Datasets:
Add 300 K MPIPI-Recharged trajectories (Fungi), files 6001-6600 of 20564
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- .gitattributes +300 -0
- Fungi/A0A2H3BCJ0/A0A2H3BCJ0.dcd +3 -0
- Fungi/A0A2H3BCJ0/top.pdb +179 -0
- Fungi/A0A2I1FG38/A0A2I1FG38.dcd +3 -0
- Fungi/A0A2I1FG38/top.pdb +114 -0
- Fungi/A0A2I1G446/A0A2I1G446.dcd +3 -0
- Fungi/A0A2I1G446/top.pdb +148 -0
- Fungi/A0A2I2FBZ9/A0A2I2FBZ9.dcd +3 -0
- Fungi/A0A2I2FBZ9/top.pdb +67 -0
- Fungi/A0A2I2GCX0/A0A2I2GCX0.dcd +3 -0
- Fungi/A0A2I2GCX0/top.pdb +207 -0
- Fungi/A0A2J5HCX2/A0A2J5HCX2.dcd +3 -0
- Fungi/A0A2J5HCX2/top.pdb +80 -0
- Fungi/A0A2J6TCL4/A0A2J6TCL4.dcd +3 -0
- Fungi/A0A2J6TCL4/top.pdb +80 -0
- Fungi/A0A2J6TSM4/A0A2J6TSM4.dcd +3 -0
- Fungi/A0A2J6TSM4/top.pdb +84 -0
- Fungi/A0A2K0UK09/A0A2K0UK09.dcd +3 -0
- Fungi/A0A2K0UK09/top.pdb +81 -0
- Fungi/A0A2K0UNZ6/A0A2K0UNZ6.dcd +3 -0
- Fungi/A0A2K0UNZ6/top.pdb +40 -0
- Fungi/A0A2K3QD25/A0A2K3QD25.dcd +3 -0
- Fungi/A0A2K3QD25/top.pdb +194 -0
- Fungi/A0A2N0QNY4/A0A2N0QNY4.dcd +3 -0
- Fungi/A0A2N0QNY4/top.pdb +103 -0
- Fungi/A0A2N1NH47/A0A2N1NH47.dcd +3 -0
- Fungi/A0A2N1NH47/top.pdb +99 -0
- Fungi/A0A2N5SHY9/A0A2N5SHY9.dcd +3 -0
- Fungi/A0A2N5SHY9/top.pdb +82 -0
- Fungi/A0A2N5TNH6/A0A2N5TNH6.dcd +3 -0
- Fungi/A0A2N5TNH6/top.pdb +138 -0
- Fungi/A0A2N5V4U3/A0A2N5V4U3.dcd +3 -0
- Fungi/A0A2N5V4U3/top.pdb +104 -0
- Fungi/A0A2N5VM07/A0A2N5VM07.dcd +3 -0
- Fungi/A0A2N5VM07/top.pdb +140 -0
- Fungi/A0A2P5I2C2/A0A2P5I2C2.dcd +3 -0
- Fungi/A0A2P5I2C2/top.pdb +80 -0
- Fungi/A0A2P5IC55/A0A2P5IC55.dcd +3 -0
- Fungi/A0A2P5IC55/top.pdb +165 -0
- Fungi/A0A2R6NK12/A0A2R6NK12.dcd +3 -0
- Fungi/A0A2R6NK12/top.pdb +222 -0
- Fungi/A0A2R6PG11/A0A2R6PG11.dcd +3 -0
- Fungi/A0A2R6PG11/top.pdb +179 -0
- Fungi/A0A2S4PHZ3/A0A2S4PHZ3.dcd +3 -0
- Fungi/A0A2S4PHZ3/top.pdb +210 -0
- Fungi/A0A2S4UKZ0/A0A2S4UKZ0.dcd +3 -0
- Fungi/A0A2S4UKZ0/top.pdb +124 -0
- Fungi/A0A2T3AXV3/A0A2T3AXV3.dcd +3 -0
- Fungi/A0A2T3AXV3/top.pdb +123 -0
- Fungi/A0A2T3ZNM9/A0A2T3ZNM9.dcd +3 -0
.gitattributes
CHANGED
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@@ -3058,3 +3058,303 @@ Fungi/A0A2C5Z528/A0A2C5Z528.dcd filter=lfs diff=lfs merge=lfs -text
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Fungi/A0A2C5ZD59/A0A2C5ZD59.dcd filter=lfs diff=lfs merge=lfs -text
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Fungi/A0A2H1FLI0/A0A2H1FLI0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3060 |
Fungi/A0A2H3A7H4/A0A2H3A7H4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3058 |
Fungi/A0A2C5ZD59/A0A2C5ZD59.dcd filter=lfs diff=lfs merge=lfs -text
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| 3059 |
Fungi/A0A2H1FLI0/A0A2H1FLI0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3060 |
Fungi/A0A2H3A7H4/A0A2H3A7H4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3061 |
+
Fungi/A0A2H3BCJ0/A0A2H3BCJ0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3062 |
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Fungi/A0A2I1FG38/A0A2I1FG38.dcd filter=lfs diff=lfs merge=lfs -text
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| 3063 |
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Fungi/A0A2I1G446/A0A2I1G446.dcd filter=lfs diff=lfs merge=lfs -text
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| 3064 |
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Fungi/A0A2I2FBZ9/A0A2I2FBZ9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3065 |
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Fungi/A0A2I2GCX0/A0A2I2GCX0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3066 |
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Fungi/A0A2J5HCX2/A0A2J5HCX2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3067 |
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Fungi/A0A2J6TCL4/A0A2J6TCL4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3068 |
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Fungi/A0A2J6TSM4/A0A2J6TSM4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3069 |
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Fungi/A0A2K0UK09/A0A2K0UK09.dcd filter=lfs diff=lfs merge=lfs -text
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| 3070 |
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Fungi/A0A2K0UNZ6/A0A2K0UNZ6.dcd filter=lfs diff=lfs merge=lfs -text
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| 3071 |
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Fungi/A0A2K3QD25/A0A2K3QD25.dcd filter=lfs diff=lfs merge=lfs -text
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| 3072 |
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Fungi/A0A2N0QNY4/A0A2N0QNY4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3073 |
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Fungi/A0A2N1NH47/A0A2N1NH47.dcd filter=lfs diff=lfs merge=lfs -text
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| 3074 |
+
Fungi/A0A2N5SHY9/A0A2N5SHY9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3075 |
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Fungi/A0A2N5TNH6/A0A2N5TNH6.dcd filter=lfs diff=lfs merge=lfs -text
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| 3076 |
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Fungi/A0A2N5V4U3/A0A2N5V4U3.dcd filter=lfs diff=lfs merge=lfs -text
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| 3077 |
+
Fungi/A0A2N5VM07/A0A2N5VM07.dcd filter=lfs diff=lfs merge=lfs -text
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| 3078 |
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Fungi/A0A2P5I2C2/A0A2P5I2C2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3079 |
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Fungi/A0A2P5IC55/A0A2P5IC55.dcd filter=lfs diff=lfs merge=lfs -text
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| 3080 |
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Fungi/A0A2R6NK12/A0A2R6NK12.dcd filter=lfs diff=lfs merge=lfs -text
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| 3081 |
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Fungi/A0A2R6PG11/A0A2R6PG11.dcd filter=lfs diff=lfs merge=lfs -text
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| 3082 |
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Fungi/A0A2S4PHZ3/A0A2S4PHZ3.dcd filter=lfs diff=lfs merge=lfs -text
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| 3083 |
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Fungi/A0A2S4UKZ0/A0A2S4UKZ0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3084 |
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Fungi/A0A2T3AXV3/A0A2T3AXV3.dcd filter=lfs diff=lfs merge=lfs -text
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| 3085 |
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Fungi/A0A2T3ZNM9/A0A2T3ZNM9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3086 |
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Fungi/A0A2T4AQ39/A0A2T4AQ39.dcd filter=lfs diff=lfs merge=lfs -text
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| 3087 |
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Fungi/A0A2T4H4M2/A0A2T4H4M2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3088 |
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Fungi/A0A2U3DNU9/A0A2U3DNU9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3089 |
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Fungi/A0A2V1E1I8/A0A2V1E1I8.dcd filter=lfs diff=lfs merge=lfs -text
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| 3090 |
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Fungi/A0A2V5H4S2/A0A2V5H4S2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3091 |
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Fungi/A0A2V5IKU5/A0A2V5IKU5.dcd filter=lfs diff=lfs merge=lfs -text
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| 3092 |
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Fungi/A0A2W1D067/A0A2W1D067.dcd filter=lfs diff=lfs merge=lfs -text
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| 3093 |
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Fungi/A0A2X0LCA2/A0A2X0LCA2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3094 |
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Fungi/A0A2X0LU11/A0A2X0LU11.dcd filter=lfs diff=lfs merge=lfs -text
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| 3095 |
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Fungi/A0A2Z5W7X6/A0A2Z5W7X6.dcd filter=lfs diff=lfs merge=lfs -text
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| 3096 |
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Fungi/A0A316ZSE5/A0A316ZSE5.dcd filter=lfs diff=lfs merge=lfs -text
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| 3097 |
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Fungi/A0A317A8G9/A0A317A8G9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3098 |
+
Fungi/A0A319DXM1/A0A319DXM1.dcd filter=lfs diff=lfs merge=lfs -text
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| 3099 |
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Fungi/A0A319ESZ0/A0A319ESZ0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3100 |
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Fungi/A0A364NFD4/A0A364NFD4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3101 |
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Fungi/A0A367L139/A0A367L139.dcd filter=lfs diff=lfs merge=lfs -text
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| 3102 |
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Fungi/A0A370Q1P9/A0A370Q1P9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3103 |
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Fungi/A0A371CUA7/A0A371CUA7.dcd filter=lfs diff=lfs merge=lfs -text
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| 3104 |
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Fungi/A0A371DWP2/A0A371DWP2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3105 |
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Fungi/A0A371DXC4/A0A371DXC4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3106 |
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Fungi/A0A381L2C1/A0A381L2C1.dcd filter=lfs diff=lfs merge=lfs -text
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| 3107 |
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Fungi/A0A384J400/A0A384J400.dcd filter=lfs diff=lfs merge=lfs -text
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| 3108 |
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Fungi/A0A397GH67/A0A397GH67.dcd filter=lfs diff=lfs merge=lfs -text
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| 3109 |
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Fungi/A0A397GPU9/A0A397GPU9.dcd filter=lfs diff=lfs merge=lfs -text
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| 3110 |
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Fungi/A0A397J3Y2/A0A397J3Y2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3111 |
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Fungi/A0A397UK65/A0A397UK65.dcd filter=lfs diff=lfs merge=lfs -text
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| 3112 |
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Fungi/A0A3A2YZS2/A0A3A2YZS2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3113 |
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Fungi/A0A3D8S9Y3/A0A3D8S9Y3.dcd filter=lfs diff=lfs merge=lfs -text
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| 3114 |
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Fungi/A0A3M2S551/A0A3M2S551.dcd filter=lfs diff=lfs merge=lfs -text
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| 3115 |
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Fungi/A0A3M6X306/A0A3M6X306.dcd filter=lfs diff=lfs merge=lfs -text
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| 3116 |
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Fungi/A0A3M6Y748/A0A3M6Y748.dcd filter=lfs diff=lfs merge=lfs -text
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| 3117 |
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Fungi/A0A3M7ABJ8/A0A3M7ABJ8.dcd filter=lfs diff=lfs merge=lfs -text
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| 3118 |
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Fungi/A0A3M7B377/A0A3M7B377.dcd filter=lfs diff=lfs merge=lfs -text
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| 3119 |
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Fungi/A0A3M7DED1/A0A3M7DED1.dcd filter=lfs diff=lfs merge=lfs -text
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| 3120 |
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Fungi/A0A3M7DIG3/A0A3M7DIG3.dcd filter=lfs diff=lfs merge=lfs -text
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| 3121 |
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Fungi/A0A3M7F646/A0A3M7F646.dcd filter=lfs diff=lfs merge=lfs -text
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| 3122 |
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Fungi/A0A3M7MC50/A0A3M7MC50.dcd filter=lfs diff=lfs merge=lfs -text
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| 3123 |
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Fungi/A0A3M9Y0D0/A0A3M9Y0D0.dcd filter=lfs diff=lfs merge=lfs -text
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| 3124 |
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Fungi/A0A3N4HE49/A0A3N4HE49.dcd filter=lfs diff=lfs merge=lfs -text
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| 3125 |
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Fungi/A0A3N4J4D4/A0A3N4J4D4.dcd filter=lfs diff=lfs merge=lfs -text
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| 3126 |
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Fungi/A0A3N4JNB5/A0A3N4JNB5.dcd filter=lfs diff=lfs merge=lfs -text
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| 3127 |
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Fungi/A0A3N4JQK2/A0A3N4JQK2.dcd filter=lfs diff=lfs merge=lfs -text
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| 3128 |
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Fungi/A0A3N4LC30/A0A3N4LC30.dcd filter=lfs diff=lfs merge=lfs -text
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| 3281 |
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Fungi/A0A9N9HZF3/A0A9N9HZF3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3282 |
+
Fungi/A0A9N9IT77/A0A9N9IT77.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3283 |
+
Fungi/A0A9N9JFA7/A0A9N9JFA7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3284 |
+
Fungi/A0A9N9KFC0/A0A9N9KFC0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3285 |
+
Fungi/A0A9N9NY73/A0A9N9NY73.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3286 |
+
Fungi/A0A9N9PJS9/A0A9N9PJS9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3287 |
+
Fungi/A0A9N9ZPM3/A0A9N9ZPM3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3288 |
+
Fungi/A0A9P3H5T4/A0A9P3H5T4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3289 |
+
Fungi/A0A9P4GQU4/A0A9P4GQU4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3290 |
+
Fungi/A0A9P4GUG5/A0A9P4GUG5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3291 |
+
Fungi/A0A9P4LUX0/A0A9P4LUX0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3292 |
+
Fungi/A0A9P4LXH8/A0A9P4LXH8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3293 |
+
Fungi/A0A9P4N491/A0A9P4N491.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3294 |
+
Fungi/A0A9P4PDX3/A0A9P4PDX3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3295 |
+
Fungi/A0A9P4SD42/A0A9P4SD42.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3296 |
+
Fungi/A0A9P4SIE6/A0A9P4SIE6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3297 |
+
Fungi/A0A9P4VNQ9/A0A9P4VNQ9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3298 |
+
Fungi/A0A9P4X5C2/A0A9P4X5C2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3299 |
+
Fungi/A0A9P4X6N6/A0A9P4X6N6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3300 |
+
Fungi/A0A9P4XJC1/A0A9P4XJC1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3301 |
+
Fungi/A0A9P4YCB6/A0A9P4YCB6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3302 |
+
Fungi/A0A9P5BZN5/A0A9P5BZN5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3303 |
+
Fungi/A0A9P5F2C1/A0A9P5F2C1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3304 |
+
Fungi/A0A9P5GIB5/A0A9P5GIB5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3305 |
+
Fungi/A0A9P5GMR7/A0A9P5GMR7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3306 |
+
Fungi/A0A9P5GYU3/A0A9P5GYU3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3307 |
+
Fungi/A0A9P5IUM0/A0A9P5IUM0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3308 |
+
Fungi/A0A9P5UD22/A0A9P5UD22.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3309 |
+
Fungi/A0A9P6IVK6/A0A9P6IVK6.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3310 |
+
Fungi/A0A9P6KDJ8/A0A9P6KDJ8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3311 |
+
Fungi/A0A9P6KPS4/A0A9P6KPS4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3312 |
+
Fungi/A0A9P6M1I2/A0A9P6M1I2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3313 |
+
Fungi/A0A9P6MXY7/A0A9P6MXY7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3314 |
+
Fungi/A0A9P6QK36/A0A9P6QK36.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3315 |
+
Fungi/A0A9P6R1U5/A0A9P6R1U5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3316 |
+
Fungi/A0A9P6SVR1/A0A9P6SVR1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3317 |
+
Fungi/A0A9P6WA20/A0A9P6WA20.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3318 |
+
Fungi/A0A9P6XL98/A0A9P6XL98.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3319 |
+
Fungi/A0A9P7BXV2/A0A9P7BXV2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3320 |
+
Fungi/A0A9P7BYR1/A0A9P7BYR1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3321 |
+
Fungi/A0A9P7C2J5/A0A9P7C2J5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3322 |
+
Fungi/A0A9P7EI77/A0A9P7EI77.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3323 |
+
Fungi/A0A9P7G3R3/A0A9P7G3R3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3324 |
+
Fungi/A0A9P7K724/A0A9P7K724.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3325 |
+
Fungi/A0A9P7KBX4/A0A9P7KBX4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3326 |
+
Fungi/A0A9P7KI91/A0A9P7KI91.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3327 |
+
Fungi/A0A9P7QYI3/A0A9P7QYI3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3328 |
+
Fungi/A0A9P7RYP0/A0A9P7RYP0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3329 |
+
Fungi/A0A9P7SBT7/A0A9P7SBT7.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3330 |
+
Fungi/A0A9P8E7X1/A0A9P8E7X1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3331 |
+
Fungi/A0A9P8F0P8/A0A9P8F0P8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3332 |
+
Fungi/A0A9P8J8A0/A0A9P8J8A0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3333 |
+
Fungi/A0A9P8M7E0/A0A9P8M7E0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3334 |
+
Fungi/A0A9P8QDE4/A0A9P8QDE4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3335 |
+
Fungi/A0A9P8UT79/A0A9P8UT79.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3336 |
+
Fungi/A0A9P9GYB4/A0A9P9GYB4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3337 |
+
Fungi/A0A9P9KQJ5/A0A9P9KQJ5.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3338 |
+
Fungi/A0A9Q3BFP3/A0A9Q3BFP3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3339 |
+
Fungi/A0A9Q3BHU2/A0A9Q3BHU2.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3340 |
+
Fungi/A0A9Q3BXB4/A0A9Q3BXB4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3341 |
+
Fungi/A0A9Q3C5I1/A0A9Q3C5I1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3342 |
+
Fungi/A0A9Q3D4Z1/A0A9Q3D4Z1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3343 |
+
Fungi/A0A9Q3DHK3/A0A9Q3DHK3.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3344 |
+
Fungi/A0A9Q3DHK9/A0A9Q3DHK9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3345 |
+
Fungi/A0A9Q3DNK9/A0A9Q3DNK9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3346 |
+
Fungi/A0A9Q3E2M0/A0A9Q3E2M0.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3347 |
+
Fungi/A0A9Q3E3F4/A0A9Q3E3F4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3348 |
+
Fungi/A0A9Q3EV12/A0A9Q3EV12.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3349 |
+
Fungi/A0A9Q3EWC4/A0A9Q3EWC4.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3350 |
+
Fungi/A0A9Q3F144/A0A9Q3F144.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3351 |
+
Fungi/A0A9Q3F3T9/A0A9Q3F3T9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3352 |
+
Fungi/A0A9Q3FD01/A0A9Q3FD01.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3353 |
+
Fungi/A0A9Q3FSG9/A0A9Q3FSG9.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3354 |
+
Fungi/A0A9Q3GM62/A0A9Q3GM62.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3355 |
+
Fungi/A0A9Q3HEQ1/A0A9Q3HEQ1.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3356 |
+
Fungi/A0A9Q3HJY8/A0A9Q3HJY8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3357 |
+
Fungi/A0A9Q3I898/A0A9Q3I898.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3358 |
+
Fungi/A0A9Q3K4C8/A0A9Q3K4C8.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3359 |
+
Fungi/A0A9Q3KA89/A0A9Q3KA89.dcd filter=lfs diff=lfs merge=lfs -text
|
| 3360 |
+
Fungi/A0A9Q3L6M0/A0A9Q3L6M0.dcd filter=lfs diff=lfs merge=lfs -text
|
Fungi/A0A2H3BCJ0/A0A2H3BCJ0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:8a6f89794787a5cbceca301e1fe32ee5f509a958f0631566f0cac3b1e0569d0f
|
| 3 |
+
size 21800276
|
Fungi/A0A2H3BCJ0/top.pdb
ADDED
|
@@ -0,0 +1,179 @@
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 252.377 192.477 269.283 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 254.140 189.186 268.527 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 257.810 188.161 268.494 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 261.236 186.518 268.766 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA THR A 5 262.978 183.173 269.310 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 262.633 180.737 272.219 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 261.832 178.620 275.284 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 262.522 179.722 278.865 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 262.820 183.290 280.166 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 264.599 186.528 281.100 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 263.074 189.833 279.974 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 265.018 193.106 279.813 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASP A 13 266.487 196.602 280.180 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ASP A 14 264.225 199.203 278.559 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 261.053 199.982 276.596 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 259.255 203.289 277.185 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA HIS A 17 256.879 206.259 277.401 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 258.091 209.496 279.004 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 257.781 210.624 282.630 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 255.846 209.716 285.784 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA HIS A 21 255.112 210.532 289.432 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 253.237 211.838 292.481 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ASP A 23 250.221 214.027 291.688 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 249.281 216.416 288.873 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 249.133 217.086 285.125 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASP A 26 249.102 218.622 281.638 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 251.366 219.416 278.679 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 252.644 217.040 275.988 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 253.579 214.354 273.453 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 257.210 213.266 273.064 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 259.537 210.982 271.094 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 263.073 209.803 270.305 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 265.950 212.204 269.616 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 264.572 215.706 269.023 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 262.677 216.309 265.773 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA HIS A 36 261.192 218.410 262.963 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 263.195 218.298 259.724 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 261.009 216.299 257.328 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 257.411 217.324 256.604 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 253.821 218.224 255.701 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 252.845 220.601 252.887 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 253.602 221.711 249.322 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 255.772 223.362 246.661 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 257.965 220.963 244.672 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ASN A 45 259.092 217.910 242.691 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 257.436 217.119 239.353 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 258.461 215.855 235.908 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 260.478 218.126 233.608 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 260.240 219.736 230.163 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 257.490 222.360 229.909 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 258.753 225.660 231.335 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA TYR A 52 258.118 226.674 234.953 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PHE A 53 256.842 226.595 238.542 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA SER A 54 257.046 229.246 241.271 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 255.540 232.263 243.044 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA PRO A 56 252.598 232.491 245.454 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 250.474 235.642 245.721 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 251.617 239.033 247.029 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 252.897 238.378 250.558 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA PRO A 60 252.948 235.950 253.493 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA HIS A 61 252.436 232.321 254.536 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 253.407 231.432 258.111 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ASN A 63 255.684 232.932 260.773 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PHE A 64 256.883 236.151 262.422 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ASP A 65 259.339 236.856 265.248 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLU A 66 257.365 237.131 268.495 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLN A 67 256.760 237.290 272.253 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 254.202 238.523 274.793 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 255.539 241.290 277.046 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ILE A 70 258.125 241.950 279.765 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLU A 71 261.517 243.668 280.006 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ASP A 72 263.216 245.608 277.202 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ILE A 73 262.440 247.242 273.849 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ARG A 74 262.665 250.978 274.558 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 264.257 254.054 276.147 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 266.475 255.402 278.936 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ALA A 77 270.276 255.661 278.899 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ALA A 78 271.386 255.525 275.257 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA VAL A 79 275.036 254.632 274.624 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ASP A 80 276.851 257.810 273.564 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLN A 81 274.955 261.042 274.253 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA SER A 82 275.536 264.592 275.510 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA TRP A 83 272.385 266.714 275.222 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA THR A 84 269.106 264.810 274.845 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA PHE A 85 269.421 262.505 271.828 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA THR A 86 267.000 263.947 269.264 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 264.048 266.140 268.267 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA PRO A 88 263.780 269.839 267.397 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 266.220 270.393 264.524 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA THR A 90 265.218 269.324 261.007 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLU A 91 262.651 266.942 259.507 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ALA A 92 259.201 267.015 257.892 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA SER A 93 255.891 266.023 256.287 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA PRO A 94 254.774 267.102 252.808 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA SER A 95 255.438 265.138 249.611 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA PRO A 96 253.721 266.873 246.685 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA VAL A 97 249.986 267.586 246.927 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA LEU A 98 247.529 264.675 246.950 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ALA A 99 245.401 261.711 245.852 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA PRO A 100 245.413 257.993 245.024 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA MET A 101 247.314 256.382 247.906 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLN A 102 251.008 255.448 247.941 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 253.149 256.323 244.913 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA SER A 104 251.074 255.645 241.791 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA HIS A 105 252.952 254.664 238.625 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA LEU A 106 256.573 254.062 237.602 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLU A 107 259.984 255.134 236.288 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA SER A 108 260.635 258.302 234.273 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA LEU A 109 262.944 259.300 231.412 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LEU A 110 265.717 259.388 228.800 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA THR A 111 264.707 258.958 225.152 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLU A 112 261.312 260.564 224.512 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA THR A 113 257.799 261.777 225.351 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLU A 114 255.137 262.865 227.851 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ARG A 115 252.506 264.757 225.848 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA SER A 116 249.764 267.015 227.228 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ASP A 117 251.077 269.935 229.293 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ASP A 118 250.665 270.064 233.078 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLN A 119 247.449 268.578 234.481 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA THR A 120 244.225 268.928 232.481 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLN A 121 241.566 270.737 234.523 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA GLY A 122 239.857 273.826 235.956 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA THR A 123 239.014 275.934 232.897 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLU A 124 236.452 276.219 230.092 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA TYR A 125 234.776 278.754 227.794 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ALA A 126 233.745 280.916 224.830 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA ALA A 127 234.444 279.818 221.249 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 238.120 279.258 220.419 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA THR A 129 241.163 281.499 220.907 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA LYS A 130 241.249 284.866 222.689 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA THR A 131 238.935 287.642 221.481 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA LYS A 132 240.193 291.176 220.818 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA PRO A 133 240.377 294.813 221.939 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA PRO A 134 237.660 297.218 223.100 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ARG A 135 236.505 299.950 225.492 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA SER A 136 233.520 302.282 225.088 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA SER A 137 230.565 304.499 224.157 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA GLU A 138 229.847 306.829 221.229 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ASN A 139 230.654 304.914 218.035 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA TYR A 140 234.091 303.326 217.602 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ILE A 141 235.233 299.723 217.126 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA SER A 142 235.939 295.985 216.902 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA HIS A 143 234.225 292.787 218.062 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA TYR A 144 232.281 289.925 216.465 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA MET A 145 231.707 286.463 217.949 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA PRO A 146 229.561 283.567 219.184 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA SER A 147 225.913 284.576 219.622 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA PRO A 148 223.745 281.532 218.878 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA SER A 149 225.632 278.363 217.920 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA ASN A 150 228.497 275.940 217.258 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA LYS A 151 231.568 273.772 217.876 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA GLY A 152 233.897 270.995 219.052 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA THR A 153 235.011 267.398 219.632 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA VAL A 154 234.371 265.683 222.973 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA ASP A 155 231.288 265.593 225.210 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA GLU A 156 229.558 268.962 225.626 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA PRO A 157 228.804 272.622 224.880 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ARG A 158 227.692 275.779 226.700 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA LEU A 159 228.103 276.874 230.326 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA PRO A 160 227.943 279.371 233.200 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA TRP A 161 224.803 281.509 233.493 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA GLN A 162 222.482 282.089 236.459 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA ARG A 163 222.322 285.132 238.745 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA GLN A 164 222.090 288.627 240.245 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA HIS A 165 225.277 290.706 240.438 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA GLN A 166 228.497 291.337 242.374 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA LEU A 167 228.438 290.316 246.045 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA ARG A 168 226.937 292.847 248.466 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA ASN A 169 225.412 290.901 251.364 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA GLU A 170 224.035 287.681 249.863 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA ILE A 171 224.273 284.404 247.934 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA GLY A 172 225.942 280.983 248.103 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA GLN A 173 228.163 279.556 250.849 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA LEU A 174 231.372 279.164 252.865 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA THR A 175 234.540 277.104 252.382 1.00 0.00 C
