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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
N.L.N.P.W | CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC1=O | 5 | 85 | 45 | 704 | 329 | -136.76343 | 31.159 | 298.15 | 0.639 | 9.363 | -2.792 |
MeI.S.N.P.W | CC[C@H](C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C | 5 | 85 | 44 | 1,456 | 541 | -134.32593 | 20.005 | 298.15 | 0.512 | 11.141 | -3.322 |
Mes.MeV.C.V.s | CC(C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](CO)N(C)C(=O)[C@@H](CO)NC1=O | 5 | 71 | 34 | 2,205 | 237 | -110.36009 | 28.873 | 298.15 | 0.381 | 11.969 | -3.569 |
W.Mev.I.N.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 95 | 46 | 4,196 | 1,878 | -140.77274 | 55.426 | 298.15 | 0.321 | 13.063 | -3.895 |
N.l.Mel.G.P | CC(C)C[C@@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N1C | 5 | 76 | 36 | 4,376 | 1,299 | -113.96646 | 21.09 | 298.15 | 0.734 | 13.114 | -3.91 |
I.f.S.I.T | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 83 | 40 | 2,795 | 1,420 | -125.16503 | 37.606 | 298.15 | 0.347 | 12.125 | -3.615 |
MeI.Q.Met.P.F | CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 5 | 90 | 44 | 5,333 | 1,572 | -136.08806 | 13.8 | 298.15 | 0.623 | 13.486 | -4.021 |
a.I.F.MeC.Mew | CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CS)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 90 | 46 | 3,498 | 980 | -136.58131 | 19.99 | 298.15 | 0.562 | 13.779 | -4.108 |
Y.L.A.Men.Q | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](C)NC1=O | 5 | 84 | 43 | 3,292 | 1,751 | -134.10613 | 23.48 | 298.15 | 0.608 | 12.24 | -3.649 |
MeY.N.A.Y.F | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 89 | 49 | 2,696 | 1,150 | -145.62851 | 17.741 | 298.15 | 0.775 | 13.276 | -3.958 |
G.F.Y.F.G | O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN1 | 5 | 75 | 42 | 1,782 | 1,173 | -122.38248 | 8.701 | 298.15 | 0.842 | 11.799 | -3.518 |
S.S.G.N.F | NC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 63 | 35 | 459 | 379 | -109.4879 | 17.994 | 298.15 | 0.728 | 7.226 | -2.155 |
Q.T.C.G.V | CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 65 | 33 | 884 | 406 | -106.45724 | 29.025 | 298.15 | 0.485 | 10.395 | -3.099 |
c.G.Met.G.G | C[C@H](O)[C@@H]1C(=O)NCC(=O)NCC(=O)N[C@H](CS)C(=O)NCC(=O)N1C | 5 | 49 | 26 | 742 | 293 | -84.11871 | 23.416 | 298.15 | 0.476 | 8.611 | -2.567 |
L.P.Met.P.W | CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@H](C)O)N(C)C(=O)[C@@H]2CCCN2C1=O | 5 | 88 | 44 | 2,815 | 938 | -133.15979 | 11.007 | 298.15 | 0.774 | 13.363 | -3.984 |
V.Mey.T.F.Q | CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C1=O | 5 | 91 | 47 | 1,191 | 312 | -143.40294 | 47.191 | 298.15 | 0.309 | 11.519 | -3.435 |
Men.P.Men.C.V | CC(C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C1=O | 5 | 75 | 38 | 2,661 | 995 | -120.53863 | 25.009 | 298.15 | 0.663 | 11.594 | -3.457 |
I.T.W.s.A | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 78 | 40 | 2,354 | 1,270 | -123.4078 | 40.106 | 298.15 | 0.633 | 11.308 | -3.372 |
S.F.G.I.f | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 5 | 77 | 40 | 2,155 | 1,129 | -120.15157 | 15.005 | 298.15 | 0.657 | 11.709 | -3.491 |
I.L.S.W.W | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC1=O | 5 | 97 | 50 | 2,473 | 1,513 | -148.30575 | 37.2 | 298.15 | 0.464 | 12.195 | -3.636 |
