File size: 9,311 Bytes
d6fdbfa | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 | data_second_mut_M2
#
_entry.id second_mut_M2
#
_struct.title 'SPICE coarse Calpha model of miniSOG 7QF3 mutant (116 residue)'
_struct.pdbx_DETAILS 'Coarse C-alpha model. Secondary structure = geometric consensus of 5 SPICE MD survivors (>=4/5).'
#
_entity.id 1
_entity.type 'polymer'
_entity.src_method 'man'
#
_entity_poly.entity_id 1
_entity_poly.type 'polypeptide(L)'
_entity_poly.pdbx_seq_one_letter_code_can
;
MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDKATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL
;
#
loop_
_struct_conf.id
_struct_conf.conf_type_id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_seq_id
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
HX_1 HELIX_P ASP A 49 ILE A 60
#
loop_
_struct_sheet_range.id
_struct_sheet_range.sheet_id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
ST_1 S1 LYS A 3 PHE A 5
ST_2 S2 GLN A 63 GLN A 69
ST_3 S3 ILE A 71 TYR A 73
ST_4 S4 GLY A 77 TRP A 81
ST_5 S5 LEU A 83 ARG A 90
ST_6 S6 LEU A 96 ASP A 105
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
ATOM 1 C CA MET A 1 1 8.632 -4.898 -28.749 1.00 0.00
ATOM 2 C CA GLU A 1 2 11.606 -3.979 -26.370 1.00 0.00
ATOM 3 C CA LYS A 1 3 12.039 -5.749 -22.875 1.00 0.00
ATOM 4 C CA SER A 1 4 8.626 -5.254 -21.100 1.00 0.00
ATOM 5 C CA PHE A 1 5 8.758 -2.667 -18.220 1.00 0.00
ATOM 6 C CA VAL A 1 6 6.355 -0.386 -16.134 1.00 0.00
ATOM 7 C CA ILE A 1 7 7.939 1.828 -13.349 1.00 0.00
ATOM 8 C CA THR A 1 8 4.770 2.113 -10.908 1.00 0.00
ATOM 9 C CA ASP A 1 9 4.744 4.518 -7.693 1.00 0.00
ATOM 10 C CA PRO A 1 10 3.005 3.704 -4.215 1.00 0.00
ATOM 11 C CA ARG A 1 11 3.384 7.209 -2.444 1.00 0.00
ATOM 12 C CA LEU A 1 12 0.534 8.986 -4.552 1.00 0.00
ATOM 13 C CA PRO A 1 13 -3.235 8.029 -4.053 1.00 0.00
ATOM 14 C CA ASP A 1 14 -3.786 4.286 -5.254 1.00 0.00
ATOM 15 C CA ASN A 1 15 -0.244 3.263 -6.688 1.00 0.00
ATOM 16 C CA PRO A 1 16 -0.532 4.821 -10.380 1.00 0.00
ATOM 17 C CA ILE A 1 17 1.295 3.943 -13.771 1.00 0.00
ATOM 18 C CA ILE A 1 18 3.961 6.883 -13.960 1.00 0.00
ATOM 19 C CA PHE A 1 19 6.091 5.764 -17.148 1.00 0.00
ATOM 20 C CA ALA A 1 20 4.447 4.343 -20.427 1.00 0.00
ATOM 21 C CA SER A 1 21 7.687 2.711 -21.927 1.00 0.00
ATOM 22 C CA ASP A 1 22 8.213 2.058 -25.778 1.00 0.00
ATOM 23 C CA GLY A 1 23 8.168 -1.798 -24.910 1.00 0.00
ATOM 24 C CA PHE A 1 24 4.440 -1.618 -23.637 1.00 0.00
ATOM 25 C CA LEU A 1 25 2.994 -0.008 -26.968 1.00 0.00
ATOM 26 C CA GLU A 1 26 3.690 -3.275 -29.028 1.00 0.00