|
| 178 |
+
TER 176 THR A 175
|
| 179 |
+
END
|
Fungi/A0A2I1FG38/A0A2I1FG38.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b34d45d30de740ad935734f5ffb447af7501d4264ad1d83525bf8330e5124733
|
| 3 |
+
size 14000276
|
Fungi/A0A2I1FG38/top.pdb
ADDED
|
@@ -0,0 +1,114 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA SER A 1 226.551 240.668 225.053 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 226.532 237.487 222.956 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 223.600 235.257 223.932 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 223.454 234.850 227.717 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 227.033 234.295 228.901 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA PHE A 6 229.895 231.930 229.756 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ALA A 7 231.324 228.564 230.826 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 230.890 227.911 234.554 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 231.313 230.567 237.253 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 230.850 229.244 240.796 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASN A 11 228.483 231.451 242.807 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 224.839 232.260 242.044 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 222.350 231.538 239.251 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 221.839 227.800 238.715 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 220.520 225.167 236.298 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASN A 16 217.114 224.380 234.782 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 213.447 225.414 234.837 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 212.297 228.010 232.297 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA VAL A 19 212.881 228.549 228.571 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 215.410 230.856 226.899 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 216.121 234.494 226.019 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA HIS A 22 215.759 237.702 228.043 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ILE A 23 218.276 240.107 226.496 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 217.307 241.272 223.000 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 216.847 240.097 219.406 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 215.640 241.262 215.985 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA SER A 27 215.393 239.647 212.543 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 218.676 240.542 210.829 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 222.391 239.806 211.237 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASN A 30 223.458 238.261 214.552 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA THR A 31 225.252 240.333 217.200 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 227.789 242.168 219.370 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 230.471 244.266 217.662 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ILE A 34 233.548 246.016 216.251 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 236.273 248.609 215.644 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASN A 36 236.622 252.328 216.392 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 240.034 252.927 217.980 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA TYR A 38 242.791 255.243 219.224 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 246.110 255.071 221.089 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLU A 40 247.348 257.260 223.951 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 246.509 260.821 225.014 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 245.618 263.131 227.910 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASP A 43 247.857 264.382 230.727 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 250.272 265.935 233.231 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ASP A 45 253.896 264.768 233.098 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 257.101 266.827 233.059 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASP A 47 257.007 269.544 235.728 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 259.951 270.999 237.660 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 261.462 272.905 240.593 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 259.571 275.692 242.373 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 260.238 279.441 242.249 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA VAL A 52 262.252 281.077 245.039 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLY A 53 263.228 282.704 248.343 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 260.891 284.493 250.763 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASN A 55 257.359 283.162 250.246 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLN A 56 254.974 286.108 250.633 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 256.794 288.612 252.855 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PRO A 58 260.030 289.072 254.814 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ILE A 59 260.261 289.208 258.614 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASP A 60 260.304 286.458 261.250 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LEU A 61 261.758 287.839 264.489 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA VAL A 62 264.927 286.366 266.006 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA MET A 63 268.142 284.845 264.640 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ILE A 64 267.774 281.127 263.894 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ASP A 65 266.095 278.570 261.623 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ASP A 66 267.341 275.059 262.424 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ASN A 67 264.710 273.071 264.332 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 262.507 271.213 266.825 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 264.473 268.942 269.169 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ILE A 70 266.707 267.608 271.951 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASN A 71 268.701 264.454 272.724 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ALA A 72 271.072 262.883 270.189 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ASN A 73 273.953 261.357 268.217 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA LYS A 74 273.666 257.797 266.891 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA THR A 75 275.041 255.012 269.098 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA LYS A 76 273.630 251.501 269.544 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LYS A 77 273.878 248.756 272.174 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 271.525 245.782 272.546 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLN A 79 270.360 243.133 270.068 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA LEU A 80 273.017 240.964 268.410 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA SER A 81 273.537 237.252 269.095 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ASP A 82 271.623 234.669 267.051 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA LEU A 83 269.784 232.622 264.415 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA CYS A 84 270.101 233.084 260.647 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA ASP A 85 273.672 233.517 259.391 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLY A 86 275.500 236.346 257.610 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLU A 87 273.061 238.471 255.597 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ILE A 88 269.810 237.487 253.871 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ASP A 89 267.118 235.643 255.838 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLN A 90 263.845 236.797 257.409 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PRO A 91 262.110 238.433 260.381 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ILE A 92 261.214 238.805 264.065 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA LYS A 93 262.013 238.820 267.790 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA PRO A 94 261.413 241.210 270.697 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA LYS A 95 263.464 244.270 271.668 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 262.861 246.208 274.892 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA SER A 97 259.724 245.316 276.862 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA TYR A 98 258.698 244.569 280.455 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ASN A 99 258.418 243.935 284.201 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LYS A 100 259.847 243.567 287.714 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA LYS A 101 257.742 241.794 290.348 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLY A 102 259.067 238.280 290.992 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLY A 103 260.707 235.321 292.743 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ARG A 104 263.030 233.108 290.689 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLY A 105 266.813 233.208 290.243 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLY A 106 269.141 235.280 292.435 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 271.266 238.338 293.241 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLY A 108 270.115 241.330 291.182 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA LYS A 109 268.225 243.611 293.578 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA LYS A 110 264.501 243.480 294.373 1.00 0.00 C
|
| 113 |
+
TER 111 LYS A 110
|
| 114 |
+
END
|
Fungi/A0A2I1G446/A0A2I1G446.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:02efeafcd0056c41c548ea94af88557bff8c1aeb69d9df2ab164a2f88f88da5a
|
| 3 |
+
size 18080276
|
Fungi/A0A2I1G446/top.pdb
ADDED
|
@@ -0,0 +1,148 @@
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 236.802 221.922 151.416 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 236.272 218.433 149.981 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ILE A 3 239.081 216.105 151.078 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA HIS A 4 240.974 216.909 154.286 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PRO A 5 242.554 219.335 156.763 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLU A 6 245.888 219.807 158.546 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 246.814 221.021 162.037 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LEU A 8 244.583 223.539 163.824 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 242.498 226.498 162.635 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 241.966 230.007 164.020 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLU A 11 242.597 232.913 166.402 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA VAL A 12 240.664 235.369 168.581 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 239.190 234.715 172.033 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PRO A 14 239.185 237.900 174.124 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA VAL A 15 239.164 240.896 176.477 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 236.455 242.740 178.420 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 236.353 243.906 182.045 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLU A 18 233.698 242.724 184.509 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 230.541 240.648 184.019 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 228.758 238.339 186.470 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASN A 21 227.399 234.847 187.158 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 224.491 235.268 189.583 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LEU A 23 224.147 232.093 191.662 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 223.674 230.023 194.825 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA THR A 25 220.377 229.498 196.662 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLN A 26 217.275 229.237 198.858 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 216.247 232.148 201.091 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA VAL A 28 214.801 235.423 202.395 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 217.266 237.835 204.013 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 215.707 241.308 204.188 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LEU A 31 217.687 244.491 204.866 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LYS A 32 219.890 247.194 206.402 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LEU A 33 223.358 246.149 207.585 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 225.368 243.867 205.289 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 228.987 243.270 206.321 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASP A 36 232.236 244.169 208.096 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 234.377 246.739 209.920 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 236.898 248.999 211.667 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 237.553 247.842 215.237 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLN A 40 239.780 246.157 217.829 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 242.549 245.622 220.391 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 244.183 247.244 223.427 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLY A 43 245.885 250.528 222.515 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ARG A 44 247.246 250.327 218.962 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LYS A 45 250.655 251.958 218.476 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA VAL A 46 250.602 255.370 220.171 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 252.014 258.668 221.454 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA TRP A 48 254.086 261.349 223.196 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASP A 49 256.822 261.462 225.845 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 259.788 261.725 228.222 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA THR A 51 261.060 258.395 229.565 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA VAL A 52 263.376 255.501 230.447 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA VAL A 53 264.152 253.226 227.491 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASP A 54 265.656 249.753 227.060 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ASN A 55 265.765 246.238 228.527 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 262.326 244.634 228.869 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 258.662 244.657 227.824 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LEU A 58 256.008 242.868 229.891 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 254.137 244.599 232.723 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 254.956 243.760 236.348 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 257.209 240.852 237.340 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA LYS A 62 257.362 237.584 235.387 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 260.939 236.756 234.369 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA LYS A 64 263.043 239.877 233.783 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ILE A 65 263.317 242.891 236.097 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA CYS A 66 265.191 245.869 234.635 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA CYS A 67 264.480 249.189 236.365 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ILE A 68 264.028 252.511 238.175 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA TYR A 69 260.859 254.606 238.460 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA HIS A 70 258.390 257.505 238.332 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LYS A 71 258.062 261.165 239.341 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 260.049 264.414 239.431 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ARG A 73 258.453 267.807 238.754 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 260.445 270.347 240.779 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA PHE A 75 261.194 270.670 244.501 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 260.694 270.579 248.277 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLU A 77 263.987 271.422 249.996 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA SER A 78 266.336 268.454 249.559 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA SER A 79 268.812 265.591 249.993 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ASP A 80 268.423 261.967 251.102 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLU A 81 270.869 260.990 253.855 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ASP A 82 269.274 259.344 256.898 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA SER A 83 268.134 255.962 258.231 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA SER A 84 265.471 255.499 260.917 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA SER A 85 261.944 254.105 260.556 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASP A 86 260.573 250.703 261.590 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ASP A 87 257.741 250.531 264.132 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 256.242 253.723 265.573 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ASP A 89 257.417 256.823 263.696 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ASP A 90 257.606 260.273 262.090 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA SER A 91 254.653 262.308 263.377 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ASP A 92 250.908 262.298 264.078 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA HIS A 93 249.750 261.146 267.521 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 251.724 261.688 270.734 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA HIS A 95 255.382 262.196 269.796 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASP A 96 257.721 264.629 271.565 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA HIS A 97 260.651 267.018 272.040 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ASP A 98 263.117 267.392 274.920 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA HIS A 99 261.718 268.289 278.349 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA LYS A 100 259.094 266.211 280.169 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ASN A 101 257.284 263.193 281.628 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLY A 102 255.239 263.047 284.839 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA HIS A 103 253.323 264.774 287.643 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA HIS A 104 249.981 264.190 289.377 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA PRO A 105 248.189 263.503 292.668 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ASP A 106 250.290 261.265 294.925 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA LYS A 107 253.573 259.644 295.979 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA CYS A 108 255.863 257.190 297.782 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA TYR A 109 256.137 253.687 299.255 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ARG A 110 253.706 250.983 298.116 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ASN A 111 249.996 250.161 297.846 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA THR A 112 247.673 247.328 298.891 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA PRO A 113 247.382 245.110 301.975 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ASN A 114 250.643 243.408 302.970 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ALA A 115 253.507 245.716 303.962 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA TYR A 116 252.891 247.375 307.336 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLU A 117 249.535 248.621 308.641 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ARG A 118 247.469 250.652 311.116 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLN A 119 246.676 254.244 312.107 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA PRO A 120 248.115 255.506 315.402 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLN A 121 247.769 254.956 319.156 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA TYR A 122 251.223 255.621 320.621 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA LYS A 123 250.616 257.765 323.712 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASN A 124 251.659 261.296 322.731 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ARG A 125 250.189 264.312 324.537 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA PRO A 126 251.017 267.820 325.773 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA ARG A 127 254.786 267.785 326.328 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 257.951 266.074 327.582 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA PRO A 129 259.795 263.988 324.980 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ILE A 130 260.630 261.735 322.024 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA PRO A 131 260.418 258.116 323.196 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ASN A 132 260.431 254.751 324.984 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA PRO A 133 261.694 252.422 327.721 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA GLU A 134 264.630 250.325 328.946 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA PRO A 135 264.757 247.231 331.166 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ARG A 136 265.333 248.148 334.819 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA ASP A 137 262.724 250.117 336.776 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ASN A 138 259.455 249.436 338.611 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA PRO A 139 258.093 252.492 340.434 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA THR A 140 255.795 253.062 343.419 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA SER A 141 252.595 251.018 343.109 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA PRO A 142 249.543 251.248 345.377 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA SER A 143 250.015 254.095 347.864 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA SER A 144 248.668 257.244 346.195 1.00 0.00 C
|
| 147 |
+
TER 145 SER A 144
|
| 148 |
+
END
|
Fungi/A0A2I2FBZ9/A0A2I2FBZ9.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d49d4bf32c66cc5ca2784dc8ed225e9a3061493578e5df53cba301788c024237
|
| 3 |
+
size 8360276
|
Fungi/A0A2I2FBZ9/top.pdb
ADDED
|
@@ -0,0 +1,67 @@
|
|
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|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 251.082 257.139 245.651 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 253.389 254.834 247.621 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASN A 3 254.527 252.073 245.255 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 254.447 248.288 245.676 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ALA A 5 257.254 245.790 246.304 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ASN A 6 258.029 242.544 248.143 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 258.621 238.793 247.834 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 258.385 236.402 244.878 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASN A 9 261.221 234.017 243.989 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 262.830 231.657 246.510 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA THR A 11 264.034 230.058 249.752 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LEU A 12 267.081 227.991 250.732 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 269.696 229.848 252.788 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 271.992 232.035 250.675 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA THR A 15 272.988 235.455 252.026 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 274.819 238.175 253.967 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 276.793 240.168 251.388 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLY A 18 276.129 243.920 251.399 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASP A 19 273.162 244.836 249.191 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 269.359 244.648 249.330 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA VAL A 21 267.066 242.797 251.744 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA VAL A 22 266.900 239.909 254.224 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA VAL A 23 263.939 237.671 253.366 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 260.682 238.571 255.127 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASP A 25 257.228 236.976 255.325 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LEU A 26 255.305 237.250 258.602 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 256.265 239.395 261.601 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLY A 28 257.379 242.576 263.378 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 256.385 245.984 261.995 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASN A 30 253.194 247.764 260.916 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLY A 31 250.338 248.616 263.289 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 250.084 252.140 264.714 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 250.484 255.912 264.350 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 246.960 257.356 264.451 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 245.400 257.783 261.001 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 245.093 257.929 257.207 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA PRO A 37 245.855 256.261 253.867 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 243.837 255.221 250.807 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA VAL A 39 242.192 252.381 248.872 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA VAL A 40 239.351 254.027 246.940 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA VAL A 41 235.793 254.315 248.272 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA HIS A 42 234.687 256.473 251.210 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASN A 43 233.425 256.447 254.805 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 231.759 253.297 256.153 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 228.701 253.244 258.425 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 227.834 256.250 260.599 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 230.196 259.134 259.810 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ILE A 48 232.323 261.569 257.794 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA TYR A 49 234.270 264.458 256.251 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 235.780 266.948 253.795 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 239.502 266.143 253.674 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA THR A 52 240.502 265.771 250.017 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 240.669 266.626 246.308 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA PRO A 54 241.459 264.234 243.449 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ALA A 55 242.512 264.053 239.792 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 243.073 263.356 236.089 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA TRP A 57 240.130 263.160 233.678 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 237.985 262.515 230.595 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 235.037 260.639 229.077 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLN A 60 234.792 256.860 229.501 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 232.185 255.350 227.170 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA TRP A 62 229.802 255.366 224.197 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA LYS A 63 227.806 258.601 224.455 1.00 0.00 C
|
| 66 |
+
TER 64 LYS A 63
|
| 67 |
+
END
|
Fungi/A0A2I2GCX0/A0A2I2GCX0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9ae1d2f3e1c259aac71ca5a07c1db29bc80acc85d1c1918261aef7969a20741c
|
| 3 |
+
size 37740276
|
Fungi/A0A2I2GCX0/top.pdb
ADDED
|
@@ -0,0 +1,207 @@
