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.W.T.T.Y | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 87 | 48 | 984 | 413 | -145.70863 | 46.915 | 298.15 | 0.629 | 9.35 | -2.788 |
F.p.G.I.C | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC1=O | 5 | 71 | 36 | 2,000 | 1,100 | -109.77121 | 6.77 | 298.15 | 0.749 | 11.986 | -3.574 |
F.I.A.N.W | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O | 5 | 87 | 46 | 1,666 | 558 | -136.66273 | 27.055 | 298.15 | 0.534 | 11.446 | -3.413 |
W.Mef.Y.A.C | C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CS)NC1=O | 5 | 89 | 49 | 2,661 | 1,646 | -142.8788 | 7.839 | 298.15 | 0.742 | 11.904 | -3.549 |
W.I.I.T.A | CC[C@H](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]([C@@H](C)CC)NC1=O | 5 | 86 | 42 | 3,823 | 1,188 | -128.84421 | 17.042 | 298.15 | 0.555 | 12.701 | -3.787 |
t.P.S.W.V | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@H](C)O)NC1=O | 5 | 79 | 41 | 1,021 | 525 | -125.57001 | 42.942 | 298.15 | 0.594 | 9.975 | -2.974 |
G.Mew.F.S.Y | CN1C(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1c[nH]c2ccccc12 | 5 | 86 | 48 | 1,998 | 1,333 | -140.52543 | 12.13 | 298.15 | 0.769 | 10.898 | -3.249 |
MeS.I.MeY.MeV.Mel | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O | 5 | 98 | 45 | 10,491 | 2,893 | -140.99814 | 17.963 | 298.15 | 0.759 | 15.3 | -4.562 |
P.V.Mey.Men.Men | CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C1=O | 5 | 88 | 45 | 2,404 | 488 | -139.4228 | 24.965 | 298.15 | 0.367 | 13.537 | -4.036 |
MeS.V.A.W.MeY | CC(C)[C@@H]1NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O | 5 | 88 | 46 | 2,854 | 918 | -138.3086 | 20.675 | 298.15 | 0.63 | 13.624 | -4.062 |
C.I.Q.G.Q | CC[C@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 71 | 36 | 692 | 259 | -115.22122 | 23.974 | 298.15 | 0.637 | 9.335 | -2.783 |
P.W.T.W.C | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 87 | 48 | 1,532 | 1,288 | -141.04537 | 9.234 | 298.15 | 1.029 | 10.366 | -3.091 |
Y.V.Q.P.Mes | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CO)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O | 5 | 82 | 42 | 984 | 279 | -130.66988 | 29.791 | 298.15 | 0.435 | 10.908 | -3.252 |
F.I.Y.A.Y | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 91 | 48 | 3,462 | 1,721 | -142.29867 | 18.784 | 298.15 | 0.789 | 12.963 | -3.865 |
T.P.Q.L.MeA | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C)C1=O | 5 | 77 | 37 | 2,875 | 852 | -118.03279 | 47.613 | 298.15 | 0.507 | 12.209 | -3.64 |
T.s.MeW.w.Mew | C[C@@H](O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H](CO)NC1=O | 5 | 103 | 57 | 1,393 | 707 | -165.50687 | 16.222 | 298.15 | 0.512 | 11.549 | -3.443 |
MeL.Mec.P.N.C | CC(C)C[C@H]1C(=O)N(C)[C@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1C | 5 | 75 | 37 | 4,054 | 1,457 | -117.29184 | 14.219 | 298.15 | 0.734 | 13.092 | -3.903 |
A.Met.A.P.C | C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H]([C@H](C)O)N(C)C1=O | 5 | 62 | 31 | 1,863 | 445 | -98.9468 | 27.075 | 298.15 | 0.54 | 12.177 | -3.631 |
Y.C.G.Q.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 75 | 39 | 1,366 | 687 | -121.35306 | 10.659 | 298.15 | 0.752 | 11.543 | -3.442 |
Met.t.Q.S.A | C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H]([C@H](C)O)N(C)C1=O | 5 | 69 | 35 | 781 | 201 | -114.50829 | 50.937 | 298.15 | 0.5 | 9.825 | -2.929 |