ATOM 27 C CA LEU A 1 27 2.350 -6.003 -26.468 1.00 0.00
ATOM 28 C CA THR A 1 28 -1.252 -4.963 -25.262 1.00 0.00
ATOM 29 C CA GLU A 1 29 -2.377 -2.238 -28.004 1.00 0.00
ATOM 30 C CA TYR A 1 30 -2.945 1.060 -25.910 1.00 0.00
ATOM 31 C CA SER A 1 31 -1.788 4.722 -26.892 1.00 0.00
ATOM 32 C CA ARG A 1 32 0.546 6.721 -24.360 1.00 0.00
ATOM 33 C CA GLU A 1 33 -2.090 9.419 -23.128 1.00 0.00
ATOM 34 C CA GLU A 1 34 -4.770 7.253 -21.194 1.00 0.00
ATOM 35 C CA ILE A 1 35 -1.997 4.636 -19.985 1.00 0.00
ATOM 36 C CA LEU A 1 36 -0.691 7.234 -17.261 1.00 0.00
ATOM 37 C CA GLY A 1 37 -3.181 7.541 -14.251 1.00 0.00
ATOM 38 C CA ARG A 1 38 -4.728 4.038 -13.653 1.00 0.00
ATOM 39 C CA ASN A 1 39 -4.209 0.933 -11.239 1.00 0.00
ATOM 40 C CA GLY A 1 40 -3.140 -2.429 -13.003 1.00 0.00
ATOM 41 C CA ARG A 1 41 -6.649 -4.262 -12.658 1.00 0.00
ATOM 42 C CA PHE A 1 42 -7.818 -2.258 -15.874 1.00 0.00
ATOM 43 C CA LEU A 1 43 -6.116 -5.269 -17.776 1.00 0.00
ATOM 44 C CA GLN A 1 44 -7.795 -8.299 -15.962 1.00 0.00
ATOM 45 C CA GLY A 1 45 -11.256 -9.238 -17.519 1.00 0.00
ATOM 46 C CA PRO A 1 46 -14.014 -12.078 -17.895 1.00 0.00
ATOM 47 C CA GLU A 1 47 -11.532 -15.175 -18.022 1.00 0.00
ATOM 48 C CA THR A 1 48 -9.667 -14.820 -14.579 1.00 0.00
ATOM 49 C CA ASP A 1 49 -9.110 -17.596 -11.758 1.00 0.00
ATOM 50 C CA LYS A 1 50 -10.288 -15.668 -8.455 1.00 0.00
ATOM 51 C CA ALA A 1 51 -8.108 -17.630 -5.892 1.00 0.00
ATOM 52 C CA THR A 1 52 -4.732 -16.463 -7.534 1.00 0.00
ATOM 53 C CA VAL A 1 53 -5.847 -12.766 -8.078 1.00 0.00
ATOM 54 C CA GLN A 1 54 -5.694 -12.735 -4.109 1.00 0.00
ATOM 55 C CA LYS A 1 55 -1.937 -13.986 -4.149 1.00 0.00
ATOM 56 C CA ILE A 1 56 -0.681 -10.589 -5.798 1.00 0.00
ATOM 57 C CA GLN A 1 57 -2.533 -8.301 -3.158 1.00 0.00
ATOM 58 C CA ASP A 1 58 -0.353 -9.914 -0.252 1.00 0.00
ATOM 59 C CA ALA A 1 59 3.126 -8.880 -1.935 1.00 0.00
ATOM 60 C CA ILE A 1 60 2.396 -4.930 -2.098 1.00 0.00
ATOM 61 C CA ARG A 1 61 1.564 -4.605 1.805 1.00 0.00
ATOM 62 C CA ASP A 1 62 4.983 -6.310 2.880 1.00 0.00
ATOM 63 C CA GLN A 1 63 7.596 -5.218 0.067 1.00 0.00
ATOM 64 C CA ARG A 1 64 8.727 -8.864 -0.988 1.00 0.00
ATOM 65 C CA GLU A 1 65 9.629 -10.408 -4.502 1.00 0.00
ATOM 66 C CA ILE A 1 66 6.998 -12.945 -6.076 1.00 0.00
ATOM 67 C CA THR A 1 67 6.813 -14.682 -9.598 1.00 0.00
ATOM 68 C CA VAL A 1 68 2.955 -15.446 -10.194 1.00 0.00
ATOM 69 C CA GLN A 1 69 1.482 -16.280 -13.693 1.00 0.00
ATOM 70 C CA LEU A 1 70 -2.042 -14.665 -14.719 1.00 0.00
ATOM 71 C CA ILE A 1 71 -4.530 -14.520 -17.774 1.00 0.00