Men.p.N.I.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)CC)NC1=O | 5 | 83 | 40 | 4,576 | 1,271 | -126.79007 | 36.947 | 298.15 | 0.762 | 12.937 | -3.857 |
T.G.MeW.V.N | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 5 | 78 | 41 | 1,096 | 450 | -125.83976 | 35.491 | 298.15 | 0.332 | 11.399 | -3.399 |
C.q.Mel.G.Mey | CC(C)C[C@@H]1C(=O)NCC(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(N)=O)C(=O)N1C | 5 | 81 | 41 | 2,402 | 781 | -127.68491 | 19.35 | 298.15 | 0.563 | 11.835 | -3.529 |
N.G.MeA.I.V | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC1=O | 5 | 69 | 33 | 2,697 | 559 | -105.47419 | 29.622 | 298.15 | 0.588 | 12.612 | -3.76 |
W.V.F.C.P | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 85 | 45 | 2,119 | 1,349 | -132.40386 | 21.172 | 298.15 | 1.01 | 11.845 | -3.532 |
S.A.P.P.C | C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 5 | 60 | 31 | 546 | 264 | -97.93986 | 37.553 | 298.15 | 0.889 | 7.108 | -2.119 |
G.F.Met.S.MeV | CC(C)[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N1C | 5 | 74 | 37 | 4,251 | 1,207 | -115.65933 | 23.204 | 298.15 | 0.48 | 13.417 | -4 |
S.P.F.W.G | O=C1CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)N1 | 5 | 76 | 42 | 387 | 303 | -123.71956 | 19.106 | 298.15 | 1.027 | 8.109 | -2.418 |
y.G.W.I.MeI | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)N(C)C1=O | 5 | 93 | 47 | 3,126 | 1,296 | -140.5711 | 45.53 | 298.15 | 0.386 | 12.52 | -3.733 |
I.N.Mec.A.Mec | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CS)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CS)N(C)C(=O)[C@H](CC(N)=O)NC1=O | 5 | 71 | 35 | 4,832 | 1,753 | -111.96837 | 29.083 | 298.15 | 0.811 | 13.05 | -3.891 |
n.C.n.n.MeA | C[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1C | 5 | 66 | 36 | 455 | 158 | -115.38801 | 38.631 | 298.15 | 0.539 | 8.06 | -2.403 |
MeV.Y.Men.S.MeF | CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 5 | 91 | 47 | 4,002 | 785 | -143.38931 | 20.794 | 298.15 | 0.798 | 13.258 | -3.953 |
Q.MeI.MeC.Mef.P | CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N1C | 5 | 90 | 44 | 5,276 | 1,601 | -135.26022 | 34.14 | 298.15 | 0.599 | 13.165 | -3.925 |
V.Q.Mev.N.A | CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CCC(N)=O)NC1=O | 5 | 76 | 37 | 1,883 | 338 | -118.30937 | 13.055 | 298.15 | 0.941 | 12.937 | -3.857 |
G.Q.P.s.F | NC(=O)CC[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C1=O | 5 | 69 | 37 | 321 | 220 | -113.9208 | 48.225 | 298.15 | 0.863 | 5.717 | -1.705 |
Y.Mef.G.Y.Mey | CN1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 5 | 96 | 53 | 2,727 | 995 | -154.93194 | 25.257 | 298.15 | 0.857 | 11.231 | -3.349 |
T.A.W.L.W | CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 91 | 48 | 3,447 | 2,158 | -141.97584 | 20.599 | 298.15 | 0.607 | 12.29 | -3.664 |
F.n.MeN.MeA.n | C[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(N)=O)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N1C | 5 | 78 | 42 | 998 | 232 | -130.18987 | 59.125 | 298.15 | 0.448 | 10.105 | -3.013 |
t.L.S.G.S | CC(C)C[C@@H]1NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC1=O | 5 | 62 | 31 | 2,897 | 1,541 | -101.6711 | 14.109 | 298.15 | 0.776 | 12.109 | -3.61 |
L.W.MeF.T.V | CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 96 | 48 | 4,430 | 2,013 | -143.73559 | 32.464 | 298.15 | 0.551 | 13.167 | -3.926 |
