A0A077ZCV2_TRITR Loading...

Polysacc synt 4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.3Low75.9Confident167 Ų16765.3 Ų65.382%0.82332%0.323SS*.  0-47.30-66.9166.3-170.200109.1A3 Y4 E5M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.63Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-Y4 PolarHBondContact O-N 2.72Å; M1-E5 VanDerWaalsContact CB-OE1 3.29Å; M1-E5 WeakPolarHBondContact CB-OE1 3.48Å; M1-E5 PolarHBondContact O-N 2.65Å
2L72.9Confident76.6Confident90 Ų9068.6 Ų68.647%0.47134%0.343SS..Hα-helixtrans-48.3-41.5179.4-167.661.7000116.8E5 N6 F77L2-E5 PolarHBondContact O-N 3.27Å; L2-N6 WeakPolarHBondContact O-CB 3.24Å; L2-N6 PolarHBondContact O-N 3Å; L2-N6 PolarHBondContact O-ND2 3.47Å; L2-N6 PolarHBondContact O-OD1 2.98Å; L2-F77 HydrophobicContact CD2-CE1 4.17Å; L2-F77 HydrophobicContact CD2-CZ 3.82Å; L2-F77 HydrophobicContact CG-CZ 4.49Å
3A69.2Low77.2Confident19 Ų1969.2 Ų69.216%0.15735%0.347CS..Hα-helixtrans-66.6-37.1179.300000113.2M1 A7 L80M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 2.63Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-A7 PolarHBondContact O-N 3.44Å; A3-A7 VanDerWaalsContact O-N 3.16Å; A3-L80 HydrophobicContact CB-CG 4.25Å
4Y71.5Confident77.7Confident50 Ų5064.2 Ų64.220%0.19632%0.322CS..Hα-helixtrans-72.3-45.7174.4-79.6-84.1000110.8M1 N6 A7 D8 L80 T94 L96M1-Y4 PolarHBondContact O-N 2.72Å; Y4-N6 PolarHBondContact O-N 3.46Å; Y4-A7 CarbonylContact O-C 3.57Å; Y4-A7 WeakPolarHBondContact O-CA 3.41Å; Y4-A7 WeakPolarHBondContact O-CB 3.41Å; Y4-A7 PolarHBondContact O-N 3.45Å; Y4-D8 VanDerWaalsContact O-CG 3.32Å; Y4-D8 PolarHBondContact O-N 2.95Å; Y4-L80 HydrophobicContact CD1-CD1 3.91Å; Y4-L80 HydrophobicContact CD2-CD1 4.32Å; Y4-L80 HydrophobicContact CE1-CD1 4.02Å; Y4-L80 HydrophobicContact CE2-CD1 4.42Å; Y4-L80 HydrophobicContact CG-CD1 4.07Å; Y4-T94 HydrophobicContact CD1-CG2 3.95Å; Y4-T94 HydrophobicContact CD2-CG2 4.08Å; Y4-T94 HydrophobicContact CE1-CG2 3.52Å; Y4-T94 HydrophobicContact CE2-CG2 3.66Å; Y4-T94 HydrophobicContact CG-CG2 4.21Å; Y4-L96 HydrophobicContact CD2-CB 4.35Å; Y4-L96 HydrophobicContact CD2-CD1 4.46Å; Y4-L96 HydrophobicContact CD2-CD2 4.24Å; Y4-L96 HydrophobicContact CE2-CB 3.92Å; Y4-L96 HydrophobicContact CE2-CD1 4.05Å; Y4-L96 HydrophobicContact CE2-CG 4.37Å
5E73Confident78Confident85 Ų8563.7 Ų63.740%0.39733%0.327SS..Hα-helixtrans-58.4-36.4176.1-68.3167-148.300112.7M1 L2 K9M1-E5 VanDerWaalsContact CB-OE1 3.29Å; M1-E5 WeakPolarHBondContact CB-OE1 3.48Å; M1-E5 PolarHBondContact O-N 2.65Å; L2-E5 PolarHBondContact O-N 3.27Å; E5-K9 WeakPolarHBondContact O-CB 3.47Å; E5-K9 WeakPolarHBondContact O-CD 3.31Å; E5-K9 VanDerWaalsContact O-CG 3.25Å; E5-K9 WeakPolarHBondContact O-CG 3.39Å; E5-K9 PolarHBondContact O-N 3Å; E5-K9 VanDerWaalsContact O-N 3.11Å
6N79.6Confident78.2Confident57 Ų5764.6 Ų64.631%0.30534%0.341SS..Hα-helixtrans-69.4-37.5175-72.6-13000111.8L2 Y4 H10L2-N6 WeakPolarHBondContact O-CB 3.24Å; L2-N6 PolarHBondContact O-N 3Å; L2-N6 PolarHBondContact O-ND2 3.47Å; L2-N6 PolarHBondContact O-OD1 2.98Å; Y4-N6 PolarHBondContact O-N 3.46Å; N6-H10 VanDerWaalsContact O-CB 3.27Å; N6-H10 WeakPolarHBondContact O-CB 3.2Å; N6-H10 PolarHBondContact O-N 3.26Å
7A79.6Confident78.2Confident3 Ų362.9 Ų62.93%0.02534%0.335CS..Hα-helixtrans-66.5-45.8175.600000111.4A3 Y4 H10 M11 L80 Y89A3-A7 PolarHBondContact O-N 3.44Å; A3-A7 VanDerWaalsContact O-N 3.16Å; Y4-A7 CarbonylContact O-C 3.57Å; Y4-A7 WeakPolarHBondContact O-CA 3.41Å; Y4-A7 WeakPolarHBondContact O-CB 3.41Å; Y4-A7 PolarHBondContact O-N 3.45Å; A7-H10 WeakPolarHBondContact O-CB 3.49Å; A7-H10 PolarHBondContact O-N 3.08Å; A7-M11 WeakPolarHBondContact O-CB 3.45Å; A7-M11 PolarHBondContact O-N 3.2Å; A7-L80 HydrophobicContact CB-CB 4.2Å; A7-L80 HydrophobicContact CB-CD1 4.1Å; A7-Y89 HydrophobicContact CB-CD1 3.9Å; A7-Y89 HydrophobicContact CB-CD2 3.97Å; A7-Y89 HydrophobicContact CB-CE1 3.8Å; A7-Y89 HydrophobicContact CB-CE2 3.89Å; A7-Y89 HydrophobicContact CB-CG 3.96Å; A7-Y89 WeakPolarHBondContact O-CE2 2.99Å
8D79.7Confident78.2Confident89 Ų8962.6 Ų62.648%0.47633%0.333SS..Hα-helixtrans-59.3-50.4177.9-64.5-17.7000110.7Y4 H10 M11 D12Y4-D8 VanDerWaalsContact O-CG 3.32Å; Y4-D8 PolarHBondContact O-N 2.95Å; D8-H10 VanDerWaalsContact C-N 3.29Å; D8-H10 PolarHBondContact O-N 3.39Å; D8-M11 PolarHBondContact O-N 2.86Å; D8-M11 VanDerWaalsContact O-N 3.08Å; D8-D12 PolarHBondContact O-N 3.3Å
9K83Confident78.4Confident123 Ų12359.4 Ų59.454%0.53532%0.316SS..Hα-helixtrans-59-40.9175.8-73.4170.5-174.3167.10112.4E5 M11 L13E5-K9 WeakPolarHBondContact O-CB 3.47Å; E5-K9 WeakPolarHBondContact O-CD 3.31Å; E5-K9 VanDerWaalsContact O-CG 3.25Å; E5-K9 WeakPolarHBondContact O-CG 3.39Å; E5-K9 PolarHBondContact O-N 3Å; E5-K9 VanDerWaalsContact O-N 3.11Å; K9-M11 VanDerWaalsContact C-N 3.32Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.24Å; K9-L13 PolarHBondContact O-N 3.12Å; K9-L13 VanDerWaalsContact O-N 3.09Å
10H84.3Confident78.3Confident10 Ų1063.4 Ų63.45%0.04633%0.327CS..Hα-helixtrans-65-40.1177.2179.4-107000111.1N6 A7 D8 L13 I14 F120 E124N6-H10 VanDerWaalsContact O-CB 3.27Å; N6-H10 WeakPolarHBondContact O-CB 3.2Å; N6-H10 PolarHBondContact O-N 3.26Å; A7-H10 WeakPolarHBondContact O-CB 3.49Å; A7-H10 PolarHBondContact O-N 3.08Å; D8-H10 VanDerWaalsContact C-N 3.29Å; D8-H10 PolarHBondContact O-N 3.39Å; H10-L13 PolarHBondContact O-N 3.29Å; H10-I14 PolarHBondContact O-N 2.91Å; H10-F120 HydrophobicContact CB-CZ 4.36Å; H10-F120 AromaticContact CD2-CZ 3.69Å; H10-F120 AromaticContact CE1-CZ 3.9Å; H10-F120 AromaticContact CG-CZ 3.7Å; H10-F120 AromaticContact ND1-CZ 3.83Å; H10-F120 AromaticContact NE2-CZ 3.81Å; H10-E124 IonicContact CE1-OE2 3.95Å; H10-E124 PolarHBondContact CE1-OE2 2.84Å; H10-E124 VanDerWaalsContact CE1-OE2 3.3Å; H10-E124 IonicContact NE2-OE2 3.3Å
11M82.8Confident78.3Confident25 Ų2567.2 Ų67.212%0.12334%0.342CS..Hα-helixtrans-66.5-41.2178.9-159.155-169.100112.3A7 D8 K9 L13 I14 S15 E88 Y89 I136A7-M11 WeakPolarHBondContact O-CB 3.45Å; A7-M11 PolarHBondContact O-N 3.2Å; D8-M11 PolarHBondContact O-N 2.86Å; D8-M11 VanDerWaalsContact O-N 3.08Å; K9-M11 VanDerWaalsContact C-N 3.32Å; M11-L13 VanDerWaalsContact C-N 3.31Å; M11-L13 PolarHBondContact O-N 3.15Å; M11-I14 HydrophobicContact CE-CD1 4.35Å; M11-I14 WeakPolarHBondContact O-CG1 3.43Å; M11-I14 PolarHBondContact O-N 3.04Å; M11-I14 HydrophobicContact SD-CD1 3.53Å; M11-I14 VanDerWaalsContact SD-CD1 3.53Å; M11-I14 HydrophobicContact SD-CG1 3.85Å; M11-S15 WeakPolarHBondContact O-CB 3.37Å; M11-S15 PolarHBondContact O-N 2.63Å; M11-S15 PolarHBondContact O-OG 2.76Å; M11-E88 HydrophobicContact CE-CB 4.47Å; M11-E88 HydrophobicContact CE-CG 4.08Å; M11-Y89 HydrophobicContact CB-CD2 4.02Å; M11-Y89 HydrophobicContact CB-CE2 4.26Å; M11-Y89 HydrophobicContact CG-CD2 4.27Å; M11-Y89 HydrophobicContact SD-CD2 4.26Å; M11-Y89 HydrophobicContact SD-CE2 4.42Å; M11-I136 HydrophobicContact CE-CG2 4.14Å
12D84.2Confident79.5Confident105 Ų10560.4 Ų60.456%0.56131%0.308SS*.Hα-helixtrans-60.3-41172.9-71.3-18.9000111.6D8 S15 S16D8-D12 PolarHBondContact O-N 3.3Å; D12-S15 WeakPolarHBondContact CA-OG 3.17Å; D12-S15 PolarHBondContact O-OG 3.1Å; D12-S15 VanDerWaalsContact O-OG 3.12Å; D12-S16 WeakPolarHBondContact O-CB 3.26Å; D12-S16 PolarHBondContact O-N 2.97Å; D12-S16 PolarHBondContact O-OG 2.91Å
13L84.4Confident80.2Confident76 Ų7662.1 Ų62.140%0.39831%0.313SS..Hα-helixtrans-64.4-50.8178-73.3168.9000111.4K9 H10 M11 S15 S16 C17 L22K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.24Å; K9-L13 PolarHBondContact O-N 3.12Å; K9-L13 VanDerWaalsContact O-N 3.09Å; H10-L13 PolarHBondContact O-N 3.29Å; M11-L13 VanDerWaalsContact C-N 3.31Å; M11-L13 PolarHBondContact O-N 3.15Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 2.9Å; L13-S16 PolarHBondContact O-N 3.03Å; L13-S16 PolarHBondContact O-OG 3.18Å; L13-C17 PolarHBondContact O-N 2.78Å; L13-C17 VanDerWaalsContact O-N 3.1Å; L13-C17 PolarHBondContact O-SG 3.5Å; L13-L22 HydrophobicContact CB-CD1 4.41Å; L13-L22 HydrophobicContact CB-CD2 4.03Å; L13-L22 HydrophobicContact CD1-CD1 4.43Å; L13-L22 HydrophobicContact CD2-CD1 4.31Å
14I83.6Confident81.2Confident0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-71.7-24.5-175.668.2179.1000113.4H10 M11 C19 L22 I136H10-I14 PolarHBondContact O-N 2.91Å; M11-I14 HydrophobicContact CE-CD1 4.35Å; M11-I14 WeakPolarHBondContact O-CG1 3.43Å; M11-I14 PolarHBondContact O-N 3.04Å; M11-I14 HydrophobicContact SD-CD1 3.53Å; M11-I14 VanDerWaalsContact SD-CD1 3.53Å; M11-I14 HydrophobicContact SD-CG1 3.85Å; I14-C19 VanDerWaalsContact CA-SG 3.53Å; I14-C19 PolarHBondContact O-SG 2.52Å; I14-L22 HydrophobicContact CG2-CD2 4.08Å; I14-I136 HydrophobicContact CD1-CD1 3.69Å; I14-I136 HydrophobicContact CG1-CD1 4.35Å
15S82.4Confident82Confident57 Ų5762.1 Ų62.140%0.39932%0.316SS..Hα-helixtrans-81.2-31.7174.358.40000112.9M11 D12 L13M11-S15 WeakPolarHBondContact O-CB 3.37Å; M11-S15 PolarHBondContact O-N 2.63Å; M11-S15 PolarHBondContact O-OG 2.76Å; D12-S15 WeakPolarHBondContact CA-OG 3.17Å; D12-S15 PolarHBondContact O-OG 3.1Å; D12-S15 VanDerWaalsContact O-OG 3.12Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 2.9Å
16S82.3Confident82.8Confident78 Ų7863.5 Ų63.555%0.54533%0.334SS..Hα-helixtrans-90.7-28-174.564.60000115D12 L13 R137D12-S16 WeakPolarHBondContact O-CB 3.26Å; D12-S16 PolarHBondContact O-N 2.97Å; D12-S16 PolarHBondContact O-OG 2.91Å; L13-S16 PolarHBondContact O-N 3.03Å; L13-S16 PolarHBondContact O-OG 3.18Å; S16-R137 PolarHBondContact O-NH2 3.36Å
17C76.7Confident83.4Confident35 Ų3561.8 Ų61.824%0.23633%0.326CS..SBendtrans-119.7165.1-170.4830000114.2L13 C19 R137L13-C17 PolarHBondContact O-N 2.78Å; L13-C17 VanDerWaalsContact O-N 3.1Å; L13-C17 PolarHBondContact O-SG 3.5Å; C17-C19 PolarHBondContact O-N 3.43Å; C17-C19 VanDerWaalsContact O-N 3.16Å; C17-R137 PolarHBondContact O-NH1 3.42Å
18D78.8Confident84.1Confident57 Ų5761.9 Ų61.931%0.30533%0.326SS..  trans-75.1102.5169.4-176.3-14.5000108R20 F21 R137D18-R20 PolarHBondContact O-N 2.96Å; D18-R20 WeakPolarHBondContact OD1-CB 3.32Å; D18-R20 WeakPolarHBondContact OD1-CG 3.19Å; D18-R20 PolarHBondContact OD1-N 2.82Å; D18-R20 VanDerWaalsContact OD1-N 3.15Å; D18-R20 IonicContact OD1-NE 3.48Å; D18-R20 PolarHBondContact OD1-NE 2.82Å; D18-R20 VanDerWaalsContact OD1-NE 3.13Å; D18-R20 IonicContact OD1-NH2 3.87Å; D18-R20 IonicContact OD2-CZ 2.63Å; D18-R20 IonicContact OD2-NE 2.87Å; D18-R20 PolarHBondContact OD2-NE 2.77Å; D18-R20 IonicContact OD2-NH2 3.1Å; D18-R20 PolarHBondContact OD2-NH2 3.18Å; D18-F21 HydrophobicContact CB-CD2 4.19Å; D18-F21 PolarHBondContact O-N 3.22Å; D18-F21 VanDerWaalsContact O-N 3.11Å; D18-R137 VanDerWaalsContact N-NH1 3.13Å
