A0A077Z4A5_TRITR Loading...

Predicted Bcl 2 protein

AlphaFold DB , UniProt , Accession A0A077Z4A5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M62.5Low78.9Confident189 Ų189107.5 Ų107.593%0.93158%0.582SS**  0-600-141153.176.200111.3A3 H4 E5M1-A3 PolarHBondContact O-N 3.35Å; M1-H4 PolarHBondContact O-N 3.05Å; M1-E5 PolarHBondContact O-N 3.35Å; M1-E5 VanDerWaalsContact O-N 3.14Å
2A70.4Confident79.7Confident72 Ų72102.6 Ų102.660%0.59557%0.568SS**Hα-helixtrans-53.5-40.4-179.900000115.9H4 E5 S6A2-H4 VanDerWaalsContact C-N 3.34Å; A2-H4 PolarHBondContact O-N 3.38Å; A2-E5 PolarHBondContact O-N 2.96Å; A2-S6 WeakPolarHBondContact O-CB 3.45Å; A2-S6 PolarHBondContact O-N 2.72Å
3A70.7Confident80.3Confident72 Ų72101.1 Ų101.160%0.59556%0.557SS**Hα-helixtrans-63.9-38.9177.300000112.5M1 S6 V7M1-A3 PolarHBondContact O-N 3.35Å; A3-S6 PolarHBondContact O-N 2.82Å; A3-S6 PolarHBondContact O-OG 3.35Å; A3-V7 WeakPolarHBondContact O-CG2 3.41Å; A3-V7 PolarHBondContact O-N 3.4Å; A3-V7 VanDerWaalsContact O-N 3.11Å
4H69.6Low80.7Confident153 Ų15398.7 Ų98.771%0.70855%0.552SS**Hα-helixtrans-71.7-37.1-180-159.9-79.8000111.6M1 A2 S6 V7 A8M1-H4 PolarHBondContact O-N 3.05Å; A2-H4 VanDerWaalsContact C-N 3.34Å; A2-H4 PolarHBondContact O-N 3.38Å; H4-S6 VanDerWaalsContact C-N 3.33Å; H4-V7 PolarHBondContact O-N 3.39Å; H4-A8 WeakPolarHBondContact O-CB 3.42Å; H4-A8 PolarHBondContact O-N 2.99Å
5E76.3Confident81Confident119 Ų119101.1 Ų101.156%0.55655%0.554SS**Hα-helixtrans-63.8-38.8171.5-71.2166.9177.700111.4M1 A2 V7 Y9M1-E5 PolarHBondContact O-N 3.35Å; M1-E5 VanDerWaalsContact O-N 3.14Å; A2-E5 PolarHBondContact O-N 2.96Å; E5-V7 PolarHBondContact O-N 3.36Å; E5-Y9 VanDerWaalsContact O-CB 3.31Å; E5-Y9 WeakPolarHBondContact O-CB 3.31Å; E5-Y9 PolarHBondContact O-N 3.33Å
6S83.6Confident81.5Confident55 Ų55100.9 Ų100.939%0.38555%0.552SS.*Hα-helixtrans-67.8-34178.279.80000113.5A2 A3 H4 K10A2-S6 WeakPolarHBondContact O-CB 3.45Å; A2-S6 PolarHBondContact O-N 2.72Å; A3-S6 PolarHBondContact O-N 2.82Å; A3-S6 PolarHBondContact O-OG 3.35Å; H4-S6 VanDerWaalsContact C-N 3.33Å; S6-K10 WeakPolarHBondContact O-CG 3.14Å; S6-K10 PolarHBondContact O-N 3.4Å
7V85Confident81.9Confident79 Ų7997.7 Ų97.748%0.47954%0.538SS..Hα-helixtrans-71.5-50.7175.6172.70000109.8A3 H4 E5 Y9 K10 D11A3-V7 WeakPolarHBondContact O-CG2 3.41Å; A3-V7 PolarHBondContact O-N 3.4Å; A3-V7 VanDerWaalsContact O-N 3.11Å; H4-V7 PolarHBondContact O-N 3.39Å; E5-V7 PolarHBondContact O-N 3.36Å; V7-Y9 PolarHBondContact O-N 3.26Å; V7-K10 PolarHBondContact O-N 3.44Å; V7-D11 PolarHBondContact O-N 2.96Å
8A87.1Confident82.1Confident51 Ų5198.3 Ų98.342%0.42153%0.53SS..Hα-helixtrans-57.4-38.2178.200000112.6H4 D11 A12H4-A8 WeakPolarHBondContact O-CB 3.42Å; H4-A8 PolarHBondContact O-N 2.99Å; A8-D11 PolarHBondContact O-N 2.98Å; A8-A12 WeakPolarHBondContact O-CB 3.24Å; A8-A12 PolarHBondContact O-N 3.34Å