V.A.I.MeQ.F | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C1=O | 5 | 85 | 41 | 2,840 | 916 | -126.69823 | 78.828 | 298.15 | 0.271 | 11.857 | -3.535 |
N.Q.C.T.I | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 5 | 75 | 38 | 1,424 | 809 | -122.45225 | 16.747 | 298.15 | 0.448 | 10.429 | -3.109 |
Q.I.G.L.F | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O | 5 | 82 | 40 | 2,445 | 711 | -123.5289 | 34.214 | 298.15 | 0.425 | 12.959 | -3.864 |
y.Mes.MeF.p.Mes | CN1C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CO)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CO | 5 | 86 | 45 | 3,924 | 1,462 | -136.78181 | 14.132 | 298.15 | 0.611 | 13.808 | -4.117 |
W.Mec.F.L.A | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CS)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O | 5 | 87 | 45 | 6,009 | 2,973 | -133.4128 | 14.29 | 298.15 | 0.887 | 14.107 | -4.206 |
c.c.a.I.C | CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@H](CS)NC1=O | 5 | 62 | 31 | 3,156 | 1,749 | -99.21626 | 14.517 | 298.15 | 0.994 | 13.082 | -3.9 |
Y.S.MeS.MeS.MeC | CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H]1CO | 5 | 74 | 39 | 3,310 | 1,415 | -123.87187 | 10.556 | 298.15 | 0.661 | 12.631 | -3.766 |
V.P.T.I.Y | 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](Cc2ccc(O)cc2)NC1=O | 5 | 84 | 41 | 2,334 | 531 | -127.33936 | 20.536 | 298.15 | 0.456 | 14.127 | -4.212 |
F.Q.Mef.N.G | CN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1Cc1ccccc1 | 5 | 81 | 44 | 1,528 | 711 | -132.24823 | 26.591 | 298.15 | 0.939 | 10.714 | -3.194 |
Mec.Mec.N.A.MeF | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CS)N(C)C(=O)[C@@H](CS)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 5 | 75 | 39 | 3,228 | 726 | -120.52103 | 20.539 | 298.15 | 0.465 | 13.268 | -3.956 |
Met.A.P.W.G | C[C@@H]1NC(=O)[C@@H]([C@H](C)O)N(C)C(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 5 | 72 | 38 | 1,158 | 468 | -115.16458 | 36.208 | 298.15 | 0.671 | 10.813 | -3.224 |
V.Y.S.Men.I | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O | 5 | 84 | 42 | 2,826 | 1,036 | -131.67356 | 25.415 | 298.15 | 0.443 | 12.929 | -3.855 |
Y.N.Y.I.w | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 99 | 54 | 2,116 | 1,476 | -159.70786 | 8.324 | 298.15 | 0.572 | 11.785 | -3.514 |
W.S.Y.N.S | NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC1=O | 5 | 81 | 46 | 1,108 | 983 | -139.36681 | 11.623 | 298.15 | 1.175 | 9.591 | -2.86 |
F.C.T.L.P | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 5 | 78 | 39 | 1,927 | 664 | -120.17037 | 8.155 | 298.15 | 0.56 | 13.4 | -3.995 |
Y.Y.L.T.N | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 89 | 47 | 2,203 | 1,188 | -144.30896 | 10.131 | 298.15 | 0.919 | 12.867 | -3.836 |
A.S.I.Q.T | CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 71 | 35 | 1,221 | 201 | -113.61061 | 54.365 | 298.15 | 0.312 | 10.105 | -3.013 |
A.Y.P.W.A | C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 79 | 43 | 1,374 | 599 | -126.90229 | 28.643 | 298.15 | 0.766 | 10.291 | -3.068 |
W.T.Y.MeW.P | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 100 | 55 | 1,737 | 1,132 | -159.93144 | 10.208 | 298.15 | 0.599 | 10.907 | -3.252 |
T.V.MeS.T.G | CC(C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)N(C)C1=O | 5 | 65 | 32 | 1,533 | 233 | -104.84317 | 57.494 | 298.15 | 0.547 | 10.704 | -3.192 |