19C81.5Confident84.8Confident2 Ų262.9 Ų62.91%0.01433%0.328CS..G310 helixtrans-57.2-22.3-174-56.80000113.5I14 C17 F21 L22 N128 N133I14-C19 VanDerWaalsContact CA-SG 3.53Å; I14-C19 PolarHBondContact O-SG 2.52Å; C17-C19 PolarHBondContact O-N 3.43Å; C17-C19 VanDerWaalsContact O-N 3.16Å; C19-F21 PolarHBondContact O-N 3.04Å; C19-F21 VanDerWaalsContact O-N 3.15Å; C19-L22 WeakPolarHBondContact O-CB 3.25Å; C19-L22 PolarHBondContact O-N 2.82Å; C19-L22 VanDerWaalsContact O-N 3.09Å; C19-N128 WeakPolarHBondContact CB-OD1 3.13Å; C19-N128 WeakPolarHBondContact O-CB 3.24Å; C19-N133 HydrophobicContact CB-CB 4.04Å
20R77.9Confident85.4Confident139 Ų13960.5 Ų60.553%0.52532%0.319SS..G310 helixtrans-61.5-24.2178.6-66179.8-64171.91.7112.9D18 R129D18-R20 PolarHBondContact O-N 2.96Å; D18-R20 WeakPolarHBondContact OD1-CB 3.32Å; D18-R20 WeakPolarHBondContact OD1-CG 3.19Å; D18-R20 PolarHBondContact OD1-N 2.82Å; D18-R20 VanDerWaalsContact OD1-N 3.15Å; D18-R20 IonicContact OD1-NE 3.48Å; D18-R20 PolarHBondContact OD1-NE 2.82Å; D18-R20 VanDerWaalsContact OD1-NE 3.13Å; D18-R20 IonicContact OD1-NH2 3.87Å; D18-R20 IonicContact OD2-CZ 2.63Å; D18-R20 IonicContact OD2-NE 2.87Å; D18-R20 PolarHBondContact OD2-NE 2.77Å; D18-R20 IonicContact OD2-NH2 3.1Å; D18-R20 PolarHBondContact OD2-NH2 3.18Å; R20-R129 PolarHBondContact O-NH1 3.41Å
21F77Confident86Confident145 Ų14560 Ų6064%0.63632%0.317SS*.G310 helixtrans-106.20.3178.8-54.8-75.3000113.1D18 C19 H23D18-F21 HydrophobicContact CB-CD2 4.19Å; D18-F21 PolarHBondContact O-N 3.22Å; D18-F21 VanDerWaalsContact O-N 3.11Å; C19-F21 PolarHBondContact O-N 3.04Å; C19-F21 VanDerWaalsContact O-N 3.15Å; F21-H23 PolarHBondContact O-N 2.96Å; F21-H23 PolarHBondContact O-ND1 3.26Å
22L85.3Confident86.7Confident24 Ų2461.6 Ų61.613%0.12632%0.322CS..  trans-73.5119.4179.1-175.764.4000109.7L13 I14 C19 L24L13-L22 HydrophobicContact CB-CD1 4.41Å; L13-L22 HydrophobicContact CB-CD2 4.03Å; L13-L22 HydrophobicContact CD1-CD1 4.43Å; L13-L22 HydrophobicContact CD2-CD1 4.31Å; I14-L22 HydrophobicContact CG2-CD2 4.08Å; C19-L22 WeakPolarHBondContact O-CB 3.25Å; C19-L22 PolarHBondContact O-N 2.82Å; C19-L22 VanDerWaalsContact O-N 3.09Å; L22-L24 HydrophobicContact CD2-CD2 3.89Å; L22-L24 HydrophobicContact CG-CD2 3.98Å
23H87.3Confident87.3Confident125 Ų12560 Ų6058%0.57932%0.318SS*.  trans-98.3124.3174.4-66.178.1000109.4F21 D28F21-H23 PolarHBondContact O-N 2.96Å; F21-H23 PolarHBondContact O-ND1 3.26Å; H23-D28 WeakPolarHBondContact CA-OD2 3.47Å
24L89.5Confident87.9Confident42 Ų4259.9 Ų59.922%0.2232%0.315CS..  trans-98.7-17.8-178.4-61.7-178.4000112.4L22 D28 L121 E124 I125L22-L24 HydrophobicContact CD2-CD2 3.89Å; L22-L24 HydrophobicContact CG-CD2 3.98Å; L24-D28 PolarHBondContact N-OD2 2.85Å; L24-L121 HydrophobicContact CB-CD2 3.58Å; L24-E124 HydrophobicContact CD1-CB 3.64Å; L24-I125 HydrophobicContact CB-CD1 4.5Å; L24-I125 HydrophobicContact CB-CG1 4.14Å; L24-I125 HydrophobicContact CD1-CG1 4.05Å; L24-I125 HydrophobicContact CG-CG1 4.39Å
25S89.6Confident88.5Confident27 Ų2759.9 Ų59.919%0.18932%0.315CS..SBendtrans-148.8179.4177.687.20000112.7C27 D28 I31S25-C27 VanDerWaalsContact C-N 3.31Å; S25-C27 PolarHBondContact OG-N 3.45Å; S25-D28 VanDerWaalsContact CA-OD1 3.26Å; S25-D28 WeakPolarHBondContact CA-OD1 3.4Å; S25-D28 WeakPolarHBondContact CB-OD1 3.45Å; S25-D28 PolarHBondContact N-OD1 2.92Å; S25-D28 PolarHBondContact OG-OD1 3.41Å; S25-I31 VanDerWaalsContact OG-CD1 3.32Å; S25-I31 WeakPolarHBondContact OG-CD1 3.49Å
26C89.5Confident89.2Confident114 Ų11459.6 Ų59.677%0.7731%0.305SS*.THydrogen-bonded Turntrans-77.3-11.4176.960.30000114.3
27C92.3Very high89.9Confident21 Ų2162.1 Ų62.114%0.14231%0.308CS..THydrogen-bonded Turntrans-14042-174.365.20000112.8S25 E29 E30 I31S25-C27 VanDerWaalsContact C-N 3.31Å; S25-C27 PolarHBondContact OG-N 3.45Å; C27-E29 VanDerWaalsContact C-N 3.3Å; C27-E29 PolarHBondContact O-N 3.47Å; C27-E30 HydrophobicContact CB-CB 4.33Å; C27-E30 PolarHBondContact O-N 3.29Å; C27-E30 VanDerWaalsContact O-N 3.08Å; C27-I31 WeakPolarHBondContact O-CG1 3.26Å; C27-I31 PolarHBondContact O-N 3.2Å
28D94.3Very high90.7Very high6 Ų662.3 Ų62.33%0.03231%0.312CS..Hα-helixtrans-55.7-41.3-174.9-73.13.2000113.6H23 L24 S25 E30 I31 Y32 I125H23-D28 WeakPolarHBondContact CA-OD2 3.47Å; L24-D28 PolarHBondContact N-OD2 2.85Å; S25-D28 VanDerWaalsContact CA-OD1 3.26Å; S25-D28 WeakPolarHBondContact CA-OD1 3.4Å; S25-D28 WeakPolarHBondContact CB-OD1 3.45Å; S25-D28 PolarHBondContact N-OD1 2.92Å; S25-D28 PolarHBondContact OG-OD1 3.41Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 3.34Å; D28-I31 PolarHBondContact O-N 3.38Å; D28-Y32 WeakPolarHBondContact O-CB 3.44Å; D28-Y32 PolarHBondContact O-N 3.06Å; D28-I125 HydrophobicContact CB-CD1 3.96Å; D28-I125 HydrophobicContact CB-CG1 4.37Å; D28-I125 HydrophobicContact CB-CG2 4.1Å; D28-I125 VanDerWaalsContact OD1-CD1 3.24Å; D28-I125 WeakPolarHBondContact OD1-CD1 3.44Å
29E94.4Very high91.5Very high110 Ų11059.9 Ų59.951%0.51430%0.299SS..Hα-helixtrans-61.4-40.3178.1-62.6-49.7127.300112.4C27 S33 R129C27-E29 VanDerWaalsContact C-N 3.3Å; C27-E29 PolarHBondContact O-N 3.47Å; E29-S33 VanDerWaalsContact O-CB 3.24Å; E29-S33 WeakPolarHBondContact O-CB 3.47Å; E29-S33 PolarHBondContact O-N 2.87Å; E29-R129 IonicContact OE1-CZ 2.91Å; E29-R129 IonicContact OE1-NE 3.17Å; E29-R129 PolarHBondContact OE1-NE 2.87Å; E29-R129 VanDerWaalsContact OE1-NE 3.1Å; E29-R129 IonicContact OE1-NH2 3.04Å; E29-R129 PolarHBondContact OE1-NH2 2.99Å
30E96Very high92.1Very high73 Ų7363.3 Ų63.334%0.34132%0.321SS..Hα-helixtrans-70.4-41.7177.9-171.8-178.817700111.1C27 D28 K34 F68 K71C27-E30 HydrophobicContact CB-CB 4.33Å; C27-E30 PolarHBondContact O-N 3.29Å; C27-E30 VanDerWaalsContact O-N 3.08Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 3.34Å; E30-K34 WeakPolarHBondContact O-CB 3.47Å; E30-K34 WeakPolarHBondContact O-CG 3.48Å; E30-K34 PolarHBondContact O-N 3.15Å; E30-F68 HydrophobicContact CB-CE1 4.45Å; E30-F68 HydrophobicContact CG-CE1 4.03Å; E30-F68 HydrophobicContact CG-CZ 4.3Å; E30-K71 IonicContact OE1-NZ 3.82Å; E30-K71 PolarHBondContact OE1-NZ 3.3Å; E30-K71 IonicContact OE2-NZ 3.95Å; E30-K71 PolarHBondContact OE2-NZ 3.05Å
31I96.7Very high92.8Very high0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-59.6-49.9175.5-66.8173000109.8S25 C27 D28 K34 F35 F64 F68 I72 I118 L121 A122 I125S25-I31 VanDerWaalsContact OG-CD1 3.32Å; S25-I31 WeakPolarHBondContact OG-CD1 3.49Å; C27-I31 WeakPolarHBondContact O-CG1 3.26Å; C27-I31 PolarHBondContact O-N 3.2Å; D28-I31 PolarHBondContact O-N 3.38Å; I31-K34 PolarHBondContact O-N 3.11Å; I31-F35 WeakPolarHBondContact O-CB 3.41Å; I31-F35 PolarHBondContact O-N 3.45Å; I31-F64 HydrophobicContact CG2-CZ 4.22Å; I31-F68 HydrophobicContact CB-CE1 4.4Å; I31-F68 HydrophobicContact CB-CZ 4.33Å; I31-F68 HydrophobicContact CG1-CD1 3.88Å; I31-F68 HydrophobicContact CG1-CE1 3.53Å; I31-F68 HydrophobicContact CG1-CE2 4.5Å; I31-F68 HydrophobicContact CG1-CZ 3.89Å; I31-I72 HydrophobicContact CD1-CD1 4.17Å; I31-I72 HydrophobicContact CD1-CG1 4.44Å; I31-I118 HydrophobicContact CD1-CD1 4.21Å; I31-I118 HydrophobicContact CG1-CD1 4.42Å; I31-L121 HydrophobicContact CD1-CB 4.44Å; I31-L121 HydrophobicContact CD1-CD1 4.36Å; I31-A122 HydrophobicContact CG2-CB 3.97Å; I31-I125 HydrophobicContact CB-CD1 4.16Å; I31-I125 HydrophobicContact CD1-CD1 4.03Å; I31-I125 HydrophobicContact CG2-CD1 3.96Å
32Y96.4Very high93.5Very high58 Ų5858 Ų5823%0.22731%0.31CS..Hα-helixtrans-61.3-48.5-179.7179.4-113.8000111.9D28 K34 F35 R36 A126 R129 E130D28-Y32 WeakPolarHBondContact O-CB 3.44Å; D28-Y32 PolarHBondContact O-N 3.06Å; Y32-K34 PolarHBondContact O-N 3.03Å; Y32-F35 PolarHBondContact O-N 3.25Å; Y32-R36 HydrophobicContact CD2-CG 4.34Å; Y32-R36 HydrophobicContact CE2-CG 3.75Å; Y32-R36 PolarHBondContact O-N 2.9Å; Y32-A126 HydrophobicContact CD2-CB 3.82Å; Y32-A126 HydrophobicContact CE2-CB 3.78Å; Y32-R129 HydrophobicContact CD2-CB 4.36Å; Y32-R129 HydrophobicContact CD2-CG 4.36Å; Y32-R129 HydrophobicContact CE2-CB 4.12Å; Y32-R129 HydrophobicContact CG-CG 4.33Å; Y32-E130 WeakPolarHBondContact CE2-OE1 3.23Å; Y32-E130 PolarHBondContact OH-OE1 2.95Å
33S96.8Very high93.8Very high70 Ų7060.1 Ų60.149%0.4933%0.325SS..Hα-helixtrans-57.8-49.4178.8176.90000111.6E29 F35 R36 E37E29-S33 VanDerWaalsContact O-CB 3.24Å; E29-S33 WeakPolarHBondContact O-CB 3.47Å; E29-S33 PolarHBondContact O-N 2.87Å; S33-F35 VanDerWaalsContact C-N 3.33Å; S33-F35 PolarHBondContact O-N 2.76Å; S33-R36 PolarHBondContact O-N 3.35Å; S33-E37 WeakPolarHBondContact O-CB 3.5Å; S33-E37 PolarHBondContact O-N 3.13Å
34K97.4Very high94Very high74 Ų7454.2 Ų54.232%0.32230%0.297SS..Hα-helixtrans-69.6-31.4178.8-69.2-64.9173.2-165.50113.1E30 I31 Y32 E37 A38 F64 L67 F68E30-K34 WeakPolarHBondContact O-CB 3.47Å; E30-K34 WeakPolarHBondContact O-CG 3.48Å; E30-K34 PolarHBondContact O-N 3.15Å; I31-K34 PolarHBondContact O-N 3.11Å; Y32-K34 PolarHBondContact O-N 3.03Å; K34-E37 WeakPolarHBondContact CD-OE2 3.48Å; K34-E37 IonicContact NZ-OE1 2.72Å; K34-E37 IonicContact NZ-OE2 2.63Å; K34-E37 PolarHBondContact NZ-OE2 3.45Å; K34-E37 PolarHBondContact O-N 3.09Å; K34-A38 WeakPolarHBondContact O-CB 3.44Å; K34-A38 PolarHBondContact O-N 2.81Å; K34-F64 HydrophobicContact CB-CD2 4.47Å; K34-F64 HydrophobicContact CB-CE2 3.82Å; K34-L67 HydrophobicContact CB-CD1 4.47Å; K34-L67 HydrophobicContact CD-CD1 4.37Å; K34-L67 HydrophobicContact CG-CD1 4.47Å; K34-F68 HydrophobicContact CB-CE2 4.17Å; K34-F68 HydrophobicContact CB-CZ 4.01Å; K34-F68 HydrophobicContact CG-CZ 4.16Å