9Y89.1Confident82.5Confident153 Ų15399.1 Ų99.160%0.653%0.53SS*.Hα-helixtrans-65.4-42.8175.2-178.8-102.3000112.7E5 V7 A12 L13E5-Y9 VanDerWaalsContact O-CB 3.31Å; E5-Y9 WeakPolarHBondContact O-CB 3.31Å; E5-Y9 PolarHBondContact O-N 3.33Å; V7-Y9 PolarHBondContact O-N 3.26Å; Y9-A12 PolarHBondContact O-N 3.29Å; Y9-L13 HydrophobicContact CD1-CD1 3.87Å; Y9-L13 HydrophobicContact CD1-CG 4.42Å; Y9-L13 HydrophobicContact CE1-CD1 3.27Å; Y9-L13 HydrophobicContact CE1-CG 4.03Å; Y9-L13 HydrophobicContact CE2-CD1 4.46Å; Y9-L13 HydrophobicContact CE2-CG 4.44Å; Y9-L13 WeakPolarHBondContact O-CG 3.21Å; Y9-L13 PolarHBondContact O-N 2.92Å
10K85.8Confident82.9Confident142 Ų14298 Ų9862%0.61753%0.531SS*.Hα-helixtrans-63.9-40.5175.9-75.4175.5179.9-177.40112.1S6 V7 L13 S14S6-K10 WeakPolarHBondContact O-CG 3.14Å; S6-K10 PolarHBondContact O-N 3.4Å; V7-K10 PolarHBondContact O-N 3.44Å; K10-L13 PolarHBondContact O-N 3.01Å; K10-S14 WeakPolarHBondContact O-CB 3.43Å; K10-S14 PolarHBondContact O-N 2.88Å; K10-S14 PolarHBondContact O-OG 3.11Å
11D88Confident83.3Confident97 Ų9793.4 Ų93.452%0.51951%0.506SS..Hα-helixtrans-66.7-39177.7-65.8-20.5000111.6V7 A8 S14 F15V7-D11 PolarHBondContact O-N 2.96Å; A8-D11 PolarHBondContact O-N 2.98Å; D11-S14 PolarHBondContact O-OG 3.02Å; D11-F15 WeakPolarHBondContact O-CB 3.46Å; D11-F15 PolarHBondContact O-N 2.82Å
12A88.7Confident84.7Confident49 Ų4985 Ų8541%0.40547%0.467SS..Hα-helixtrans-65-43.3174.100000112.1A8 Y9 F15 L16A8-A12 WeakPolarHBondContact O-CB 3.24Å; A8-A12 PolarHBondContact O-N 3.34Å; Y9-A12 PolarHBondContact O-N 3.29Å; A12-F15 PolarHBondContact O-N 3.25Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.27Å
13L87.3Confident85.6Confident83 Ų8387.6 Ų87.644%0.43547%0.466SS..Hα-helixtrans-64.9-41.9177.2-75.6-179.2000112.5Y9 K10 F15 L16 C17Y9-L13 HydrophobicContact CD1-CD1 3.87Å; Y9-L13 HydrophobicContact CD1-CG 4.42Å; Y9-L13 HydrophobicContact CE1-CD1 3.27Å; Y9-L13 HydrophobicContact CE1-CG 4.03Å; Y9-L13 HydrophobicContact CE2-CD1 4.46Å; Y9-L13 HydrophobicContact CE2-CG 4.44Å; Y9-L13 WeakPolarHBondContact O-CG 3.21Å; Y9-L13 PolarHBondContact O-N 2.92Å; K10-L13 PolarHBondContact O-N 3.01Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 3.27Å; L13-C17 WeakPolarHBondContact O-CB 3.46Å; L13-C17 PolarHBondContact O-N 3.05Å
14S85Confident86.6Confident68 Ų6884.5 Ų84.548%0.47644%0.441SS..Hα-helixtrans-65.5-39.3178.268.20000111.5K10 D11 C17 R18K10-S14 WeakPolarHBondContact O-CB 3.43Å; K10-S14 PolarHBondContact O-N 2.88Å; K10-S14 PolarHBondContact O-OG 3.11Å; D11-S14 PolarHBondContact O-OG 3.02Å; S14-C17 PolarHBondContact O-N 3.45Å; S14-R18 WeakPolarHBondContact O-CB 3.42Å; S14-R18 PolarHBondContact O-N 2.88Å