T.MeC.Q.Y.W | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)N(C)C1=O | 5 | 90 | 49 | 1,441 | 858 | -148.05575 | 29.585 | 298.15 | 0.758 | 9.723 | -2.899 |
W.S.MeL.L.A | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O | 5 | 86 | 42 | 3,527 | 1,781 | -128.84237 | 44.301 | 298.15 | 0.374 | 12.71 | -3.789 |
P.s.Meq.F.i | CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)N(C)C(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C1=O | 5 | 84 | 42 | 4,839 | 2,575 | -129.75397 | 33.101 | 298.15 | 0.562 | 11.073 | -3.301 |
I.Mei.A.L.V | CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1C | 5 | 86 | 37 | 5,594 | 1,573 | -117.98142 | 30.093 | 298.15 | 0.418 | 14.341 | -4.276 |
C.W.A.L.L | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC1=O | 5 | 83 | 41 | 5,246 | 3,216 | -124.85656 | 26.029 | 298.15 | 0.909 | 13.566 | -4.045 |
Mey.MeG.Mef.Meq.MeA | C[C@H]1C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N(C)CC(=O)N(C)[C@H](Cc2ccccc2)C(=O)N(C)[C@H](CCC(N)=O)C(=O)N1C | 5 | 90 | 46 | 4,469 | 468 | -139.32563 | 32.663 | 298.15 | 0.527 | 14.132 | -4.214 |
C.Y.Y.Y.P | O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CS)C(=O)N[C@H]1Cc1ccc(O)cc1 | 5 | 88 | 49 | 2,326 | 1,629 | -145.44371 | 3.009 | 298.15 | 1.034 | 13.181 | -3.93 |
P.S.L.V.Mef | CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC1=O | 5 | 83 | 40 | 3,438 | 1,053 | -123.25967 | 23.07 | 298.15 | 0.657 | 12.483 | -3.722 |
S.V.P.Q.i | CC[C@@H](C)[C@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O | 5 | 77 | 37 | 2,380 | 1,063 | -118.03092 | 30.306 | 298.15 | 0.722 | 11.735 | -3.499 |
MeS.Mel.C.A.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O | 5 | 76 | 35 | 4,073 | 977 | -112.62836 | 14.683 | 298.15 | 0.753 | 14.364 | -4.283 |
Mew.MeL.y.Meq.C | CC(C)C[C@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C | 5 | 101 | 52 | 9,312 | 5,520 | -156.65397 | 14.774 | 298.15 | 0.727 | 14.04 | -4.186 |
S.W.Y.L.T | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 89 | 47 | 1,764 | 895 | -142.37609 | 31.926 | 298.15 | 0.812 | 11.742 | -3.501 |
MeF.MeF.C.N.L | CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 5 | 90 | 46 | 4,664 | 1,551 | -138.49694 | 13.94 | 298.15 | 0.756 | 14.09 | -4.201 |
Q.p.F.T.W | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 89 | 48 | 1,217 | 702 | -142.89121 | 14.724 | 298.15 | 0.765 | 9.928 | -2.96 |
I.G.p.V.T | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]2CCCN2C(=O)CNC1=O | 5 | 70 | 33 | 2,329 | 983 | -105.2051 | 16.637 | 298.15 | 0.541 | 12.318 | -3.673 |
n.Q.S.C.Q | NC(=O)CC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 5 | 70 | 38 | 178 | 178 | -122.61905 | 36.403 | 298.15 | 1.138 | 5.822 | -1.736 |
F.Mew.Mev.C.Mes | CC(C)[C@@H]1C(=O)N[C@@H](CS)C(=O)N(C)[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C | 5 | 91 | 47 | 3,723 | 1,667 | -140.64059 | 50.149 | 298.15 | 0.305 | 11.705 | -3.49 |
W.Y.a.A.F | C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 85 | 47 | 3,480 | 1,625 | -136.46752 | 5.69 | 298.15 | 0.823 | 12.813 | -3.82 |
V.V.L.C.V | CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC1=O | 5 | 78 | 35 | 5,327 | 1,964 | -111.72749 | 27.094 | 298.15 | 0.724 | 13.28 | -3.96 |