35F97.2Very high93.9Very high0 Ų055.8 Ų55.80%031%0.306CS..Hα-helixtrans-64.3-50.3176.2168.1-107.7000110I31 Y32 S33 E37 A38 F39 M42 L44 W61 F64 A122 I123 A126I31-F35 WeakPolarHBondContact O-CB 3.41Å; I31-F35 PolarHBondContact O-N 3.45Å; Y32-F35 PolarHBondContact O-N 3.25Å; S33-F35 VanDerWaalsContact C-N 3.33Å; S33-F35 PolarHBondContact O-N 2.76Å; F35-E37 VanDerWaalsContact C-N 3.32Å; F35-E37 PolarHBondContact O-N 2.68Å; F35-A38 PolarHBondContact O-N 2.75Å; F35-F39 HydrophobicContact CD2-CB 4.28Å; F35-F39 AromaticContact CD2-CD2 3.61Å; F35-F39 HydrophobicContact CD2-CD2 3.61Å; F35-F39 HydrophobicContact CD2-CE2 4.38Å; F35-F39 HydrophobicContact CD2-CG 4.33Å; F35-F39 HydrophobicContact CE2-CB 3.88Å; F35-F39 AromaticContact CE2-CD2 3.76Å; F35-F39 HydrophobicContact CE2-CD2 3.76Å; F35-F39 HydrophobicContact CE2-CG 4.08Å; F35-F39 HydrophobicContact CZ-CB 4.29Å; F35-F39 WeakPolarHBondContact O-CA 3.37Å; F35-F39 WeakPolarHBondContact O-CB 3.42Å; F35-F39 PolarHBondContact O-N 3.27Å; F35-M42 HydrophobicContact CE2-SD 3.74Å; F35-M42 HydrophobicContact CZ-CB 4.35Å; F35-M42 HydrophobicContact CZ-CG 4.35Å; F35-M42 HydrophobicContact CZ-SD 3.79Å; F35-L44 HydrophobicContact CE1-CD2 4.09Å; F35-L44 HydrophobicContact CZ-CD2 3.98Å; F35-W61 AromaticContact CD2-CH2 3.77Å; F35-W61 HydrophobicContact CD2-CH2 3.77Å; F35-W61 HydrophobicContact CD2-CZ3 4.22Å; F35-W61 AromaticContact CE2-CH2 3.56Å; F35-W61 HydrophobicContact CE2-CH2 3.56Å; F35-W61 HydrophobicContact CE2-CZ2 4.13Å; F35-W61 HydrophobicContact CE2-CZ3 4.43Å; F35-F64 HydrophobicContact CB-CE2 4.05Å; F35-F64 HydrophobicContact CB-CZ 4Å; F35-A122 HydrophobicContact CB-CB 4.11Å; F35-A122 HydrophobicContact CD2-CB 3.77Å; F35-A122 HydrophobicContact CE2-CB 4.48Å; F35-A122 HydrophobicContact CG-CB 4Å; F35-I123 HydrophobicContact CE2-CG1 4.47Å; F35-A126 HydrophobicContact CD1-CB 3.75Å; F35-A126 HydrophobicContact CE1-CB 3.55Å
36R96.3Very high93.8Very high51 Ų5160.5 Ų60.519%0.19233%0.326CS..Hα-helixtrans-70.2-25.7178.2-74.2-58.7-169.7-169.31.9113.7Y32 S33 F39 P40 M42 E130Y32-R36 HydrophobicContact CD2-CG 4.34Å; Y32-R36 HydrophobicContact CE2-CG 3.75Å; Y32-R36 PolarHBondContact O-N 2.9Å; S33-R36 PolarHBondContact O-N 3.35Å; R36-F39 PolarHBondContact NH1-O 3.39Å; R36-P40 PolarHBondContact NH1-O 2.92Å; R36-P40 VanDerWaalsContact NH1-O 3.08Å; R36-P40 VanDerWaalsContact O-CA 3.26Å; R36-P40 WeakPolarHBondContact O-CA 3.34Å; R36-M42 PolarHBondContact NH1-O 3.15Å; R36-M42 VanDerWaalsContact NH1-O 3.08Å; R36-E130 IonicContact CZ-OE1 2.81Å; R36-E130 IonicContact CZ-OE2 2.68Å; R36-E130 IonicContact NE-OE1 3.78Å; R36-E130 PolarHBondContact NE-OE1 3.49Å; R36-E130 IonicContact NH2-OE1 2.75Å; R36-E130 PolarHBondContact NH2-OE1 2.93Å; R36-E130 IonicContact NH2-OE2 3.17Å; R36-E130 PolarHBondContact NH2-OE2 3.43Å
37E96.2Very high93.6Very high132 Ų13255.5 Ų55.562%0.61729%0.292SS*.Hα-helixtrans-65.6-42.9168.5-171-175.6158.700111.8S33 K34 F35S33-E37 WeakPolarHBondContact O-CB 3.5Å; S33-E37 PolarHBondContact O-N 3.13Å; K34-E37 WeakPolarHBondContact CD-OE2 3.48Å; K34-E37 IonicContact NZ-OE1 2.72Å; K34-E37 IonicContact NZ-OE2 2.63Å; K34-E37 PolarHBondContact NZ-OE2 3.45Å; K34-E37 PolarHBondContact O-N 3.09Å; F35-E37 VanDerWaalsContact C-N 3.32Å; F35-E37 PolarHBondContact O-N 2.68Å
38A95Very high93.3Very high38 Ų3858.5 Ų58.531%0.31431%0.306SS..Hα-helixtrans-82.1-29.5-178.100000113.8K34 F35 F64K34-A38 WeakPolarHBondContact O-CB 3.44Å; K34-A38 PolarHBondContact O-N 2.81Å; F35-A38 PolarHBondContact O-N 2.75Å; A38-F64 HydrophobicContact CB-CD2 4.41Å
39F95.7Very high92.6Very high6 Ų660.3 Ų60.33%0.02632%0.315CS..  trans-136.863.6-172.9-53.4-78.8000111F35 R36 D41 M42 M57 R60 W61 F64F35-F39 HydrophobicContact CD2-CB 4.28Å; F35-F39 AromaticContact CD2-CD2 3.61Å; F35-F39 HydrophobicContact CD2-CD2 3.61Å; F35-F39 HydrophobicContact CD2-CE2 4.38Å; F35-F39 HydrophobicContact CD2-CG 4.33Å; F35-F39 HydrophobicContact CE2-CB 3.88Å; F35-F39 AromaticContact CE2-CD2 3.76Å; F35-F39 HydrophobicContact CE2-CD2 3.76Å; F35-F39 HydrophobicContact CE2-CG 4.08Å; F35-F39 HydrophobicContact CZ-CB 4.29Å; F35-F39 WeakPolarHBondContact O-CA 3.37Å; F35-F39 WeakPolarHBondContact O-CB 3.42Å; F35-F39 PolarHBondContact O-N 3.27Å; R36-F39 PolarHBondContact NH1-O 3.39Å; F39-D41 PolarHBondContact O-N 2.85Å; F39-M42 HydrophobicContact CB-CB 3.87Å; F39-M42 HydrophobicContact CB-CE 4.32Å; F39-M42 HydrophobicContact CB-SD 4.37Å; F39-M42 HydrophobicContact CD1-CE 3.63Å; F39-M42 HydrophobicContact CE1-CE 4.14Å; F39-M42 HydrophobicContact CG-CE 4.05Å; F39-M42 HydrophobicContact CG-SD 4.5Å; F39-M42 PolarHBondContact O-N 3.33Å; F39-M57 HydrophobicContact CD1-SD 4.03Å; F39-M57 HydrophobicContact CE1-SD 3.54Å; F39-M57 VanDerWaalsContact CE1-SD 3.54Å; F39-R60 HydrophobicContact CE1-CB 3.67Å; F39-R60 HydrophobicContact CZ-CB 3.75Å; F39-W61 HydrophobicContact CD2-CH2 4.27Å; F39-W61 HydrophobicContact CD2-CZ2 4.48Å; F39-W61 HydrophobicContact CD2-CZ3 4.34Å; F39-W61 HydrophobicContact CE1-CD2 4.36Å; F39-W61 AromaticContact CE2-CD2 3.88Å; F39-W61 HydrophobicContact CE2-CD2 3.88Å; F39-W61 AromaticContact CE2-CE3 3.64Å; F39-W61 HydrophobicContact CE2-CE3 3.64Å; F39-W61 AromaticContact CE2-CH2 3.98Å; F39-W61 HydrophobicContact CE2-CH2 3.98Å; F39-W61 HydrophobicContact CE2-CZ2 4.17Å; F39-W61 AromaticContact CE2-CZ3 3.7Å; F39-W61 HydrophobicContact CE2-CZ3 3.7Å; F39-W61 AromaticContact CZ-CD2 3.54Å; F39-W61 HydrophobicContact CZ-CD2 3.54Å; F39-W61 AromaticContact CZ-CE2 3.77Å; F39-W61 AromaticContact CZ-CE3 3.78Å; F39-W61 HydrophobicContact CZ-CE3 3.78Å; F39-W61 AromaticContact CZ-CG 3.94Å; F39-W61 HydrophobicContact CZ-CG 3.94Å; F39-W61 HydrophobicContact CZ-CH2 4.47Å; F39-W61 HydrophobicContact CZ-CZ2 4.24Å; F39-W61 HydrophobicContact CZ-CZ3 4.25Å; F39-F64 HydrophobicContact CE2-CB 4.23Å; F39-F64 HydrophobicContact CE2-CG 4.29Å
40P94.4Very high92Very high74 Ų7462.5 Ų62.548%0.48133%0.325SS..THydrogen-bonded Turntrans-60.2-44.5-175.722.5-33000112.2R36R36-P40 PolarHBondContact NH1-O 2.92Å; R36-P40 VanDerWaalsContact NH1-O 3.08Å; R36-P40 VanDerWaalsContact O-CA 3.26Å; R36-P40 WeakPolarHBondContact O-CA 3.34Å
41D91.4Very high91.5Very high152 Ų15260.5 Ų60.581%0.81332%0.321SS*.THydrogen-bonded Turntrans-100.416.3-173.2-50.1-57.6000113.6F39 P43F39-D41 PolarHBondContact O-N 2.85Å; D41-P43 WeakPolarHBondContact O-CD 3.45Å
42M92Very high90.9Very high22 Ų2261.4 Ų61.411%0.10833%0.325CS..  trans-70.4124.9179.4178.3171.4-78.300110.3F35 R36 F39 M52 M57 W61F35-M42 HydrophobicContact CE2-SD 3.74Å; F35-M42 HydrophobicContact CZ-CB 4.35Å; F35-M42 HydrophobicContact CZ-CG 4.35Å; F35-M42 HydrophobicContact CZ-SD 3.79Å; R36-M42 PolarHBondContact NH1-O 3.15Å; R36-M42 VanDerWaalsContact NH1-O 3.08Å; F39-M42 HydrophobicContact CB-CB 3.87Å; F39-M42 HydrophobicContact CB-CE 4.32Å; F39-M42 HydrophobicContact CB-SD 4.37Å; F39-M42 HydrophobicContact CD1-CE 3.63Å; F39-M42 HydrophobicContact CE1-CE 4.14Å; F39-M42 HydrophobicContact CG-CE 4.05Å; F39-M42 HydrophobicContact CG-SD 4.5Å; F39-M42 PolarHBondContact O-N 3.33Å; M42-M52 HydrophobicContact CE-SD 4.33Å; M42-M57 HydrophobicContact CE-CE 3.8Å; M42-M57 HydrophobicContact CE-SD 3.71Å; M42-W61 HydrophobicContact CE-CZ2 3.86Å; M42-W61 HydrophobicContact SD-CZ2 3.85Å
43P91.3Very high90.2Very high68 Ų6863.2 Ų63.244%0.44233%0.332SS..  trans-67.3142.6173.628.6-33.8000110D41 I47D41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-I47 WeakPolarHBondContact O-CD1 3.49Å
44L91.6Very high89.7Confident1 Ų161.8 Ų61.81%0.00532%0.322CS..SBendtrans-115.1-17.5-178.4-66.8-178.4000113.1F35 V85 I123 A126 R127 E130 F132F35-L44 HydrophobicContact CE1-CD2 4.09Å; F35-L44 HydrophobicContact CZ-CD2 3.98Å; L44-V85 WeakPolarHBondContact O-CG1 3.33Å; L44-I123 HydrophobicContact CD2-CG2 4.23Å; L44-A126 HydrophobicContact CD1-CB 3.54Å; L44-A126 HydrophobicContact CD2-CB 4.16Å; L44-R127 HydrophobicContact CB-CG 4.04Å; L44-R127 VanDerWaalsContact O-CZ 3.31Å; L44-R127 PolarHBondContact O-NE 2.85Å; L44-R127 PolarHBondContact O-NH2 3.11Å; L44-E130 WeakPolarHBondContact CD1-OE2 3.38Å; L44-F132 HydrophobicContact CB-CD2 3.87Å; L44-F132 HydrophobicContact CB-CE2 3.79Å; L44-F132 HydrophobicContact CB-CG 4.34Å; L44-F132 HydrophobicContact CB-CZ 4.19Å; L44-F132 HydrophobicContact CD1-CD2 4.14Å; L44-F132 HydrophobicContact CD1-CE2 4.05Å; L44-F132 HydrophobicContact CG-CE2 4.46Å
45D87.9Confident89.3Confident75 Ų7561.9 Ų61.940%0.40134%0.337SS..SBendtrans-68.4-53173.951.3-16.3000111.5N84 V85 F132D45-N84 WeakPolarHBondContact O-CA 3.44Å; D45-V85 HydrophobicContact CB-CG2 4.26Å; D45-V85 PolarHBondContact O-N 3.3Å; D45-F132 HydrophobicContact CB-CD1 4.03Å; D45-F132 HydrophobicContact CB-CE1 3.77Å
46M86.4Confident89Confident125 Ų12566.1 Ų66.162%0.61636%0.364SS*.BIsolated β-bridgetrans-128.2111.8178.6-165.6175.577.900110D48 C83M46-D48 PolarHBondContact O-N 3.39Å; M46-C83 CarbonylContact C-O 3.59Å; M46-C83 WeakPolarHBondContact CA-O 3.26Å
47I86.9Confident88.6Confident10 Ų1065.2 Ų65.25%0.05136%0.362CS..  trans-76.8120.1176.3-54.6-56.6000108.8P43 E49 M52 L81 C83 L113 I123P43-I47 WeakPolarHBondContact O-CD1 3.49Å; I47-E49 PolarHBondContact O-N 3.27Å; I47-M52 HydrophobicContact CG2-CG 3.62Å; I47-M52 HydrophobicContact CG2-SD 4.32Å; I47-L81 HydrophobicContact CG1-CD2 4.47Å; I47-C83 PolarHBondContact N-O 2.78Å; I47-L113 HydrophobicContact CG2-CD1 4.08Å; I47-I123 HydrophobicContact CD1-CD1 4.41Å; I47-I123 HydrophobicContact CD1-CG2 4.03Å
48D84.3Confident88.3Confident83 Ų8362.5 Ų62.544%0.44435%0.349SS..  trans-73.4105.7173.2-179.9-9.9000110.3M46 E50 A51 M52M46-D48 PolarHBondContact O-N 3.39Å; D48-E50 VanDerWaalsContact C-N 3.3Å; D48-E50 PolarHBondContact O-N 2.9Å; D48-E50 WeakPolarHBondContact OD1-CA 3.47Å; D48-E50 WeakPolarHBondContact OD1-CB 3.34Å; D48-E50 PolarHBondContact OD1-N 3.49Å; D48-A51 HydrophobicContact CB-CB 3.8Å; D48-A51 PolarHBondContact O-N 3.08Å; D48-A51 PolarHBondContact OD1-N 3.08Å; D48-A51 WeakPolarHBondContact OD2-CB 3.04Å; D48-M52 VanDerWaalsContact O-CG 3.27Å; D48-M52 WeakPolarHBondContact O-CG 3.46Å; D48-M52 PolarHBondContact O-N 3.32Å
49E80.5Confident88.2Confident45 Ų4564.2 Ų64.221%0.2135%0.35CS..Hα-helixtrans-60.4-37.1177.9173.6165.8-148.500112.8I47 M52 R53 A108 L113I47-E49 PolarHBondContact O-N 3.27Å; E49-M52 PolarHBondContact O-N 3.02Å; E49-R53 HydrophobicContact CG-CG 4.45Å; E49-R53 WeakPolarHBondContact O-CB 3.14Å; E49-R53 VanDerWaalsContact O-CG 3.24Å; E49-R53 WeakPolarHBondContact O-CG 3.45Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 IonicContact OE1-CZ 3.02Å; E49-R53 IonicContact OE1-NE 3.03Å; E49-R53 PolarHBondContact OE1-NE 3.49Å; E49-R53 IonicContact OE1-NH2 2.59Å; E49-R53 PolarHBondContact OE1-NH2 3.27Å; E49-A108 WeakPolarHBondContact OE1-CB 3.3Å; E49-L113 HydrophobicContact CB-CD1 4.43Å; E49-L113 HydrophobicContact CB-CD2 4.14Å; E49-L113 VanDerWaalsContact CD-CD2 3.44Å; E49-L113 HydrophobicContact CG-CD2 3.66Å; E49-L113 WeakPolarHBondContact OE1-CD2 3.44Å