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 272.011 193.751 223.949 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA PRO A 2 272.413 195.648 220.670 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 270.178 197.681 218.348 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 270.433 198.000 214.560 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ASP A 5 267.892 198.236 211.731 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ILE A 6 265.971 201.525 211.815 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA LEU A 7 264.523 202.489 208.426 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLN A 8 266.725 201.913 205.371 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 267.739 200.349 202.048 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LYS A 10 267.380 202.769 199.126 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ASP A 11 266.231 206.362 199.660 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 265.384 209.908 200.765 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ILE A 13 263.091 210.602 203.728 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 261.236 210.207 207.032 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASP A 15 261.142 213.245 209.329 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASN A 16 262.378 214.940 212.509 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 265.432 212.932 213.585 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 268.908 213.342 212.080 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 272.629 212.925 211.375 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA TYR A 20 274.563 211.156 214.139 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 275.017 212.718 217.584 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 276.914 216.000 217.961 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 275.476 219.033 216.159 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA VAL A 24 277.063 222.101 217.766 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 280.259 224.145 217.409 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 283.053 222.185 219.103 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 286.547 222.852 217.738 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA THR A 28 289.621 223.630 215.626 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LEU A 29 290.882 227.223 215.491 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 287.917 229.363 216.559 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 288.317 231.488 219.696 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 287.602 234.574 221.814 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 288.339 237.720 223.832 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASP A 34 288.223 240.330 226.606 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ILE A 35 289.644 239.907 230.116 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 292.032 239.075 232.966 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA PHE A 37 293.370 239.120 236.533 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA VAL A 38 293.828 238.039 240.157 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ARG A 39 291.908 240.267 242.579 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 291.708 242.577 245.602 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASP A 41 288.402 243.322 247.343 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA THR A 42 286.846 243.510 250.816 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA THR A 43 284.513 244.026 253.783 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 283.149 247.095 255.583 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA HIS A 45 282.527 250.264 253.561 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 284.686 249.855 250.449 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA VAL A 47 283.189 251.918 247.617 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ILE A 48 283.844 251.468 243.891 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 283.682 249.114 240.900 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA PRO A 50 281.681 246.088 242.065 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA PRO A 51 278.949 244.886 244.433 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ILE A 52 275.447 245.283 245.880 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA TYR A 53 273.057 248.202 246.411 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 272.940 251.305 248.618 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLY A 55 272.275 250.121 252.178 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ASP A 56 269.124 251.788 253.522 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 266.146 249.882 252.102 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 264.387 250.777 248.843 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA VAL A 59 261.651 253.421 248.651 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASP A 60 260.709 254.730 252.103 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLN A 61 257.012 253.891 252.483 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ARG A 62 254.820 256.712 253.809 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA HIS A 63 253.344 260.140 253.045 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ALA A 64 250.906 262.304 255.016 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 247.822 264.493 255.482 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA TYR A 66 246.919 267.593 257.504 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA LEU A 67 248.648 270.520 255.784 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ASP A 68 251.213 273.337 255.764 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 254.316 275.524 255.440 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 257.540 275.243 257.450 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 259.266 272.960 259.965 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA PRO A 72 261.761 273.112 262.841 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 262.790 269.594 263.882 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA SER A 74 262.352 266.357 265.842 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 265.548 264.324 265.436 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 265.271 260.902 263.782 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA HIS A 77 262.061 258.862 263.558 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ARG A 78 259.456 260.015 261.029 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ARG A 79 257.822 256.803 259.793 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 260.732 254.527 258.859 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA LEU A 81 259.956 250.839 259.421 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ASN A 82 261.240 249.970 262.901 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA PRO A 83 261.752 248.036 266.144 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA PHE A 84 263.383 246.471 269.211 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA SER A 85 263.700 246.878 272.986 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ARG A 86 266.476 245.902 275.406 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 269.362 244.723 277.595 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ARG A 88 269.465 244.437 281.393 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 271.383 241.308 282.417 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PRO A 90 272.871 237.882 283.168 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA SER A 91 270.338 235.038 283.046 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLU A 92 267.840 232.495 281.703 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA SER A 93 265.179 229.768 281.748 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLN A 94 261.822 228.116 282.468 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 259.282 226.880 285.025 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA SER A 96 258.796 227.168 288.793 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA SER A 97 256.170 229.366 290.463 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 255.623 233.108 290.001 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA PRO A 99 257.025 235.352 287.259 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA SER A 100 260.475 236.420 286.045 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ARG A 101 263.197 234.895 288.232 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ALA A 102 266.628 235.041 289.882 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ARG A 103 267.816 232.677 292.624 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLY A 104 270.889 231.427 294.496 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA GLU A 105 274.118 232.690 296.077 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ARG A 106 274.945 234.172 299.488 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 276.136 237.334 301.249 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA LEU A 108 275.642 240.675 299.485 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA SER A 109 273.263 240.716 296.509 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA HIS A 110 269.663 240.038 295.462 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA LEU A 111 266.042 239.419 296.472 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA LEU A 112 262.726 237.982 297.678 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA HIS A 113 259.793 236.928 295.487 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ARG A 114 256.083 237.684 295.060 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ASP A 115 256.003 240.932 293.071 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ARG A 116 254.357 242.224 289.887 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ARG A 117 254.301 246.020 290.205 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ASN A 118 252.850 249.356 289.073 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA SER A 119 255.618 251.950 288.710 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA SER A 120 257.702 252.822 285.642 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ALA A 121 256.787 255.096 282.725 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ASN A 122 253.584 255.888 280.820 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA SER A 123 253.466 257.247 277.263 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA VAL A 124 250.988 259.797 275.893 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASN A 125 247.971 258.110 274.291 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA VAL A 126 244.272 258.226 273.383 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA PRO A 127 241.896 255.411 272.410 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ALA A 128 242.145 252.614 269.835 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ASP A 129 239.536 253.321 267.149 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA LEU A 130 236.673 255.564 268.285 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA PRO A 131 237.137 259.334 267.982 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLN A 132 237.537 263.111 268.283 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ILE A 133 237.255 264.340 271.878 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA THR A 134 234.931 262.339 274.139 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ASP A 135 231.934 260.754 275.878 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ASP A 136 228.750 258.686 276.201 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA LYS A 137 225.582 260.609 275.319 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA GLY A 138 222.175 259.573 273.965 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ASN A 139 219.259 261.758 272.852 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA GLU A 140 216.847 264.701 273.050 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA GLN A 141 214.267 266.307 275.347 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ASP A 142 211.647 268.920 276.258 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA THR A 143 211.320 272.340 277.905 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA GLU A 144 210.459 276.051 277.973 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ALA A 145 213.380 277.924 276.398 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA GLN A 146 215.753 280.336 274.648 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA TRP A 147 219.002 278.810 273.370 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA GLU A 148 221.128 276.585 275.617 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA LYS A 149 221.482 273.159 273.988 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA ARG A 150 218.135 271.359 274.262 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ALA A 151 215.588 272.283 271.583 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA THR A 152 216.136 272.367 267.814 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA MET A 153 215.872 269.845 264.970 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA LEU A 154 214.487 266.614 266.439 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA VAL A 155 217.491 264.279 266.643 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA GLN A 156 219.370 263.352 263.461 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ARG A 157 217.385 261.538 260.761 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ASN A 158 215.867 258.413 262.324 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA PRO A 159 216.752 254.884 263.457 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA GLN A 160 218.002 252.576 266.219 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA PHE A 161 218.510 248.807 265.996 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA ALA A 162 216.366 246.174 264.268 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA GLY A 163 213.549 243.754 263.418 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA PRO A 164 213.184 242.285 259.921 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA LEU A 165 212.827 244.612 256.926 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA SER A 166 212.514 242.560 253.730 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA PRO A 167 211.927 243.368 250.053 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA THR A 168 209.910 242.915 246.853 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA SER A 169 211.835 244.437 243.939 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA SER A 170 210.041 246.973 241.732 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA ALA A 171 207.784 248.122 238.886 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA GLY A 172 207.340 248.136 235.102 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA PHE A 173 206.387 248.494 231.431 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA GLY A 174 207.929 247.047 228.261 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA PRO A 175 210.015 249.056 225.785 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA THR A 176 210.045 252.374 223.914 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA SER A 177 209.739 255.926 222.568 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA PRO A 178 211.475 258.621 220.510 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA MET A 179 214.598 259.998 218.817 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA SER A 180 216.856 262.046 216.531 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA ARG A 181 216.140 265.297 214.678 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA SER A 182 216.094 268.590 216.594 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA ARG A 183 215.380 271.883 218.372 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA SER A 184 216.326 275.565 218.108 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA SER A 185 219.290 276.562 220.283 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA SER A 186 221.658 279.361 219.242 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA HIS A 187 223.170 279.676 215.760 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA SER A 188 223.020 280.358 212.014 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA GLY A 189 225.476 281.598 209.378 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA VAL A 190 224.122 284.270 207.024 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA MET A 191 224.280 287.717 205.409 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA ASP A 192 226.580 290.464 206.704 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA ARG A 193 227.903 293.310 204.544 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA GLU A 194 229.148 294.548 201.162 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA GLY A 195 227.372 296.880 198.729 1.00 0.00 C
|
| 198 |
+
ATOM 196 CA ASP A 196 224.669 298.779 200.627 1.00 0.00 C
|
| 199 |
+
ATOM 197 CA VAL A 197 221.498 299.909 198.842 1.00 0.00 C
|
| 200 |
+
ATOM 198 CA SER A 198 220.392 300.331 195.221 1.00 0.00 C
|
| 201 |
+
ATOM 199 CA ALA A 199 221.047 303.912 194.096 1.00 0.00 C
|
| 202 |
+
ATOM 200 CA ILE A 200 221.256 307.230 195.957 1.00 0.00 C
|
| 203 |
+
ATOM 201 CA ARG A 201 224.092 309.455 197.191 1.00 0.00 C
|
| 204 |
+
ATOM 202 CA SER A 202 226.564 311.171 199.528 1.00 0.00 C
|
| 205 |
+
ATOM 203 CA SER A 203 228.760 313.279 201.819 1.00 0.00 C
|
| 206 |
+
TER 204 SER A 203
|
| 207 |
+
END
|
Fungi/A0A2J5HCX2/A0A2J5HCX2.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:12bb75622be45093363bb15db6aaa001827b8d980a40ffd3bf691fe996b0f687
|
| 3 |
+
size 9920276
|
Fungi/A0A2J5HCX2/top.pdb
ADDED
|
@@ -0,0 +1,80 @@
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 252.152 264.658 270.578 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 249.278 266.869 269.409 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASN A 3 248.489 269.746 267.038 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 246.632 270.828 263.893 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLN A 5 244.242 273.066 261.945 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 241.235 270.927 260.996 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA TRP A 7 240.000 270.717 257.398 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ILE A 8 240.430 267.884 254.886 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA THR A 9 240.260 266.446 251.362 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 242.653 268.129 248.922 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 246.347 268.921 248.426 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 249.989 268.139 249.227 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA MET A 13 253.371 267.929 250.969 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA THR A 14 257.130 267.350 251.184 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA THR A 15 259.925 265.538 253.034 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 263.418 266.808 252.198 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLN A 17 265.704 269.853 252.050 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 269.473 269.295 251.992 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 270.341 265.660 251.249 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA SER A 20 270.024 264.290 247.708 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 268.718 260.722 247.990 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 268.034 259.003 251.321 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ARG A 23 267.155 258.229 254.946 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLY A 24 265.415 258.787 258.289 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 262.294 256.602 258.349 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLU A 26 258.672 257.482 257.564 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 256.381 259.337 255.149 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA TRP A 28 254.490 261.997 257.116 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 255.370 263.417 260.540 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 253.175 262.004 263.315 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 249.905 260.116 262.809 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ILE A 32 249.153 257.159 260.527 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 247.718 255.745 257.293 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 247.727 252.264 255.744 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 248.699 251.583 252.124 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 248.001 248.327 250.273 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA PRO A 37 248.710 245.618 252.857 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 248.988 241.848 253.326 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 250.219 238.300 252.681 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA CYS A 40 252.868 236.047 251.125 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 254.748 233.332 253.025 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA VAL A 42 257.082 231.725 255.572 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLU A 43 259.315 234.324 257.237 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 261.063 233.080 260.386 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 262.489 231.535 263.563 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 259.534 230.874 265.876 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LEU A 47 257.341 228.412 263.966 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 254.579 230.326 262.169 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASN A 49 253.877 234.064 261.942 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 253.122 237.722 261.194 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 255.840 239.390 259.108 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLU A 52 258.808 240.582 257.039 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 261.572 240.089 254.462 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA TYR A 54 262.239 242.988 252.082 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA THR A 55 262.191 245.160 248.952 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 260.595 248.515 248.109 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA TYR A 57 258.161 247.990 245.225 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 255.045 250.126 244.730 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA VAL A 59 251.908 248.011 245.181 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA HIS A 60 250.175 245.499 242.900 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLU A 61 248.824 243.440 239.992 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ILE A 62 247.198 241.186 237.386 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA PRO A 63 243.628 239.883 237.119 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 241.726 236.957 235.590 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA TYR A 65 239.098 235.237 233.433 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 236.671 236.752 230.917 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 235.019 234.133 228.698 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLN A 68 231.339 233.903 227.738 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 228.266 233.593 225.507 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA PRO A 70 224.952 233.830 227.373 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 223.480 237.245 226.544 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 222.633 238.675 223.116 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 220.695 236.794 220.429 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 218.581 234.080 222.069 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ILE A 75 217.246 232.154 225.073 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA THR A 76 218.176 230.755 228.493 1.00 0.00 C
|
| 79 |
+
TER 77 THR A 76
|
| 80 |
+
END
|
Fungi/A0A2J6TCL4/A0A2J6TCL4.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:86fe174da660322afa0640daa756138f8a18e4766d9d2149b47ccb1404c55677
|
| 3 |
+
size 9920276
|
Fungi/A0A2J6TCL4/top.pdb
ADDED
|
@@ -0,0 +1,80 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 258.356 265.422 211.343 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LEU A 2 256.653 262.421 209.728 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 255.127 260.220 212.438 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ARG A 4 253.441 256.811 212.219 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 253.687 253.066 212.877 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 254.906 250.011 210.954 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA THR A 7 256.303 246.476 210.696 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 260.017 246.784 211.485 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 262.969 248.958 210.447 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 265.049 251.950 211.561 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 263.003 255.134 211.992 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA HIS A 12 261.500 255.189 215.493 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA PRO A 13 262.474 253.664 218.846 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 262.069 253.806 222.631 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 262.927 254.895 226.180 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 264.591 256.669 229.113 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA HIS A 17 267.459 258.694 230.593 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LEU A 18 269.163 262.001 231.416 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 272.237 261.185 233.513 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLN A 20 274.925 259.532 235.648 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 277.400 257.143 237.287 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 277.588 254.277 239.790 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LYS A 23 277.757 254.652 243.578 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 276.846 252.662 246.696 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 276.199 254.192 250.125 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLU A 26 277.082 255.008 253.740 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA LYS A 27 274.280 256.977 255.411 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLN A 28 271.699 254.501 256.723 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA LYS A 29 268.867 253.175 254.547 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 265.813 252.318 252.436 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA LYS A 31 262.392 252.814 250.833 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 259.181 254.054 249.199 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLU A 33 255.968 255.970 248.478 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 252.310 255.015 248.008 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LYS A 35 248.602 254.318 248.538 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA GLN A 36 246.259 255.022 245.618 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LYS A 37 243.045 253.157 246.459 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 239.934 255.351 246.596 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LYS A 39 239.708 258.966 247.778 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLN A 40 237.416 260.081 250.610 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 238.160 259.919 254.343 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 235.350 259.148 256.797 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 232.004 260.970 256.744 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 228.844 263.037 256.240 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 225.786 261.064 255.111 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 223.812 258.712 257.366 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 223.081 259.212 261.072 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLN A 48 221.144 258.230 264.202 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 222.589 258.148 267.726 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA LYS A 50 224.364 255.399 269.678 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLN A 51 227.484 253.401 270.563 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 230.674 254.489 272.341 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 232.099 254.991 275.839 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLN A 54 234.957 252.621 276.692 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLN A 55 237.080 249.842 278.205 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA LYS A 56 236.141 246.442 276.766 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 234.448 246.770 273.369 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLN A 58 233.210 244.344 270.704 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLN A 59 234.467 240.928 269.579 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLU A 60 237.723 239.773 267.974 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 240.316 237.102 267.160 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLN A 62 243.821 236.595 265.755 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA THR A 63 247.231 234.907 265.552 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ASP A 64 249.574 236.472 268.117 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLN A 65 251.542 238.508 270.666 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLN A 66 252.415 237.222 274.145 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA LYS A 67 251.299 235.634 277.424 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 249.943 232.112 277.941 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLN A 69 246.425 231.415 276.654 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLN A 70 243.469 232.972 274.824 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLU A 71 240.746 231.733 272.464 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA LYS A 72 241.717 228.923 270.081 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLN A 73 241.195 225.310 271.170 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 239.647 223.062 268.512 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ASP A 75 240.355 224.452 265.035 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLN A 76 241.687 223.602 261.568 1.00 0.00 C
|
| 79 |
+
TER 77 GLN A 76
|
| 80 |
+
END
|
Fungi/A0A2J6TSM4/A0A2J6TSM4.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9b797ad070ddf0526c36598335f81c4e9402df2510475c8e1894e9ba34ec28bb
|
| 3 |
+
size 10400276
|
Fungi/A0A2J6TSM4/top.pdb
ADDED
|
@@ -0,0 +1,84 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 231.608 252.602 254.694 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA VAL A 2 231.533 256.146 253.298 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 231.813 259.927 252.918 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PHE A 4 233.333 261.290 256.135 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA MET A 5 233.592 264.170 258.616 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 232.847 267.685 257.350 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 232.922 271.432 258.037 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ARG A 8 233.705 274.655 256.163 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 230.401 276.542 255.977 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA HIS A 10 228.090 275.432 253.158 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA HIS A 11 226.511 274.483 249.823 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LEU A 12 223.174 273.197 248.509 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 221.953 272.122 245.064 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 223.113 270.542 241.797 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LEU A 15 224.117 266.960 242.619 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ALA A 16 225.372 263.462 241.778 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 226.738 260.359 243.517 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LEU A 18 226.683 256.928 241.860 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 230.200 255.488 242.129 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LEU A 20 230.667 251.934 240.839 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 234.164 250.641 241.625 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ASP A 22 234.844 248.618 244.782 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 232.178 246.074 245.748 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 233.570 243.663 248.350 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LYS A 25 235.961 242.092 250.865 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 238.834 240.570 252.852 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 242.406 240.255 254.140 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLN A 28 243.061 237.784 256.965 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 245.525 239.430 259.361 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA TRP A 30 244.180 241.821 262.005 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASP A 31 245.960 244.399 264.173 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 249.320 243.642 265.802 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 250.965 240.291 265.037 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASN A 34 251.754 239.842 261.336 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 251.648 240.088 257.536 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 249.412 240.748 254.523 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ARG A 37 248.352 243.356 251.955 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 247.801 244.669 248.421 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLN A 39 249.436 246.295 245.388 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ILE A 40 246.733 248.310 243.611 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 247.538 247.934 239.906 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 245.810 249.997 237.209 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 243.634 248.201 234.649 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLN A 44 240.879 246.152 232.997 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 238.808 242.957 233.141 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA THR A 46 237.033 242.779 236.508 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 238.224 244.864 239.466 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 240.145 242.789 242.019 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA TRP A 49 238.220 240.205 244.054 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 240.879 238.076 245.760 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA SER A 51 244.248 239.555 246.749 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 247.125 238.668 244.413 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ASP A 53 248.397 241.361 242.038 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA LEU A 54 248.131 240.828 238.275 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 250.371 243.299 236.433 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA PRO A 56 253.901 243.144 237.858 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASP A 57 256.990 245.145 236.873 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA SER A 58 257.101 248.892 236.191 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LEU A 59 259.297 250.777 238.669 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLU A 60 258.456 250.327 242.358 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ILE A 61 260.712 251.446 245.217 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 263.106 252.858 247.824 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 266.885 252.986 247.353 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 270.027 251.179 246.180 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 272.895 250.449 248.579 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LEU A 66 274.427 246.964 248.431 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA PHE A 67 274.489 243.422 249.834 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA VAL A 68 276.611 243.274 252.995 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 277.604 241.517 256.227 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASP A 70 278.351 240.654 259.862 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 280.209 239.001 262.748 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLN A 72 283.227 241.146 263.645 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 283.270 244.381 261.633 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ASP A 74 286.884 245.529 261.267 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 290.542 246.348 260.581 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 292.989 246.316 263.501 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLN A 77 296.253 248.120 264.280 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLU A 78 295.477 250.703 266.971 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LEU A 79 294.402 254.215 267.982 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 291.974 255.601 270.571 1.00 0.00 C
|
| 83 |
+
TER 81 SER A 80
|
| 84 |
+
END
|
Fungi/A0A2K0UK09/A0A2K0UK09.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f057a0ad6439ef57b532774af354f654cf50b544e0d2d55a16486a9c301ab095
|
| 3 |
+
size 10040276
|
Fungi/A0A2K0UK09/top.pdb
ADDED
|