Mei.MeV.Mei.Mei.A | CC[C@@H](C)[C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N[C@@H](C)C(=O)N1C | 5 | 95 | 40 | 4,867 | 222 | -127.47234 | 50.645 | 298.15 | 0.19 | 15.225 | -4.539 |
A.C.V.P.Y | CC(C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 5 | 72 | 37 | 2,565 | 1,033 | -113.85015 | 14.671 | 298.15 | 0.732 | 12.312 | -3.671 |
Q.G.Q.I.N | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 5 | 74 | 38 | 631 | 179 | -121.63806 | 27.994 | 298.15 | 0.518 | 8.629 | -2.573 |
a.T.p.F.P | C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 72 | 37 | 1,198 | 369 | -112.7559 | 53.348 | 298.15 | 0.745 | 9.252 | -2.758 |
W.I.Mev.F.V | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C1=O | 5 | 98 | 48 | 4,102 | 802 | -142.83544 | 49.502 | 298.15 | 0.354 | 13.253 | -3.951 |
Y.A.V.W.G | CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 78 | 42 | 2,424 | 1,448 | -124.74168 | 13.529 | 298.15 | 0.748 | 12.525 | -3.734 |
T.T.L.W.A | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 81 | 41 | 1,559 | 586 | -126.58189 | 60.339 | 298.15 | 0.262 | 11.56 | -3.447 |
P.Y.Y.L.A | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O | 5 | 85 | 44 | 3,271 | 1,546 | -132.73599 | 6.406 | 298.15 | 1.049 | 13.339 | -3.977 |
L.Mey.W.A.N | CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C1=O | 5 | 91 | 48 | 4,160 | 2,204 | -143.90662 | 19.535 | 298.15 | 0.561 | 12.932 | -3.856 |
MeW.Meq.L.V.P | CC(C)C[C@@H]1NC(=O)[C@@H](CCC(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O | 5 | 96 | 47 | 5,200 | 1,917 | -142.92763 | 43.665 | 298.15 | 0.364 | 13.265 | -3.955 |
I.L.Q.T.Y | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O | 5 | 90 | 44 | 2,864 | 977 | -138.01197 | 61.579 | 298.15 | 0.377 | 13.132 | -3.915 |
C.I.W.V.G | CC[C@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 77 | 39 | 3,153 | 1,794 | -118.52066 | 14.139 | 298.15 | 0.742 | 12.679 | -3.78 |
Q.T.MeA.G.L | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 70 | 34 | 986 | 139 | -109.54549 | 39.099 | 298.15 | 0.282 | 12.399 | -3.697 |
L.s.W.n.n | CC(C)C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CO)NC1=O | 5 | 82 | 44 | 902 | 488 | -135.50753 | 19.312 | 298.15 | 0.728 | 10.067 | -3.001 |
Y.Y.W.I.G | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O | 5 | 92 | 50 | 2,251 | 1,584 | -146.87197 | 13.142 | 298.15 | 0.843 | 11.614 | -3.463 |
Mey.I.C.N.G | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC1=O | 5 | 75 | 39 | 3,631 | 1,585 | -121.35141 | 13.391 | 298.15 | 0.664 | 12.067 | -3.598 |
S.Q.A.A.T | C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 62 | 32 | 612 | 219 | -104.109 | 79.785 | 298.15 | 0.255 | 7.849 | -2.34 |
MeL.q.Y.N.MeV | CC(C)C[C@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 5 | 93 | 46 | 3,647 | 1,482 | -143.60012 | 28.682 | 298.15 | 0.405 | 13.172 | -3.927 |
T.L.S.MeW.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](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CO)NC1=O | 5 | 88 | 45 | 1,198 | 402 | -139.40954 | 33.635 | 298.15 | 0.434 | 11.539 | -3.44 |
L.MeG.C.W.C | CC(C)C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CS)NC(=O)CN(C)C1=O | 5 | 75 | 39 | 2,512 | 1,638 | -118.60209 | 16.073 | 298.15 | 0.685 | 11.876 | -3.541 |