50E82.4Confident88.1Confident156 Ų15671 Ų7173%0.72938%0.375SS*.Hα-helixtrans-68-44.8179.6-170.8176.2174.200110.2D48 M52 R53 S54D48-E50 VanDerWaalsContact C-N 3.3Å; D48-E50 PolarHBondContact O-N 2.9Å; D48-E50 WeakPolarHBondContact OD1-CA 3.47Å; D48-E50 WeakPolarHBondContact OD1-CB 3.34Å; D48-E50 PolarHBondContact OD1-N 3.49Å; E50-M52 VanDerWaalsContact C-N 3.32Å; E50-M52 PolarHBondContact O-N 3.44Å; E50-R53 PolarHBondContact O-N 3.4Å; E50-R53 VanDerWaalsContact O-N 3.11Å; E50-S54 PolarHBondContact O-N 3.01Å
51A84.5Confident88.1Confident30 Ų3067.6 Ų67.625%0.24835%0.353CS..Hα-helixtrans-58.2-44.5173.400000111.4D48 R53 S54 M57D48-A51 HydrophobicContact CB-CB 3.8Å; D48-A51 PolarHBondContact O-N 3.08Å; D48-A51 PolarHBondContact OD1-N 3.08Å; D48-A51 WeakPolarHBondContact OD2-CB 3.04Å; A51-R53 VanDerWaalsContact C-N 3.26Å; A51-R53 PolarHBondContact O-N 3.34Å; A51-S54 WeakPolarHBondContact O-CB 3.39Å; A51-S54 PolarHBondContact O-N 2.86Å; A51-S54 VanDerWaalsContact O-N 3.16Å; A51-S54 PolarHBondContact O-OG 3.35Å; A51-M57 HydrophobicContact CB-CE 4.46Å; A51-M57 WeakPolarHBondContact O-CB 3.45Å; A51-M57 VanDerWaalsContact O-CG 3.27Å; A51-M57 WeakPolarHBondContact O-CG 3.21Å
52M83.9Confident88.1Confident20 Ų2067.8 Ų67.810%0.09934%0.342CS..Hα-helixtrans-62.4-30.8177-71-64.1-7600113.1M42 I47 D48 E49 E50 M57 W61 V115 I123M42-M52 HydrophobicContact CE-SD 4.33Å; I47-M52 HydrophobicContact CG2-CG 3.62Å; I47-M52 HydrophobicContact CG2-SD 4.32Å; D48-M52 VanDerWaalsContact O-CG 3.27Å; D48-M52 WeakPolarHBondContact O-CG 3.46Å; D48-M52 PolarHBondContact O-N 3.32Å; E49-M52 PolarHBondContact O-N 3.02Å; E50-M52 VanDerWaalsContact C-N 3.32Å; E50-M52 PolarHBondContact O-N 3.44Å; M52-M57 HydrophobicContact SD-CG 4.3Å; M52-W61 HydrophobicContact CE-CZ2 4.23Å; M52-W61 HydrophobicContact SD-CZ2 4.39Å; M52-W61 PolarHBondContact SD-NE1 2.92Å; M52-V115 HydrophobicContact CE-CG1 4.33Å; M52-I123 HydrophobicContact CE-CD1 4.43Å
53R81.8Confident88.2Confident95 Ų9573.2 Ų73.236%0.35837%0.365SS..Hα-helixtrans-83-16.6178-71.8170.7177.2-149.6-2.5113.3E49 E50 A51 K58E49-R53 HydrophobicContact CG-CG 4.45Å; E49-R53 WeakPolarHBondContact O-CB 3.14Å; E49-R53 VanDerWaalsContact O-CG 3.24Å; E49-R53 WeakPolarHBondContact O-CG 3.45Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 IonicContact OE1-CZ 3.02Å; E49-R53 IonicContact OE1-NE 3.03Å; E49-R53 PolarHBondContact OE1-NE 3.49Å; E49-R53 IonicContact OE1-NH2 2.59Å; E49-R53 PolarHBondContact OE1-NH2 3.27Å; E50-R53 PolarHBondContact O-N 3.4Å; E50-R53 VanDerWaalsContact O-N 3.11Å; A51-R53 VanDerWaalsContact C-N 3.26Å; A51-R53 PolarHBondContact O-N 3.34Å; R53-K58 WeakPolarHBondContact O-CD 3.31Å; R53-K58 WeakPolarHBondContact O-CE 3.41Å; R53-K58 PolarHBondContact O-NZ 3.32Å
54S87Confident88.4Confident40 Ų4070.2 Ų70.228%0.2835%0.345SS..SBendtrans-61.7143.9-179.178.30000112.5E50 A51 M57 K58E50-S54 PolarHBondContact O-N 3.01Å; A51-S54 WeakPolarHBondContact O-CB 3.39Å; A51-S54 PolarHBondContact O-N 2.86Å; A51-S54 VanDerWaalsContact O-N 3.16Å; A51-S54 PolarHBondContact O-OG 3.35Å; S54-M57 PolarHBondContact O-N 3.49Å; S54-M57 WeakPolarHBondContact OG-CB 3.47Å; S54-M57 PolarHBondContact OG-N 2.86Å; S54-K58 WeakPolarHBondContact O-CB 3.46Å; S54-K58 WeakPolarHBondContact O-CG 3.35Å; S54-K58 PolarHBondContact O-N 2.84Å
55A88.7Confident88.5Confident77 Ų7770.3 Ų70.364%0.63635%0.347SS*.Hα-helixtrans-55.4-47.2177.200000114.2M57 K58 E59A55-M57 VanDerWaalsContact C-N 3.35Å; A55-M57 PolarHBondContact O-N 3.1Å; A55-K58 PolarHBondContact O-N 3.48Å; A55-E59 PolarHBondContact O-N 2.9Å; A55-E59 VanDerWaalsContact O-N 3.08Å
56P90.9Very high88.8Confident88 Ų8871.6 Ų71.657%0.57135%0.35SS*.Hα-helixtrans-64.6-37.617924.2-34.3000112.7E59 R60P56-E59 PolarHBondContact O-N 3.48Å; P56-R60 WeakPolarHBondContact O-CG 3.44Å; P56-R60 PolarHBondContact O-N 2.98Å
57M89.1Confident89.2Confident32 Ų3270.4 Ų70.416%0.15835%0.346CS..Hα-helixtrans-67.4-45.4178-172.361.480.800111.5F39 M42 A51 M52 S54 A55 E59 R60 W61F39-M57 HydrophobicContact CD1-SD 4.03Å; F39-M57 HydrophobicContact CE1-SD 3.54Å; F39-M57 VanDerWaalsContact CE1-SD 3.54Å; M42-M57 HydrophobicContact CE-CE 3.8Å; M42-M57 HydrophobicContact CE-SD 3.71Å; A51-M57 HydrophobicContact CB-CE 4.46Å; A51-M57 WeakPolarHBondContact O-CB 3.45Å; A51-M57 VanDerWaalsContact O-CG 3.27Å; A51-M57 WeakPolarHBondContact O-CG 3.21Å; M52-M57 HydrophobicContact SD-CG 4.3Å; S54-M57 PolarHBondContact O-N 3.49Å; S54-M57 WeakPolarHBondContact OG-CB 3.47Å; S54-M57 PolarHBondContact OG-N 2.86Å; A55-M57 VanDerWaalsContact C-N 3.35Å; A55-M57 PolarHBondContact O-N 3.1Å; M57-E59 PolarHBondContact O-N 3.32Å; M57-R60 PolarHBondContact O-N 3.29Å; M57-W61 PolarHBondContact O-N 2.92Å
58K88.8Confident89.5Confident76 Ų7669.9 Ų69.933%0.3334%0.344SS..Hα-helixtrans-55.2-41.9174.1-78.1172171.9159.20111.8R53 S54 A55 W61 R62R53-K58 WeakPolarHBondContact O-CD 3.31Å; R53-K58 WeakPolarHBondContact O-CE 3.41Å; R53-K58 PolarHBondContact O-NZ 3.32Å; S54-K58 WeakPolarHBondContact O-CB 3.46Å; S54-K58 WeakPolarHBondContact O-CG 3.35Å; S54-K58 PolarHBondContact O-N 2.84Å; A55-K58 PolarHBondContact O-N 3.48Å; K58-W61 PolarHBondContact O-N 3.28Å; K58-R62 VanDerWaalsContact O-CG 3.31Å; K58-R62 WeakPolarHBondContact O-CG 3.32Å; K58-R62 PolarHBondContact O-N 3.19Å
59E92.1Very high89.9Confident74 Ų7470.7 Ų70.735%0.34634%0.343SS..Hα-helixtrans-67.1-43.3178.5-176.355.2-154.700112.6A55 P56 M57 W61 R62 K63A55-E59 PolarHBondContact O-N 2.9Å; A55-E59 VanDerWaalsContact O-N 3.08Å; P56-E59 PolarHBondContact O-N 3.48Å; M57-E59 PolarHBondContact O-N 3.32Å; E59-W61 VanDerWaalsContact C-N 3.31Å; E59-W61 PolarHBondContact O-N 2.79Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 IonicContact OE2-CZ 3.13Å; E59-R62 IonicContact OE2-NH1 3.71Å; E59-R62 PolarHBondContact OE2-NH1 3.06Å; E59-K63 WeakPolarHBondContact O-CG 3.27Å; E59-K63 PolarHBondContact O-N 3.06Å; E59-K63 VanDerWaalsContact OE1-CE 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.25Å
60R93.8Very high90.4Very high147 Ų14780.4 Ų80.456%0.55538%0.378SS*.Hα-helixtrans-58.7-44.4173.6-71.7-178.1-178.7-170.91.5111.5F39 P56 M57 R62 K63 F64F39-R60 HydrophobicContact CE1-CB 3.67Å; F39-R60 HydrophobicContact CZ-CB 3.75Å; P56-R60 WeakPolarHBondContact O-CG 3.44Å; P56-R60 PolarHBondContact O-N 2.98Å; M57-R60 PolarHBondContact O-N 3.29Å; R60-R62 PolarHBondContact O-N 3.42Å; R60-K63 PolarHBondContact O-N 3.42Å; R60-F64 WeakPolarHBondContact O-CB 3.45Å; R60-F64 PolarHBondContact O-N 3.29Å
61W94.3Very high90.9Very high4 Ų477.5 Ų77.52%0.01536%0.363CS..Hα-helixtrans-65.6-35.1177.5-82.8124.9000114F35 F39 M42 M52 M57 K58 E59 F64 G65 Q119 A122 I123F35-W61 AromaticContact CD2-CH2 3.77Å; F35-W61 HydrophobicContact CD2-CH2 3.77Å; F35-W61 HydrophobicContact CD2-CZ3 4.22Å; F35-W61 AromaticContact CE2-CH2 3.56Å; F35-W61 HydrophobicContact CE2-CH2 3.56Å; F35-W61 HydrophobicContact CE2-CZ2 4.13Å; F35-W61 HydrophobicContact CE2-CZ3 4.43Å; F39-W61 HydrophobicContact CD2-CH2 4.27Å; F39-W61 HydrophobicContact CD2-CZ2 4.48Å; F39-W61 HydrophobicContact CD2-CZ3 4.34Å; F39-W61 HydrophobicContact CE1-CD2 4.36Å; F39-W61 AromaticContact CE2-CD2 3.88Å; F39-W61 HydrophobicContact CE2-CD2 3.88Å; F39-W61 AromaticContact CE2-CE3 3.64Å; F39-W61 HydrophobicContact CE2-CE3 3.64Å; F39-W61 AromaticContact CE2-CH2 3.98Å; F39-W61 HydrophobicContact CE2-CH2 3.98Å; F39-W61 HydrophobicContact CE2-CZ2 4.17Å; F39-W61 AromaticContact CE2-CZ3 3.7Å; F39-W61 HydrophobicContact CE2-CZ3 3.7Å; F39-W61 AromaticContact CZ-CD2 3.54Å; F39-W61 HydrophobicContact CZ-CD2 3.54Å; F39-W61 AromaticContact CZ-CE2 3.77Å; F39-W61 AromaticContact CZ-CE3 3.78Å; F39-W61 HydrophobicContact CZ-CE3 3.78Å; F39-W61 AromaticContact CZ-CG 3.94Å; F39-W61 HydrophobicContact CZ-CG 3.94Å; F39-W61 HydrophobicContact CZ-CH2 4.47Å; F39-W61 HydrophobicContact CZ-CZ2 4.24Å; F39-W61 HydrophobicContact CZ-CZ3 4.25Å; M42-W61 HydrophobicContact CE-CZ2 3.86Å; M42-W61 HydrophobicContact SD-CZ2 3.85Å; M52-W61 HydrophobicContact CE-CZ2 4.23Å; M52-W61 HydrophobicContact SD-CZ2 4.39Å; M52-W61 PolarHBondContact SD-NE1 2.92Å; M57-W61 PolarHBondContact O-N 2.92Å; K58-W61 PolarHBondContact O-N 3.28Å; E59-W61 VanDerWaalsContact C-N 3.31Å; E59-W61 PolarHBondContact O-N 2.79Å; W61-F64 HydrophobicContact CE3-CB 4.26Å; W61-F64 AromaticContact CE3-CD1 3.71Å; W61-F64 HydrophobicContact CE3-CD1 3.71Å; W61-F64 HydrophobicContact CE3-CE1 4.42Å; W61-F64 HydrophobicContact CE3-CG 4.21Å; W61-F64 AromaticContact CZ3-CD1 3.62Å; W61-F64 HydrophobicContact CZ3-CD1 3.62Å; W61-F64 AromaticContact CZ3-CE1 3.88Å; W61-F64 HydrophobicContact CZ3-CE1 3.88Å; W61-F64 HydrophobicContact CZ3-CG 4.28Å; W61-F64 PolarHBondContact O-N 3.45Å; W61-G65 PolarHBondContact O-N 3.01Å; W61-Q119 VanDerWaalsContact CB-NE2 3.26Å; W61-Q119 HydrophobicContact CD2-CG 3.82Å; W61-Q119 HydrophobicContact CE3-CB 4.36Å; W61-Q119 HydrophobicContact CE3-CG 3.62Å; W61-Q119 HydrophobicContact CG-CG 4.27Å; W61-Q119 HydrophobicContact CH2-CB 4.41Å; W61-Q119 HydrophobicContact CH2-CG 4.49Å; W61-Q119 HydrophobicContact CZ3-CB 4.23Å; W61-Q119 HydrophobicContact CZ3-CG 3.98Å; W61-A122 HydrophobicContact CH2-CB 4.18Å; W61-A122 HydrophobicContact CZ3-CB 4.1Å; W61-I123 HydrophobicContact CH2-CD1 4.3Å; W61-I123 HydrophobicContact CH2-CG1 4.17Å; W61-I123 HydrophobicContact CZ2-CD1 4.11Å; W61-I123 HydrophobicContact CZ2-CG1 4.38Å
62R92.5Very high91.2Very high155 Ų15576.4 Ų76.459%0.58535%0.353SS*.Hα-helixtrans-62.4-47.9172.5-73.6173.8-160.1153.9-3.5111K58 E59 R60 F64 G65 E66K58-R62 VanDerWaalsContact O-CG 3.31Å; K58-R62 WeakPolarHBondContact O-CG 3.32Å; K58-R62 PolarHBondContact O-N 3.19Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 IonicContact OE2-CZ 3.13Å; E59-R62 IonicContact OE2-NH1 3.71Å; E59-R62 PolarHBondContact OE2-NH1 3.06Å; R60-R62 PolarHBondContact O-N 3.42Å; R62-F64 VanDerWaalsContact C-N 3.29Å; R62-F64 PolarHBondContact O-N 3.38Å; R62-G65 PolarHBondContact O-N 3.33Å; R62-E66 PolarHBondContact O-N 3.38Å
63K94.4Very high91.5Very high137 Ų13779.8 Ų79.860%0.59638%0.376SS*.Hα-helixtrans-58.6-43.5177.1-70.1178.5-179-179.10111.4E59 R60E59-K63 WeakPolarHBondContact O-CG 3.27Å; E59-K63 PolarHBondContact O-N 3.06Å; E59-K63 VanDerWaalsContact OE1-CE 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.25Å; R60-K63 PolarHBondContact O-N 3.42Å