ATOM 72 C CA ASN A 1 72 -4.109 -10.888 -19.307 1.00 0.00
ATOM 73 C CA TYR A 1 73 -6.000 -8.886 -22.214 1.00 0.00
ATOM 74 C CA THR A 1 74 -5.421 -6.721 -25.424 1.00 0.00
ATOM 75 C CA LYS A 1 75 -7.745 -4.014 -27.332 1.00 0.00
ATOM 76 C CA SER A 1 76 -10.032 -6.399 -29.535 1.00 0.00
ATOM 77 C CA GLY A 1 77 -10.711 -9.229 -26.924 1.00 0.00
ATOM 78 C CA LYS A 1 78 -7.463 -11.203 -27.816 1.00 0.00
ATOM 79 C CA LYS A 1 79 -6.304 -14.023 -25.326 1.00 0.00
ATOM 80 C CA PHE A 1 80 -2.563 -14.410 -24.166 1.00 0.00
ATOM 81 C CA TRP A 1 81 -0.184 -15.688 -21.185 1.00 0.00
ATOM 82 C CA ASN A 1 82 1.825 -13.372 -18.767 1.00 0.00
ATOM 83 C CA LEU A 1 83 4.950 -14.249 -16.501 1.00 0.00
ATOM 84 C CA LEU A 1 84 4.657 -11.427 -13.742 1.00 0.00
ATOM 85 C CA HIS A 1 85 8.028 -10.399 -11.991 1.00 0.00
ATOM 86 C CA LEU A 1 86 7.423 -8.148 -8.818 1.00 0.00
ATOM 87 C CA GLN A 1 87 10.579 -6.059 -7.615 1.00 0.00
ATOM 88 C CA PRO A 1 88 10.827 -3.438 -4.705 1.00 0.00
ATOM 89 C CA MET A 1 89 13.539 -0.699 -5.685 1.00 0.00
ATOM 90 C CA ARG A 1 90 15.158 0.730 -2.524 1.00 0.00
ATOM 91 C CA ASP A 1 91 16.355 4.446 -2.574 1.00 0.00
ATOM 92 C CA GLN A 1 92 19.308 5.462 -0.124 1.00 0.00
ATOM 93 C CA LYS A 1 93 17.370 5.955 3.339 1.00 0.00
ATOM 94 C CA GLY A 1 94 15.651 2.441 3.430 1.00 0.00
ATOM 95 C CA GLU A 1 95 12.264 3.660 1.993 1.00 0.00
ATOM 96 C CA LEU A 1 96 9.681 2.405 -0.656 1.00 0.00
ATOM 97 C CA GLN A 1 97 10.618 4.488 -3.892 1.00 0.00
ATOM 98 C CA TYR A 1 98 9.024 2.412 -6.865 1.00 0.00
ATOM 99 C CA PHE A 1 99 7.923 -1.076 -7.939 1.00 0.00
ATOM 100 C CA ILE A 1 100 9.078 -2.330 -11.517 1.00 0.00
ATOM 101 C CA GLY A 1 101 7.522 -5.471 -13.413 1.00 0.00
ATOM 102 C CA VAL A 1 102 9.235 -7.364 -16.405 1.00 0.00
ATOM 103 C CA GLN A 1 103 5.935 -8.086 -18.451 1.00 0.00
ATOM 104 C CA LEU A 1 104 6.195 -10.851 -21.128 1.00 0.00
ATOM 105 C CA ASP A 1 105 4.451 -12.469 -24.228 1.00 0.00
ATOM 106 C CA GLY A 1 106 4.447 -16.410 -24.188 1.00 0.00
ATOM 107 C CA GLU A 1 107 3.783 -20.027 -22.789 1.00 0.00
ATOM 108 C CA PHE A 1 108 6.017 -20.750 -19.597 1.00 0.00
ATOM 109 C CA ILE A 1 109 4.367 -22.931 -16.751 1.00 0.00
ATOM 110 C CA PRO A 1 110 1.453 -24.976 -18.479 1.00 0.00
ATOM 111 C CA ASN A 1 111 -2.373 -24.092 -17.979 1.00 0.00
ATOM 112 C CA PRO A 1 112 -2.991 -27.659 -16.237 1.00 0.00
ATOM 113 C CA LEU A 1 113 -0.032 -27.873 -13.635 1.00 0.00
ATOM 114 C CA LEU A 1 114 -0.847 -24.125 -12.594 1.00 0.00
ATOM 115 C CA GLY A 1 115 -4.153 -24.967 -10.625 1.00 0.00
ATOM 116 C CA LEU A 1 116 -2.246 -27.461 -8.208 1.00 0.00
#
|