Y.Q.C.C.F | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O | 5 | 80 | 44 | 1,248 | 957 | -133.15504 | 5.085 | 298.15 | 0.685 | 10.397 | -3.1 |
V.N.F.A.L | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC1=O | 5 | 79 | 39 | 2,474 | 496 | -120.36577 | 68.475 | 298.15 | 0.367 | 12.917 | -3.851 |
Men.Men.Men.I.a | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](C)NC1=O | 5 | 80 | 40 | 3,434 | 538 | -127.96412 | 48.81 | 298.15 | 0.226 | 12.659 | -3.774 |
Mes.C.q.A.Met | C[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](CO)N(C)C(=O)[C@@H]([C@H](C)O)N(C)C1=O | 5 | 69 | 35 | 1,958 | 754 | -113.68619 | 45.563 | 298.15 | 0.446 | 10.577 | -3.153 |
G.V.S.P.MeF | CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O | 5 | 71 | 36 | 576 | 82 | -110.58581 | 50.849 | 298.15 | 0.247 | 9.817 | -2.927 |
MeS.T.Men.MeW.n | C[C@@H](O)[C@@H]1NC(=O)[C@H](CO)N(C)C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H](CC(N)=O)N(C)C1=O | 5 | 86 | 46 | 2,212 | 930 | -142.72949 | 56.726 | 298.15 | 0.522 | 10.437 | -3.112 |
P.A.MeN.W.A | C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)N(C)C1=O | 5 | 75 | 40 | 1,714 | 477 | -120.76337 | 32.465 | 298.15 | 0.623 | 10.869 | -3.241 |
Y.S.V.Q.W | CC(C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O | 5 | 89 | 48 | 1,599 | 937 | -144.80639 | 34.204 | 298.15 | 0.443 | 8.186 | -2.441 |
Mel.s.Mec.G.i | CC[C@@H](C)[C@H]1NC(=O)CNC(=O)[C@@H](CS)N(C)C(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)N(C)C1=O | 5 | 73 | 34 | 5,454 | 2,105 | -109.45007 | 23.954 | 298.15 | 0.588 | 13.702 | -4.085 |
q.MeL.V.q.L | CC(C)C[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCC(N)=O)NC1=O | 5 | 91 | 42 | 3,371 | 702 | -134.14832 | 91.654 | 298.15 | 0.083 | 13.748 | -4.099 |
L.MeI.MeI.G.Q | CC[C@H](C)[C@H]1C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1C | 5 | 87 | 39 | 6,237 | 1,385 | -124.46697 | 33.451 | 298.15 | 0.585 | 15.133 | -4.512 |
S.q.MeQ.V.P | CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O | 5 | 78 | 39 | 952 | 213 | -124.5265 | 38.928 | 298.15 | 0.57 | 10.257 | -3.058 |
I.P.L.MeT.Y | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O | 5 | 90 | 43 | 5,306 | 1,664 | -133.6628 | 19.306 | 298.15 | 0.617 | 14.264 | -4.253 |
W.S.G.Q.N | NC(=O)CC[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O | 5 | 73 | 41 | 111 | 110 | -126.00288 | 60.584 | 298.15 | 0.735 | 3.459 | -1.031 |
MeN.Mes.T.W.V | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CO)N(C)C(=O)[C@H](CC(N)=O)N(C)C1=O | 5 | 85 | 44 | 1,818 | 399 | -136.24467 | 52.493 | 298.15 | 0.254 | 10.951 | -3.265 |
P.N.I.V.I | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC1=O | 5 | 82 | 38 | 1,904 | 456 | -120.30297 | 53.438 | 298.15 | 0.293 | 13.008 | -3.878 |
N.q.Mel.Mec.Mec | CC(C)C[C@@H]1C(=O)N(C)[C@H](CS)C(=O)N(C)[C@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N1C | 5 | 81 | 40 | 4,180 | 1,185 | -127.95887 | 26.407 | 298.15 | 0.478 | 11.717 | -3.493 |
MeG.MeY.s.C.l | CC(C)C[C@H]1NC(=O)[C@H](CS)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CN(C)C1=O | 5 | 75 | 38 | 3,172 | 1,329 | -118.9255 | 17.111 | 298.15 | 0.705 | 13.242 | -3.948 |
Mei.Mei.T.S.C | CC[C@@H](C)[C@@H]1C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1C | 5 | 80 | 37 | 2,596 | 809 | -119.8499 | 24.061 | 298.15 | 0.413 | 12.16 | -3.626 |