64F95.4Very high91.8Very high4 Ų480.4 Ų80.42%0.01839%0.387CS..Hα-helixtrans-61.6-47.8174.7-179.9-99.6000112.1I31 K34 F35 A38 F39 R60 W61 R62 E66 L67 F68 I118 A122I31-F64 HydrophobicContact CG2-CZ 4.22Å; K34-F64 HydrophobicContact CB-CD2 4.47Å; K34-F64 HydrophobicContact CB-CE2 3.82Å; F35-F64 HydrophobicContact CB-CE2 4.05Å; F35-F64 HydrophobicContact CB-CZ 4Å; A38-F64 HydrophobicContact CB-CD2 4.41Å; F39-F64 HydrophobicContact CE2-CB 4.23Å; F39-F64 HydrophobicContact CE2-CG 4.29Å; R60-F64 WeakPolarHBondContact O-CB 3.45Å; R60-F64 PolarHBondContact O-N 3.29Å; W61-F64 HydrophobicContact CE3-CB 4.26Å; W61-F64 AromaticContact CE3-CD1 3.71Å; W61-F64 HydrophobicContact CE3-CD1 3.71Å; W61-F64 HydrophobicContact CE3-CE1 4.42Å; W61-F64 HydrophobicContact CE3-CG 4.21Å; W61-F64 AromaticContact CZ3-CD1 3.62Å; W61-F64 HydrophobicContact CZ3-CD1 3.62Å; W61-F64 AromaticContact CZ3-CE1 3.88Å; W61-F64 HydrophobicContact CZ3-CE1 3.88Å; W61-F64 HydrophobicContact CZ3-CG 4.28Å; W61-F64 PolarHBondContact O-N 3.45Å; R62-F64 VanDerWaalsContact C-N 3.29Å; R62-F64 PolarHBondContact O-N 3.38Å; F64-E66 VanDerWaalsContact C-N 3.32Å; F64-E66 PolarHBondContact O-N 3.08Å; F64-L67 HydrophobicContact CD2-CD1 4.48Å; F64-L67 VanDerWaalsContact O-CB 3.31Å; F64-L67 WeakPolarHBondContact O-CB 3.48Å; F64-L67 PolarHBondContact O-N 2.97Å; F64-L67 VanDerWaalsContact O-N 3.15Å; F64-F68 HydrophobicContact CD2-CE2 4.28Å; F64-F68 HydrophobicContact CE1-CD2 4.27Å; F64-F68 HydrophobicContact CE1-CE2 4.2Å; F64-F68 HydrophobicContact CE2-CD2 4.42Å; F64-F68 AromaticContact CE2-CE2 3.65Å; F64-F68 HydrophobicContact CE2-CE2 3.65Å; F64-F68 HydrophobicContact CZ-CD2 4.14Å; F64-F68 AromaticContact CZ-CE2 3.61Å; F64-F68 HydrophobicContact CZ-CE2 3.61Å; F64-F68 HydrophobicContact CZ-CZ 4.49Å; F64-I118 HydrophobicContact CD1-CG1 4.25Å; F64-I118 HydrophobicContact CE1-CD1 4.35Å; F64-I118 HydrophobicContact CE1-CG1 3.85Å; F64-A122 HydrophobicContact CE1-CB 3.72Å; F64-A122 HydrophobicContact CZ-CB 3.86Å
65G93Very high91.9Very high4 Ų480.1 Ų80.14%0.04138%0.38CS..Hα-helixtrans-61.4-36.5-17900000113.8W61 R62 L67 F68 K69 Y75W61-G65 PolarHBondContact O-N 3.01Å; R62-G65 PolarHBondContact O-N 3.33Å; G65-L67 PolarHBondContact O-N 3.04Å; G65-F68 PolarHBondContact O-N 3.16Å; G65-F68 VanDerWaalsContact O-N 3.12Å; G65-K69 PolarHBondContact O-N 2.98Å; G65-Y75 WeakPolarHBondContact O-CD2 3.43Å; G65-Y75 WeakPolarHBondContact O-CE2 3.4Å
66E93.9Very high91.8Very high101 Ų10181.6 Ų81.647%0.47238%0.377SS..Hα-helixtrans-64.1-26177.7-72.2-64.312800113.1R62 F64 F68 K69 Y75R62-E66 PolarHBondContact O-N 3.38Å; F64-E66 VanDerWaalsContact C-N 3.32Å; F64-E66 PolarHBondContact O-N 3.08Å; E66-F68 PolarHBondContact O-N 3.1Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.47Å; E66-K69 WeakPolarHBondContact OE2-CD 3.45Å; E66-K69 IonicContact OE2-NZ 3.35Å; E66-K69 PolarHBondContact OE2-NZ 2.94Å; E66-Y75 PolarHBondContact OE1-OH 3.44Å
67L94.1Very high91.6Very high100 Ų10081.4 Ų81.452%0.52437%0.367SS..Hα-helixtrans-61.8-31.7174.4-60.2175.2000112.3K34 F64 G65K34-L67 HydrophobicContact CB-CD1 4.47Å; K34-L67 HydrophobicContact CD-CD1 4.37Å; K34-L67 HydrophobicContact CG-CD1 4.47Å; F64-L67 HydrophobicContact CD2-CD1 4.48Å; F64-L67 VanDerWaalsContact O-CB 3.31Å; F64-L67 WeakPolarHBondContact O-CB 3.48Å; F64-L67 PolarHBondContact O-N 2.97Å; F64-L67 VanDerWaalsContact O-N 3.15Å; G65-L67 PolarHBondContact O-N 3.04Å
68F94.6Very high91.4Very high0 Ų081.4 Ų81.40%038%0.375CS..Hα-helixtrans-108.4-3.2-172.2-64.4-78.1000114E30 I31 K34 F64 G65 E66 R70 K71 I72 I118E30-F68 HydrophobicContact CB-CE1 4.45Å; E30-F68 HydrophobicContact CG-CE1 4.03Å; E30-F68 HydrophobicContact CG-CZ 4.3Å; I31-F68 HydrophobicContact CB-CE1 4.4Å; I31-F68 HydrophobicContact CB-CZ 4.33Å; I31-F68 HydrophobicContact CG1-CD1 3.88Å; I31-F68 HydrophobicContact CG1-CE1 3.53Å; I31-F68 HydrophobicContact CG1-CE2 4.5Å; I31-F68 HydrophobicContact CG1-CZ 3.89Å; K34-F68 HydrophobicContact CB-CE2 4.17Å; K34-F68 HydrophobicContact CB-CZ 4.01Å; K34-F68 HydrophobicContact CG-CZ 4.16Å; F64-F68 HydrophobicContact CD2-CE2 4.28Å; F64-F68 HydrophobicContact CE1-CD2 4.27Å; F64-F68 HydrophobicContact CE1-CE2 4.2Å; F64-F68 HydrophobicContact CE2-CD2 4.42Å; F64-F68 AromaticContact CE2-CE2 3.65Å; F64-F68 HydrophobicContact CE2-CE2 3.65Å; F64-F68 HydrophobicContact CZ-CD2 4.14Å; F64-F68 AromaticContact CZ-CE2 3.61Å; F64-F68 HydrophobicContact CZ-CE2 3.61Å; F64-F68 HydrophobicContact CZ-CZ 4.49Å; G65-F68 PolarHBondContact O-N 3.16Å; G65-F68 VanDerWaalsContact O-N 3.12Å; E66-F68 PolarHBondContact O-N 3.1Å; F68-R70 PolarHBondContact O-N 3.41Å; F68-K71 PolarHBondContact O-N 2.9Å; F68-I72 HydrophobicContact CB-CG1 4.03Å; F68-I72 PolarHBondContact O-N 3.09Å; F68-I118 HydrophobicContact CB-CD1 3.59Å; F68-I118 HydrophobicContact CB-CG1 4Å; F68-I118 HydrophobicContact CD1-CD1 4.45Å; F68-I118 HydrophobicContact CD2-CD1 3.81Å; F68-I118 HydrophobicContact CD2-CG1 4.08Å; F68-I118 HydrophobicContact CG-CD1 3.69Å; F68-I118 HydrophobicContact CG-CG1 4.29Å
69K91.8Very high91.2Very high100 Ų10078.2 Ų78.244%0.43536%0.362SS..THydrogen-bonded Turntrans-49.7-33.9-179.6177.6172-165.71640115.1G65 E66 Y75G65-K69 PolarHBondContact O-N 2.98Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.47Å; E66-K69 WeakPolarHBondContact OE2-CD 3.45Å; E66-K69 IonicContact OE2-NZ 3.35Å; E66-K69 PolarHBondContact OE2-NZ 2.94Å; K69-Y75 HydrophobicContact CB-CD1 4.25Å; K69-Y75 HydrophobicContact CB-CE1 3.95Å; K69-Y75 HydrophobicContact CB-CE2 4.2Å; K69-Y75 HydrophobicContact CD-CE1 4.16Å; K69-Y75 WeakPolarHBondContact CD-OH 3.37Å; K69-Y75 WeakPolarHBondContact CE-OH 3.48Å; K69-Y75 HydrophobicContact CG-CD1 4.17Å; K69-Y75 HydrophobicContact CG-CE1 3.56Å
70R91.8Very high91Very high248 Ų24875.3 Ų75.394%0.93635%0.349SS*.THydrogen-bonded Turntrans-92.9-15.8179.4-59.1-176.278.8176.74.7113.7F68F68-R70 PolarHBondContact O-N 3.41Å
71K92Very high90.5Very high96 Ų9668.3 Ų68.342%0.41732%0.322SS..THydrogen-bonded Turntrans-99.4-35.9-175.4-69.4-176.1174.6-1750112.3E30 F68E30-K71 IonicContact OE1-NZ 3.82Å; E30-K71 PolarHBondContact OE1-NZ 3.3Å; E30-K71 IonicContact OE2-NZ 3.95Å; E30-K71 PolarHBondContact OE2-NZ 3.05Å; F68-K71 PolarHBondContact O-N 2.9Å
72I91.5Very high90.1Very high7 Ų768.2 Ų68.24%0.03632%0.322CS..SBendtrans-106.5113.4-176.6-59.1-58.3000109.5I31 F68 D74 Y75 K117 I118 L121I31-I72 HydrophobicContact CD1-CD1 4.17Å; I31-I72 HydrophobicContact CD1-CG1 4.44Å; F68-I72 HydrophobicContact CB-CG1 4.03Å; F68-I72 PolarHBondContact O-N 3.09Å; I72-D74 PolarHBondContact O-N 3.07Å; I72-Y75 PolarHBondContact O-N 3.43Å; I72-K117 HydrophobicContact CG2-CD 4.38Å; I72-I118 HydrophobicContact CG1-CD1 4.17Å; I72-L121 HydrophobicContact CD1-CD1 4.48Å; I72-L121 HydrophobicContact CG2-CD1 4.05Å
73P90Very high89.6Confident91 Ų9161.3 Ų61.359%0.59130%0.297SS*.THydrogen-bonded Turntrans-59.6135.5170.5-22.633.7000110.6Y75 K117P73-Y75 PolarHBondContact O-N 3.29Å; P73-K117 PolarHBondContact O-NZ 3.25Å
74D88.8Confident89Confident108 Ų10857.9 Ų57.958%0.57829%0.286SS*.THydrogen-bonded Turntrans5537.6179-52-49.7000112.8I72 N76 F77I72-D74 PolarHBondContact O-N 3.07Å; D74-N76 PolarHBondContact O-N 3.03Å; D74-F77 HydrophobicContact CB-CB 3.91Å; D74-F77 WeakPolarHBondContact O-CB 3.27Å; D74-F77 PolarHBondContact O-N 3.35Å
75Y88.2Confident88.2Confident34 Ų3457.9 Ų57.913%0.13329%0.286CS..THydrogen-bonded Turntrans-52.3-29.1-177.881.5-73000113.8G65 E66 K69 I72 P73 K117 I118G65-Y75 WeakPolarHBondContact O-CD2 3.43Å; G65-Y75 WeakPolarHBondContact O-CE2 3.4Å; E66-Y75 PolarHBondContact OE1-OH 3.44Å; K69-Y75 HydrophobicContact CB-CD1 4.25Å; K69-Y75 HydrophobicContact CB-CE1 3.95Å; K69-Y75 HydrophobicContact CB-CE2 4.2Å; K69-Y75 HydrophobicContact CD-CE1 4.16Å; K69-Y75 WeakPolarHBondContact CD-OH 3.37Å; K69-Y75 WeakPolarHBondContact CE-OH 3.48Å; K69-Y75 HydrophobicContact CG-CD1 4.17Å; K69-Y75 HydrophobicContact CG-CE1 3.56Å; I72-Y75 PolarHBondContact O-N 3.43Å; P73-Y75 PolarHBondContact O-N 3.29Å; Y75-K117 PolarHBondContact O-N 3.09Å; Y75-I118 HydrophobicContact CD2-CG2 4.15Å; Y75-I118 WeakPolarHBondContact O-CG2 3.35Å; Y75-I118 PolarHBondContact O-N 3.26Å
76N86.7Confident87.2Confident107 Ų10764.5 Ų64.557%0.57232%0.316SS*.THydrogen-bonded Turntrans-95.63-17965.8-13.9000114.1D74D74-N76 PolarHBondContact O-N 3.03Å
77F87.7Confident85.9Confident85 Ų8560.7 Ų60.737%0.37330%0.303SS..SBendtrans-69135.7-179.8-174.2-95.5000111.7L2 D74 T79 P116 K117L2-F77 HydrophobicContact CD2-CE1 4.17Å; L2-F77 HydrophobicContact CD2-CZ 3.82Å; L2-F77 HydrophobicContact CG-CZ 4.49Å; D74-F77 HydrophobicContact CB-CB 3.91Å; D74-F77 WeakPolarHBondContact O-CB 3.27Å; D74-F77 PolarHBondContact O-N 3.35Å; F77-T79 PolarHBondContact O-N 3.4Å; F77-T79 PolarHBondContact O-OG1 2.65Å; F77-P116 CarbonylContact O-C 3.59Å; F77-P116 WeakPolarHBondContact O-CA 3.16Å; F77-K117 PolarHBondContact O-N 3.43Å
78G84.9Confident84.5Confident31 Ų3162.4 Ų62.432%0.3231%0.309SS..EExtended strand (participates in β ladder)trans-66.1120.3-179.200000112.1
79T84.3Confident82.7Confident10 Ų1063.9 Ų63.96%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-127.5143.1-177.5-52.90000109F77 V115 F120F77-T79 PolarHBondContact O-N 3.4Å; F77-T79 PolarHBondContact O-OG1 2.65Å; T79-V115 PolarHBondContact N-O 3.03Å; T79-V115 PolarHBondContact O-N 3.37Å; T79-V115 VanDerWaalsContact O-O 3.1Å; T79-F120 HydrophobicContact CG2-CB 3.98Å; T79-F120 HydrophobicContact CG2-CD1 3.96Å; T79-F120 HydrophobicContact CG2-CD2 3.82Å; T79-F120 HydrophobicContact CG2-CE1 4.45Å; T79-F120 HydrophobicContact CG2-CE2 4.31Å; T79-F120 HydrophobicContact CG2-CG 3.63Å
80L86.3Confident81Confident12 Ų1262.9 Ų62.96%0.06331%0.314CS..EExtended strand (participates in β ladder)trans-79.6130.2178.4-61.7175.5000110.6A3 Y4 A7 Y89 I112 L113 I114 F120A3-L80 HydrophobicContact CB-CG 4.25Å; Y4-L80 HydrophobicContact CD1-CD1 3.91Å; Y4-L80 HydrophobicContact CD2-CD1 4.32Å; Y4-L80 HydrophobicContact CE1-CD1 4.02Å; Y4-L80 HydrophobicContact CE2-CD1 4.42Å; Y4-L80 HydrophobicContact CG-CD1 4.07Å; A7-L80 HydrophobicContact CB-CB 4.2Å; A7-L80 HydrophobicContact CB-CD1 4.1Å; L80-Y89 HydrophobicContact CB-CD1 4.37Å; L80-Y89 HydrophobicContact CB-CE1 3.93Å; L80-Y89 PolarHBondContact O-OH 3.48Å; L80-I112 HydrophobicContact CB-CG2 3.71Å; L80-I112 HydrophobicContact CD1-CG2 4.39Å; L80-I112 HydrophobicContact CD2-CG2 3.65Å; L80-I112 HydrophobicContact CG-CG2 4.09Å; L80-L113 CarbonylContact C-O 3.48Å; L80-L113 WeakPolarHBondContact CA-O 3.16Å; L80-I114 HydrophobicContact CD2-CG1 3.7Å; L80-F120 WeakPolarHBondContact O-CD2 3.47Å; L80-F120 WeakPolarHBondContact O-CE2 3.47Å
