sequence stringlengths 7 23 | smiles stringlengths 28 167 | num_monomers int64 4 6 | num_atoms int64 28 136 | num_heavy_atoms int64 16 74 | totalconfs int64 6 17.6k | uniqueconfs int64 1 12.3k | lowestenergy float64 -212.72 -51.3 | poplowestpct float64 0.17 100 | temperature float64 298 298 | ensembleenergy float64 0 1.91 | ensembleentropy float64 0.28 17.3 | ensemblefreeenergy float64 -5.16 -0.08 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
W.MeT.A.c.p.Mew | C[C@@H]1NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CS)NC1=O | 6 | 103 | 55 | 1,501 | 478 | -163.38379 | 56.353 | 298.15 | 0.478 | 10.425 | -3.108 |
Mef.I.MeL.Q.l.P | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 6 | 114 | 53 | 6,050 | 1,593 | -163.85928 | 64.714 | 298.15 | 0.239 | 14.982 | -4.467 |
Mef.Mef.y.Mec.Q.V | CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CS)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O | 6 | 114 | 59 | 5,514 | 2,241 | -176.63351 | 45.382 | 298.15 | 0.481 | 13.491 | -4.022 |
I.MeQ.C.MeQ.G.MeT | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)CNC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)N(C)C1=O | 6 | 94 | 46 | 3,463 | 771 | -147.95176 | 50.73 | 298.15 | 0.37 | 12.046 | -3.591 |
V.C.N.I.P.V | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O | 6 | 90 | 43 | 2,782 | 980 | -136.3811 | 47.627 | 298.15 | 0.455 | 11.677 | -3.482 |
MeI.L.MeI.P.T.S | CC[C@H](C)[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1C | 6 | 102 | 46 | 3,595 | 645 | -147.42867 | 64.866 | 298.15 | 0.289 | 13.332 | -3.975 |
A.I.W.C.i.G | CC[C@@H](C)[C@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)CNC1=O | 6 | 90 | 45 | 2,518 | 1,299 | -137.6932 | 25.861 | 298.15 | 0.583 | 12.768 | -3.807 |
V.G.W.Y.F.C | CC(C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O | 6 | 99 | 54 | 2,468 | 1,339 | -158.88047 | 8.982 | 298.15 | 0.534 | 13.123 | -3.913 |
T.Q.N.F.V.Mew | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C1=O | 6 | 108 | 57 | 1,425 | 409 | -172.73298 | 21.269 | 298.15 | 0.282 | 12.722 | -3.793 |
L.W.P.MeQ.MeS.P | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)N(C)C(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 6 | 105 | 53 | 3,648 | 1,033 | -161.98976 | 16.04 | 298.15 | 0.681 | 13.524 | -4.032 |
Meq.S.C.Q.C.T | C[C@@H](O)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)N(C)C1=O | 6 | 84 | 44 | 790 | 426 | -142.60042 | 31.773 | 298.15 | 0.566 | 8.54 | -2.546 |
A.T.Q.F.Mef.Q | C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 101 | 53 | 2,394 | 967 | -161.82175 | 27.264 | 298.15 | 0.479 | 11.872 | -3.54 |
MeV.W.MeV.F.A.V | CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)N(C)C1=O | 6 | 108 | 53 | 6,335 | 1,012 | -158.83359 | 31.165 | 298.15 | 0.486 | 14.652 | -4.369 |
MeL.I.C.L.MeV.A | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC1=O | 6 | 100 | 44 | 11,564 | 4,047 | -140.39205 | 36.851 | 298.15 | 0.625 | 14.463 | -4.312 |
N.T.T.S.P.V | CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 6 | 83 | 42 | 900 | 347 | -135.83799 | 50.628 | 298.15 | 0.439 | 10.249 | -3.056 |
T.Y.V.f.f.S | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 6 | 102 | 54 | 1,163 | 385 | -162.36061 | 37.874 | 298.15 | 0.291 | 11.044 | -3.293 |
N.L.I.I.N.MeW | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 6 | 112 | 55 | 5,065 | 883 | -169.6098 | 61.082 | 298.15 | 0.338 | 13.394 | -3.993 |