@@ -0,0 +1,81 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 240.135 275.651 263.641 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA LEU A 2 241.141 272.161 264.791 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 243.874 269.879 266.146 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLY A 4 246.473 267.840 268.044 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 249.910 269.429 268.466 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LYS A 6 251.326 272.966 268.480 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 255.051 272.507 267.823 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LYS A 8 257.785 270.753 265.832 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 259.472 270.308 262.445 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 258.370 268.688 259.178 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 254.833 267.274 259.089 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 251.642 266.699 257.089 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 249.620 263.800 258.512 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 250.602 260.300 259.652 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 252.631 258.580 262.380 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 254.423 255.285 261.711 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 252.090 252.286 261.434 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 253.081 248.619 261.137 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 251.845 246.968 257.934 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA VAL A 20 248.266 246.533 256.701 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA THR A 21 246.655 248.447 253.828 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 245.792 251.918 255.139 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA SER A 23 246.244 255.621 255.917 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ASP A 24 243.888 258.564 256.469 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLY A 25 241.669 261.425 257.653 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 240.201 264.888 258.262 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 237.201 266.197 260.212 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 234.490 268.033 262.158 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 233.077 267.333 265.627 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASP A 30 232.518 263.575 265.913 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 233.747 260.549 263.951 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLY A 32 234.745 258.797 260.719 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLY A 33 233.242 255.537 259.441 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 234.886 252.669 261.334 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 236.574 253.820 264.550 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 239.893 251.975 264.858 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLY A 37 242.491 249.796 263.121 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LEU A 38 242.630 247.003 260.534 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 240.060 246.109 257.866 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ALA A 40 240.533 243.798 254.875 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLY A 41 242.487 240.541 254.570 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ASP A 42 246.076 240.984 255.771 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 246.927 237.987 257.964 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLY A 44 250.598 238.461 258.869 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 253.528 240.608 257.720 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 254.005 241.683 254.096 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 250.843 241.860 251.979 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LEU A 48 250.420 244.864 249.673 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ARG A 49 250.199 247.550 246.981 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 251.304 249.637 243.991 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 250.545 251.533 240.774 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 252.536 250.406 237.727 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA TYR A 53 251.346 247.788 235.227 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 253.048 246.289 232.166 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ARG A 55 254.186 243.441 229.906 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA LYS A 56 257.899 244.083 229.342 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA TRP A 57 259.956 246.811 227.656 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ASP A 58 263.568 245.598 227.602 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 265.807 248.286 226.094 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA PRO A 60 269.401 248.650 227.303 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLN A 61 270.315 246.119 230.000 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 271.325 246.422 233.661 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLU A 63 271.756 242.840 234.886 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLN A 64 270.321 239.494 236.008 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ARG A 65 268.159 236.525 234.993 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLU A 66 265.398 234.087 234.021 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ILE A 67 263.010 231.484 235.449 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA TRP A 68 262.313 227.758 235.062 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ILE A 69 259.202 226.202 236.616 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 255.703 226.628 235.169 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PRO A 71 252.624 228.622 234.141 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 249.217 229.235 232.549 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 246.442 231.108 230.730 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA SER A 74 245.134 228.616 228.163 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ALA A 75 241.866 228.528 226.207 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 240.267 225.171 227.035 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLY A 77 239.162 221.525 226.989 1.00 0.00 C
|
| 80 |
+
TER 78 GLY A 77
|
| 81 |
+
END
|
Fungi/A0A2K0UNZ6/A0A2K0UNZ6.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:91ea1a38bed5458e23dee66c6a86950894e969adf1841c91f7af35690e531a0e
|
| 3 |
+
size 5120276
|
Fungi/A0A2K0UNZ6/top.pdb
ADDED
|
@@ -0,0 +1,40 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 259.138 243.875 252.822 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 257.998 246.277 255.551 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 258.826 245.742 259.231 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA MET A 4 258.175 242.989 261.783 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PHE A 5 257.327 243.364 265.478 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 253.636 243.619 266.388 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLN A 7 250.382 245.595 266.230 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ASN A 8 248.426 245.085 263.000 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 246.150 247.829 261.656 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA LEU A 10 242.345 247.967 261.512 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA MET A 11 239.792 249.506 259.140 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ASN A 12 239.659 251.705 256.031 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLY A 13 237.615 250.308 253.135 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PRO A 14 235.759 249.427 249.927 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASN A 15 237.643 250.990 247.007 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 240.266 253.584 247.959 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 242.843 253.811 245.162 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PHE A 18 244.613 255.803 242.439 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 248.407 255.876 242.091 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 251.020 257.190 244.531 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ALA A 21 253.895 259.193 243.034 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 257.204 258.963 244.909 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LYS A 23 256.837 257.926 248.556 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 255.627 256.395 251.829 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 255.232 252.895 253.280 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA HIS A 26 252.822 250.435 254.911 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 249.899 250.055 252.497 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLU A 28 247.403 251.562 250.044 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 248.162 250.184 246.574 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 247.217 249.626 242.926 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLN A 31 250.167 247.908 241.233 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA HIS A 32 252.137 250.192 238.905 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ARG A 33 254.511 249.053 236.151 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PHE A 34 255.391 248.069 232.577 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ASN A 35 257.480 245.199 231.194 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 255.996 241.804 230.307 1.00 0.00 C
|
| 39 |
+
TER 37 PRO A 36
|
| 40 |
+
END
|
Fungi/A0A2K3QD25/A0A2K3QD25.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d58a29613347ccc32485b293bb3a71e8aa208457830cb220ad0836a885e89de6
|
| 3 |
+
size 23600276
|
Fungi/A0A2K3QD25/top.pdb
ADDED
|
@@ -0,0 +1,194 @@
|
|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 298.475 234.755 263.369 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASP A 2 300.359 233.029 260.542 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 303.891 231.679 260.076 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 306.212 233.686 257.817 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ARG A 5 309.477 234.080 259.741 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 312.045 231.472 258.683 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA VAL A 7 311.415 227.841 259.650 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA LEU A 8 309.738 225.356 262.001 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 307.225 227.115 264.260 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA SER A 10 303.492 226.907 264.997 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA LEU A 11 300.277 226.424 263.011 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA SER A 12 296.681 226.479 261.753 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA HIS A 13 293.362 224.806 262.590 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA HIS A 14 291.398 225.444 265.793 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA THR A 15 290.474 225.694 269.480 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 291.648 222.901 271.791 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA SER A 17 294.871 221.172 272.858 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 295.594 218.066 270.772 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ASN A 19 292.997 216.057 268.841 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ARG A 20 289.905 214.600 270.523 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 288.613 216.778 273.370 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 288.436 214.692 276.553 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 285.134 213.978 278.315 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA VAL A 24 283.137 217.173 278.885 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PHE A 25 284.591 220.223 280.646 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 286.856 221.985 278.140 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLN A 27 290.293 223.227 279.215 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA GLN A 28 290.075 226.967 279.906 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLN A 29 292.078 229.024 282.411 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLN A 30 294.869 228.595 284.969 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLN A 31 296.472 227.900 288.355 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PHE A 32 294.127 228.596 291.275 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 294.475 226.719 294.573 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASN A 34 291.996 226.875 297.462 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA HIS A 35 288.405 227.527 298.554 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA HIS A 36 286.804 229.386 301.469 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASN A 37 284.081 231.918 300.637 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA SER A 38 282.320 232.889 297.401 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PRO A 39 282.941 235.173 294.415 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA TYR A 40 279.864 235.335 292.175 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ALA A 41 280.225 236.098 288.459 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 281.707 237.486 285.235 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 283.078 239.858 282.588 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 283.145 239.265 278.825 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LEU A 45 282.998 237.628 275.388 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PRO A 46 280.981 239.508 272.759 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ARG A 47 277.735 241.502 272.728 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLN A 48 274.281 240.379 271.574 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA HIS A 49 273.553 242.575 268.547 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 272.797 244.559 265.383 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ASP A 51 270.426 245.331 262.502 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ASP A 52 272.097 246.706 259.367 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA LYS A 53 271.169 248.916 256.405 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 269.481 249.532 253.045 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 271.204 252.430 251.271 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 270.069 252.542 247.635 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ILE A 57 266.516 251.166 247.644 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LYS A 58 265.419 248.860 244.817 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 265.360 250.421 241.342 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 265.492 250.817 237.555 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA SER A 61 262.937 253.282 236.173 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 260.059 253.904 233.754 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA SER A 63 261.554 253.490 230.274 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 261.979 250.829 227.581 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 258.710 249.960 225.829 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLY A 66 255.073 248.864 225.534 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 252.615 245.953 225.581 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 249.410 244.255 226.748 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 249.403 243.520 230.486 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 247.481 245.459 233.144 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ALA A 71 247.822 247.580 236.291 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ALA A 72 248.538 250.783 238.226 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 247.326 253.997 236.579 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 245.273 256.841 238.066 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLY A 75 242.395 258.833 236.559 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ARG A 76 239.926 260.615 234.270 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PHE A 77 236.550 260.448 236.029 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA THR A 78 232.930 261.632 236.098 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLU A 79 229.513 262.500 234.652 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLU A 80 226.558 264.090 236.455 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA TRP A 81 223.129 265.347 235.369 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ASP A 82 222.487 269.081 235.774 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ALA A 83 224.580 270.276 238.725 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA SER A 84 223.876 270.710 242.444 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLN A 85 223.726 267.149 243.789 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ARG A 86 226.426 266.415 246.376 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLY A 87 228.191 263.295 245.086 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 229.452 261.435 248.162 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 231.808 258.985 249.885 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA VAL A 90 232.287 255.748 247.934 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ILE A 91 228.857 254.893 246.513 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ASP A 92 227.089 257.336 244.185 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLY A 93 224.137 255.479 242.649 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA PRO A 94 221.405 253.602 240.771 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA SER A 95 220.266 250.137 239.670 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ARG A 96 217.825 247.632 241.181 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA SER A 97 216.599 244.355 239.673 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 216.497 240.947 237.972 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ARG A 99 217.776 237.852 236.155 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ALA A 100 216.580 234.648 237.834 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA ALA A 101 212.795 234.356 237.507 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ALA A 102 209.283 234.851 238.899 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA MET A 103 206.946 237.558 240.213 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLN A 104 203.423 238.445 239.065 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 202.864 241.538 236.912 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 202.795 243.217 233.493 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA SER A 107 205.751 242.285 231.278 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA SER A 108 207.756 239.192 232.243 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA VAL A 109 206.463 235.608 232.257 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA HIS A 110 206.026 231.829 232.049 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA SER A 111 206.482 228.194 231.004 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA PHE A 112 209.619 226.809 232.666 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA SER A 113 212.322 229.429 233.255 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ALA A 114 215.821 228.030 233.814 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLY A 115 215.685 224.274 234.443 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ASP A 116 215.581 222.636 237.881 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ASP A 117 215.170 222.387 241.660 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA ARG A 118 218.214 220.560 243.044 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLN A 119 219.855 217.327 241.874 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA LEU A 120 223.297 217.110 243.492 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA PRO A 121 225.001 219.353 246.058 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA VAL A 122 226.396 216.980 248.692 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA ARG A 123 228.684 215.226 251.182 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASN A 124 231.753 215.619 253.405 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASN A 125 232.070 218.211 256.180 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA THR A 126 231.306 221.760 255.025 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LEU A 127 233.651 223.513 252.587 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA LYS A 128 236.552 225.525 251.154 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA LYS A 129 237.576 228.786 252.839 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA LYS A 130 238.252 230.375 256.234 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ALA A 131 241.710 229.560 257.611 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA SER A 132 245.182 228.618 258.867 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA MET A 133 246.222 230.242 262.153 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ARG A 134 247.921 232.965 264.205 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ARG A 135 250.041 236.018 263.367 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA SER A 136 250.119 238.254 260.283 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA SER A 137 247.267 240.038 258.494 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA SER A 138 244.187 239.834 260.727 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA LEU A 139 240.783 238.872 259.311 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ARG A 140 238.163 240.270 256.924 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 236.848 243.050 254.676 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA SER A 142 239.975 244.692 253.247 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA SER A 143 241.974 247.780 252.255 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA SER A 144 243.582 251.230 252.424 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ARG A 145 242.946 253.704 249.597 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ARG A 146 242.885 257.253 248.213 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA SER A 147 241.233 260.682 248.032 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA ASN A 148 238.057 262.407 246.826 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA ARG A 149 235.675 265.224 245.874 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA ALA A 150 235.129 266.714 242.411 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA GLY A 151 236.717 267.912 239.161 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA SER A 152 236.773 266.911 235.485 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA VAL A 153 239.674 267.734 233.157 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA ARG A 154 243.220 269.124 233.265 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA SER A 155 243.717 271.407 230.255 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA LEU A 156 244.969 274.816 229.104 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ALA A 157 243.640 278.382 229.283 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA LEU A 158 246.207 281.078 228.471 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA HIS A 159 247.454 283.651 225.953 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA SER A 160 246.427 283.090 222.328 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA ALA A 161 245.588 286.435 220.709 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA SER A 162 246.562 288.874 217.948 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA ASP A 163 243.549 291.144 217.412 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA PRO A 164 242.791 293.722 220.112 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA ASP A 165 239.438 295.193 219.061 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA ASP A 166 235.668 295.460 219.544 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA ALA A 167 234.601 292.573 221.789 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA SER A 168 231.513 290.484 222.574 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA SER A 169 229.346 289.426 225.524 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA ALA A 170 229.507 290.998 228.991 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA PHE A 171 227.383 294.123 229.481 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA TYR A 172 227.546 297.301 231.576 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA CYS A 173 225.957 298.502 234.825 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA PRO A 174 224.572 295.980 237.322 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA VAL A 175 227.283 295.360 239.926 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA PRO A 176 230.163 294.138 242.101 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA THR A 177 232.338 291.793 244.171 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA THR A 178 234.275 293.224 247.123 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA GLY A 179 237.120 291.192 248.637 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA THR A 180 238.124 293.083 251.788 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA PRO A 181 238.531 296.639 253.095 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA THR A 182 238.014 299.160 250.285 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA ASP A 183 236.659 299.427 246.734 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA VAL A 184 237.849 299.828 243.137 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA LEU A 185 236.944 302.973 241.187 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA ALA A 186 233.191 302.861 240.540 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA ASN A 187 230.298 304.348 238.555 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA ARG A 188 226.512 304.322 238.136 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA PHE A 189 225.635 307.878 237.084 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA GLN A 190 225.080 310.809 239.454 1.00 0.00 C
|
| 193 |
+
TER 191 GLN A 190
|
| 194 |
+
END
|
Fungi/A0A2N0QNY4/A0A2N0QNY4.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:fb339f11248e8c23edf8b80b58f823beccc660396e6b8a6da6f31b40253caa53
|
| 3 |
+
size 12680276
|
Fungi/A0A2N0QNY4/top.pdb
ADDED
|
@@ -0,0 +1,103 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA GLN A 1 276.884 227.181 252.693 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 273.865 225.540 254.338 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 271.908 227.392 257.031 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLN A 4 269.964 225.428 259.655 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ASP A 5 267.416 227.832 261.153 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 268.337 228.653 264.757 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ILE A 7 265.766 227.644 267.382 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA HIS A 8 262.783 226.395 269.397 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LYS A 9 262.878 227.386 273.075 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 260.401 227.170 275.961 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA VAL A 11 258.763 223.732 276.105 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PHE A 12 255.516 221.813 275.569 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 253.693 218.545 276.286 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ILE A 14 255.238 215.135 276.996 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASN A 15 255.489 211.392 277.659 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PRO A 16 255.823 209.269 274.513 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ILE A 17 256.875 211.064 271.321 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ILE A 18 255.281 214.005 269.498 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 252.223 216.231 269.043 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 248.616 215.546 270.062 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA TRP A 21 246.350 213.192 268.103 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLN A 22 243.769 211.459 265.900 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 239.963 211.489 266.061 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 238.440 212.207 262.643 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 238.789 215.894 261.750 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 241.316 218.696 261.221 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 240.245 222.331 261.616 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA LYS A 28 238.463 224.818 263.887 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA THR A 29 239.565 226.815 266.939 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 239.955 230.278 268.478 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ARG A 31 238.103 233.291 267.060 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LYS A 32 240.076 235.958 265.188 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 237.889 237.635 262.558 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA LYS A 34 234.390 237.428 261.064 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 231.060 235.735 260.315 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA LYS A 36 228.221 237.057 262.485 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 229.148 240.589 263.574 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA VAL A 38 232.215 241.369 265.696 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLU A 39 235.020 243.104 267.604 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLN A 40 235.534 243.285 271.375 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LYS A 41 233.334 243.595 274.470 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLN A 42 229.832 244.788 273.557 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLN A 43 229.159 247.894 271.456 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LYS A 44 227.511 249.057 268.224 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LYS A 45 230.138 248.734 265.483 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLN A 46 233.557 249.538 264.008 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PRO A 47 235.085 250.564 260.672 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 236.105 251.589 257.147 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA LEU A 49 235.778 248.405 255.081 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 238.912 246.256 255.369 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA PHE A 51 242.683 245.955 255.820 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 245.644 243.559 255.715 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLN A 53 245.964 240.265 253.828 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA HIS A 54 248.343 240.952 250.933 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA LYS A 55 249.170 243.927 248.700 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 247.253 247.133 249.451 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA THR A 57 248.777 250.084 247.584 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLU A 58 251.799 252.122 248.695 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA LYS A 59 255.338 251.894 250.088 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA THR A 60 258.079 254.401 249.242 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA THR A 61 258.010 256.931 246.394 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ASP A 62 261.033 259.019 245.385 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ASP A 63 262.657 259.055 241.939 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA MET A 64 263.673 257.599 238.568 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ASP A 65 266.840 255.673 237.685 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ILE A 66 269.875 257.227 235.984 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 268.604 258.844 232.777 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLN A 68 265.848 261.405 232.176 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ASP A 69 263.399 264.131 231.134 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA THR A 70 260.748 266.346 229.527 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PHE A 71 257.263 264.809 229.428 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ALA A 72 254.513 262.172 229.484 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 251.520 263.786 231.203 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA SER A 74 248.202 265.656 231.119 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA SER A 75 247.231 267.059 234.526 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLU A 76 248.870 270.220 235.879 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA SER A 77 252.145 271.968 236.739 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLY A 78 255.085 269.548 236.622 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLY A 79 258.659 269.720 235.312 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ALA A 80 259.248 273.361 234.358 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ALA A 81 256.791 275.970 235.653 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LYS A 82 255.369 279.158 234.127 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA SER A 83 256.307 280.785 230.812 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ASN A 84 258.201 279.412 227.805 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA THR A 85 259.111 282.143 225.310 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASP A 86 260.232 285.514 223.933 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ASN A 87 262.908 286.193 221.307 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLN A 88 262.733 289.741 219.931 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA VAL A 89 260.598 292.782 219.088 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA THR A 90 257.409 294.820 219.530 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PRO A 91 255.033 296.077 216.830 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLU A 92 252.014 298.389 217.073 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASN A 93 248.942 296.223 216.447 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA LEU A 94 245.744 294.361 217.352 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ASP A 95 242.198 295.265 216.290 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ALA A 96 238.911 296.760 217.503 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA PRO A 97 237.298 300.058 218.522 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ILE A 98 235.919 300.420 222.055 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ASP A 99 232.168 300.707 222.660 1.00 0.00 C
|
| 102 |
+
TER 100 ASP A 99
|
| 103 |
+
END
|
Fungi/A0A2N1NH47/A0A2N1NH47.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:fa7c35ab01d98389ebf3efbbf13b012b63dfb48b11ac2a17e7330b7bbe9b29da
|
| 3 |
+
size 12200276
|
Fungi/A0A2N1NH47/top.pdb
ADDED
|