81L84.7Confident78.8Confident0 Ų053.1 Ų53.10%028%0.283CS..EExtended strand (participates in β ladder)trans-120.3135.4177.2175.972.1000109.6I47 I112 L113 V115 F120 I123 E124I47-L81 HydrophobicContact CG1-CD2 4.47Å; L81-I112 WeakPolarHBondContact O-CA 3.49Å; L81-L113 PolarHBondContact N-O 3.12Å; L81-L113 PolarHBondContact O-N 2.79Å; L81-V115 HydrophobicContact CB-CG1 4.33Å; L81-V115 HydrophobicContact CB-CG2 3.66Å; L81-V115 HydrophobicContact CD2-CG1 4.03Å; L81-V115 HydrophobicContact CD2-CG2 4.14Å; L81-V115 HydrophobicContact CG-CG2 4.46Å; L81-F120 HydrophobicContact CB-CD2 4.43Å; L81-F120 HydrophobicContact CD1-CD2 4.07Å; L81-I123 HydrophobicContact CD1-CB 4.2Å; L81-I123 HydrophobicContact CD1-CG2 3.89Å; L81-I123 HydrophobicContact CD2-CD1 3.51Å; L81-I123 HydrophobicContact CD2-CG2 4.46Å; L81-E124 HydrophobicContact CD1-CG 4.27Å
82R85.7Confident76.7Confident2 Ų251.8 Ų51.81%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-76.9126174.5-55.6-177.1-62.3134.14.9110.3V85 G87 Y89 R127 N133R82-V85 PolarHBondContact NH1-O 2.78Å; R82-G87 WeakPolarHBondContact CD-O 3.27Å; R82-G87 PolarHBondContact NH1-O 3.04Å; R82-Y89 HydrophobicContact CG-CD1 3.73Å; R82-Y89 HydrophobicContact CG-CD2 4.09Å; R82-Y89 HydrophobicContact CG-CE1 3.42Å; R82-Y89 VanDerWaalsContact CG-CE1 3.42Å; R82-Y89 HydrophobicContact CG-CE2 3.8Å; R82-Y89 HydrophobicContact CG-CG 4.07Å; R82-Y89 VanDerWaalsContact CG-CZ 3.47Å; R82-R127 PolarHBondContact O-NH1 3Å; R82-R127 PolarHBondContact O-NH2 3.49Å; R82-R127 VanDerWaalsContact O-NH2 3.11Å; R82-N133 PolarHBondContact NH2-OD1 3.14Å
83C81.9Confident73.9Confident10 Ų1057.1 Ų57.17%0.06831%0.313CS..SBendtrans-64.3-46.8173.9-68.40000110.8M46 I47 E111 L113 R127M46-C83 CarbonylContact C-O 3.59Å; M46-C83 WeakPolarHBondContact CA-O 3.26Å; I47-C83 PolarHBondContact N-O 2.78Å; C83-E111 PolarHBondContact N-O 2.79Å; C83-L113 VanDerWaalsContact SG-CG 3.53Å; C83-R127 PolarHBondContact O-NH2 3Å
84N81.6Confident71.5Confident66 Ų6656.9 Ų56.935%0.35331%0.31SS..BIsolated β-bridgetrans-103.4134.1178-173-8.1000110.5D45 E86 G87D45-N84 WeakPolarHBondContact O-CA 3.44Å; N84-E86 VanDerWaalsContact C-N 3.26Å; N84-E86 PolarHBondContact O-N 2.72Å; N84-E86 PolarHBondContact OD1-N 3.26Å; N84-G87 PolarHBondContact O-N 2.87Å
85V78.5Confident69.3Low3 Ų357.8 Ų57.82%0.01831%0.314CS..SBendtrans-67.3-24174.5-66.70000113.7L44 D45 R82 R127 F132 I136L44-V85 WeakPolarHBondContact O-CG1 3.33Å; D45-V85 HydrophobicContact CB-CG2 4.26Å; D45-V85 PolarHBondContact O-N 3.3Å; R82-V85 PolarHBondContact NH1-O 2.78Å; V85-R127 HydrophobicContact CG1-CG 4.16Å; V85-R127 VanDerWaalsContact CG1-CZ 3.47Å; V85-F132 HydrophobicContact CG1-CB 4.07Å; V85-F132 HydrophobicContact CG2-CD1 4.48Å; V85-I136 VanDerWaalsContact O-CD1 3.28Å; V85-I136 WeakPolarHBondContact O-CD1 3.37Å; V85-I136 WeakPolarHBondContact O-CG1 3.4Å
86E73Confident67Low144 Ų14460 Ų6067%0.67333%0.327SS*.SBendtrans-86.4-20.1179.9-60.5-175.3160.900112.8N84N84-E86 VanDerWaalsContact C-N 3.26Å; N84-E86 PolarHBondContact O-N 2.72Å; N84-E86 PolarHBondContact OD1-N 3.26Å
87G66.7Low64.6Low20 Ų2057.4 Ų57.421%0.20633%0.326CS..SBendtrans-79.9145.8179.600000112.4R82 N84R82-G87 WeakPolarHBondContact CD-O 3.27Å; R82-G87 PolarHBondContact NH1-O 3.04Å; N84-G87 PolarHBondContact O-N 2.87Å
88E63.3Low62Low137 Ų13762.6 Ų62.664%0.6435%0.349SS*.  trans-73173.6165.2-64.2-173.8174.200110M11 D90M11-E88 HydrophobicContact CE-CB 4.47Å; M11-E88 HydrophobicContact CE-CG 4.08Å; E88-D90 PolarHBondContact O-N 3.37Å
89Y58.1Low59.7Low31 Ų3166.8 Ų66.812%0.12237%0.373CS..SBendtrans-74.263.8162.3-69.6-83.3000109A7 M11 L80 R82 I112A7-Y89 HydrophobicContact CB-CD1 3.9Å; A7-Y89 HydrophobicContact CB-CD2 3.97Å; A7-Y89 HydrophobicContact CB-CE1 3.8Å; A7-Y89 HydrophobicContact CB-CE2 3.89Å; A7-Y89 HydrophobicContact CB-CG 3.96Å; A7-Y89 WeakPolarHBondContact O-CE2 2.99Å; M11-Y89 HydrophobicContact CB-CD2 4.02Å; M11-Y89 HydrophobicContact CB-CE2 4.26Å; M11-Y89 HydrophobicContact CG-CD2 4.27Å; M11-Y89 HydrophobicContact SD-CD2 4.26Å; M11-Y89 HydrophobicContact SD-CE2 4.42Å; L80-Y89 HydrophobicContact CB-CD1 4.37Å; L80-Y89 HydrophobicContact CB-CE1 3.93Å; L80-Y89 PolarHBondContact O-OH 3.48Å; R82-Y89 HydrophobicContact CG-CD1 3.73Å; R82-Y89 HydrophobicContact CG-CD2 4.09Å; R82-Y89 HydrophobicContact CG-CE1 3.42Å; R82-Y89 VanDerWaalsContact CG-CE1 3.42Å; R82-Y89 HydrophobicContact CG-CE2 3.8Å; R82-Y89 HydrophobicContact CG-CG 4.07Å; R82-Y89 VanDerWaalsContact CG-CZ 3.47Å; Y89-I112 HydrophobicContact CD1-CD1 4.01Å; Y89-I112 HydrophobicContact CD1-CG1 4.17Å; Y89-I112 HydrophobicContact CD1-CG2 4.28Å
90D54.7Low57.6Low78 Ų7871.8 Ų71.842%0.41740%0.399SS..  trans-78.3141.6177.296.923.1000109.8E88 I112E88-D90 PolarHBondContact O-N 3.37Å; D90-I112 VanDerWaalsContact O-CD1 3.31Å; D90-I112 WeakPolarHBondContact O-CD1 3.5Å
91S47.2Very low55.5Low43 Ų4377.2 Ų77.230%0.30143%0.433SS..  trans-133.1111.2178-175.20000107.2N93 T94S91-N93 PolarHBondContact O-N 3.33Å; S91-N93 VanDerWaalsContact OG-C 3.23Å; S91-N93 PolarHBondContact OG-N 2.72Å; S91-T94 PolarHBondContact OG-N 3.16Å
92P46.2Very low53.3Low69 Ų6983.9 Ų83.945%0.44847%0.466SS..SBendtrans-74.280.11541.815.3000106.7I109P92-I109 HydrophobicContact CG-CG2 4.32Å
93N34.5Very low51Low119 Ų11989.7 Ų89.764%0.63650%0.497SS*.  trans94.582.4168-49.1-59.6000118.3S91 I95 F107S91-N93 PolarHBondContact O-N 3.33Å; S91-N93 VanDerWaalsContact OG-C 3.23Å; S91-N93 PolarHBondContact OG-N 2.72Å; N93-I95 PolarHBondContact O-N 2.76Å; N93-F107 WeakPolarHBondContact O-CE1 3.27Å; N93-F107 WeakPolarHBondContact O-CZ 3.42Å
94T38.8Very low49.4Very low86 Ų8693.2 Ų93.253%0.52851%0.514SS..  trans-49.180.8166.1-45.20000113.4Y4 S91 L96Y4-T94 HydrophobicContact CD1-CG2 3.95Å; Y4-T94 HydrophobicContact CD2-CG2 4.08Å; Y4-T94 HydrophobicContact CE1-CG2 3.52Å; Y4-T94 HydrophobicContact CE2-CG2 3.66Å; Y4-T94 HydrophobicContact CG-CG2 4.21Å; S91-T94 PolarHBondContact OG-N 3.16Å; T94-L96 PolarHBondContact O-N 3.3Å
95I43.1Very low47.6Very low127 Ų12797.8 Ų97.865%0.65153%0.528SS*.  trans-96.483.4172.8-60.2174.3000109.1N93 F107N93-I95 PolarHBondContact O-N 2.76Å; I95-F107 HydrophobicContact CD1-CE2 4.4Å; I95-F107 HydrophobicContact CD1-CZ 4.42Å
96L39.5Very low45.9Very low79 Ų79105.6 Ų105.641%0.41456%0.564SS.*  trans-104.985.3167.9-160.787.4000110Y4 T94Y4-L96 HydrophobicContact CD2-CB 4.35Å; Y4-L96 HydrophobicContact CD2-CD1 4.46Å; Y4-L96 HydrophobicContact CD2-CD2 4.24Å; Y4-L96 HydrophobicContact CE2-CB 3.92Å; Y4-L96 HydrophobicContact CE2-CD1 4.05Å; Y4-L96 HydrophobicContact CE2-CG 4.37Å; T94-L96 PolarHBondContact O-N 3.3Å
97G36.7Very low44.5Very low54 Ų54103.3 Ų103.356%0.55755%0.552SS**  trans-174.981.7174.700000112.9
98K31.9Very low43.5Very low193 Ų193104 Ų10484%0.83956%0.556SS**SBendtrans157.4121.2145.6-84.8158.1-172.2-175.10110.5
99S37.9Very low42.8Very low120 Ų120101.5 Ų101.584%0.83955%0.546SS*.  trans35.498.4157.8-142.60000117.7V101S99-V101 PolarHBondContact O-N 3.05Å
100L39.5Very low42.6Very low115 Ų115102.7 Ų102.760%0.60257%0.567SS**THydrogen-bonded Turntrans-90.69.5-148.2-94.6158.9000118.8I104L100-I104 VanDerWaalsContact O-CD1 3.32Å; L100-I104 WeakPolarHBondContact O-CD1 3.33Å; L100-I104 WeakPolarHBondContact O-CG1 3.12Å
101V41.4Very low43.2Very low126 Ų126102.8 Ų102.876%0.76457%0.565SS**THydrogen-bonded Turntrans-96.2-19.9-173-172.30000114.4S99S99-V101 PolarHBondContact O-N 3.05Å
102I39.2Very low44.3Very low139 Ų139102.1 Ų102.171%0.71356%0.558SS**SBendtrans-112.8-20.4-170.5-65.4175.1000114.6
103L37.8Very low45.9Very low125 Ų12599.5 Ų99.565%0.65454%0.54SS*.SBendtrans-98.94.5-177.8-64.9176.3000115.4Y105 Q106L103-Y105 PolarHBondContact O-N 2.82Å; L103-Y105 VanDerWaalsContact O-N 3.09Å; L103-Q106 PolarHBondContact O-N 3.31Å; L103-Q106 VanDerWaalsContact O-N 3.14Å
104I48.5Very low48.2Very low83 Ų8397.9 Ų97.943%0.42653%0.531SS..THydrogen-bonded Turntrans-57.1-27.9176-55.4175.6000111.2L100 Q106L100-I104 VanDerWaalsContact O-CD1 3.32Å; L100-I104 WeakPolarHBondContact O-CD1 3.33Å; L100-I104 WeakPolarHBondContact O-CG1 3.12Å; I104-Q106 VanDerWaalsContact C-N 3.34Å; I104-Q106 PolarHBondContact O-N 3.5Å
105Y43.1Very low50.5Low163 Ų16394.1 Ų94.164%0.63951%0.507SS*.THydrogen-bonded Turntrans-70.4-24.4-178.7-71.5-78.6000114.8L103L103-Y105 PolarHBondContact O-N 2.82Å; L103-Y105 VanDerWaalsContact O-N 3.09Å
106Q42.5Very low52.7Low167 Ų16790.1 Ų90.178%0.7849%0.49SS*.THydrogen-bonded Turntrans-98.4-14.5-167.6-150.786.93700114.1L103 I104L103-Q106 PolarHBondContact O-N 3.31Å; L103-Q106 VanDerWaalsContact O-N 3.14Å; I104-Q106 VanDerWaalsContact C-N 3.34Å; I104-Q106 PolarHBondContact O-N 3.5Å
107F43.1Very low55.2Low96 Ų9689.4 Ų89.442%0.42148%0.483SS..  trans-120.533.9-171.9-137.9-93.6000113.5N93 I95 I109N93-F107 WeakPolarHBondContact O-CE1 3.27Å; N93-F107 WeakPolarHBondContact O-CZ 3.42Å; I95-F107 HydrophobicContact CD1-CE2 4.4Å; I95-F107 HydrophobicContact CD1-CZ 4.42Å; F107-I109 HydrophobicContact CD1-CD1 4.15Å; F107-I109 HydrophobicContact CD1-CG1 4.25Å; F107-I109 HydrophobicContact CD2-CD1 4.41Å; F107-I109 HydrophobicContact CE1-CD1 3.59Å; F107-I109 HydrophobicContact CE1-CG1 4.18Å; F107-I109 HydrophobicContact CE2-CD1 3.88Å; F107-I109 HydrophobicContact CZ-CD1 3.45Å; F107-I109 VanDerWaalsContact CZ-CD1 3.45Å; F107-I109 HydrophobicContact CZ-CG1 4.36Å; F107-I109 PolarHBondContact O-N 3.26Å; F107-I109 VanDerWaalsContact O-N 3.14Å
108A47.2Very low57.9Low34 Ų3487 Ų8728%0.28146%0.458SS..  trans-79.873.6155.600000107.5E49 G110E49-A108 WeakPolarHBondContact OE1-CB 3.3Å; A108-G110 PolarHBondContact O-N 3.36Å
109I48.1Very low60.7Low85 Ų8579.1 Ų79.144%0.43642%0.424SS..  trans-74.485162.7-56.6-179.6000104.9P92 F107 E111P92-I109 HydrophobicContact CG-CG2 4.32Å; F107-I109 HydrophobicContact CD1-CD1 4.15Å; F107-I109 HydrophobicContact CD1-CG1 4.25Å; F107-I109 HydrophobicContact CD2-CD1 4.41Å; F107-I109 HydrophobicContact CE1-CD1 3.59Å; F107-I109 HydrophobicContact CE1-CG1 4.18Å; F107-I109 HydrophobicContact CE2-CD1 3.88Å; F107-I109 HydrophobicContact CZ-CD1 3.45Å; F107-I109 VanDerWaalsContact CZ-CD1 3.45Å; F107-I109 HydrophobicContact CZ-CG1 4.36Å; F107-I109 PolarHBondContact O-N 3.26Å; F107-I109 VanDerWaalsContact O-N 3.14Å; I109-E111 PolarHBondContact O-N 3.04Å