A.P.V.T.MeA.P | CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 81 | 39 | 2,105 | 274 | -123.36443 | 49.067 | 298.15 | 0.465 | 12.034 | -3.588 |
W.Y.L.V.Q.N | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC1=O | 6 | 111 | 58 | 2,559 | 708 | -175.91441 | 30.16 | 298.15 | 0.466 | 13.167 | -3.926 |
S.t.F.L.n.F | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC1=O | 6 | 98 | 51 | 2,244 | 658 | -156.22347 | 17.014 | 298.15 | 0.587 | 12.24 | -3.649 |
q.L.I.L.w.N | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O | 6 | 112 | 55 | 5,246 | 2,109 | -169.61658 | 57.699 | 298.15 | 0.18 | 14.597 | -4.352 |
MeV.P.F.MeW.Q.S | CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1C | 6 | 108 | 56 | 2,541 | 1,008 | -168.38363 | 35.272 | 298.15 | 0.443 | 12.099 | -3.607 |
Y.L.Q.MeW.L.F | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCC(N)=O)NC1=O | 6 | 123 | 63 | 5,951 | 2,593 | -187.47097 | 52.429 | 298.15 | 0.256 | 13.467 | -4.015 |
Y.Mes.A.Mev.Q.C | CC(C)[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CO)C(=O)N[C@@H](C)C(=O)N1C | 6 | 92 | 47 | 2,134 | 726 | -147.75657 | 23.041 | 298.15 | 0.552 | 11.827 | -3.526 |
Q.P.S.S.MeW.F | CN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 | 6 | 100 | 54 | 950 | 495 | -162.95504 | 19.287 | 298.15 | 0.832 | 10.182 | -3.036 |
L.y.P.Q.A.Y | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O | 6 | 102 | 53 | 3,089 | 1,913 | -161.57419 | 13.29 | 298.15 | 0.587 | 13.352 | -3.981 |
G.w.s.s.N.T | C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O | 6 | 81 | 45 | 425 | 258 | -140.46982 | 32.518 | 298.15 | 0.714 | 6.804 | -2.029 |
A.C.A.V.N.s | CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O | 6 | 72 | 37 | 1,619 | 639 | -119.29255 | 29.192 | 298.15 | 0.613 | 10.723 | -3.197 |
MeY.MeY.I.q.A.N | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC1=O | 6 | 108 | 56 | 2,301 | 781 | -172.24074 | 44.384 | 298.15 | 0.28 | 13.565 | -4.044 |
Mec.MeI.MeI.MeI.C.T | CC[C@H](C)[C@H]1C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@H](CS)C(=O)N1C | 6 | 105 | 47 | 11,809 | 4,188 | -150.85683 | 22.893 | 298.15 | 0.935 | 15.029 | -4.481 |
f.Y.Mei.a.MeF.l | CC[C@@H](C)[C@@H]1C(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 6 | 115 | 57 | 5,811 | 2,429 | -170.05596 | 37.835 | 298.15 | 0.376 | 13.541 | -4.037 |
MeS.W.A.t.MeG.f | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H]([C@H](C)O)NC1=O | 6 | 92 | 49 | 1,272 | 316 | -147.96673 | 50.049 | 298.15 | 0.404 | 10.197 | -3.04 |
c.W.S.W.Mec.V | CC(C)[C@@H]1NC(=O)[C@@H](CS)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CS)NC1=O | 6 | 100 | 54 | 1,586 | 1,146 | -161.3038 | 30.083 | 298.15 | 0.55 | 10.26 | -3.059 |
I.V.f.F.V.f | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 6 | 111 | 55 | 4,083 | 812 | -162.82125 | 63.102 | 298.15 | 0.251 | 14.534 | -4.333 |
Q.Y.A.A.W.Q | C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 6 | 99 | 54 | 676 | 259 | -163.24435 | 25.868 | 298.15 | 0.516 | 8.779 | -2.618 |
Q.f.N.V.S.L | CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O | 6 | 97 | 49 | 1,628 | 374 | -153.26585 | 30.244 | 298.15 | 0.303 | 12.446 | -3.711 |
A.N.W.A.Y.C | C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O | 6 | 90 | 50 | 936 | 471 | -150.4926 | 45.182 | 298.15 | 0.776 | 8.543 | -2.547 |
L.F.T.C.L.C | CC(C)C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 6 | 94 | 46 | 3,999 | 2,385 | -143.59824 | 20.285 | 298.15 | 0.587 | 13.13 | -3.915 |