@@ -0,0 +1,99 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA GLU A 1 236.602 255.787 245.661 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 236.124 252.007 245.638 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 235.500 250.032 248.835 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LYS A 4 233.025 247.144 248.609 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ASN A 5 231.279 245.690 251.667 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 233.818 244.380 254.187 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLU A 7 237.359 245.392 253.208 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 238.993 248.016 255.436 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA LEU A 9 242.379 249.685 255.953 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ASN A 10 243.029 252.293 253.253 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLN A 11 246.752 253.092 253.370 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 249.063 251.574 250.748 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 251.180 249.507 248.347 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLU A 14 254.390 251.526 247.976 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLU A 15 257.375 251.855 250.320 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 259.966 251.437 253.082 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LYS A 17 260.764 247.914 254.292 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ASN A 18 261.406 246.069 257.564 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 260.265 245.425 261.141 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA GLU A 20 256.717 246.199 262.295 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 253.816 244.636 264.207 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA LEU A 22 250.419 243.566 262.853 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ASN A 23 249.190 243.769 259.253 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 249.829 244.831 255.650 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLU A 25 248.815 243.677 252.163 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 252.030 243.756 250.120 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLU A 27 255.137 242.682 248.196 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 257.523 243.701 245.406 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ARG A 29 256.390 243.725 241.768 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 254.001 240.774 241.449 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASN A 31 251.273 238.339 242.517 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA VAL A 32 248.201 240.545 242.979 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA LYS A 33 247.550 240.523 246.733 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLU A 34 245.849 237.334 247.937 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LEU A 35 243.955 234.584 246.103 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ASN A 36 243.970 230.775 246.039 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 247.030 229.068 244.542 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 248.208 225.669 245.796 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA PHE A 39 250.383 223.023 244.128 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA MET A 40 253.921 224.319 243.563 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ARG A 41 255.534 227.078 241.490 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA ARG A 42 257.333 226.192 238.250 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA LYS A 43 260.247 227.851 236.442 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 262.928 229.767 238.355 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA VAL A 45 261.766 233.062 239.874 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 261.679 233.695 243.630 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLU A 47 260.104 235.460 246.617 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 260.159 235.641 250.422 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASN A 49 262.845 235.389 253.112 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLN A 50 263.943 232.203 254.889 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LYS A 51 266.025 231.744 258.047 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA SER A 52 267.592 234.118 260.581 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLU A 53 270.543 236.468 261.110 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 272.513 237.112 257.913 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ARG A 55 272.427 240.870 257.296 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA LYS A 56 271.716 244.348 258.682 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ASN A 57 270.680 243.761 262.301 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ALA A 58 271.072 246.177 265.221 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLU A 59 270.058 249.790 264.561 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLU A 60 268.704 253.343 264.313 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LEU A 61 267.796 256.043 261.783 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ASN A 62 265.737 256.505 258.611 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLN A 63 262.920 258.466 256.956 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA LYS A 64 263.167 259.385 253.267 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PHE A 65 260.272 259.634 250.803 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLU A 66 260.146 257.718 247.513 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLU A 67 258.512 256.319 244.367 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ARG A 68 254.870 257.438 244.326 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA LYS A 69 253.950 260.714 246.039 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASN A 70 252.048 262.753 248.635 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA VAL A 71 249.261 261.557 250.941 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLU A 72 247.913 260.808 254.426 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLU A 73 248.287 260.017 258.134 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA LEU A 74 250.497 262.510 259.981 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ASN A 75 248.433 265.422 261.315 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLN A 76 245.983 267.778 259.595 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA GLU A 77 245.968 266.685 255.945 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA PHE A 78 244.283 266.245 252.556 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLU A 79 244.414 269.717 250.992 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ARG A 80 244.462 269.384 247.197 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 241.119 268.358 245.685 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LYS A 82 238.732 271.328 245.711 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASN A 83 237.153 272.852 248.826 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA VAL A 84 233.424 273.513 248.414 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLU A 85 231.558 276.375 246.728 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLU A 86 227.756 276.604 246.692 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA PRO A 87 226.257 275.764 243.291 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ASN A 88 223.992 272.784 242.582 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLN A 89 224.226 270.181 239.810 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA LYS A 90 224.264 266.386 239.482 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PHE A 91 226.943 265.175 237.058 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLU A 92 227.238 261.577 235.840 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLU A 93 225.923 259.864 232.701 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ARG A 94 227.023 262.106 229.823 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA LYS A 95 224.129 263.645 227.880 1.00 0.00 C
|
| 98 |
+
TER 96 LYS A 95
|
| 99 |
+
END
|
Fungi/A0A2N5SHY9/A0A2N5SHY9.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
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|
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|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:46dfdd698684c8df01bbc9df936e13658c359503f8a66ce05dfedc6cc1140884
|
| 3 |
+
size 10160276
|
Fungi/A0A2N5SHY9/top.pdb
ADDED
|
@@ -0,0 +1,82 @@
|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
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|
|
|
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|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 229.117 234.055 273.727 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 228.474 235.502 270.262 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLN A 3 228.778 235.013 266.496 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 226.158 235.265 263.742 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LYS A 5 223.181 234.854 261.400 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 219.768 236.197 260.368 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ASN A 7 217.220 235.851 257.556 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 213.528 235.782 256.617 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASN A 9 210.145 235.264 254.944 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLN A 10 208.651 236.623 251.714 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PRO A 11 207.101 238.415 248.729 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA MET A 12 208.831 238.906 245.370 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 207.084 238.291 242.041 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ASN A 14 208.641 239.316 238.717 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ARG A 15 211.826 241.067 237.576 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 213.433 242.801 234.588 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 215.879 245.703 234.920 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA LYS A 18 219.453 245.444 233.624 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 222.968 244.286 234.530 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 225.200 241.772 232.738 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA LYS A 21 228.843 242.888 232.694 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 229.742 245.217 235.572 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA PRO A 23 232.735 246.567 237.506 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LYS A 24 233.784 248.183 240.793 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LYS A 25 236.959 250.194 241.416 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 240.661 250.146 242.314 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA THR A 27 244.233 250.602 241.070 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 247.995 250.719 240.479 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLU A 29 250.143 253.752 239.639 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ARG A 30 253.629 252.799 240.843 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ILE A 31 254.874 249.505 242.298 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA SER A 32 257.507 246.884 243.143 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 260.631 245.903 245.091 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA SER A 34 260.477 244.135 248.462 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA PRO A 35 263.990 243.249 249.640 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 267.159 242.196 247.806 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LEU A 37 267.819 239.398 245.306 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA PRO A 38 268.627 238.513 241.689 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA VAL A 39 271.351 238.162 239.048 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA LEU A 40 271.993 241.682 237.740 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 273.750 244.687 239.289 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLY A 42 273.984 244.748 243.091 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLN A 43 274.893 241.682 245.161 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 277.880 240.518 247.221 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ARG A 45 278.829 241.923 250.632 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ARG A 46 278.476 244.513 253.405 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA PHE A 47 274.763 245.354 253.550 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 273.453 245.608 249.981 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA HIS A 49 270.402 247.883 250.153 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA TYR A 50 270.949 250.927 247.928 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LEU A 51 269.648 254.038 246.155 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA THR A 52 268.141 254.462 242.682 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 266.450 255.504 239.430 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA HIS A 54 263.783 256.771 237.022 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA VAL A 55 260.445 256.297 238.796 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ARG A 56 260.958 253.358 241.166 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 262.451 252.943 244.646 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA VAL A 58 263.536 251.544 248.020 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA THR A 59 263.693 252.668 251.657 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 260.783 251.638 253.890 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLN A 61 261.795 251.458 257.559 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 258.998 250.749 260.047 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLY A 63 259.110 252.355 263.500 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 261.333 254.902 265.258 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLY A 65 263.769 257.782 265.791 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 263.267 260.897 267.927 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ASP A 67 262.957 264.597 267.071 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLN A 68 263.297 268.331 267.745 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA TYR A 69 260.221 270.544 268.145 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASN A 70 256.697 271.971 268.384 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLU A 71 255.704 275.361 266.957 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLY A 72 258.781 277.589 266.668 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 261.902 278.143 264.554 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLN A 74 261.771 277.380 260.823 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA TYR A 75 264.368 278.213 258.163 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLY A 76 267.426 276.422 256.763 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA LEU A 77 271.057 277.376 257.410 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA THR A 78 271.693 277.761 261.147 1.00 0.00 C
|
| 81 |
+
TER 79 THR A 78
|
| 82 |
+
END
|
Fungi/A0A2N5TNH6/A0A2N5TNH6.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:82dd414a1612f8d228b64f8b4c49a403da74cd49a9e4c5c8c9f6f692d2c01cd2
|
| 3 |
+
size 16880276
|
Fungi/A0A2N5TNH6/top.pdb
ADDED
|
@@ -0,0 +1,138 @@
|
|
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|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 228.095 222.725 203.642 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLN A 2 226.911 225.023 206.440 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 228.777 227.101 209.032 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA GLN A 4 232.224 228.724 208.986 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA HIS A 5 233.432 231.555 211.231 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 233.481 235.364 211.236 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 231.897 236.929 214.328 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA HIS A 8 231.430 234.157 216.900 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 229.966 231.179 218.772 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLY A 10 229.356 230.354 222.441 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 230.055 227.835 225.213 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA SER A 12 230.417 229.093 228.790 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA GLN A 13 231.103 230.606 232.219 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 234.810 230.943 233.033 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 236.968 233.226 235.189 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLN A 16 239.836 234.122 237.531 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 243.360 234.184 238.979 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 245.341 232.245 241.592 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 248.696 233.987 242.070 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA HIS A 20 251.730 235.603 240.427 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA TYR A 21 254.653 237.476 238.856 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 253.459 238.707 235.454 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA HIS A 23 251.581 239.519 232.240 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 253.530 240.426 229.095 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA HIS A 25 254.426 244.014 228.179 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA PRO A 26 253.007 244.806 224.733 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA HIS A 27 255.361 244.732 221.738 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA SER A 28 253.681 243.032 218.772 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASN A 29 251.347 240.064 219.283 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA SER A 30 252.056 237.390 221.903 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA HIS A 31 255.839 237.107 222.255 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 256.737 233.934 224.162 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA CYS A 33 253.657 232.001 225.300 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 252.571 232.818 228.859 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ILE A 35 254.205 231.658 232.100 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 256.171 229.478 234.529 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 258.336 226.385 234.019 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASN A 38 259.732 225.015 237.288 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA LYS A 39 262.942 225.083 239.339 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 265.286 223.373 241.809 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA PRO A 41 268.505 221.334 241.795 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 269.309 219.419 244.989 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ASN A 43 266.804 217.634 247.237 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 265.680 219.899 250.087 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA ILE A 45 264.290 220.465 253.589 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PHE A 46 263.149 220.148 257.210 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA HIS A 47 259.683 221.549 257.945 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA SER A 48 258.044 224.685 256.532 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 256.903 227.646 258.641 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA SER A 50 257.834 231.338 258.781 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 255.634 234.421 258.369 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 252.909 236.943 257.517 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA PRO A 53 249.127 237.401 257.581 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 246.644 237.588 260.465 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA GLN A 55 243.057 237.959 259.237 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 242.621 240.106 256.120 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA PRO A 57 243.901 243.484 254.910 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLY A 58 242.225 246.668 253.656 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 238.493 247.297 254.089 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ARG A 60 235.474 245.316 255.306 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PRO A 61 235.759 244.893 259.082 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 237.761 242.981 261.700 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 240.314 245.471 263.041 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 240.173 245.295 266.844 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA LEU A 65 238.295 242.674 268.873 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA TYR A 66 234.848 241.874 267.460 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA HIS A 67 232.411 243.635 265.121 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 228.733 244.287 264.366 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA LEU A 69 225.565 246.358 263.928 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA PRO A 70 224.779 248.202 260.689 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA SER A 71 225.873 248.090 257.041 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ASN A 72 228.971 246.936 255.147 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA HIS A 73 231.021 249.049 252.729 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLN A 74 233.223 252.149 252.497 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ALA A 75 233.223 255.472 254.361 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 235.927 257.639 252.777 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA HIS A 77 237.697 260.925 253.541 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA SER A 78 237.233 263.618 250.886 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLN A 79 233.781 265.131 251.443 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA PRO A 80 233.689 267.200 254.641 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ARG A 81 236.444 268.853 256.689 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA SER A 82 236.515 267.783 260.345 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASN A 83 237.769 269.345 263.586 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLY A 84 236.289 272.339 265.419 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA PHE A 85 237.296 275.386 263.365 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA PRO A 86 237.095 279.011 264.520 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 236.340 282.149 266.545 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 236.052 285.947 266.451 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLN A 89 237.745 288.729 264.474 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA GLU A 90 240.110 289.052 261.505 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA HIS A 91 243.881 288.673 261.114 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA LEU A 92 247.300 287.184 261.896 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA VAL A 93 247.992 283.623 263.061 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ASP A 94 248.565 281.941 266.431 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA PRO A 95 251.553 280.331 268.162 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA SER A 96 254.223 278.322 269.993 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA PRO A 97 255.488 275.931 272.676 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLU A 98 259.106 274.798 273.048 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA MET A 99 261.762 277.008 271.443 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA HIS A 100 265.218 275.749 272.437 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLN A 101 268.399 277.840 272.292 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLN A 102 269.918 281.098 273.556 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 267.626 284.056 272.843 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA LYS A 104 265.053 284.289 270.042 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA SER A 105 261.944 283.267 268.092 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 259.154 281.151 266.590 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ALA A 107 257.237 281.180 263.298 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA LEU A 108 256.394 279.595 259.937 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA SER A 109 254.837 277.250 257.370 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA HIS A 110 256.686 274.249 255.925 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA HIS A 111 257.777 270.929 254.408 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA PRO A 112 258.241 267.227 255.180 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA PRO A 113 257.085 264.627 252.647 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ARG A 114 259.829 262.214 251.568 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA SER A 115 263.415 260.940 251.743 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA SER A 116 264.023 259.282 248.367 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA LYS A 117 267.570 258.381 247.307 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA SER A 118 270.240 257.945 249.989 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ASN A 119 270.281 258.211 253.789 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA LYS A 120 271.220 260.001 257.019 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA THR A 121 273.180 257.850 259.478 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA GLU A 122 276.618 259.077 260.570 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA LYS A 123 278.666 256.679 262.707 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA LEU A 124 280.735 253.990 264.441 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ASP A 125 278.739 250.872 265.339 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLU A 126 275.167 250.018 264.326 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA LEU A 127 275.279 248.481 260.841 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 271.866 247.240 259.692 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ARG A 129 268.905 248.280 261.853 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLY A 130 266.403 251.140 262.133 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA THR A 131 262.627 250.671 261.951 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLY A 132 260.064 247.966 262.747 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA SER A 133 256.696 249.428 261.729 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA SER A 134 255.363 247.274 258.883 1.00 0.00 C
|
| 137 |
+
TER 135 SER A 134
|
| 138 |
+
END
|
Fungi/A0A2N5V4U3/A0A2N5V4U3.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f13e230d1ca7c26f5f34cb5cf3eb2afef101c73c4b84f50176cae8556c438e7f
|
| 3 |
+
size 12800276
|
Fungi/A0A2N5V4U3/top.pdb
ADDED
|
@@ -0,0 +1,104 @@
|
|
|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 263.257 296.768 259.788 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLU A 2 263.459 300.340 261.097 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA THR A 3 266.536 302.434 260.281 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ASN A 4 270.154 303.500 260.823 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 272.466 300.547 261.491 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA PRO A 6 273.904 297.475 259.755 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA PRO A 7 276.920 297.181 257.446 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 279.194 294.132 257.216 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA PRO A 9 279.205 290.384 256.535 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 275.685 288.990 256.956 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 274.940 285.332 257.717 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 273.455 282.594 259.911 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 270.747 279.966 260.435 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 268.583 276.883 261.014 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 270.105 274.001 262.987 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LEU A 16 268.692 270.465 263.135 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA LEU A 17 265.373 268.816 262.253 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 263.124 267.698 259.388 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 261.247 266.143 256.460 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 261.332 265.736 252.673 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ALA A 21 262.012 263.866 249.424 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 260.786 264.136 245.827 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LEU A 23 262.250 263.744 242.331 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA SER A 24 265.844 262.481 242.360 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA SER A 25 267.770 262.816 239.090 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA THR A 26 271.085 264.386 240.121 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ALA A 27 273.128 261.669 241.840 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 274.344 258.243 242.983 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA SER A 29 272.522 255.414 241.196 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA PRO A 30 270.039 254.273 238.541 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA HIS A 31 268.548 254.671 235.058 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LEU A 32 269.889 254.142 231.531 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA PRO A 33 268.468 251.365 229.343 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA THR A 34 268.113 250.635 225.620 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA THR A 35 264.523 249.747 224.705 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 264.459 246.713 222.401 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ASP A 37 266.686 245.499 219.558 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA HIS A 38 266.490 244.814 215.816 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 263.095 244.791 214.086 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA HIS A 40 260.166 242.436 214.714 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 257.052 243.775 212.974 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 253.967 243.296 215.159 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 253.209 244.493 218.695 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 253.333 247.968 220.253 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 255.067 250.740 222.208 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA PRO A 46 254.738 252.232 225.698 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA SER A 47 255.792 255.013 228.079 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 257.045 257.529 230.652 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 259.575 260.191 229.636 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASN A 50 263.338 259.937 229.099 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LEU A 51 265.130 259.345 232.408 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 262.575 259.927 235.175 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA LEU A 53 260.904 257.601 237.687 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA HIS A 54 261.178 254.515 239.904 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA CYS A 55 257.785 253.717 241.443 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 255.525 250.743 240.693 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ARG A 57 251.718 250.727 240.534 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ARG A 58 249.473 252.901 242.713 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 248.274 253.221 246.315 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLY A 60 247.239 253.758 249.942 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA GLY A 61 245.652 250.700 251.569 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLY A 62 243.066 251.449 254.266 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA HIS A 63 243.800 253.555 257.355 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA PRO A 64 241.703 252.999 260.487 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLN A 65 241.532 252.859 264.291 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA MET A 66 243.083 250.296 266.644 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA HIS A 67 241.745 248.423 269.680 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ASN A 68 241.245 245.141 271.550 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA THR A 69 240.403 242.634 274.293 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA HIS A 70 238.795 239.583 272.674 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA LEU A 71 237.325 236.861 270.450 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA CYS A 72 237.890 235.011 267.168 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LYS A 73 238.132 231.279 266.441 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 235.626 228.435 266.826 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA LEU A 75 234.089 225.127 265.726 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA TRP A 76 232.607 223.091 262.867 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 230.703 221.572 259.937 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA PRO A 78 229.839 217.996 260.927 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ARG A 79 230.817 217.209 264.524 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA HIS A 80 230.925 213.470 265.250 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLN A 81 229.126 210.253 266.215 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLN A 82 226.764 211.124 269.075 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLN A 83 223.579 213.211 268.969 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA PRO A 84 222.319 213.328 272.563 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA VAL A 85 219.109 214.553 274.208 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASP A 86 215.693 214.377 272.529 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA HIS A 87 213.887 216.418 269.866 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA LEU A 88 214.786 219.524 267.851 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA HIS A 89 215.395 222.688 265.818 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PRO A 90 214.351 223.059 262.172 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ALA A 91 214.206 224.694 258.734 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA SER A 92 214.479 221.787 256.286 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 215.889 218.600 257.826 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 219.226 217.390 256.441 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLN A 95 220.641 220.069 254.131 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 222.717 223.251 253.841 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA LEU A 97 222.513 224.603 250.285 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA VAL A 98 220.006 225.902 247.727 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLN A 99 218.202 229.199 248.353 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA THR A 100 216.624 231.423 251.013 1.00 0.00 C
|
| 103 |
+
TER 101 THR A 100
|
| 104 |
+
END
|
Fungi/A0A2N5VM07/A0A2N5VM07.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:268612cc1f44fdf9c97cad1967de7a229f2d91248f86378be8ab769ea72f0c0e
|
| 3 |
+
size 17120276
|
Fungi/A0A2N5VM07/top.pdb
ADDED