110G54.4Low63.4Low55 Ų5574.2 Ų74.257%0.56739%0.388SS*.SBendtrans62.3-33158.400000120.6A108A108-G110 PolarHBondContact O-N 3.36Å
111E66.1Low66Low80 Ų8069 Ų6937%0.37436%0.36SS..SBendtrans-127.9-21.8-154.7-55.1-156.8168.100114.6C83 I109C83-E111 PolarHBondContact N-O 2.79Å; I109-E111 PolarHBondContact O-N 3.04Å
112I70.8Confident68.6Low29 Ų2963 Ų6315%0.14932%0.324CS..EExtended strand (participates in β ladder)trans-130.5124.6-173.5-53173.1000111.3L80 L81 Y89 D90L80-I112 HydrophobicContact CB-CG2 3.71Å; L80-I112 HydrophobicContact CD1-CG2 4.39Å; L80-I112 HydrophobicContact CD2-CG2 3.65Å; L80-I112 HydrophobicContact CG-CG2 4.09Å; L81-I112 WeakPolarHBondContact O-CA 3.49Å; Y89-I112 HydrophobicContact CD1-CD1 4.01Å; Y89-I112 HydrophobicContact CD1-CG1 4.17Å; Y89-I112 HydrophobicContact CD1-CG2 4.28Å; D90-I112 VanDerWaalsContact O-CD1 3.31Å; D90-I112 WeakPolarHBondContact O-CD1 3.5Å
113L79.1Confident71.2Confident15 Ų1556.4 Ų56.48%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-104.1139.2174.7-66.3170.8000111.2I47 E49 L80 L81 C83 V115I47-L113 HydrophobicContact CG2-CD1 4.08Å; E49-L113 HydrophobicContact CB-CD1 4.43Å; E49-L113 HydrophobicContact CB-CD2 4.14Å; E49-L113 VanDerWaalsContact CD-CD2 3.44Å; E49-L113 HydrophobicContact CG-CD2 3.66Å; E49-L113 WeakPolarHBondContact OE1-CD2 3.44Å; L80-L113 CarbonylContact C-O 3.48Å; L80-L113 WeakPolarHBondContact CA-O 3.16Å; L81-L113 PolarHBondContact N-O 3.12Å; L81-L113 PolarHBondContact O-N 2.79Å; C83-L113 VanDerWaalsContact SG-CG 3.53Å; L113-V115 HydrophobicContact CB-CG1 4.05Å
114I83.3Confident73.9Confident85 Ų8550.5 Ų50.544%0.43626%0.259SS..EExtended strand (participates in β ladder)trans-86.7112.7165.2-60.6171.1000108L80L80-I114 HydrophobicContact CD2-CG1 3.7Å
115V86.8Confident76.1Confident6 Ų646.7 Ų46.74%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-122.6152.4178-60.70000110.5M52 T79 L81 L113 Q119 F120M52-V115 HydrophobicContact CE-CG1 4.33Å; T79-V115 PolarHBondContact N-O 3.03Å; T79-V115 PolarHBondContact O-N 3.37Å; T79-V115 VanDerWaalsContact O-O 3.1Å; L81-V115 HydrophobicContact CB-CG1 4.33Å; L81-V115 HydrophobicContact CB-CG2 3.66Å; L81-V115 HydrophobicContact CD2-CG1 4.03Å; L81-V115 HydrophobicContact CD2-CG2 4.14Å; L81-V115 HydrophobicContact CG-CG2 4.46Å; L113-V115 HydrophobicContact CB-CG1 4.05Å; V115-Q119 HydrophobicContact CB-CB 3.98Å; V115-Q119 HydrophobicContact CG2-CB 4.14Å; V115-F120 HydrophobicContact CG2-CB 3.85Å
116P90.7Very high78.5Confident43 Ų4338.9 Ų38.928%0.27921%0.209SC..EExtended strand (participates in β ladder)trans-49.7141.4165-29.736.1000112.1F77 I118 Q119 F120F77-P116 CarbonylContact O-C 3.59Å; F77-P116 WeakPolarHBondContact O-CA 3.16Å; P116-I118 HydrophobicContact CB-CG2 4.2Å; P116-I118 PolarHBondContact O-N 2.99Å; P116-Q119 HydrophobicContact CB-CG 4.18Å; P116-Q119 HydrophobicContact CG-CG 4.31Å; P116-Q119 WeakPolarHBondContact O-CA 3.48Å; P116-Q119 WeakPolarHBondContact O-CB 3.36Å; P116-Q119 PolarHBondContact O-N 2.77Å; P116-F120 PolarHBondContact O-N 2.92Å; P116-F120 VanDerWaalsContact O-N 3.1Å
117K90.7Very high80.9Confident65 Ų6531 Ų3128%0.28317%0.172SC..Hα-helixtrans-47.5-39.9177.8-179.7-179.8176.4-175.60112.9I72 P73 Y75 F77 Q119 F120 L121I72-K117 HydrophobicContact CG2-CD 4.38Å; P73-K117 PolarHBondContact O-NZ 3.25Å; Y75-K117 PolarHBondContact O-N 3.09Å; F77-K117 PolarHBondContact O-N 3.43Å; K117-Q119 VanDerWaalsContact C-N 3.33Å; K117-Q119 PolarHBondContact O-N 2.76Å; K117-F120 WeakPolarHBondContact O-CB 3.48Å; K117-F120 PolarHBondContact O-N 3.08Å; K117-L121 HydrophobicContact CG-CD1 4.17Å; K117-L121 HydrophobicContact CG-CG 4.36Å; K117-L121 WeakPolarHBondContact O-CB 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.46Å; K117-L121 PolarHBondContact O-N 3.33Å
118I93.3Very high83.2Confident3 Ų326.5 Ų26.52%0.01515%0.152CC..Hα-helixtrans-65.8-33.4178.4-168.455.2000113.5I31 F64 F68 I72 Y75 P116 A122I31-I118 HydrophobicContact CD1-CD1 4.21Å; I31-I118 HydrophobicContact CG1-CD1 4.42Å; F64-I118 HydrophobicContact CD1-CG1 4.25Å; F64-I118 HydrophobicContact CE1-CD1 4.35Å; F64-I118 HydrophobicContact CE1-CG1 3.85Å; F68-I118 HydrophobicContact CB-CD1 3.59Å; F68-I118 HydrophobicContact CB-CG1 4Å; F68-I118 HydrophobicContact CD1-CD1 4.45Å; F68-I118 HydrophobicContact CD2-CD1 3.81Å; F68-I118 HydrophobicContact CD2-CG1 4.08Å; F68-I118 HydrophobicContact CG-CD1 3.69Å; F68-I118 HydrophobicContact CG-CG1 4.29Å; I72-I118 HydrophobicContact CG1-CD1 4.17Å; Y75-I118 HydrophobicContact CD2-CG2 4.15Å; Y75-I118 WeakPolarHBondContact O-CG2 3.35Å; Y75-I118 PolarHBondContact O-N 3.26Å; P116-I118 HydrophobicContact CB-CG2 4.2Å; P116-I118 PolarHBondContact O-N 2.99Å; I118-A122 WeakPolarHBondContact O-CB 3.46Å; I118-A122 PolarHBondContact O-N 3.11Å
119Q92.3Very high85.2Confident27 Ų2728.4 Ų28.413%0.12615%0.152CC..Hα-helixtrans-70.7-44.2174.4-62.9-174.2-2.900110.4W61 V115 P116 K117 L121 A122 I123W61-Q119 VanDerWaalsContact CB-NE2 3.26Å; W61-Q119 HydrophobicContact CD2-CG 3.82Å; W61-Q119 HydrophobicContact CE3-CB 4.36Å; W61-Q119 HydrophobicContact CE3-CG 3.62Å; W61-Q119 HydrophobicContact CG-CG 4.27Å; W61-Q119 HydrophobicContact CH2-CB 4.41Å; W61-Q119 HydrophobicContact CH2-CG 4.49Å; W61-Q119 HydrophobicContact CZ3-CB 4.23Å; W61-Q119 HydrophobicContact CZ3-CG 3.98Å; V115-Q119 HydrophobicContact CB-CB 3.98Å; V115-Q119 HydrophobicContact CG2-CB 4.14Å; P116-Q119 HydrophobicContact CB-CG 4.18Å; P116-Q119 HydrophobicContact CG-CG 4.31Å; P116-Q119 WeakPolarHBondContact O-CA 3.48Å; P116-Q119 WeakPolarHBondContact O-CB 3.36Å; P116-Q119 PolarHBondContact O-N 2.77Å; K117-Q119 VanDerWaalsContact C-N 3.33Å; K117-Q119 PolarHBondContact O-N 2.76Å; Q119-L121 PolarHBondContact O-N 3.18Å; Q119-A122 PolarHBondContact O-N 3.42Å; Q119-I123 WeakPolarHBondContact O-CG1 3.11Å; Q119-I123 PolarHBondContact O-N 2.98Å
120F93.3Very high87.3Confident18 Ų1827.8 Ų27.88%0.07915%0.147CC..Hα-helixtrans-55.1-52173.7168.6-91.5000111.2H10 T79 L80 L81 V115 P116 K117 A122 I123 E124H10-F120 HydrophobicContact CB-CZ 4.36Å; H10-F120 AromaticContact CD2-CZ 3.69Å; H10-F120 AromaticContact CE1-CZ 3.9Å; H10-F120 AromaticContact CG-CZ 3.7Å; H10-F120 AromaticContact ND1-CZ 3.83Å; H10-F120 AromaticContact NE2-CZ 3.81Å; T79-F120 HydrophobicContact CG2-CB 3.98Å; T79-F120 HydrophobicContact CG2-CD1 3.96Å; T79-F120 HydrophobicContact CG2-CD2 3.82Å; T79-F120 HydrophobicContact CG2-CE1 4.45Å; T79-F120 HydrophobicContact CG2-CE2 4.31Å; T79-F120 HydrophobicContact CG2-CG 3.63Å; L80-F120 WeakPolarHBondContact O-CD2 3.47Å; L80-F120 WeakPolarHBondContact O-CE2 3.47Å; L81-F120 HydrophobicContact CB-CD2 4.43Å; L81-F120 HydrophobicContact CD1-CD2 4.07Å; V115-F120 HydrophobicContact CG2-CB 3.85Å; P116-F120 PolarHBondContact O-N 2.92Å; P116-F120 VanDerWaalsContact O-N 3.1Å; K117-F120 WeakPolarHBondContact O-CB 3.48Å; K117-F120 PolarHBondContact O-N 3.08Å; F120-A122 PolarHBondContact O-N 3.32Å; F120-I123 PolarHBondContact O-N 3.11Å; F120-E124 HydrophobicContact CD2-CG 4Å; F120-E124 HydrophobicContact CE1-CG 4.37Å; F120-E124 HydrophobicContact CE2-CG 3.59Å; F120-E124 HydrophobicContact CZ-CB 4.44Å; F120-E124 HydrophobicContact CZ-CG 3.8Å; F120-E124 WeakPolarHBondContact O-CB 3.28Å; F120-E124 PolarHBondContact O-N 2.83Å
121L94.8Very high88.9Confident6 Ų626.5 Ų26.53%0.03113%0.134CC..Hα-helixtrans-57.6-49.4178-72.6174.6000111.1L24 I31 I72 K117 Q119 I123 E124 I125L24-L121 HydrophobicContact CB-CD2 3.58Å; I31-L121 HydrophobicContact CD1-CB 4.44Å; I31-L121 HydrophobicContact CD1-CD1 4.36Å; I72-L121 HydrophobicContact CD1-CD1 4.48Å; I72-L121 HydrophobicContact CG2-CD1 4.05Å; K117-L121 HydrophobicContact CG-CD1 4.17Å; K117-L121 HydrophobicContact CG-CG 4.36Å; K117-L121 WeakPolarHBondContact O-CB 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.46Å; K117-L121 PolarHBondContact O-N 3.33Å; Q119-L121 PolarHBondContact O-N 3.18Å; L121-I123 VanDerWaalsContact C-N 3.32Å; L121-I123 PolarHBondContact O-N 2.84Å; L121-E124 PolarHBondContact O-N 3.02Å; L121-I125 HydrophobicContact CB-CD1 4.06Å; L121-I125 WeakPolarHBondContact O-CB 3.37Å; L121-I125 VanDerWaalsContact O-CD1 3.25Å; L121-I125 WeakPolarHBondContact O-CD1 3.4Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 2.97Å
122A95.9Very high89.9Confident0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-57.1-45.7-179.300000112.7I31 F35 W61 F64 I118 Q119 F120 A126I31-A122 HydrophobicContact CG2-CB 3.97Å; F35-A122 HydrophobicContact CB-CB 4.11Å; F35-A122 HydrophobicContact CD2-CB 3.77Å; F35-A122 HydrophobicContact CE2-CB 4.48Å; F35-A122 HydrophobicContact CG-CB 4Å; W61-A122 HydrophobicContact CH2-CB 4.18Å; W61-A122 HydrophobicContact CZ3-CB 4.1Å; F64-A122 HydrophobicContact CE1-CB 3.72Å; F64-A122 HydrophobicContact CZ-CB 3.86Å; I118-A122 WeakPolarHBondContact O-CB 3.46Å; I118-A122 PolarHBondContact O-N 3.11Å; Q119-A122 PolarHBondContact O-N 3.42Å; F120-A122 PolarHBondContact O-N 3.32Å; A122-A126 VanDerWaalsContact O-CB 3.26Å; A122-A126 WeakPolarHBondContact O-CB 3.29Å; A122-A126 PolarHBondContact O-N 3.16Å; A122-A126 VanDerWaalsContact O-N 3.13Å
123I94.6Very high90.6Very high0 Ų023 Ų230%012%0.117CC..Hα-helixtrans-71.6-48.3-177.9-66.9168.8000111F35 L44 I47 M52 W61 L81 Q119 F120 L121 A126 R127F35-I123 HydrophobicContact CE2-CG1 4.47Å; L44-I123 HydrophobicContact CD2-CG2 4.23Å; I47-I123 HydrophobicContact CD1-CD1 4.41Å; I47-I123 HydrophobicContact CD1-CG2 4.03Å; M52-I123 HydrophobicContact CE-CD1 4.43Å; W61-I123 HydrophobicContact CH2-CD1 4.3Å; W61-I123 HydrophobicContact CH2-CG1 4.17Å; W61-I123 HydrophobicContact CZ2-CD1 4.11Å; W61-I123 HydrophobicContact CZ2-CG1 4.38Å; L81-I123 HydrophobicContact CD1-CB 4.2Å; L81-I123 HydrophobicContact CD1-CG2 3.89Å; L81-I123 HydrophobicContact CD2-CD1 3.51Å; L81-I123 HydrophobicContact CD2-CG2 4.46Å; Q119-I123 WeakPolarHBondContact O-CG1 3.11Å; Q119-I123 PolarHBondContact O-N 2.98Å; F120-I123 PolarHBondContact O-N 3.11Å; L121-I123 VanDerWaalsContact C-N 3.32Å; L121-I123 PolarHBondContact O-N 2.84Å; I123-A126 PolarHBondContact O-N 3.22Å; I123-R127 HydrophobicContact CG2-CG 4.47Å; I123-R127 VanDerWaalsContact O-CG 3.32Å; I123-R127 WeakPolarHBondContact O-CG 3.49Å; I123-R127 PolarHBondContact O-N 2.81Å