a.Y.C.I.MeY.F | CC[C@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O | 6 | 105 | 55 | 5,246 | 1,567 | -164.71487 | 11.61 | 298.15 | 0.673 | 14.788 | -4.409 |
y.Mei.s.I.T.y | CC[C@@H](C)[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C | 6 | 108 | 54 | 1,986 | 795 | -167.37779 | 37.106 | 298.15 | 0.368 | 11.978 | -3.571 |
Y.I.Q.Q.W.N | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 6 | 112 | 60 | 2,639 | 1,387 | -182.40499 | 14.129 | 298.15 | 0.675 | 11.529 | -3.437 |
L.T.L.C.Q.C | CC(C)C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 91 | 44 | 3,652 | 2,075 | -141.54277 | 9.436 | 298.15 | 0.679 | 13.012 | -3.88 |
T.L.T.A.F.Q | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 94 | 47 | 2,216 | 475 | -147.67466 | 33.348 | 298.15 | 0.48 | 13.457 | -4.012 |
Q.A.G.Y.W.V | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O | 6 | 95 | 51 | 1,025 | 276 | -153.58352 | 33.842 | 298.15 | 0.588 | 11.292 | -3.367 |
V.L.p.Mes.W.A | CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CO)N(C)C(=O)[C@H]2CCCN2C1=O | 6 | 97 | 48 | 3,694 | 1,195 | -147.00775 | 38.848 | 298.15 | 0.38 | 12.878 | -3.84 |
Mey.Meq.y.I.W.MeA | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCC(N)=O)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 6 | 121 | 63 | 5,923 | 1,163 | -188.37306 | 34.66 | 298.15 | 0.809 | 13.893 | -4.142 |
a.Y.Men.P.Men.I | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O | 6 | 98 | 50 | 5,994 | 1,731 | -155.43136 | 15.445 | 298.15 | 0.716 | 14.458 | -4.311 |
C.Mey.F.W.C.C | CN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 6 | 101 | 56 | 1,726 | 1,373 | -165.37303 | 15.673 | 298.15 | 0.993 | 11.137 | -3.321 |
F.I.I.Mes.Mes.MeG | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H](CO)N(C)C(=O)[C@@H](CO)N(C)C(=O)[C@H]([C@@H](C)CC)NC1=O | 6 | 96 | 46 | 3,601 | 1,310 | -144.32528 | 31.4 | 298.15 | 0.32 | 13.513 | -4.029 |
T.MeI.G.MeC.f.S | CC[C@H](C)[C@H]1C(=O)NCC(=O)N(C)[C@@H](CS)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 6 | 88 | 44 | 3,423 | 1,303 | -138.07547 | 41.063 | 298.15 | 0.353 | 11.726 | -3.496 |
V.N.I.C.P.F | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC1=O | 6 | 94 | 47 | 1,351 | 381 | -144.93631 | 51.114 | 298.15 | 0.306 | 12.347 | -3.681 |
I.MeQ.G.I.N.Q | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 6 | 96 | 47 | 4,186 | 1,804 | -150.30144 | 56.93 | 298.15 | 0.307 | 11.975 | -3.57 |
G.S.W.Mel.I.F | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O | 6 | 103 | 52 | 6,640 | 3,198 | -156.56217 | 20.247 | 298.15 | 0.561 | 13.59 | -4.052 |
Y.I.Met.P.S.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@H](C)O)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 6 | 101 | 49 | 3,735 | 1,312 | -153.73621 | 38.007 | 298.15 | 0.507 | 13.356 | -3.982 |
F.N.W.W.I.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 6 | 120 | 63 | 3,948 | 1,055 | -184.79875 | 26.887 | 298.15 | 0.469 | 13.139 | -3.917 |
MeI.T.MeC.T.MeC.Met | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N1C | 6 | 95 | 45 | 2,195 | 387 | -146.3375 | 79.453 | 298.15 | 0.184 | 11.806 | -3.52 |
Men.G.G.V.Q.Men | CC(C)[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O | 6 | 81 | 42 | 988 | 162 | -134.47509 | 81.908 | 298.15 | 0.346 | 9.968 | -2.972 |
N.L.Y.T.T.T | CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 6 | 96 | 49 | 2,169 | 716 | -155.81774 | 33.792 | 298.15 | 0.514 | 10.972 | -3.271 |
S.P.Q.C.MeC.Y | CN1C(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1CS | 6 | 88 | 47 | 1,363 | 980 | -146.82776 | 6.515 | 298.15 | 0.841 | 10.426 | -3.109 |