F.A.F.C.G | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 68 | 37 | 1,393 | 820 | -109.83343 | 11.989 | 298.15 | 0.83 | 11.566 | -3.449 |
w.MeS.Mew.Mew.Men | CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]1CC(N)=O | 5 | 109 | 60 | 3,670 | 2,075 | -174.25585 | 41.142 | 298.15 | 0.644 | 12.269 | -3.658 |
L.P.A.N.Q | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O | 5 | 74 | 37 | 2,039 | 1,010 | -117.29591 | 19.667 | 298.15 | 0.568 | 11.678 | -3.482 |
V.N.MeQ.MeV.G | CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC1=O | 5 | 76 | 37 | 1,458 | 116 | -118.30593 | 78.317 | 298.15 | 0.274 | 11.543 | -3.441 |
S.T.W.C.Y | C[C@@H](O)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 81 | 45 | 894 | 614 | -136.1204 | 9.311 | 298.15 | 0.602 | 10.295 | -3.069 |
T.L.V.Men.P | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](C(C)C)NC1=O | 5 | 80 | 38 | 3,925 | 974 | -121.20258 | 18.351 | 298.15 | 0.762 | 12.741 | -3.799 |
Y.Q.V.Q.T | CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 85 | 44 | 813 | 166 | -138.17904 | 26.455 | 298.15 | 0.488 | 10.899 | -3.249 |
S.l.G.T.W | CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC1=O | 5 | 75 | 39 | 2,081 | 1,165 | -120.24108 | 18.416 | 298.15 | 0.738 | 11.572 | -3.45 |
y.n.y.T.Mel | CC(C)C[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C | 5 | 92 | 48 | 3,997 | 2,014 | -147.47267 | 3.213 | 298.15 | 0.595 | 13.582 | -4.049 |
N.C.N.MeN.V | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC1=O | 5 | 72 | 38 | 1,287 | 617 | -121.7169 | 29.444 | 298.15 | 0.586 | 10.863 | -3.239 |
I.P.F.T.S | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 5 | 78 | 39 | 1,219 | 430 | -120.99042 | 31.473 | 298.15 | 0.491 | 10.761 | -3.208 |
L.MeV.S.F.P | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C1=O | 5 | 83 | 40 | 4,693 | 1,533 | -123.255 | 20.189 | 298.15 | 0.57 | 13.214 | -3.94 |
G.C.A.I.Q | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 64 | 32 | 1,391 | 724 | -102.38712 | 17.875 | 298.15 | 0.524 | 11.222 | -3.346 |
Q.A.G.F.P | C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 5 | 68 | 36 | 493 | 221 | -109.85429 | 30.384 | 298.15 | 0.612 | 7.977 | -2.378 |
A.T.L.MeQ.MeY | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CCC(N)=O)N(C)C1=O | 5 | 87 | 43 | 3,530 | 651 | -134.84486 | 20.805 | 298.15 | 0.403 | 14.431 | -4.303 |
Mew.C.p.MeC.F | CN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H]1Cc1c[nH]c2ccccc12 | 5 | 86 | 46 | 4,394 | 2,820 | -135.65077 | 7.863 | 298.15 | 0.911 | 13.341 | -3.978 |
T.A.W.S.q | C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 76 | 41 | 424 | 191 | -126.74547 | 34.428 | 298.15 | 0.674 | 8.74 | -2.606 |
T.T.Y.G.Y | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 77 | 42 | 990 | 459 | -129.21302 | 18.618 | 298.15 | 0.469 | 9.849 | -2.936 |
N.A.I.A.G | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC1=O | 5 | 60 | 30 | 953 | 282 | -95.97408 | 34.535 | 298.15 | 0.45 | 11.085 | -3.305 |
MeC.Q.V.f.L | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)N(C)C1=O | 5 | 86 | 42 | 5,963 | 2,857 | -129.94832 | 19.827 | 298.15 | 0.893 | 13.575 | -4.047 |
I.l.S.l.F | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC1=O | 5 | 88 | 41 | 8,156 | 4,983 | -127.43235 | 57.632 | 298.15 | 0.344 | 14.593 | -4.351 |