|
@@ -0,0 +1,140 @@
|
|
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|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 193.685 202.296 280.439 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ARG A 2 189.950 203.052 280.456 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLN A 3 186.971 205.418 280.263 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA SER A 4 183.181 205.478 280.650 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA ILE A 5 181.457 208.642 281.888 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA MET A 6 179.008 211.558 281.994 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 179.923 214.116 279.322 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLU A 8 181.739 212.090 276.655 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLN A 9 181.601 209.646 273.736 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 184.239 208.518 271.229 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLN A 11 185.095 204.917 272.130 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ARG A 12 188.205 203.258 273.577 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ARG A 13 190.466 200.220 273.157 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LEU A 14 191.386 198.324 276.331 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 192.410 194.781 275.376 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA TYR A 16 193.793 195.093 271.840 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLN A 17 195.190 197.760 269.505 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 198.436 199.695 269.019 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLN A 19 198.552 202.548 266.497 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA MET A 20 202.183 202.947 265.414 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLN A 21 204.942 203.783 262.923 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLN A 22 205.441 206.532 260.332 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 205.622 210.068 258.925 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLN A 24 204.701 211.584 255.553 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA GLN A 25 204.090 215.305 255.010 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ASN A 26 204.279 219.077 254.510 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 203.844 221.146 251.341 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 204.038 224.586 249.715 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA GLY A 29 204.737 227.981 248.132 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLY A 30 204.240 230.408 245.238 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASN A 31 202.369 228.616 242.444 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 203.124 229.083 238.739 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA GLN A 33 206.538 230.242 237.507 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASN A 34 209.037 228.473 239.775 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 211.645 226.936 242.088 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 211.816 223.363 243.401 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 212.657 220.423 245.673 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ALA A 38 213.650 222.015 248.989 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLY A 39 216.223 224.790 249.424 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA GLN A 40 219.006 227.167 248.363 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA THR A 41 221.832 227.885 250.816 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 224.772 229.018 252.958 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA VAL A 43 225.659 232.280 254.715 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA PRO A 44 229.255 233.175 253.830 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA VAL A 45 229.478 235.682 250.970 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASN A 46 230.371 239.381 251.159 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLN A 47 232.213 242.216 249.402 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASN A 48 232.433 245.920 250.269 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 233.714 249.477 250.738 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA GLN A 50 234.796 252.983 251.766 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 234.963 256.711 252.531 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLN A 52 234.736 259.053 255.528 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA SER A 53 234.183 262.631 256.714 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 236.356 264.949 254.611 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 237.079 268.519 255.728 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ALA A 56 239.960 269.418 258.054 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 242.831 271.887 258.480 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLU A 58 241.408 274.798 260.484 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA SER A 59 238.755 276.473 258.322 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA ASP A 60 240.281 276.954 254.865 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ALA A 61 244.036 277.562 254.634 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 245.089 277.606 250.973 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA VAL A 63 246.023 281.142 249.906 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ASP A 64 248.194 283.357 247.693 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 250.051 286.160 245.900 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 251.227 288.176 242.889 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 254.818 288.600 241.691 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 256.676 285.285 241.958 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA PRO A 69 259.097 282.894 243.672 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA SER A 70 261.269 280.136 242.192 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASP A 71 259.424 276.991 241.087 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA GLU A 72 260.847 274.449 238.631 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA ALA A 73 263.513 272.426 236.810 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA THR A 74 266.423 270.323 235.535 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLU A 75 269.639 270.483 237.572 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA THR A 76 272.492 268.725 239.385 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA SER A 77 274.844 266.556 237.318 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ILE A 78 278.358 266.542 238.791 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA LYS A 79 281.224 266.892 236.305 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA SER A 80 281.833 269.748 233.857 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA VAL A 81 283.886 270.116 230.669 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ALA A 82 287.536 270.118 229.576 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA SER A 83 290.132 267.544 228.505 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA HIS A 84 289.712 264.137 226.851 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA PRO A 85 286.663 262.687 225.084 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLU A 86 285.703 259.001 225.168 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA LEU A 87 288.559 257.016 226.723 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA THR A 88 291.929 257.912 225.190 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ALA A 89 294.315 255.024 225.889 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 295.145 252.477 228.598 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA ASN A 91 293.389 253.383 231.856 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA ILE A 92 290.365 255.614 232.480 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA LYS A 93 286.817 256.461 233.582 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ALA A 94 286.901 259.449 235.945 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ALA A 95 288.953 262.193 234.280 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASP A 96 289.763 265.800 235.202 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA LEU A 97 293.495 266.482 234.848 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLN A 98 295.080 266.627 238.310 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ALA A 99 297.991 268.768 239.516 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLN A 100 298.164 272.381 238.317 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA PRO A 101 296.220 275.277 236.785 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA SER A 102 296.733 277.449 233.697 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 294.992 280.763 232.990 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA SER A 104 291.851 281.275 230.895 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA PRO A 105 290.240 278.006 229.785 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 287.141 277.409 231.920 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLY A 107 284.625 275.926 234.366 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA THR A 108 286.100 273.809 237.169 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLN A 109 283.822 271.682 239.361 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA PRO A 110 285.273 270.797 242.771 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA CYS A 111 287.781 271.625 245.517 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA THR A 112 289.708 269.486 248.012 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ALA A 113 290.389 266.114 246.376 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLY A 114 291.020 264.321 243.074 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA SER A 115 289.068 261.056 242.861 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA SER A 116 288.233 258.523 245.581 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA SER A 117 286.321 259.362 248.768 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA SER A 118 284.954 257.820 251.972 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA SER A 119 282.038 256.761 254.184 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA TRP A 120 282.125 256.887 257.991 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA GLY A 121 285.577 255.850 259.226 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA HIS A 122 288.214 258.574 258.845 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA PRO A 123 289.776 259.263 262.251 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA VAL A 124 287.147 260.950 264.432 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA TRP A 125 286.179 264.382 263.092 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA TRP A 126 289.002 266.735 262.087 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLY A 127 292.492 267.816 261.004 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA TRP A 128 293.733 267.089 257.476 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA SER A 129 291.803 267.772 254.263 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA ASP A 130 288.041 267.220 254.020 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ASN A 131 284.591 266.715 252.484 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA THR A 132 282.292 269.148 254.304 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA GLY A 133 279.416 269.884 256.692 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA CYS A 134 280.721 269.160 260.197 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA GLY A 135 283.679 271.447 260.927 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA GLN A 136 284.583 275.058 261.739 1.00 0.00 C
|
| 139 |
+
TER 137 GLN A 136
|
| 140 |
+
END
|
Fungi/A0A2P5I2C2/A0A2P5I2C2.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5173631f10102d84091c36f4f29bc2df811e149aa6fd17ad0b16775c7e46dbe5
|
| 3 |
+
size 9920276
|
Fungi/A0A2P5I2C2/top.pdb
ADDED
|
@@ -0,0 +1,80 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 252.032 235.513 270.369 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ALA A 2 249.751 233.843 272.923 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA VAL A 3 250.995 231.689 275.809 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PHE A 4 252.942 228.769 277.290 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 253.538 226.353 280.176 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA MET A 6 256.000 227.515 282.841 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ILE A 7 258.783 229.552 281.221 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 261.519 227.266 279.881 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ASN A 9 264.589 228.927 278.354 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA GLU A 10 265.776 232.494 277.738 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ARG A 11 265.489 234.282 274.385 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA PRO A 12 267.269 233.349 271.149 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA MET A 13 268.031 235.986 268.506 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA LEU A 14 264.832 237.431 267.024 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA TYR A 15 261.774 235.161 266.926 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA GLY A 16 259.915 233.492 264.050 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ARG A 17 260.290 233.409 260.259 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 258.184 235.805 258.175 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 256.479 233.859 255.379 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA TYR A 20 255.351 230.822 253.374 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ASN A 21 254.161 227.600 251.726 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA SER A 22 250.804 225.891 252.303 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA LYS A 23 248.143 225.085 254.907 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 246.193 227.639 256.954 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ASN A 25 247.202 228.971 260.377 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 247.618 232.526 261.684 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA GLY A 27 249.422 235.339 259.853 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASP A 28 249.348 239.122 260.295 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 252.652 240.395 258.888 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ASP A 30 254.297 243.466 257.345 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ASP A 31 258.001 244.359 257.304 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA LYS A 32 261.235 246.343 257.645 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASN A 33 264.371 247.616 259.395 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA GLN A 34 264.022 251.169 260.725 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLY A 35 264.330 254.841 259.756 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ARG A 36 264.927 257.543 257.136 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA SER A 37 264.109 261.200 256.449 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLY A 38 260.763 262.110 258.029 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA TYR A 39 258.119 259.475 257.269 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASN A 40 254.896 259.335 255.242 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 251.803 257.413 256.363 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LYS A 42 249.516 254.661 257.671 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA PRO A 43 248.705 252.270 254.818 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ASN A 44 247.229 250.386 251.854 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLY A 45 244.945 247.407 251.202 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ASP A 46 241.307 247.695 250.109 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ASP A 47 240.236 247.399 246.464 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 240.214 248.990 243.003 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASP A 49 243.360 247.715 241.272 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 244.961 249.713 238.450 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA LYS A 51 243.919 248.856 234.887 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ASN A 52 241.272 246.239 234.077 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLN A 53 237.613 247.171 233.565 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLY A 54 235.462 250.268 233.024 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ARG A 55 237.661 252.998 231.532 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 239.857 255.344 233.579 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLY A 57 243.172 257.191 233.245 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA TYR A 58 244.019 259.885 235.803 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASN A 59 243.682 263.070 237.867 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA SER A 60 244.049 266.451 239.583 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA LYS A 61 243.459 269.831 237.926 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 241.740 269.348 234.561 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ASP A 63 242.584 269.228 230.848 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA ASP A 64 242.953 272.428 228.813 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ASP A 65 240.198 274.007 226.708 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ASP A 66 238.755 272.814 223.390 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA LYS A 67 239.182 274.078 219.821 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ASP A 68 241.407 276.894 218.543 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ASN A 69 243.904 279.511 217.346 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA LYS A 70 245.366 282.515 219.178 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 244.592 282.915 222.887 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 241.227 282.712 224.662 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA LEU A 73 238.428 280.649 223.104 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ASN A 74 235.080 281.405 221.449 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA PHE A 75 231.461 281.738 222.590 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLU A 76 228.529 283.266 220.695 1.00 0.00 C
|
| 79 |
+
TER 77 GLU A 76
|
| 80 |
+
END
|
Fungi/A0A2P5IC55/A0A2P5IC55.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9a8ae6ca834740e7564c261cf218c4b16680cad28852a6ef301dd91b6f007233
|
| 3 |
+
size 20120276
|
Fungi/A0A2P5IC55/top.pdb
ADDED
|
@@ -0,0 +1,165 @@
|
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|
|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 253.430 242.371 310.296 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 252.391 244.178 307.106 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ASP A 3 252.808 242.376 303.776 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA VAL A 4 249.873 242.829 301.389 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA PHE A 5 247.033 242.108 298.954 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ARG A 6 246.249 242.920 295.315 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 247.708 245.226 292.656 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA ILE A 8 245.963 247.859 290.525 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA GLY A 9 244.456 250.722 288.514 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ARG A 10 246.004 254.200 288.662 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA GLY A 11 246.229 255.490 292.240 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLY A 12 248.799 254.054 294.658 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 249.640 251.389 297.248 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA GLY A 14 248.953 251.458 300.995 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA ASN A 15 247.885 253.313 304.147 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA PHE A 16 245.374 256.134 303.638 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ILE A 17 242.318 256.517 301.396 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA PRO A 18 242.678 254.258 298.349 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLU A 19 240.261 251.486 297.356 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 237.545 249.804 299.432 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA GLU A 21 233.822 249.618 298.641 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ILE A 22 232.948 251.561 295.482 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 232.959 255.249 296.436 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA GLU A 24 234.317 258.489 294.961 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 237.518 258.224 292.911 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA ALA A 26 241.244 258.956 293.220 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ARG A 27 242.124 261.102 290.198 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ALA A 28 244.446 262.462 287.501 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASN A 29 247.821 262.668 285.745 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 250.595 264.541 283.925 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA ALA A 31 253.431 263.719 281.516 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA GLN A 32 255.172 262.436 278.380 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 257.160 259.187 278.498 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 258.972 256.006 277.443 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA GLU A 35 258.463 254.565 273.953 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA ALA A 36 255.900 252.261 272.328 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 253.801 252.994 269.235 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA LYS A 38 253.070 252.542 265.523 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 252.658 252.423 261.737 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASP A 40 255.824 252.390 259.618 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA GLU A 41 254.920 252.420 255.917 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA HIS A 42 254.645 255.758 254.102 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 252.239 255.753 251.148 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA THR A 44 251.303 252.143 250.367 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA THR A 45 253.354 249.790 248.182 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA SER A 46 254.860 248.304 245.013 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 254.620 244.517 245.356 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA PRO A 48 253.962 241.581 243.020 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA LEU A 49 256.868 239.790 241.329 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA THR A 50 259.417 241.549 239.110 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ALA A 51 261.845 244.063 240.628 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA SER A 52 265.319 243.053 239.435 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ALA A 53 267.829 243.562 236.614 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA LEU A 54 271.321 242.317 235.736 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 274.283 244.705 235.939 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA SER A 56 277.982 243.825 236.187 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA HIS A 57 279.457 240.619 237.622 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PRO A 58 282.120 240.422 240.340 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA PRO A 59 285.170 238.522 239.073 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA GLN A 60 288.263 240.621 238.333 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA TYR A 61 287.376 244.125 239.537 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA VAL A 62 284.431 246.235 238.357 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 284.015 249.630 236.680 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 284.921 253.184 235.647 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLY A 65 282.057 255.131 234.060 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ARG A 66 278.636 256.557 233.174 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 276.116 253.711 232.918 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 273.590 251.008 233.831 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 271.881 249.056 231.041 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA GLY A 70 270.967 247.896 227.529 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ASN A 71 270.411 247.278 223.811 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA TYR A 72 269.538 248.263 220.235 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA THR A 73 266.124 249.259 218.870 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLU A 74 266.333 253.021 218.305 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA PRO A 75 265.824 256.491 216.817 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA PRO A 76 267.760 256.511 213.536 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA THR A 77 269.218 253.159 212.462 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ILE A 78 270.552 250.255 214.535 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA ALA A 79 273.483 251.654 216.527 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLU A 80 275.307 252.979 219.599 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ALA A 81 274.704 256.142 221.634 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLN A 82 271.323 256.537 223.346 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ASP A 83 268.120 254.849 224.532 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 264.909 253.716 226.241 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA GLN A 85 263.156 250.653 227.679 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA ASP A 86 260.165 251.496 229.884 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA VAL A 87 256.708 251.418 231.483 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA VAL A 88 255.507 254.849 232.624 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA GLU A 89 252.714 257.331 233.367 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ARG A 90 250.982 256.429 236.639 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA THR A 91 250.613 253.378 238.890 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA LYS A 92 247.380 251.695 237.777 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ALA A 93 245.673 250.123 240.798 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ALA A 94 243.759 251.732 243.673 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA VAL A 95 241.847 254.653 245.199 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA SER A 96 240.711 258.109 244.068 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ALA A 97 241.463 261.065 241.784 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA SER A 98 244.764 260.884 239.891 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLY A 99 247.661 263.342 239.597 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ALA A 100 251.385 263.811 240.246 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLY A 101 254.292 266.120 239.387 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA ARG A 102 257.203 265.286 237.075 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA PRO A 103 256.532 263.788 233.637 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ARG A 104 255.745 266.390 230.968 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ALA A 105 256.781 264.915 227.612 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA GLY A 106 260.277 263.403 227.533 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA PHE A 107 260.506 259.798 226.322 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA THR A 108 260.755 258.702 222.681 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA SER A 109 261.088 255.163 221.310 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ARG A 110 259.783 251.621 220.795 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLY A 111 256.329 250.507 221.956 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLY A 112 253.310 250.312 224.273 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ALA A 113 250.690 247.874 225.579 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLY A 114 248.575 249.718 228.157 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ASN A 115 249.378 252.506 230.626 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA TRP A 116 246.452 254.831 231.364 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA ALA A 117 243.681 255.467 233.901 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 240.723 253.794 235.625 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ASP A 119 239.119 251.111 237.803 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ALA A 120 236.641 252.636 240.261 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA PRO A 121 234.205 254.466 242.549 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ALA A 122 233.534 258.213 242.377 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA ASP A 123 231.530 261.205 241.133 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASP A 124 228.820 260.101 238.693 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA SER A 125 225.041 259.633 238.840 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA GLU A 126 222.894 258.639 241.826 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLU A 127 219.265 258.803 240.674 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA THR A 128 215.976 258.570 238.766 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA THR A 129 212.596 257.195 237.670 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA LYS A 130 210.396 256.172 240.607 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ARG A 131 209.272 252.913 242.229 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLN A 132 206.631 250.697 243.851 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA GLU A 133 204.725 247.470 243.164 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA ILE A 134 206.813 245.623 240.567 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ALA A 135 207.887 243.406 237.660 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ASP A 136 210.797 242.926 235.248 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA LYS A 137 214.371 241.744 235.834 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA VAL A 138 214.864 240.093 239.232 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA LYS A 139 217.690 237.624 239.889 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA GLN A 140 219.630 237.884 243.158 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ASP A 141 222.943 238.003 245.037 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ILE A 142 223.653 239.221 248.576 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA ASN A 143 227.244 240.225 249.356 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA SER A 144 230.008 241.095 246.881 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA SER A 145 233.709 240.348 246.375 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA LEU A 146 235.746 237.583 244.725 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA PRO A 147 234.360 234.044 244.457 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA PRO A 148 235.452 230.588 243.282 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA PRO A 149 237.333 228.086 245.454 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA PRO A 150 241.047 227.890 244.628 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA LYS A 151 244.633 226.652 244.271 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA THR A 152 247.463 224.152 243.762 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA TYR A 153 250.835 225.921 243.648 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA HIS A 154 253.926 227.526 245.193 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA GLN A 155 255.038 230.804 243.602 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA HIS A 156 256.745 234.154 244.221 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ASP A 157 258.977 236.492 246.236 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA ARG A 158 258.619 238.572 249.409 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA ASP A 159 254.918 239.454 249.614 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA MET A 160 252.417 238.954 252.445 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA GLU A 161 250.435 241.904 253.817 1.00 0.00 C
|
| 164 |
+
TER 162 GLU A 161
|
| 165 |
+
END
|
Fungi/A0A2R6NK12/A0A2R6NK12.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1f917084caa28cf4a29181568c41fd836a0069248d5dbb164d0eb191fbef25c5
|
| 3 |
+
size 40440276
|
Fungi/A0A2R6NK12/top.pdb
ADDED
|
@@ -0,0 +1,222 @@
|
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|
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|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-07