W.Men.V.I.Mev.A | CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C1=O | 6 | 105 | 51 | 4,701 | 1,093 | -156.77831 | 52.2 | 298.15 | 0.364 | 11.771 | -3.509 |
MeC.S.N.MeC.Q.P | CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CS | 6 | 84 | 44 | 1,686 | 939 | -140.6874 | 23.767 | 298.15 | 0.984 | 10.015 | -2.986 |
P.C.W.MeT.P.Q | C[C@@H](O)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C | 6 | 97 | 51 | 1,084 | 565 | -155.73433 | 14.734 | 298.15 | 0.9 | 11.184 | -3.335 |
MeT.G.MeT.N.a.V | CC(C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)O)N(C)C1=O | 6 | 81 | 40 | 1,058 | 135 | -129.61643 | 53.725 | 298.15 | 0.414 | 11.513 | -3.433 |
L.p.P.MeT.MeV.Q | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 6 | 100 | 47 | 6,639 | 2,040 | -148.8548 | 12.388 | 298.15 | 0.723 | 13.629 | -4.064 |
N.G.Y.W.P.N | NC(=O)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O | 6 | 94 | 53 | 474 | 391 | -159.06605 | 39.644 | 298.15 | 1.265 | 7.454 | -2.222 |
Q.F.Meq.C.MeN.MeW | CN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CS)NC(=O)[C@H]1CCC(N)=O | 6 | 112 | 60 | 2,606 | 901 | -181.56866 | 48.947 | 298.15 | 0.559 | 10.938 | -3.261 |
I.A.G.L.W.P | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC1=O | 6 | 93 | 46 | 1,633 | 369 | -139.77554 | 72.644 | 298.15 | 0.213 | 12.031 | -3.587 |
P.W.S.T.Met.S | C[C@H](O)[C@@H]1C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 6 | 91 | 48 | 1,425 | 620 | -149.70216 | 38.973 | 298.15 | 0.557 | 9.869 | -2.943 |
p.MeG.W.G.P.Q | CN1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H]2C1=O | 6 | 86 | 46 | 889 | 565 | -138.92661 | 13.372 | 298.15 | 0.83 | 8.962 | -2.672 |
P.N.MeL.Y.Y.N | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N1C | 6 | 106 | 56 | 3,629 | 1,289 | -171.23289 | 22.439 | 298.15 | 1.014 | 12.594 | -3.755 |
L.T.W.V.L.A | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 102 | 49 | 6,053 | 1,806 | -151.18536 | 17.736 | 298.15 | 0.691 | 14.55 | -4.338 |
I.N.A.P.Q.G | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC1=O | 6 | 81 | 41 | 1,128 | 385 | -130.13237 | 41.286 | 298.15 | 0.556 | 10.093 | -3.009 |
V.Y.F.Meq.W.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O | 6 | 120 | 62 | 4,128 | 1,969 | -184.29978 | 61.084 | 298.15 | 0.347 | 12.362 | -3.686 |
MeL.Y.F.G.P.V | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1C | 6 | 100 | 50 | 3,119 | 1,355 | -150.99446 | 45.487 | 298.15 | 0.507 | 12.801 | -3.817 |
L.Y.c.W.Q.F | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 6 | 112 | 60 | 3,224 | 2,001 | -178.05013 | 30.979 | 298.15 | 0.718 | 11.81 | -3.521 |
A.N.P.I.I.G | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O | 6 | 83 | 40 | 2,807 | 324 | -126.80711 | 33.047 | 298.15 | 0.537 | 10.754 | -3.206 |
I.N.Mev.Mev.C.N | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(N)=O)NC1=O | 6 | 96 | 46 | 3,192 | 978 | -147.05005 | 79.872 | 298.15 | 0.145 | 13.205 | -3.937 |
G.N.V.P.T.I | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC1=O | 6 | 84 | 41 | 2,661 | 1,146 | -130.8682 | 28.777 | 298.15 | 0.547 | 12.372 | -3.689 |
T.T.c.L.Mew.s | CC(C)C[C@@H]1NC(=O)[C@@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C1=O | 6 | 96 | 49 | 2,989 | 1,383 | -153.06037 | 21.274 | 298.15 | 0.698 | 12.294 | -3.665 |
A.L.Q.Mec.A.G | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](CS)N(C)C(=O)[C@H](CCC(N)=O)NC1=O | 6 | 77 | 38 | 1,361 | 130 | -121.56545 | 25.369 | 298.15 | 0.336 | 12.875 | -3.839 |