F.G.V.F.S | CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 74 | 39 | 1,793 | 763 | -116.9845 | 21.565 | 298.15 | 0.715 | 10.947 | -3.264 |
MeL.T.L.C.G | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H](CS)NC1=O | 5 | 73 | 34 | 3,429 | 1,144 | -109.46015 | 26.737 | 298.15 | 0.583 | 12.517 | -3.732 |
P.Y.Mew.W.w | CN1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]1Cc1c[nH]c2ccccc12 | 5 | 110 | 62 | 3,205 | 2,414 | -175.33557 | 9.875 | 298.15 | 1.082 | 11.784 | -3.513 |
I.C.C.A.L | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O | 5 | 70 | 33 | 3,481 | 1,848 | -105.47003 | 27.637 | 298.15 | 0.683 | 12.165 | -3.627 |
Y.P.S.Mev.F | CC(C)[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N1C | 5 | 85 | 44 | 2,013 | 524 | -132.72465 | 14.502 | 298.15 | 0.659 | 12.985 | -3.872 |
W.MeL.V.N.T | CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C | 5 | 90 | 45 | 2,803 | 1,316 | -138.50926 | 49.554 | 298.15 | 0.288 | 11.543 | -3.442 |
W.V.Met.Y.S | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@H](C)O)N(C)C1=O | 5 | 89 | 47 | 2,281 | 1,350 | -142.37443 | 28.866 | 298.15 | 0.563 | 11.17 | -3.33 |
Mey.Meq.I.MeC.W | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CS)N(C)C1=O | 5 | 101 | 52 | 8,371 | 3,491 | -156.6488 | 9.397 | 298.15 | 0.91 | 14.628 | -4.361 |
Y.F.C.C.W | O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C(=O)N[C@H]1CS | 5 | 87 | 49 | 2,119 | 1,817 | -142.9541 | 11.234 | 298.15 | 1.553 | 11.729 | -3.497 |
I.T.N.C.MeN | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 75 | 38 | 611 | 126 | -122.45392 | 54.836 | 298.15 | 0.32 | 10.433 | -3.111 |
S.I.MeQ.W.Q | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)N(C)C1=O | 5 | 91 | 47 | 1,865 | 984 | -145.00051 | 36.107 | 298.15 | 0.628 | 10.674 | -3.182 |
MeQ.S.L.Mes.c | CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](CS)NC(=O)[C@@H](CO)N(C)C1=O | 5 | 75 | 37 | 1,170 | 306 | -120.01901 | 31.141 | 298.15 | 0.284 | 11.384 | -3.394 |
Mel.P.Q.L.T | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 86 | 40 | 5,224 | 2,398 | -127.53512 | 34.528 | 298.15 | 0.572 | 12.944 | -3.859 |
C.S.A.Y.V | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC1=O | 5 | 69 | 36 | 1,857 | 920 | -112.58804 | 7.741 | 298.15 | 0.528 | 12.476 | -3.72 |
I.Q.L.MeY.C | CC[C@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 90 | 44 | 4,248 | 2,274 | -137.18665 | 20.33 | 298.15 | 0.677 | 13.718 | -4.09 |
Y.W.w.S.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 99 | 54 | 1,434 | 845 | -157.77304 | 26.576 | 298.15 | 0.529 | 10.144 | -3.024 |
s.MeG.Mew.Mew.G | CN1CC(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@H](CO)C1=O | 5 | 82 | 45 | 3,093 | 1,134 | -132.46334 | 11.102 | 298.15 | 0.604 | 12.699 | -3.786 |
Y.Mef.Mef.I.MeT | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)N(C)C1=O | 5 | 103 | 52 | 6,216 | 1,995 | -154.95023 | 23.528 | 298.15 | 0.425 | 14.456 | -4.31 |
N.I.N.Mei.i | CC[C@@H](C)[C@H]1NC(=O)[C@@H]([C@H](C)CC)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 5 | 88 | 41 | 1,666 | 319 | -130.96941 | 56.733 | 298.15 | 0.227 | 11.756 | -3.505 |
Mel.V.W.MeF.MeS | CC(C)C[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CO)C(=O)N1C | 5 | 99 | 49 | 7,195 | 2,656 | -146.89074 | 29.845 | 298.15 | 0.575 | 13.976 | -4.167 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.