124E92.9Very high90.6Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-70.8-35.8-177.9-70.3-58.814400112.9H10 L24 L81 F120 L121 A126 R127 N128 N133H10-E124 IonicContact CE1-OE2 3.95Å; H10-E124 PolarHBondContact CE1-OE2 2.84Å; H10-E124 VanDerWaalsContact CE1-OE2 3.3Å; H10-E124 IonicContact NE2-OE2 3.3Å; L24-E124 HydrophobicContact CD1-CB 3.64Å; L81-E124 HydrophobicContact CD1-CG 4.27Å; F120-E124 HydrophobicContact CD2-CG 4Å; F120-E124 HydrophobicContact CE1-CG 4.37Å; F120-E124 HydrophobicContact CE2-CG 3.59Å; F120-E124 HydrophobicContact CZ-CB 4.44Å; F120-E124 HydrophobicContact CZ-CG 3.8Å; F120-E124 WeakPolarHBondContact O-CB 3.28Å; F120-E124 PolarHBondContact O-N 2.83Å; L121-E124 PolarHBondContact O-N 3.02Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.93Å; E124-R127 PolarHBondContact O-N 2.87Å; E124-R127 WeakPolarHBondContact OE1-CD 3.39Å; E124-R127 IonicContact OE1-CZ 3.71Å; E124-R127 IonicContact OE1-NE 2.76Å; E124-R127 IonicContact OE1-NH1 2.72Å; E124-R127 PolarHBondContact OE1-NH1 3.15Å; E124-N128 WeakPolarHBondContact O-CB 3.46Å; E124-N128 PolarHBondContact O-N 2.99Å; E124-N128 PolarHBondContact O-OD1 2.86Å; E124-N133 PolarHBondContact OE2-ND2 3.03Å
125I94.5Very high90Very high3 Ų327.5 Ų27.52%0.01514%0.139CC..Hα-helixtrans-61.7-44.8171.4-67.4164.1000109.6L24 D28 I31 L121 N128 R129L24-I125 HydrophobicContact CB-CD1 4.5Å; L24-I125 HydrophobicContact CB-CG1 4.14Å; L24-I125 HydrophobicContact CD1-CG1 4.05Å; L24-I125 HydrophobicContact CG-CG1 4.39Å; D28-I125 HydrophobicContact CB-CD1 3.96Å; D28-I125 HydrophobicContact CB-CG1 4.37Å; D28-I125 HydrophobicContact CB-CG2 4.1Å; D28-I125 VanDerWaalsContact OD1-CD1 3.24Å; D28-I125 WeakPolarHBondContact OD1-CD1 3.44Å; I31-I125 HydrophobicContact CB-CD1 4.16Å; I31-I125 HydrophobicContact CD1-CD1 4.03Å; I31-I125 HydrophobicContact CG2-CD1 3.96Å; L121-I125 HydrophobicContact CB-CD1 4.06Å; L121-I125 WeakPolarHBondContact O-CB 3.37Å; L121-I125 VanDerWaalsContact O-CD1 3.25Å; L121-I125 WeakPolarHBondContact O-CD1 3.4Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 2.97Å; I125-N128 WeakPolarHBondContact O-CB 3.24Å; I125-N128 PolarHBondContact O-N 3.4Å; I125-R129 HydrophobicContact CG2-CG 4.24Å; I125-R129 WeakPolarHBondContact O-CB 3.45Å; I125-R129 VanDerWaalsContact O-CG 3.24Å; I125-R129 WeakPolarHBondContact O-CG 3.12Å; I125-R129 PolarHBondContact O-N 3.05Å
126A94.5Very high89.2Confident0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-64.2-41.6177.700000111.9Y32 F35 L44 A122 I123 E124 N128 R129 E130Y32-A126 HydrophobicContact CD2-CB 3.82Å; Y32-A126 HydrophobicContact CE2-CB 3.78Å; F35-A126 HydrophobicContact CD1-CB 3.75Å; F35-A126 HydrophobicContact CE1-CB 3.55Å; L44-A126 HydrophobicContact CD1-CB 3.54Å; L44-A126 HydrophobicContact CD2-CB 4.16Å; A122-A126 VanDerWaalsContact O-CB 3.26Å; A122-A126 WeakPolarHBondContact O-CB 3.29Å; A122-A126 PolarHBondContact O-N 3.16Å; A122-A126 VanDerWaalsContact O-N 3.13Å; I123-A126 PolarHBondContact O-N 3.22Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.93Å; A126-N128 VanDerWaalsContact C-N 3.3Å; A126-N128 PolarHBondContact O-N 3.18Å; A126-R129 PolarHBondContact O-N 3.36Å; A126-E130 WeakPolarHBondContact O-CB 3.32Å; A126-E130 WeakPolarHBondContact O-CG 3.39Å; A126-E130 PolarHBondContact O-N 3.11Å
127R92.8Very high87.7Confident0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-59.1-39.7173.8-76.1170.9167.3177.7-9.8112.4L44 R82 C83 V85 I123 E124 G131 F132 N133L44-R127 HydrophobicContact CB-CG 4.04Å; L44-R127 VanDerWaalsContact O-CZ 3.31Å; L44-R127 PolarHBondContact O-NE 2.85Å; L44-R127 PolarHBondContact O-NH2 3.11Å; R82-R127 PolarHBondContact O-NH1 3Å; R82-R127 PolarHBondContact O-NH2 3.49Å; R82-R127 VanDerWaalsContact O-NH2 3.11Å; C83-R127 PolarHBondContact O-NH2 3Å; V85-R127 HydrophobicContact CG1-CG 4.16Å; V85-R127 VanDerWaalsContact CG1-CZ 3.47Å; I123-R127 HydrophobicContact CG2-CG 4.47Å; I123-R127 VanDerWaalsContact O-CG 3.32Å; I123-R127 WeakPolarHBondContact O-CG 3.49Å; I123-R127 PolarHBondContact O-N 2.81Å; E124-R127 PolarHBondContact O-N 2.87Å; E124-R127 WeakPolarHBondContact OE1-CD 3.39Å; E124-R127 IonicContact OE1-CZ 3.71Å; E124-R127 IonicContact OE1-NE 2.76Å; E124-R127 IonicContact OE1-NH1 2.72Å; E124-R127 PolarHBondContact OE1-NH1 3.15Å; R127-G131 PolarHBondContact O-N 3.47Å; R127-G131 VanDerWaalsContact O-N 3.09Å; R127-F132 HydrophobicContact CB-CB 4.09Å; R127-F132 HydrophobicContact CG-CB 4.14Å; R127-F132 PolarHBondContact O-N 2.73Å; R127-N133 PolarHBondContact O-N 2.59Å
128N90.9Very high85.8Confident2 Ų236.7 Ų36.71%0.01121%0.21CC..Hα-helixtrans-67-47.3175.6-73.5-9.1000111.9C19 E124 I125 A126 E130 G131 N133C19-N128 WeakPolarHBondContact CB-OD1 3.13Å; C19-N128 WeakPolarHBondContact O-CB 3.24Å; E124-N128 WeakPolarHBondContact O-CB 3.46Å; E124-N128 PolarHBondContact O-N 2.99Å; E124-N128 PolarHBondContact O-OD1 2.86Å; I125-N128 WeakPolarHBondContact O-CB 3.24Å; I125-N128 PolarHBondContact O-N 3.4Å; A126-N128 VanDerWaalsContact C-N 3.3Å; A126-N128 PolarHBondContact O-N 3.18Å; N128-E130 VanDerWaalsContact C-N 3.32Å; N128-E130 PolarHBondContact O-N 3.44Å; N128-G131 PolarHBondContact O-N 3.36Å; N128-N133 WeakPolarHBondContact OD1-CB 3.31Å; N128-N133 PolarHBondContact OD1-ND2 3.4Å
129R90.2Very high85.4Confident75 Ų7538.4 Ų38.428%0.28322%0.22SC..Hα-helixtrans-65.8-34.8-178.6-69.9-75.4176.3-114.2-2.4112.4R20 E29 Y32 I125 A126R20-R129 PolarHBondContact O-NH1 3.41Å; E29-R129 IonicContact OE1-CZ 2.91Å; E29-R129 IonicContact OE1-NE 3.17Å; E29-R129 PolarHBondContact OE1-NE 2.87Å; E29-R129 VanDerWaalsContact OE1-NE 3.1Å; E29-R129 IonicContact OE1-NH2 3.04Å; E29-R129 PolarHBondContact OE1-NH2 2.99Å; Y32-R129 HydrophobicContact CD2-CB 4.36Å; Y32-R129 HydrophobicContact CD2-CG 4.36Å; Y32-R129 HydrophobicContact CE2-CB 4.12Å; Y32-R129 HydrophobicContact CG-CG 4.33Å; I125-R129 HydrophobicContact CG2-CG 4.24Å; I125-R129 WeakPolarHBondContact O-CB 3.45Å; I125-R129 VanDerWaalsContact O-CG 3.24Å; I125-R129 WeakPolarHBondContact O-CG 3.12Å; I125-R129 PolarHBondContact O-N 3.05Å; A126-R129 PolarHBondContact O-N 3.36Å
130E91.9Very high85Confident71 Ų7138.9 Ų38.933%0.33223%0.225SC..THydrogen-bonded Turntrans-96.92.3-177.7-63.9176.1-149.500113.5Y32 R36 L44 A126 N128 F132Y32-E130 WeakPolarHBondContact CE2-OE1 3.23Å; Y32-E130 PolarHBondContact OH-OE1 2.95Å; R36-E130 IonicContact CZ-OE1 2.81Å; R36-E130 IonicContact CZ-OE2 2.68Å; R36-E130 IonicContact NE-OE1 3.78Å; R36-E130 PolarHBondContact NE-OE1 3.49Å; R36-E130 IonicContact NH2-OE1 2.75Å; R36-E130 PolarHBondContact NH2-OE1 2.93Å; R36-E130 IonicContact NH2-OE2 3.17Å; R36-E130 PolarHBondContact NH2-OE2 3.43Å; L44-E130 WeakPolarHBondContact CD1-OE2 3.38Å; A126-E130 WeakPolarHBondContact O-CB 3.32Å; A126-E130 WeakPolarHBondContact O-CG 3.39Å; A126-E130 PolarHBondContact O-N 3.11Å; N128-E130 VanDerWaalsContact C-N 3.32Å; N128-E130 PolarHBondContact O-N 3.44Å; E130-F132 HydrophobicContact CB-CD2 3.82Å; E130-F132 HydrophobicContact CB-CE2 3.83Å; E130-F132 PolarHBondContact O-N 3.04Å
131G87.8Confident84.6Confident28 Ų2840.1 Ų40.129%0.28923%0.233SC..THydrogen-bonded Turntrans78.812.817100000115.5R127 N128 G134R127-G131 PolarHBondContact O-N 3.47Å; R127-G131 VanDerWaalsContact O-N 3.09Å; N128-G131 PolarHBondContact O-N 3.36Å; G131-G134 PolarHBondContact O-N 2.86Å
132F87.7Confident84Confident35 Ų3542.1 Ų42.115%0.15425%0.245CC..SBendtrans-63.8-44.3174.6-73.3-84.3000111.6L44 D45 V85 R127 E130 G134 R135L44-F132 HydrophobicContact CB-CD2 3.87Å; L44-F132 HydrophobicContact CB-CE2 3.79Å; L44-F132 HydrophobicContact CB-CG 4.34Å; L44-F132 HydrophobicContact CB-CZ 4.19Å; L44-F132 HydrophobicContact CD1-CD2 4.14Å; L44-F132 HydrophobicContact CD1-CE2 4.05Å; L44-F132 HydrophobicContact CG-CE2 4.46Å; D45-F132 HydrophobicContact CB-CD1 4.03Å; D45-F132 HydrophobicContact CB-CE1 3.77Å; V85-F132 HydrophobicContact CG1-CB 4.07Å; V85-F132 HydrophobicContact CG2-CD1 4.48Å; R127-F132 HydrophobicContact CB-CB 4.09Å; R127-F132 HydrophobicContact CG-CB 4.14Å; R127-F132 PolarHBondContact O-N 2.73Å; E130-F132 HydrophobicContact CB-CD2 3.82Å; E130-F132 HydrophobicContact CB-CE2 3.83Å; E130-F132 PolarHBondContact O-N 3.04Å; F132-G134 PolarHBondContact O-N 3.09Å; F132-R135 WeakPolarHBondContact O-CB 3.11Å; F132-R135 PolarHBondContact O-N 2.98Å
133N85.5Confident83.2Confident0 Ų044.8 Ų44.80%026%0.26CS..G310 helixtrans-72-15.1178.4-75.8-16.7000113.2C19 R82 E124 R127 N128 R135C19-N133 HydrophobicContact CB-CB 4.04Å; R82-N133 PolarHBondContact NH2-OD1 3.14Å; E124-N133 PolarHBondContact OE2-ND2 3.03Å; R127-N133 PolarHBondContact O-N 2.59Å; N128-N133 WeakPolarHBondContact OD1-CB 3.31Å; N128-N133 PolarHBondContact OD1-ND2 3.4Å; N133-R135 PolarHBondContact O-N 2.96Å
134G78.8Confident82.5Confident39 Ų3947.7 Ų47.740%0.40228%0.277SS..G310 helixtrans-67.8-21.1173.700000113.4G131 F132 I136G131-G134 PolarHBondContact O-N 2.86Å; F132-G134 PolarHBondContact O-N 3.09Å; G134-I136 VanDerWaalsContact C-N 3.32Å; G134-I136 PolarHBondContact O-N 3.39Å
135R70Confident81.7Confident156 Ų15651.1 Ų51.159%0.58930%0.297SS*.G310 helixtrans-74.5-21.1-178.2-60.2-177.1-174.5-178.52.9113.8F132 N133 R137 G138F132-R135 WeakPolarHBondContact O-CB 3.11Å; F132-R135 PolarHBondContact O-N 2.98Å; N133-R135 PolarHBondContact O-N 2.96Å; R135-R137 PolarHBondContact O-N 3.14Å; R135-G138 PolarHBondContact O-N 2.82Å
136I69.2Low80.7Confident41 Ų4154.8 Ų54.821%0.2132%0.319CS..G310 helixtrans-68.6-21.1179.6-60.3168.4000110.9M11 I14 V85 G134 G138M11-I136 HydrophobicContact CE-CG2 4.14Å; I14-I136 HydrophobicContact CD1-CD1 3.69Å; I14-I136 HydrophobicContact CG1-CD1 4.35Å; V85-I136 VanDerWaalsContact O-CD1 3.28Å; V85-I136 WeakPolarHBondContact O-CD1 3.37Å; V85-I136 WeakPolarHBondContact O-CG1 3.4Å; G134-I136 VanDerWaalsContact C-N 3.32Å; G134-I136 PolarHBondContact O-N 3.39Å; I136-G138 PolarHBondContact O-N 2.88Å
137R60.5Low79.6Confident133 Ų13359.4 Ų59.450%0.50235%0.345SS..G310 helixtrans-7825.5177.5-58.1-169.579.51649.2114S16 C17 D18 R135S16-R137 PolarHBondContact O-NH2 3.36Å; C17-R137 PolarHBondContact O-NH1 3.42Å; D18-R137 VanDerWaalsContact N-NH1 3.13Å; R135-R137 PolarHBondContact O-N 3.14Å
138G49.6Very low78.4Confident133 Ų13364.8 Ų64.8100%1.37138%0.377SS*.  trans-82.80172.600000111.5R135 I136R135-G138 PolarHBondContact O-N 2.82Å; I136-G138 PolarHBondContact O-N 2.88Å

Retrieved 138 of 138 residues in 68.9 ms (Link to these results)

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