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 196.384 228.076 247.855 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA ASP A 2 198.451 229.153 244.841 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ARG A 3 197.321 232.277 242.975 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PRO A 4 194.785 235.113 242.775 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA SER A 5 191.304 233.907 241.805 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA THR A 6 188.929 231.743 239.756 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA SER A 7 187.936 229.658 236.726 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 184.356 228.483 237.290 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 181.759 226.019 238.593 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 180.947 222.317 238.985 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA PHE A 11 177.755 221.126 240.691 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA THR A 12 173.994 220.818 241.212 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ALA A 13 172.372 221.419 244.607 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 171.061 224.300 246.727 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLY A 15 168.757 223.064 249.499 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 165.778 225.346 250.159 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA PRO A 17 166.093 228.432 247.947 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA SER A 18 168.760 229.784 245.585 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA THR A 19 170.712 232.442 243.678 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 171.805 231.184 240.252 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ARG A 21 174.717 228.912 239.317 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA PRO A 22 175.919 227.453 242.625 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA THR A 23 176.895 227.305 246.305 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA THR A 24 179.402 224.465 246.713 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA ALA A 25 183.170 224.674 246.189 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 184.173 221.510 244.319 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 187.076 219.457 242.949 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA TYR A 28 190.700 220.547 243.389 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA PRO A 29 192.589 220.835 246.685 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 196.281 221.642 247.164 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA TYR A 31 198.359 221.257 243.994 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA PHE A 32 201.994 221.094 242.862 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 202.722 217.789 241.111 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASN A 34 202.158 215.108 243.759 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA HIS A 35 204.773 212.339 243.656 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 208.324 212.811 242.358 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA GLN A 37 211.589 213.582 244.164 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA TYR A 38 211.482 216.465 246.652 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA THR A 39 214.504 218.671 245.929 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA SER A 40 217.311 216.441 244.639 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA TYR A 41 218.682 215.301 241.272 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 220.555 217.589 238.869 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLN A 43 222.073 221.045 239.384 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA GLU A 44 220.224 224.263 238.522 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA TYR A 45 219.308 227.888 237.791 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA THR A 46 216.368 230.223 237.141 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA ALA A 47 213.758 232.680 238.434 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA GLY A 48 213.107 235.754 236.279 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 210.812 238.794 236.211 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 212.609 242.024 237.137 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLU A 51 215.674 243.693 238.663 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ASP A 52 219.372 243.763 239.579 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA GLU A 53 222.972 243.787 238.332 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA GLU A 54 225.570 241.450 239.849 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 226.491 242.355 243.434 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 230.074 243.403 244.194 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 232.805 242.069 246.491 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLU A 58 234.747 239.119 245.062 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ASP A 59 233.378 237.088 242.143 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA VAL A 60 233.463 233.429 243.199 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA PHE A 61 232.142 232.646 246.686 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA ALA A 62 231.151 229.203 247.982 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA PHE A 63 231.680 225.740 249.480 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLY A 64 235.002 224.448 248.133 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 236.202 223.168 244.751 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA PRO A 66 239.858 223.133 243.680 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ALA A 67 241.928 225.773 241.874 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA THR A 68 244.710 228.219 240.980 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ALA A 69 245.776 231.844 241.464 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASP A 70 245.506 235.530 240.538 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA PRO A 71 248.482 236.308 238.290 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA VAL A 72 249.561 239.443 236.412 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLN A 73 247.233 241.523 234.228 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ARG A 74 246.924 240.791 230.502 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA PRO A 75 244.267 241.787 227.959 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA SER A 76 242.982 242.356 224.418 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA PRO A 77 245.913 241.595 222.107 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA THR A 78 248.925 239.264 222.232 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA SER A 79 252.226 237.363 222.312 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ALA A 80 251.859 233.651 221.540 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA VAL A 81 249.689 230.680 222.528 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA PRO A 82 247.983 227.655 224.097 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA LEU A 83 249.304 224.133 223.495 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ILE A 84 248.769 220.819 221.693 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA SER A 85 246.199 218.803 223.654 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA PRO A 86 243.837 221.420 225.100 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA SER A 87 242.103 224.302 226.890 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA VAL A 88 238.412 223.360 226.851 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA SER A 89 235.762 221.671 224.697 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PHE A 90 232.137 220.800 225.481 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PRO A 91 230.808 217.839 223.486 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA PRO A 92 232.992 214.825 222.673 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA PRO A 93 233.988 212.135 225.181 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA THR A 94 234.809 212.979 228.804 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA PHE A 95 235.884 211.193 231.994 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASP A 96 235.098 212.424 235.513 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA PRO A 97 231.339 213.045 235.573 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA HIS A 98 227.941 212.030 236.966 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA ALA A 99 224.306 212.937 237.658 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA PRO A 100 222.717 213.098 234.200 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA TYR A 101 219.439 214.310 232.681 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA PRO A 102 218.503 217.999 232.854 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA ASN A 103 216.783 221.300 233.666 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ILE A 104 216.310 223.054 230.316 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA SER A 105 218.680 226.034 230.187 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA SER A 106 217.176 229.534 230.176 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ILE A 107 216.944 230.866 226.614 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLY A 108 216.681 234.486 225.455 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA PRO A 109 219.397 236.427 227.290 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA SER A 110 222.646 236.282 229.275 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA SER A 111 225.651 238.291 230.480 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA LEU A 112 228.381 240.904 229.998 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA HIS A 113 231.890 241.731 231.230 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA THR A 114 233.795 244.017 233.610 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ARG A 115 235.042 247.594 234.010 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA HIS A 116 231.936 249.699 234.669 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA PRO A 117 231.173 252.292 237.355 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA TYR A 118 232.608 251.546 240.804 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA PRO A 119 231.932 253.361 244.085 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA MET A 120 234.468 255.329 246.138 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA SER A 121 235.981 258.750 245.417 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA PRO A 122 239.611 259.818 244.967 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLN A 123 240.163 263.353 246.279 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA VAL A 124 241.307 265.127 249.450 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA GLU A 125 244.901 266.384 249.575 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA SER A 126 247.923 267.809 247.743 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA PRO A 127 247.481 269.513 244.364 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA PRO A 128 246.963 270.159 240.645 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA SER A 129 248.002 273.222 238.632 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA THR A 130 246.770 272.657 235.071 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLU A 131 246.303 269.457 233.057 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA SER A 132 249.292 267.223 232.287 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA HIS A 133 252.372 265.632 230.707 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA SER A 134 253.444 262.027 231.315 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ASP A 135 254.206 260.415 234.682 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ASP A 136 254.354 262.808 237.643 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA PRO A 137 252.480 265.960 238.677 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA TYR A 138 253.140 269.354 240.278 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ARG A 139 255.333 272.353 239.435 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA MET A 140 258.323 274.708 239.250 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 259.334 276.321 242.551 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA ARG A 142 261.514 274.009 244.652 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA MET A 143 263.075 273.311 248.057 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA MET A 144 261.990 270.285 250.103 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA GLN A 145 259.714 267.657 251.661 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA PRO A 146 260.828 265.941 254.875 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA ALA A 147 260.612 262.265 255.850 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA SER A 148 262.465 259.390 257.529 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA PRO A 149 263.815 256.683 259.845 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA THR A 150 266.973 257.511 261.809 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA THR A 151 267.319 257.051 265.575 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ASN A 152 268.905 259.976 267.431 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA THR A 153 272.595 259.051 267.636 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA THR A 154 275.677 258.451 269.795 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA ARG A 155 279.393 257.879 269.179 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA THR A 156 282.992 257.522 267.982 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA GLY A 157 285.560 258.876 265.514 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA THR A 158 288.887 257.041 265.789 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA VAL A 159 292.315 256.407 267.326 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA HIS A 160 295.206 254.496 268.910 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA THR A 161 297.842 254.191 271.644 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA GLY A 162 301.538 254.827 272.314 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA GLY A 163 304.772 252.956 271.572 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA ARG A 164 307.519 255.186 270.157 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA SER A 165 307.988 258.962 270.338 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA ALA A 166 308.898 259.959 273.901 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA VAL A 167 307.734 263.063 275.778 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA SER A 168 305.036 264.981 277.665 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA SER A 169 303.360 268.199 276.502 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA ALA A 170 305.857 271.059 276.185 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA VAL A 171 308.690 270.557 273.686 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA SER A 172 308.022 267.698 271.258 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA SER A 173 306.084 268.278 268.029 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA ARG A 174 304.842 265.315 265.980 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA GLU A 175 302.284 262.535 266.473 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA VAL A 176 300.037 260.333 268.623 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA HIS A 177 299.410 261.575 272.170 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA VAL A 178 298.369 264.191 274.737 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA SER A 179 295.757 266.685 275.950 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA LEU A 180 295.537 269.355 273.241 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA PRO A 181 295.431 273.160 273.412 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA ARG A 182 297.322 275.078 270.716 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA THR A 183 299.454 278.048 271.784 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA ARG A 184 299.530 281.485 270.142 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA ASP A 185 297.294 284.410 271.122 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA ARG A 186 299.251 287.077 273.014 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA ILE A 187 300.207 285.607 276.397 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA GLU A 188 302.828 282.993 277.298 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA GLU A 189 305.316 280.710 275.532 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA GLU A 190 309.014 280.602 274.622 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA GLN A 191 310.436 283.984 273.596 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA LEU A 192 311.850 285.399 270.354 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA ASP A 193 309.306 286.107 267.607 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA ASP A 194 306.447 288.201 266.207 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA LEU A 195 305.528 290.708 268.925 1.00 0.00 C
|
| 198 |
+
ATOM 196 CA GLN A 196 305.485 288.640 272.124 1.00 0.00 C
|
| 199 |
+
ATOM 197 CA LYS A 197 306.674 288.604 275.744 1.00 0.00 C
|
| 200 |
+
ATOM 198 CA THR A 198 310.031 290.399 275.906 1.00 0.00 C
|
| 201 |
+
ATOM 199 CA ARG A 199 310.043 294.184 276.337 1.00 0.00 C
|
| 202 |
+
ATOM 200 CA PRO A 200 311.816 295.648 279.375 1.00 0.00 C
|
| 203 |
+
ATOM 201 CA PRO A 201 315.624 295.538 279.461 1.00 0.00 C
|
| 204 |
+
ATOM 202 CA SER A 202 318.136 293.442 281.412 1.00 0.00 C
|
| 205 |
+
ATOM 203 CA SER A 203 321.909 293.458 280.880 1.00 0.00 C
|
| 206 |
+
ATOM 204 CA ALA A 204 324.060 296.326 282.170 1.00 0.00 C
|
| 207 |
+
ATOM 205 CA THR A 205 323.604 300.025 282.960 1.00 0.00 C
|
| 208 |
+
ATOM 206 CA SER A 206 321.151 302.927 282.685 1.00 0.00 C
|
| 209 |
+
ATOM 207 CA PHE A 207 321.211 306.725 282.382 1.00 0.00 C
|
| 210 |
+
ATOM 208 CA PRO A 208 324.261 308.967 282.813 1.00 0.00 C
|
| 211 |
+
ATOM 209 CA SER A 209 323.148 311.889 284.990 1.00 0.00 C
|
| 212 |
+
ATOM 210 CA LEU A 210 324.507 312.833 288.422 1.00 0.00 C
|
| 213 |
+
ATOM 211 CA ASP A 211 326.014 315.127 291.065 1.00 0.00 C
|
| 214 |
+
ATOM 212 CA SER A 212 329.589 316.085 290.162 1.00 0.00 C
|
| 215 |
+
ATOM 213 CA ALA A 213 332.328 313.738 288.934 1.00 0.00 C
|
| 216 |
+
ATOM 214 CA SER A 214 333.587 314.262 285.376 1.00 0.00 C
|
| 217 |
+
ATOM 215 CA ALA A 215 335.234 314.193 281.942 1.00 0.00 C
|
| 218 |
+
ATOM 216 CA SER A 216 333.892 311.798 279.300 1.00 0.00 C
|
| 219 |
+
ATOM 217 CA ILE A 217 330.856 309.501 279.143 1.00 0.00 C
|
| 220 |
+
ATOM 218 CA LYS A 218 329.257 307.635 276.231 1.00 0.00 C
|
| 221 |
+
TER 219 LYS A 218
|
| 222 |
+
END
|
Fungi/A0A2R6PG11/A0A2R6PG11.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3aae71fbe346f9b20de43d600a0b98fb836560ea390e338cefb4f28324498910
|
| 3 |
+
size 21800276
|
Fungi/A0A2R6PG11/top.pdb
ADDED
|
@@ -0,0 +1,179 @@
|
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|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 240.160 275.822 228.149 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLN A 2 240.488 277.470 231.568 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 238.657 277.880 234.884 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA LEU A 4 240.021 277.064 238.346 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLN A 5 243.525 275.979 239.377 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA GLY A 6 245.844 274.825 236.582 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 244.566 271.391 235.539 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 245.205 268.579 238.029 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ARG A 9 244.872 266.487 241.196 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA PRO A 10 245.842 265.441 244.729 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA SER A 11 249.507 265.336 245.764 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA SER A 12 251.129 262.674 243.573 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 249.756 262.197 240.052 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PHE A 14 247.885 259.213 238.597 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA SER A 15 245.450 257.552 241.011 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ARG A 16 241.714 258.213 241.359 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ASN A 17 238.563 256.668 239.875 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ARG A 18 237.002 253.280 239.103 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA PRO A 19 237.580 249.924 237.395 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ASP A 20 236.484 246.528 238.732 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA SER A 21 235.105 243.369 240.354 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA THR A 22 233.076 243.234 243.576 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ASP A 23 231.734 242.450 247.055 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 230.383 242.165 250.606 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PHE A 25 232.252 243.397 253.690 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA GLY A 26 235.624 244.566 252.356 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 239.294 245.116 251.494 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ASN A 28 241.847 246.195 248.880 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA VAL A 29 239.766 247.565 245.998 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA GLU A 30 236.836 249.977 246.333 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLN A 31 233.324 248.900 247.342 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASP A 32 230.846 251.354 245.808 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASP A 33 230.098 254.915 244.680 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ARG A 34 231.375 257.647 242.351 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA SER A 35 228.524 258.989 240.209 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 228.460 260.502 236.713 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA LEU A 37 232.094 261.102 235.738 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA VAL A 38 233.686 262.763 232.701 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA ASN A 39 234.651 260.719 229.633 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA PRO A 40 233.254 261.717 226.232 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA SER A 41 230.280 261.907 223.858 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 227.222 262.980 225.862 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA ALA A 43 225.730 265.837 223.833 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA VAL A 44 224.984 264.692 220.276 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA GLU A 45 225.157 261.437 218.304 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLY A 46 225.833 260.235 214.752 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA THR A 47 227.229 262.932 212.452 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ARG A 48 229.496 265.036 214.677 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA SER A 49 229.119 268.674 213.610 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 231.160 270.779 216.042 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 234.154 268.831 217.366 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ALA A 52 234.192 268.687 221.173 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA THR A 53 236.669 271.135 222.718 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 239.124 272.994 220.475 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 242.813 273.131 221.416 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA ILE A 56 244.870 276.021 222.808 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA SER A 57 246.176 277.371 226.122 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA ILE A 58 246.384 275.825 229.598 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ALA A 59 248.704 273.029 230.747 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA THR A 60 251.410 270.389 230.275 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA SER A 61 254.240 270.773 232.797 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA SER A 62 255.938 269.937 236.103 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ARG A 63 253.987 269.736 239.369 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA SER A 64 250.853 271.799 238.705 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA ALA A 65 251.007 274.678 241.196 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA SER A 66 252.242 275.900 244.586 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA ARG A 67 254.362 279.062 244.746 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA ALA A 68 258.071 279.937 244.761 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA GLY A 69 260.788 277.796 246.357 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ALA A 70 263.503 276.951 243.820 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA VAL A 71 263.692 275.946 240.150 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA SER A 72 260.548 276.985 238.267 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 259.457 275.192 235.087 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 260.471 272.235 232.909 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ARG A 75 262.652 270.382 230.394 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA THR A 76 265.408 269.022 228.143 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA VAL A 77 264.220 265.538 227.158 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA VAL A 78 262.996 265.272 223.560 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA SER A 79 264.324 266.235 220.120 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ARG A 80 267.949 267.363 220.433 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA ALA A 81 270.106 267.248 217.294 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLU A 82 269.754 263.665 216.047 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA SER A 83 270.560 260.551 214.006 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 272.319 257.368 215.143 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA HIS A 85 274.351 257.308 218.366 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA THR A 86 275.272 255.957 221.807 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA THR A 87 272.149 254.601 223.516 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ASN A 88 272.117 251.153 225.136 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA HIS A 89 268.879 249.647 226.464 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ALA A 90 267.778 250.085 230.085 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA VAL A 91 267.308 246.809 231.973 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 268.405 243.263 232.833 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA HIS A 93 265.375 240.958 232.676 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA ASP A 94 263.895 239.615 229.432 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA SER A 95 261.301 236.843 229.761 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA GLN A 96 260.041 234.285 232.288 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA THR A 97 259.484 234.843 236.016 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA GLY A 98 259.644 236.452 239.466 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA SER A 99 260.490 234.265 242.468 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ARG A 100 262.374 232.112 244.985 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA TYR A 101 265.254 230.804 247.109 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA SER A 102 264.822 230.925 250.892 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA PRO A 103 265.223 228.791 254.023 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA LEU A 104 262.643 228.155 256.753 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA SER A 105 260.354 230.777 258.303 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA PRO A 106 260.477 234.295 259.760 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 262.748 235.759 262.446 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA LEU A 108 266.246 236.798 263.543 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA PHE A 109 269.367 234.687 264.106 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 272.031 236.376 266.242 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ARG A 111 275.042 237.236 264.072 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA LYS A 112 275.129 240.604 262.293 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA SER A 113 274.791 243.425 264.832 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA GLN A 114 272.585 242.519 267.803 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ILE A 115 268.983 243.726 268.096 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ASN A 116 265.286 244.220 268.875 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLU A 117 264.914 245.138 272.554 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 266.619 248.385 273.585 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLU A 119 267.044 250.540 276.698 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA ASP A 120 268.891 253.653 275.509 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA LEU A 121 268.674 256.786 277.666 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA PHE A 122 265.303 256.858 279.440 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA SER A 123 262.485 256.788 282.004 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA ASP A 124 261.065 254.284 284.499 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ALA A 125 259.601 250.972 285.684 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA ASP A 126 256.298 250.831 287.579 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA TRP A 127 255.231 247.652 289.386 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA SER A 128 256.834 247.784 292.840 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA HIS A 129 256.535 245.606 295.952 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA MET A 130 259.610 243.429 296.517 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA ASP A 131 262.168 240.619 296.237 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA ASP A 132 265.472 239.319 297.620 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA PRO A 133 265.562 235.639 296.637 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA PHE A 134 263.312 232.951 298.128 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ALA A 135 260.181 231.833 296.267 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA ASN A 136 256.770 231.931 294.573 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA PRO A 137 255.215 234.421 292.144 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ASN A 138 251.513 234.223 291.265 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ALA A 139 250.704 230.548 290.669 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA ARG A 140 249.282 227.078 291.344 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA SER A 141 249.005 223.469 290.156 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA VAL A 142 248.599 220.666 287.607 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA ASP A 143 245.977 217.922 287.276 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA LEU A 144 242.839 216.859 285.395 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA ASP A 145 241.760 216.303 281.783 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA PRO A 146 244.551 217.820 279.679 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA ASP A 147 244.418 216.683 276.045 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA VAL A 148 245.602 219.452 273.712 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA ARG A 149 248.025 222.391 273.615 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA ASP A 150 248.342 226.146 274.180 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA ALA A 151 249.295 226.658 277.833 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA THR A 152 247.831 228.118 281.033 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA SER A 153 245.749 228.509 284.200 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLU A 154 241.975 228.261 283.741 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA TYR A 155 240.692 229.606 280.415 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA GLY A 156 237.518 230.288 278.421 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA VAL A 157 234.938 227.796 277.135 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA GLY A 158 232.912 226.798 274.067 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA GLY A 159 230.006 228.864 272.726 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA GLN A 160 231.178 231.409 270.144 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA ALA A 161 231.864 232.588 266.587 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA GLN A 162 232.638 234.389 263.319 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA GLY A 163 234.361 236.413 260.590 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA LYS A 164 234.165 239.080 257.876 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA TYR A 165 237.079 238.393 255.519 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA SER A 166 235.977 235.329 253.541 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA LEU A 167 237.973 234.493 250.405 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA LEU A 168 240.028 235.447 247.342 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA GLN A 169 239.215 238.269 244.915 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA LYS A 170 241.012 239.992 242.030 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA MET A 171 242.379 237.997 239.086 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA ARG A 172 246.111 238.462 238.478 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA GLY A 173 249.602 236.943 238.329 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA ARG A 174 249.656 233.270 239.338 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA SER A 175 250.970 229.699 239.138 1.00 0.00 C
|
| 178 |
+
TER 176 SER A 175
|
| 179 |
+
END
|
Fungi/A0A2S4PHZ3/A0A2S4PHZ3.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5d4dc7fac3ee54486024e4d64cb62d7db8194f6b85bfac2d395374849e8d3f03
|
| 3 |
+
size 38280276
|
Fungi/A0A2S4PHZ3/top.pdb
ADDED
|
@@ -0,0 +1,210 @@