P.c.S.MeW.N.Mef | CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]1Cc1ccccc1 | 6 | 100 | 54 | 2,735 | 1,646 | -162.1305 | 12.716 | 298.15 | 0.912 | 11.281 | -3.363 |
G.i.Y.W.MeG.F | CC[C@@H](C)[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 6 | 101 | 54 | 2,233 | 1,153 | -158.7982 | 24.32 | 298.15 | 0.346 | 11.776 | -3.511 |
MeA.Q.W.MeY.t.a | C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC1=O | 6 | 102 | 54 | 3,500 | 1,047 | -163.97622 | 48.199 | 298.15 | 0.37 | 12.121 | -3.614 |
F.G.V.Y.S.t | CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 6 | 89 | 47 | 1,350 | 742 | -144.30152 | 26.384 | 298.15 | 0.433 | 10.848 | -3.234 |
W.P.N.W.S.Mec | CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]1CS | 6 | 101 | 56 | 2,059 | 1,516 | -166.70833 | 10.155 | 298.15 | 1.235 | 10.865 | -3.239 |
Mes.f.V.Mev.L.C | CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CO)N(C)C(=O)[C@H](CS)NC1=O | 6 | 99 | 47 | 3,948 | 1,117 | -146.68448 | 77.342 | 298.15 | 0.156 | 13.634 | -4.065 |
C.T.T.Q.A.Men | C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@@H](CC(N)=O)N(C)C1=O | 6 | 83 | 43 | 1,527 | 598 | -139.35428 | 32.716 | 298.15 | 0.72 | 11.453 | -3.415 |
S.L.V.V.A.C | CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O | 6 | 83 | 39 | 3,372 | 1,403 | -125.46041 | 15.548 | 298.15 | 0.571 | 12.97 | -3.867 |
Y.Y.V.W.L.G | CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O | 6 | 108 | 57 | 3,058 | 1,726 | -169.21412 | 44.27 | 298.15 | 0.454 | 12.594 | -3.755 |
MeA.MeV.P.C.q.t | CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]([C@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N1C | 6 | 88 | 43 | 1,504 | 284 | -137.28204 | 90.555 | 298.15 | 0.162 | 10.422 | -3.107 |
T.L.A.L.A.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 91 | 41 | 6,349 | 2,033 | -131.71787 | 16.015 | 298.15 | 0.437 | 15.289 | -4.558 |
P.I.i.MeY.Y.MeA | CC[C@@H](C)[C@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O | 6 | 110 | 54 | 4,372 | 1,504 | -164.5692 | 24.618 | 298.15 | 0.511 | 14.206 | -4.236 |
t.t.C.F.G.f | C[C@H](O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]([C@H](C)O)NC1=O | 6 | 86 | 46 | 1,540 | 786 | -140.30444 | 16.507 | 298.15 | 0.807 | 11.659 | -3.476 |
I.T.C.S.V.F | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC1=O | 6 | 91 | 45 | 2,150 | 740 | -141.24958 | 42.603 | 298.15 | 0.437 | 11.378 | -3.392 |
F.P.I.W.Y.P | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 6 | 112 | 59 | 2,071 | 904 | -172.62108 | 11.72 | 298.15 | 0.72 | 12.81 | -3.819 |
MeG.G.F.F.MeG.L | CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CN(C)C1=O | 6 | 86 | 44 | 2,435 | 809 | -132.0884 | 38.587 | 298.15 | 0.486 | 12.522 | -3.733 |
T.Men.Q.F.Q.Mel | CC(C)C[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1C | 6 | 107 | 54 | 1,498 | 261 | -169.26821 | 76.951 | 298.15 | 0.229 | 10.532 | -3.14 |
Mef.Meq.V.P.MeV.P | CC(C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O | 6 | 106 | 51 | 3,262 | 627 | -156.50653 | 68.862 | 298.15 | 0.282 | 12.603 | -3.758 |
Mef.S.Y.L.F.Q | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 6 | 111 | 58 | 2,115 | 656 | -174.28875 | 35.404 | 298.15 | 0.27 | 11.982 | -3.572 |
A.S.W.C.Q.L | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O | 6 | 92 | 48 | 1,645 | 759 | -148.25658 | 37.804 | 298.15 | 0.494 | 10.135 | -3.022 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.