N.F.S.W.c | NC(=O)C[C@@H]1NC(=O)[C@@H](CS)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 5 | 80 | 45 | 442 | 334 | -134.47479 | 17.631 | 298.15 | 0.898 | 7.836 | -2.336 |
P.t.Y.S.Q | C[C@H](O)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 77 | 41 | 1,434 | 889 | -128.39778 | 10.921 | 298.15 | 1.06 | 11.148 | -3.324 |
Q.Q.V.MeS.c | CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CS)NC(=O)[C@H](CO)N(C)C1=O | 5 | 75 | 38 | 749 | 261 | -122.45405 | 54.437 | 298.15 | 0.267 | 8.647 | -2.578 |
T.F.V.G.I | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 76 | 37 | 3,164 | 974 | -114.76764 | 28.976 | 298.15 | 0.786 | 13.185 | -3.931 |
I.T.F.P.P | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O | 5 | 81 | 40 | 3,896 | 1,486 | -122.25106 | 25.631 | 298.15 | 0.953 | 12.647 | -3.771 |
S.F.MeL.L.t | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)NC1=O | 5 | 86 | 41 | 4,244 | 2,167 | -128.33202 | 36.205 | 298.15 | 0.497 | 12.726 | -3.794 |
N.P.MeA.W.F | C[C@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N1C | 5 | 85 | 46 | 1,178 | 365 | -135.65553 | 21.631 | 298.15 | 0.442 | 9.766 | -2.912 |
C.L.G.Y.S | CC(C)C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O | 5 | 69 | 36 | 1,317 | 842 | -112.58574 | 14.729 | 298.15 | 0.654 | 10.569 | -3.151 |
f.F.S.W.t | C[C@H](O)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 5 | 89 | 49 | 1,001 | 570 | -143.68899 | 33.873 | 298.15 | 0.915 | 9.787 | -2.918 |
Q.l.y.y.W | CC(C)C[C@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O | 5 | 102 | 55 | 2,182 | 1,460 | -162.87951 | 24.215 | 298.15 | 0.648 | 11.535 | -3.439 |
F.A.N.L.Y | CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 84 | 44 | 1,502 | 660 | -132.99847 | 37.619 | 298.15 | 0.607 | 11.198 | -3.339 |
MeT.C.V.A.Mec | CC(C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](CS)N(C)C(=O)[C@H](C)NC1=O | 5 | 68 | 33 | 3,123 | 852 | -106.37197 | 22.879 | 298.15 | 0.395 | 12.16 | -3.625 |
C.T.I.Y.V | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 81 | 40 | 4,718 | 2,025 | -125.25715 | 3.841 | 298.15 | 0.738 | 14.318 | -4.269 |
C.C.W.G.S | O=C1CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)N1 | 5 | 64 | 36 | 1,311 | 1,296 | -109.99422 | 10.54 | 298.15 | 1.486 | 9.451 | -2.818 |
P.I.W.MeF.G | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 5 | 87 | 45 | 2,275 | 1,088 | -132.32177 | 16.168 | 298.15 | 0.573 | 12.711 | -3.79 |
C.A.V.G.G | CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC1=O | 5 | 51 | 26 | 1,045 | 456 | -83.22111 | 26.073 | 298.15 | 0.716 | 10.919 | -3.255 |
I.W.I.Y.V | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 5 | 99 | 49 | 6,446 | 2,897 | -146.90905 | 21.45 | 298.15 | 0.505 | 13.639 | -4.066 |
l.c.S.C.A | CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](CS)NC1=O | 5 | 62 | 31 | 2,299 | 1,174 | -100.03632 | 17.467 | 298.15 | 0.852 | 11.696 | -3.487 |
I.S.S.V.V | CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O | 5 | 73 | 34 | 2,522 | 369 | -110.27676 | 61.688 | 298.15 | 0.496 | 10.847 | -3.234 |
F.N.Mew.T.G | C[C@@H](O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 5 | 82 | 45 | 568 | 248 | -134.39854 | 56.729 | 298.15 | 0.724 | 7.919 | -2.361 |
A.A.F.MeI.Y | CC[C@H](C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 5 | 83 | 42 | 3,728 | 1,061 | -126.49944 | 30.266 | 298.15 | 0.589 | 13.804 | -4.116 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.