|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 254.684 229.789 181.952 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA SER A 2 252.457 231.170 184.718 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA GLU A 3 252.964 234.544 186.412 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 252.977 234.112 190.197 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLU A 5 249.998 233.669 192.531 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA ALA A 6 247.583 231.716 194.737 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA VAL A 7 248.607 228.143 195.576 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA PRO A 8 247.004 225.555 193.285 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA ALA A 9 245.856 222.342 194.981 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA VAL A 10 246.126 219.963 197.945 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 249.794 219.278 198.717 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA ALA A 12 252.148 219.289 201.712 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 254.682 216.445 201.639 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA PRO A 14 255.792 213.039 200.343 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA LYS A 15 259.452 212.846 199.303 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA LYS A 16 262.343 214.977 200.575 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 262.363 218.746 200.020 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 260.879 219.269 196.551 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA ALA A 19 260.174 217.268 193.386 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA LYS A 20 256.901 217.836 191.520 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA ALA A 21 253.523 219.467 192.187 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA ALA A 22 250.285 219.993 190.249 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA ALA A 23 248.064 220.218 187.161 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA ALA A 24 246.154 223.241 185.847 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA LYS A 25 246.541 227.031 185.879 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 246.881 230.485 187.451 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA PRO A 27 245.975 233.981 186.239 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ARG A 28 242.653 233.521 184.430 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ALA A 29 238.981 234.525 184.564 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA LYS A 30 236.909 231.794 182.901 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA PRO A 31 233.522 231.466 184.614 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ALA A 32 229.797 231.968 185.236 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA HIS A 33 229.195 235.472 186.604 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA PRO A 34 228.463 238.748 188.406 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LYS A 35 229.825 241.989 189.877 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA THR A 36 232.221 244.440 188.213 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 233.699 242.784 185.117 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA ASP A 38 237.016 241.199 184.116 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA MET A 39 240.345 243.035 184.375 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA VAL A 40 241.520 246.553 183.503 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASN A 41 241.812 249.313 186.113 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA SER A 42 243.178 252.207 188.180 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 245.377 255.044 189.458 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA ILE A 44 247.847 254.685 192.336 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA LYS A 45 251.530 254.627 193.313 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA ALA A 46 251.887 255.440 197.018 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LEU A 47 251.731 254.800 200.770 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 250.245 254.558 204.270 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLU A 49 250.673 256.796 207.324 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ARG A 50 247.862 255.785 209.688 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLY A 51 248.493 257.728 212.904 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 249.913 259.909 215.686 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 248.448 262.235 218.325 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ARG A 54 248.835 266.011 217.998 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA ARG A 55 247.929 269.705 218.227 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLU A 56 250.996 271.915 218.704 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA ALA A 57 253.489 274.710 219.401 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA LEU A 58 255.741 277.679 218.609 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA ALA A 59 257.189 281.068 219.577 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LEU A 60 256.936 284.283 221.606 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA HIS A 61 259.363 285.745 224.153 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLN A 62 259.469 283.517 227.243 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA GLU A 63 260.883 282.770 230.701 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA VAL A 64 263.089 282.149 233.745 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA PRO A 65 262.401 284.404 236.738 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA GLU A 66 264.839 286.250 239.011 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLY A 67 267.575 288.850 238.495 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLY A 68 266.367 292.426 239.014 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 265.308 294.494 235.994 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 262.931 292.469 233.811 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA ARG A 71 261.872 289.736 231.378 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 258.110 289.146 231.265 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA PRO A 73 254.819 290.950 231.920 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ALA A 74 251.640 292.562 230.573 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ARG A 75 249.837 290.262 228.129 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA PRO A 76 248.725 286.911 229.560 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ASP A 77 249.520 286.223 233.222 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA GLN A 78 252.391 283.824 233.941 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLY A 79 251.236 280.210 233.588 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA GLN A 80 253.451 277.392 232.297 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLY A 81 254.969 273.909 232.578 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA ARG A 82 252.775 270.802 232.347 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA LEU A 83 253.588 267.802 230.143 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 251.619 266.932 226.999 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA LEU A 85 249.305 267.037 223.975 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LEU A 86 246.530 264.445 224.278 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLN A 87 243.856 261.740 224.513 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA ALA A 88 241.551 260.882 227.423 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ARG A 89 240.734 262.319 230.855 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA HIS A 90 242.606 260.273 233.468 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLN A 91 243.542 257.143 235.427 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA GLY A 92 245.132 253.688 235.198 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA GLN A 93 242.209 251.268 235.548 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 240.140 248.228 234.554 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA ARG A 95 241.061 244.545 234.234 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ALA A 96 238.858 241.437 234.156 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLY A 97 240.905 238.601 235.667 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA ARG A 98 240.972 236.484 238.835 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA GLN A 99 240.143 234.782 242.141 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA GLU A 100 241.336 231.164 242.198 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLY A 101 240.855 228.629 245.001 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA GLU A 102 242.018 229.783 248.440 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA GLU A 103 243.836 232.009 250.942 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA ALA A 104 243.560 234.690 253.635 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 243.412 235.608 257.330 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA CYS A 106 243.974 233.639 260.542 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA ARG A 107 243.937 235.687 263.755 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLU A 108 244.808 239.346 263.150 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA GLU A 109 241.596 240.895 261.807 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ALA A 110 238.372 240.896 259.778 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA GLN A 111 236.131 239.903 256.861 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA GLY A 112 234.335 237.470 254.543 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ARG A 113 232.623 234.185 255.433 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ARG A 114 234.162 232.072 258.205 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLN A 115 231.466 229.803 259.655 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ARG A 116 231.343 226.315 258.128 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA GLU A 117 230.782 222.671 259.086 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLU A 118 231.654 219.167 257.869 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA GLY A 119 235.324 218.269 258.356 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA GLN A 120 238.462 218.507 260.504 1.00 0.00 C
|
| 123 |
+
ATOM 121 CA ALA A 121 237.545 221.012 263.224 1.00 0.00 C
|
| 124 |
+
ATOM 122 CA ARG A 122 234.983 222.680 265.498 1.00 0.00 C
|
| 125 |
+
ATOM 123 CA GLN A 123 235.107 225.855 267.601 1.00 0.00 C
|
| 126 |
+
ATOM 124 CA GLU A 124 231.491 226.417 268.663 1.00 0.00 C
|
| 127 |
+
ATOM 125 CA ALA A 125 227.685 226.574 268.759 1.00 0.00 C
|
| 128 |
+
ATOM 126 CA LEU A 126 225.078 229.299 269.301 1.00 0.00 C
|
| 129 |
+
ATOM 127 CA GLY A 127 223.569 232.056 267.148 1.00 0.00 C
|
| 130 |
+
ATOM 128 CA ARG A 128 222.074 234.788 264.953 1.00 0.00 C
|
| 131 |
+
ATOM 129 CA ARG A 129 220.559 237.524 262.776 1.00 0.00 C
|
| 132 |
+
ATOM 130 CA GLN A 130 218.770 237.175 259.431 1.00 0.00 C
|
| 133 |
+
ATOM 131 CA GLU A 131 215.353 237.288 257.749 1.00 0.00 C
|
| 134 |
+
ATOM 132 CA GLY A 132 213.058 234.884 259.613 1.00 0.00 C
|
| 135 |
+
ATOM 133 CA ARG A 133 211.819 231.863 261.575 1.00 0.00 C
|
| 136 |
+
ATOM 134 CA CYS A 134 212.182 229.489 264.533 1.00 0.00 C
|
| 137 |
+
ATOM 135 CA ARG A 135 212.306 230.441 268.220 1.00 0.00 C
|
| 138 |
+
ATOM 136 CA GLN A 136 212.417 233.721 270.156 1.00 0.00 C
|
| 139 |
+
ATOM 137 CA GLU A 137 212.947 237.383 271.063 1.00 0.00 C
|
| 140 |
+
ATOM 138 CA ALA A 138 215.546 240.022 270.168 1.00 0.00 C
|
| 141 |
+
ATOM 139 CA ASP A 139 217.765 243.118 270.105 1.00 0.00 C
|
| 142 |
+
ATOM 140 CA PRO A 140 221.025 244.700 268.927 1.00 0.00 C
|
| 143 |
+
ATOM 141 CA ARG A 141 223.680 246.514 266.884 1.00 0.00 C
|
| 144 |
+
ATOM 142 CA GLY A 142 226.859 248.206 268.129 1.00 0.00 C
|
| 145 |
+
ATOM 143 CA ARG A 143 229.935 245.959 268.100 1.00 0.00 C
|
| 146 |
+
ATOM 144 CA GLN A 144 233.470 246.089 266.684 1.00 0.00 C
|
| 147 |
+
ATOM 145 CA GLU A 145 236.625 247.147 268.540 1.00 0.00 C
|
| 148 |
+
ATOM 146 CA ALA A 146 235.654 247.094 272.224 1.00 0.00 C
|
| 149 |
+
ATOM 147 CA SER A 147 236.785 250.299 273.946 1.00 0.00 C
|
| 150 |
+
ATOM 148 CA ARG A 148 236.402 253.207 276.377 1.00 0.00 C
|
| 151 |
+
ATOM 149 CA ARG A 149 238.806 255.640 278.055 1.00 0.00 C
|
| 152 |
+
ATOM 150 CA GLU A 150 242.099 255.352 276.162 1.00 0.00 C
|
| 153 |
+
ATOM 151 CA GLU A 151 243.932 252.312 277.546 1.00 0.00 C
|
| 154 |
+
ATOM 152 CA ALA A 152 243.832 248.612 278.448 1.00 0.00 C
|
| 155 |
+
ATOM 153 CA GLN A 153 243.418 246.530 281.612 1.00 0.00 C
|
| 156 |
+
ATOM 154 CA GLY A 154 246.214 245.894 284.121 1.00 0.00 C
|
| 157 |
+
ATOM 155 CA GLY A 155 247.871 242.888 285.773 1.00 0.00 C
|
| 158 |
+
ATOM 156 CA SER A 156 248.881 243.353 289.417 1.00 0.00 C
|
| 159 |
+
ATOM 157 CA ARG A 157 250.062 246.662 290.890 1.00 0.00 C
|
| 160 |
+
ATOM 158 CA PRO A 158 252.547 248.829 292.801 1.00 0.00 C
|
| 161 |
+
ATOM 159 CA GLN A 159 251.853 251.792 295.093 1.00 0.00 C
|
| 162 |
+
ATOM 160 CA GLU A 160 254.718 254.295 295.295 1.00 0.00 C
|
| 163 |
+
ATOM 161 CA GLY A 161 254.836 257.964 296.317 1.00 0.00 C
|
| 164 |
+
ATOM 162 CA GLN A 162 253.589 260.733 298.618 1.00 0.00 C
|
| 165 |
+
ATOM 163 CA VAL A 163 255.477 264.033 298.856 1.00 0.00 C
|
| 166 |
+
ATOM 164 CA SER A 164 257.997 263.630 301.686 1.00 0.00 C
|
| 167 |
+
ATOM 165 CA GLN A 165 260.719 265.904 303.078 1.00 0.00 C
|
| 168 |
+
ATOM 166 CA GLN A 166 263.439 267.555 305.173 1.00 0.00 C
|
| 169 |
+
ATOM 167 CA GLY A 167 262.648 271.241 305.724 1.00 0.00 C
|
| 170 |
+
ATOM 168 CA GLU A 168 263.030 275.027 305.550 1.00 0.00 C
|
| 171 |
+
ATOM 169 CA GLU A 169 259.907 276.911 306.652 1.00 0.00 C
|
| 172 |
+
ATOM 170 CA GLY A 170 256.155 277.426 307.069 1.00 0.00 C
|
| 173 |
+
ATOM 171 CA ASP A 171 254.059 280.469 307.997 1.00 0.00 C
|
| 174 |
+
ATOM 172 CA GLN A 172 252.984 281.745 311.422 1.00 0.00 C
|
| 175 |
+
ATOM 173 CA GLY A 173 254.806 281.068 314.699 1.00 0.00 C
|
| 176 |
+
ATOM 174 CA PRO A 174 256.409 280.108 318.019 1.00 0.00 C
|
| 177 |
+
ATOM 175 CA GLY A 175 260.176 279.546 318.115 1.00 0.00 C
|
| 178 |
+
ATOM 176 CA ARG A 176 260.678 276.028 316.740 1.00 0.00 C
|
| 179 |
+
ATOM 177 CA GLN A 177 260.343 273.472 313.935 1.00 0.00 C
|
| 180 |
+
ATOM 178 CA GLU A 178 258.697 270.086 314.518 1.00 0.00 C
|
| 181 |
+
ATOM 179 CA ALA A 179 259.952 266.865 312.915 1.00 0.00 C
|
| 182 |
+
ATOM 180 CA GLN A 180 263.732 266.448 313.153 1.00 0.00 C
|
| 183 |
+
ATOM 181 CA GLY A 181 267.301 265.155 313.484 1.00 0.00 C
|
| 184 |
+
ATOM 182 CA ALA A 182 269.345 268.152 314.650 1.00 0.00 C
|
| 185 |
+
ATOM 183 CA GLN A 183 272.250 269.544 316.683 1.00 0.00 C
|
| 186 |
+
ATOM 184 CA ALA A 184 272.400 267.396 319.826 1.00 0.00 C
|
| 187 |
+
ATOM 185 CA GLN A 185 273.837 263.888 320.204 1.00 0.00 C
|
| 188 |
+
ATOM 186 CA GLU A 186 276.219 261.971 317.930 1.00 0.00 C
|
| 189 |
+
ATOM 187 CA GLY A 187 278.580 259.083 317.154 1.00 0.00 C
|
| 190 |
+
ATOM 188 CA ARG A 188 279.654 256.167 314.949 1.00 0.00 C
|
| 191 |
+
ATOM 189 CA PRO A 189 281.400 253.730 312.599 1.00 0.00 C
|
| 192 |
+
ATOM 190 CA ARG A 190 280.366 254.578 309.031 1.00 0.00 C
|
| 193 |
+
ATOM 191 CA GLN A 191 282.275 255.219 305.797 1.00 0.00 C
|
| 194 |
+
ATOM 192 CA ALA A 192 284.803 252.846 304.217 1.00 0.00 C
|
| 195 |
+
ATOM 193 CA GLU A 193 287.305 251.383 301.745 1.00 0.00 C
|
| 196 |
+
ATOM 194 CA GLY A 194 290.624 250.175 303.173 1.00 0.00 C
|
| 197 |
+
ATOM 195 CA SER A 195 293.665 251.088 305.279 1.00 0.00 C
|
| 198 |
+
ATOM 196 CA GLN A 196 295.445 248.692 307.647 1.00 0.00 C
|
| 199 |
+
ATOM 197 CA GLU A 197 296.086 248.848 311.399 1.00 0.00 C
|
| 200 |
+
ATOM 198 CA GLY A 198 298.039 248.995 314.667 1.00 0.00 C
|
| 201 |
+
ATOM 199 CA ARG A 199 296.885 245.965 316.668 1.00 0.00 C
|
| 202 |
+
ATOM 200 CA PRO A 200 293.247 245.746 317.778 1.00 0.00 C
|
| 203 |
+
ATOM 201 CA ARG A 201 292.362 242.793 320.016 1.00 0.00 C
|
| 204 |
+
ATOM 202 CA GLN A 202 288.662 242.697 320.920 1.00 0.00 C
|
| 205 |
+
ATOM 203 CA GLU A 203 287.454 245.102 323.617 1.00 0.00 C
|
| 206 |
+
ATOM 204 CA GLU A 204 289.402 246.333 326.651 1.00 0.00 C
|
| 207 |
+
ATOM 205 CA VAL A 205 287.576 245.180 329.791 1.00 0.00 C
|
| 208 |
+
ATOM 206 CA LYS A 206 287.489 246.329 333.422 1.00 0.00 C
|
| 209 |
+
TER 207 LYS A 206
|
| 210 |
+
END
|
Fungi/A0A2S4UKZ0/A0A2S4UKZ0.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
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|
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:12bcf1c98ab8e869534f1fb146c35c6add48c5c6be1a44a568470ee32347767b
|
| 3 |
+
size 15200276
|
Fungi/A0A2S4UKZ0/top.pdb
ADDED
|
@@ -0,0 +1,124 @@
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 219.216 303.840 227.503 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA THR A 2 218.262 305.054 224.020 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA ALA A 3 219.378 302.350 221.579 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA ALA A 4 222.585 300.293 221.583 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA GLY A 5 221.871 297.072 223.488 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA LEU A 6 222.289 296.244 227.184 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA GLY A 7 221.797 296.075 230.958 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA GLY A 8 224.595 297.173 233.300 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 224.140 296.005 236.898 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA THR A 10 222.065 298.455 238.949 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA HIS A 11 220.728 297.950 242.481 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA GLN A 12 222.136 300.367 245.068 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA ASN A 13 225.239 302.524 245.555 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA ARG A 14 226.974 302.608 248.946 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA PRO A 15 229.411 305.517 249.288 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA ASP A 16 231.532 307.522 246.840 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA GLN A 17 234.588 309.661 247.618 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA GLN A 18 237.065 312.314 248.775 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA SER A 19 239.987 310.736 250.643 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA PRO A 20 240.176 306.930 250.631 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA PRO A 21 241.275 305.714 247.191 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLY A 22 243.030 305.935 243.817 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLY A 23 244.178 303.026 241.641 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA PRO A 24 247.279 301.483 243.228 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA PRO A 25 247.898 299.693 246.534 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA SER A 26 247.262 296.579 248.635 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA ASP A 27 243.990 294.753 249.324 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA ILE A 28 242.062 292.986 252.094 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASP A 29 244.282 293.377 255.166 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA ILE A 30 248.064 293.483 254.722 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA GLU A 31 251.220 294.339 256.677 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA ASP A 32 253.897 292.521 258.689 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA ASN A 33 257.634 292.393 259.419 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA TYR A 34 259.048 288.863 259.185 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA ILE A 35 257.124 285.618 258.656 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA PRO A 36 254.884 282.588 259.221 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA ALA A 37 254.646 279.610 256.857 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA GLU A 38 251.111 279.166 255.507 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA GLN A 39 249.480 279.309 252.067 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA ASP A 40 246.385 278.585 249.966 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA ASP A 41 243.751 278.194 247.241 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA GLU A 42 243.297 276.686 243.772 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA SER A 43 243.845 272.916 243.797 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA LEU A 44 247.451 271.946 243.040 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA SER A 45 249.534 274.649 244.733 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA GLU A 46 253.285 274.341 245.327 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA GLU A 47 255.624 274.182 248.330 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA ASP A 48 256.402 277.172 250.560 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA ASP A 49 259.629 277.307 252.579 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA ASP A 50 263.050 277.078 250.916 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA GLN A 51 265.299 274.752 248.906 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA GLY A 52 264.993 272.207 246.087 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ILE A 53 267.427 271.109 243.370 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA ASP A 54 269.633 268.007 243.203 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA PRO A 55 271.982 266.182 240.824 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA GLY A 56 275.673 265.998 239.893 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLN A 57 279.263 265.333 238.806 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA PHE A 58 282.129 262.829 238.621 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA GLY A 59 284.705 262.021 241.309 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA TYR A 60 285.820 259.717 244.131 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ARG A 61 288.401 257.485 245.828 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA PRO A 62 290.065 254.104 246.386 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ASP A 63 289.790 250.756 244.587 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLU A 64 288.818 247.193 245.522 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA SER A 65 286.689 245.474 248.173 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA ASP A 66 285.390 241.922 247.717 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA SER A 67 284.740 240.752 244.150 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLU A 68 283.463 237.202 243.616 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA SER A 69 283.988 235.259 246.851 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ASP A 70 284.677 234.186 250.441 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLY A 71 282.656 231.430 252.127 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 278.888 231.418 251.565 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA SER A 73 276.259 233.423 249.671 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA ASP A 74 272.976 231.503 249.445 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA GLU A 75 270.763 230.324 252.314 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA GLU A 76 271.457 228.210 255.407 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA ASP A 77 272.395 225.704 258.119 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA TRP A 78 270.305 222.519 258.164 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA SER A 79 269.232 218.960 257.326 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA TRP A 80 268.542 215.941 255.108 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA SER A 81 265.098 214.432 255.723 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA GLY A 82 262.486 217.074 256.571 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA GLU A 83 262.498 220.219 258.721 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA GLN A 84 260.293 220.241 261.827 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA THR A 85 258.228 220.034 265.023 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA LEU A 86 254.913 218.224 264.526 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA GLY A 87 252.009 220.124 262.953 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA GLU A 88 253.166 222.090 259.902 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA ASP A 89 252.908 220.244 256.579 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA PHE A 90 251.537 216.713 256.167 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA GLU A 91 250.883 213.082 257.117 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA PRO A 92 247.955 211.793 255.048 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ASN A 93 244.154 212.043 255.125 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLU A 94 240.775 212.624 253.464 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLN A 95 238.760 209.396 253.639 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA ASP A 96 240.167 206.790 256.036 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA ILE A 97 243.526 205.095 255.439 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA PRO A 98 246.501 202.813 254.759 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA THR A 99 246.973 199.787 257.025 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA THR A 100 246.962 196.445 258.854 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA GLY A 101 244.412 193.901 260.096 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA SER A 102 243.330 190.352 259.229 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA THR A 103 242.901 189.020 255.685 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA SER A 104 239.505 189.987 254.254 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 238.836 193.664 254.994 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA PRO A 106 236.090 195.757 256.605 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA GLN A 107 233.720 197.180 259.227 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA ARG A 108 230.930 198.152 261.632 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA THR A 109 230.290 196.030 264.730 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA ARG A 110 228.886 192.758 263.374 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA ARG A 111 227.432 190.151 261.006 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA VAL A 112 225.772 187.402 258.956 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA PRO A 113 226.833 184.962 256.229 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ALA A 114 225.170 181.697 255.184 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA ILE A 115 226.267 178.090 254.635 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA ASN A 116 226.403 174.451 253.513 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA MET A 117 223.410 172.165 254.085 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA VAL A 118 220.084 170.439 254.772 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ASP A 119 218.479 170.024 251.341 1.00 0.00 C
|
| 122 |
+
ATOM 120 CA SER A 120 220.391 169.453 248.096 1.00 0.00 C
|
| 123 |
+
TER 121 SER A 120
|
| 124 |
+
END
|
Fungi/A0A2T3AXV3/A0A2T3AXV3.dcd
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0914ea24ad43475804b605cf1f1698f2f8e412cab1c8174a0baf4b21be510e32
|
| 3 |
+
size 15080276
|
Fungi/A0A2T3AXV3/top.pdb
ADDED
|
@@ -0,0 +1,123 @@
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
REMARK 1 CREATED WITH OPENMM 8.2, 2026-10-06
|
| 2 |
+
CRYST1 500.000 500.000 500.000 90.00 90.00 90.00 P 1 1
|
| 3 |
+
ATOM 1 CA MET A 1 255.883 232.088 257.956 1.00 0.00 C
|
| 4 |
+
ATOM 2 CA GLY A 2 252.867 232.793 255.737 1.00 0.00 C
|
| 5 |
+
ATOM 3 CA LEU A 3 249.137 232.265 255.171 1.00 0.00 C
|
| 6 |
+
ATOM 4 CA PHE A 4 247.606 235.723 255.635 1.00 0.00 C
|
| 7 |
+
ATOM 5 CA LYS A 5 249.407 237.367 258.563 1.00 0.00 C
|
| 8 |
+
ATOM 6 CA SER A 6 250.669 240.869 257.753 1.00 0.00 C
|
| 9 |
+
ATOM 7 CA ARG A 7 254.168 240.964 259.259 1.00 0.00 C
|
| 10 |
+
ATOM 8 CA SER A 8 257.608 239.608 260.178 1.00 0.00 C
|
| 11 |
+
ATOM 9 CA SER A 9 260.094 242.174 258.854 1.00 0.00 C
|
| 12 |
+
ATOM 10 CA ALA A 10 263.531 243.785 259.184 1.00 0.00 C
|
| 13 |
+
ATOM 11 CA ALA A 11 265.959 242.390 256.600 1.00 0.00 C
|
| 14 |
+
ATOM 12 CA LYS A 12 269.367 240.891 255.789 1.00 0.00 C
|
| 15 |
+
ATOM 13 CA SER A 13 273.103 240.618 256.484 1.00 0.00 C
|
| 16 |
+
ATOM 14 CA SER A 14 276.116 238.419 257.258 1.00 0.00 C
|
| 17 |
+
ATOM 15 CA GLN A 15 278.516 235.679 256.139 1.00 0.00 C
|
| 18 |
+
ATOM 16 CA SER A 16 281.555 234.707 258.220 1.00 0.00 C
|
| 19 |
+
ATOM 17 CA ALA A 17 283.284 236.255 261.242 1.00 0.00 C
|
| 20 |
+
ATOM 18 CA ALA A 18 286.438 237.271 263.122 1.00 0.00 C
|
| 21 |
+
ATOM 19 CA GLY A 19 286.548 241.066 263.442 1.00 0.00 C
|
| 22 |
+
ATOM 20 CA ALA A 20 288.611 244.257 263.715 1.00 0.00 C
|
| 23 |
+
ATOM 21 CA HIS A 21 290.069 246.792 261.273 1.00 0.00 C
|
| 24 |
+
ATOM 22 CA GLU A 22 293.399 248.414 260.382 1.00 0.00 C
|
| 25 |
+
ATOM 23 CA GLN A 23 295.460 245.727 258.636 1.00 0.00 C
|
| 26 |
+
ATOM 24 CA LEU A 24 294.317 243.322 255.911 1.00 0.00 C
|
| 27 |
+
ATOM 25 CA THR A 25 294.045 241.533 252.558 1.00 0.00 C
|
| 28 |
+
ATOM 26 CA LYS A 26 293.094 243.998 249.813 1.00 0.00 C
|
| 29 |
+
ATOM 27 CA TYR A 27 292.755 243.945 246.018 1.00 0.00 C
|
| 30 |
+
ATOM 28 CA PRO A 28 292.051 240.450 244.676 1.00 0.00 C
|
| 31 |
+
ATOM 29 CA ASN A 29 293.539 237.675 246.820 1.00 0.00 C
|
| 32 |
+
ATOM 30 CA THR A 30 291.986 234.197 246.905 1.00 0.00 C
|
| 33 |
+
ATOM 31 CA SER A 31 288.884 233.218 248.889 1.00 0.00 C
|
| 34 |
+
ATOM 32 CA THR A 32 285.386 234.056 250.143 1.00 0.00 C
|
| 35 |
+
ATOM 33 CA SER A 33 284.642 231.650 253.002 1.00 0.00 C
|
| 36 |
+
ATOM 34 CA ASN A 34 283.932 227.911 252.828 1.00 0.00 C
|
| 37 |
+
ATOM 35 CA LEU A 35 283.996 225.441 249.928 1.00 0.00 C
|
| 38 |
+
ATOM 36 CA SER A 36 284.999 226.115 246.315 1.00 0.00 C
|
| 39 |
+
ATOM 37 CA THR A 37 285.634 228.973 243.876 1.00 0.00 C
|
| 40 |
+
ATOM 38 CA THR A 38 287.625 231.479 241.810 1.00 0.00 C
|
| 41 |
+
ATOM 39 CA SER A 39 290.196 233.502 239.857 1.00 0.00 C
|
| 42 |
+
ATOM 40 CA THR A 40 292.729 234.877 237.365 1.00 0.00 C
|
| 43 |
+
ATOM 41 CA LEU A 41 292.105 236.188 233.842 1.00 0.00 C
|
| 44 |
+
ATOM 42 CA LEU A 42 289.973 235.513 230.758 1.00 0.00 C
|
| 45 |
+
ATOM 43 CA GLU A 43 286.397 234.879 229.607 1.00 0.00 C
|
| 46 |
+
ATOM 44 CA SER A 44 283.107 233.901 227.953 1.00 0.00 C
|
| 47 |
+
ATOM 45 CA PRO A 45 280.898 232.639 225.117 1.00 0.00 C
|
| 48 |
+
ATOM 46 CA THR A 46 277.193 233.523 225.238 1.00 0.00 C
|
| 49 |
+
ATOM 47 CA LYS A 47 274.450 236.072 224.538 1.00 0.00 C
|
| 50 |
+
ATOM 48 CA LYS A 48 271.355 237.269 226.410 1.00 0.00 C
|
| 51 |
+
ATOM 49 CA GLN A 49 268.960 238.128 229.247 1.00 0.00 C
|
| 52 |
+
ATOM 50 CA VAL A 50 269.334 237.119 232.902 1.00 0.00 C
|
| 53 |
+
ATOM 51 CA ARG A 51 268.808 236.577 236.636 1.00 0.00 C
|
| 54 |
+
ATOM 52 CA ARG A 52 266.862 236.167 239.886 1.00 0.00 C
|
| 55 |
+
ATOM 53 CA ARG A 53 264.504 239.158 239.988 1.00 0.00 C
|
| 56 |
+
ATOM 54 CA THR A 54 261.880 239.120 237.226 1.00 0.00 C
|
| 57 |
+
ATOM 55 CA SER A 55 260.854 238.073 233.709 1.00 0.00 C
|
| 58 |
+
ATOM 56 CA TYR A 56 259.095 240.684 231.564 1.00 0.00 C
|
| 59 |
+
ATOM 57 CA GLU A 57 255.609 242.220 231.528 1.00 0.00 C
|
| 60 |
+
ATOM 58 CA GLU A 58 254.730 244.837 234.154 1.00 0.00 C
|
| 61 |
+
ATOM 59 CA PHE A 59 254.808 248.487 233.063 1.00 0.00 C
|
| 62 |
+
ATOM 60 CA LEU A 60 257.113 251.481 232.575 1.00 0.00 C
|
| 63 |
+
ATOM 61 CA ALA A 61 257.934 254.304 234.998 1.00 0.00 C
|
| 64 |
+
ATOM 62 CA GLN A 62 257.965 255.599 238.581 1.00 0.00 C
|
| 65 |
+
ATOM 63 CA ALA A 63 259.383 258.494 240.612 1.00 0.00 C
|
| 66 |
+
ATOM 64 CA GLN A 64 258.553 262.160 241.237 1.00 0.00 C
|
| 67 |
+
ATOM 65 CA GLU A 65 255.398 264.037 242.259 1.00 0.00 C
|
| 68 |
+
ATOM 66 CA LYS A 66 252.215 262.666 240.676 1.00 0.00 C
|
| 69 |
+
ATOM 67 CA GLU A 67 249.750 260.934 238.344 1.00 0.00 C
|
| 70 |
+
ATOM 68 CA GLU A 68 245.990 260.890 238.958 1.00 0.00 C
|
| 71 |
+
ATOM 69 CA ARG A 69 243.817 257.982 240.114 1.00 0.00 C
|
| 72 |
+
ATOM 70 CA ARG A 70 241.615 257.853 243.220 1.00 0.00 C
|
| 73 |
+
ATOM 71 CA GLN A 71 238.704 258.873 245.457 1.00 0.00 C
|
| 74 |
+
ATOM 72 CA ARG A 72 237.840 261.270 248.289 1.00 0.00 C
|
| 75 |
+
ATOM 73 CA GLN A 73 236.744 264.766 247.244 1.00 0.00 C
|
| 76 |
+
ATOM 74 CA GLN A 74 236.572 268.535 247.772 1.00 0.00 C
|
| 77 |
+
ATOM 75 CA ARG A 75 235.877 272.204 248.533 1.00 0.00 C
|
| 78 |
+
ATOM 76 CA ALA A 76 233.452 274.792 249.923 1.00 0.00 C
|
| 79 |
+
ATOM 77 CA TRP A 77 231.599 273.826 253.109 1.00 0.00 C
|
| 80 |
+
ATOM 78 CA ILE A 78 234.066 272.915 255.866 1.00 0.00 C
|
| 81 |
+
ATOM 79 CA GLU A 79 236.456 269.986 255.395 1.00 0.00 C
|
| 82 |
+
ATOM 80 CA ALA A 80 236.849 267.521 258.273 1.00 0.00 C
|
| 83 |
+
ATOM 81 CA GLU A 81 234.182 264.885 257.600 1.00 0.00 C
|
| 84 |
+
ATOM 82 CA LYS A 82 235.090 263.247 254.282 1.00 0.00 C
|
| 85 |
+
ATOM 83 CA ARG A 83 231.762 262.449 252.608 1.00 0.00 C
|
| 86 |
+
ATOM 84 CA ARG A 84 229.515 262.102 249.550 1.00 0.00 C
|
| 87 |
+
ATOM 85 CA MET A 85 227.863 265.237 248.151 1.00 0.00 C
|
| 88 |
+
ATOM 86 CA GLY A 86 227.349 267.611 251.087 1.00 0.00 C
|
| 89 |
+
ATOM 87 CA ASN A 87 224.454 268.446 253.418 1.00 0.00 C
|
| 90 |
+
ATOM 88 CA SER A 88 224.648 268.333 257.221 1.00 0.00 C
|
| 91 |
+
ATOM 89 CA THR A 89 224.273 270.183 260.531 1.00 0.00 C
|
| 92 |
+
ATOM 90 CA ASP A 90 221.359 270.109 262.984 1.00 0.00 C
|
| 93 |
+
ATOM 91 CA PRO A 91 219.558 269.308 266.245 1.00 0.00 C
|
| 94 |
+
ATOM 92 CA TRP A 92 217.194 267.258 268.418 1.00 0.00 C
|
| 95 |
+
ATOM 93 CA ARG A 93 213.414 267.084 268.860 1.00 0.00 C
|
| 96 |
+
ATOM 94 CA GLY A 94 211.491 266.111 272.002 1.00 0.00 C
|
| 97 |
+
ATOM 95 CA GLY A 95 207.705 266.283 271.616 1.00 0.00 C
|
| 98 |
+
ATOM 96 CA PHE A 96 205.781 269.105 273.305 1.00 0.00 C
|
| 99 |
+
ATOM 97 CA GLY A 97 202.102 268.127 273.457 1.00 0.00 C
|
| 100 |
+
ATOM 98 CA PRO A 98 201.152 264.525 272.654 1.00 0.00 C
|
| 101 |
+
ATOM 99 CA PRO A 99 200.878 262.184 269.660 1.00 0.00 C
|
| 102 |
+
ATOM 100 CA ALA A 100 203.167 262.266 266.616 1.00 0.00 C
|
| 103 |
+
ATOM 101 CA PRO A 101 201.719 261.807 263.122 1.00 0.00 C
|
| 104 |
+
ATOM 102 CA VAL A 102 198.656 261.387 260.894 1.00 0.00 C
|
| 105 |
+
ATOM 103 CA LYS A 103 196.127 262.083 258.131 1.00 0.00 C
|
| 106 |
+
ATOM 104 CA GLN A 104 194.233 260.952 255.024 1.00 0.00 C
|
| 107 |
+
ATOM 105 CA ARG A 105 195.053 259.573 251.568 1.00 0.00 C
|
| 108 |
+
ATOM 106 CA ASP A 106 197.426 257.159 249.821 1.00 0.00 C
|
| 109 |
+
ATOM 107 CA VAL A 107 200.046 254.414 249.475 1.00 0.00 C
|
| 110 |
+
ATOM 108 CA GLY A 108 203.839 254.165 249.211 1.00 0.00 C
|
| 111 |
+
ATOM 109 CA ASP A 109 206.841 254.973 247.008 1.00 0.00 C
|
| 112 |
+
ATOM 110 CA TRP A 110 208.771 258.194 246.369 1.00 0.00 C
|
| 113 |
+
ATOM 111 CA LEU A 111 211.894 259.405 248.186 1.00 0.00 C
|
| 114 |
+
ATOM 112 CA LYS A 112 215.331 258.121 247.159 1.00 0.00 C
|
| 115 |
+
ATOM 113 CA ASP A 113 218.769 256.645 246.440 1.00 0.00 C
|
| 116 |
+
ATOM 114 CA ASN A 114 220.071 254.457 249.274 1.00 0.00 C
|
| 117 |
+
ATOM 115 CA GLY A 115 222.906 251.934 249.611 1.00 0.00 C
|
| 118 |
+
ATOM 116 CA LEU A 116 222.179 249.943 252.777 1.00 0.00 C
|
| 119 |
+
ATOM 117 CA SER A 117 222.603 249.194 256.489 1.00 0.00 C
|
| 120 |
+
ATOM 118 CA GLY A 118 223.011 252.562 258.223 1.00 0.00 C
|
| 121 |
+
ATOM 119 CA ARG A 119 219.569 254.074 258.843 1.00 0.00 C
|
| 122 |
+
TER 120 ARG A 119
|
| 123 |
+
END
|
Fungi/A0A2T3ZNM9/A0A2T3ZNM9.dcd
ADDED
|
@@ -0,0 +1,3 @@
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|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e4e66fdc220f7fb73401f5d8b5abf0a1480d4d416309cd0e71d06f6c937e31cf
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| 3 |
+
size 20240276
|