15F86.6Confident87.9Confident134 Ų13477.2 Ų77.259%0.58841%0.407SS*.Hα-helixtrans-60.9-49173.6179.7-94.8000112.2D11 A12 L13 C17 R18 Q19D11-F15 WeakPolarHBondContact O-CB 3.46Å; D11-F15 PolarHBondContact O-N 2.82Å; A12-F15 PolarHBondContact O-N 3.25Å; L13-F15 VanDerWaalsContact C-N 3.34Å; F15-C17 VanDerWaalsContact C-N 3.34Å; F15-C17 PolarHBondContact O-N 3.25Å; F15-R18 PolarHBondContact O-N 3.14Å; F15-Q19 PolarHBondContact O-N 3.4Å
16L88.6Confident88.7Confident99 Ų9976 Ų7652%0.51840%0.398SS..Hα-helixtrans-63.3-39.8178.3-70.7172.7000112.1A12 L13 Q19 S20A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.27Å; L13-L16 PolarHBondContact O-N 3.27Å; L16-Q19 PolarHBondContact O-N 3.26Å; L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 2.9Å
17C87.5Confident89.3Confident46 Ų4673.5 Ų73.531%0.31138%0.381SS..Hα-helixtrans-60.2-47.7174.6-174.20000110.9L13 S14 F15 Q19 S20 V21L13-C17 WeakPolarHBondContact O-CB 3.46Å; L13-C17 PolarHBondContact O-N 3.05Å; S14-C17 PolarHBondContact O-N 3.45Å; F15-C17 VanDerWaalsContact C-N 3.34Å; F15-C17 PolarHBondContact O-N 3.25Å; C17-Q19 VanDerWaalsContact C-N 3.33Å; C17-Q19 PolarHBondContact O-N 2.67Å; C17-S20 WeakPolarHBondContact O-CB 3.49Å; C17-S20 PolarHBondContact O-N 2.72Å; C17-V21 WeakPolarHBondContact O-CG2 3.4Å; C17-V21 PolarHBondContact O-N 3.08Å
18R86.5Confident89.8Confident108 Ų10869.8 Ų69.841%0.40836%0.358SS..Hα-helixtrans-61.7-40.4178.2-168.7176.3-179.3-169.5-3.3112.3S14 F15 V21 A22 S149 N150S14-R18 WeakPolarHBondContact O-CB 3.42Å; S14-R18 PolarHBondContact O-N 2.88Å; F15-R18 PolarHBondContact O-N 3.14Å; R18-V21 WeakPolarHBondContact O-CB 3.47Å; R18-V21 PolarHBondContact O-N 3.2Å; R18-A22 PolarHBondContact O-N 3Å; R18-S149 PolarHBondContact NE-OG 2.95Å; R18-N150 PolarHBondContact NE-OD1 3.22Å
19Q88.9Confident90.2Very high114 Ų11467.3 Ų67.353%0.53334%0.338SS..Hα-helixtrans-65.5-40.3175.8-169.4176.414.600112F15 L16 C17 V21 A22 H23F15-Q19 PolarHBondContact O-N 3.4Å; L16-Q19 PolarHBondContact O-N 3.26Å; C17-Q19 VanDerWaalsContact C-N 3.33Å; C17-Q19 PolarHBondContact O-N 2.67Å; Q19-V21 VanDerWaalsContact C-N 3.29Å; Q19-V21 PolarHBondContact O-N 3.3Å; Q19-A22 PolarHBondContact O-N 2.92Å; Q19-H23 PolarHBondContact O-N 3.04Å
20S90.5Very high90.6Very high77 Ų7760.1 Ų60.154%0.53831%0.31SS..Hα-helixtrans-62.9-37.6173.2-173.90000111.8L16 C17 G24L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 2.9Å; C17-S20 WeakPolarHBondContact O-CB 3.49Å; C17-S20 PolarHBondContact O-N 2.72Å; S20-G24 PolarHBondContact O-N 3.13Å
21V92.6Very high91.1Very high2 Ų253.7 Ų53.71%0.01228%0.282CS..Hα-helixtrans-65-47.9175.8167.30000111C17 R18 Q19 G24 A25 I152 W158C17-V21 WeakPolarHBondContact O-CG2 3.4Å; C17-V21 PolarHBondContact O-N 3.08Å; R18-V21 WeakPolarHBondContact O-CB 3.47Å; R18-V21 PolarHBondContact O-N 3.2Å; Q19-V21 VanDerWaalsContact C-N 3.29Å; Q19-V21 PolarHBondContact O-N 3.3Å; V21-G24 PolarHBondContact O-N 2.96Å; V21-A25 PolarHBondContact O-N 3.24Å; V21-I152 HydrophobicContact CB-CG2 4.21Å; V21-I152 HydrophobicContact CG1-CB 3.93Å; V21-I152 HydrophobicContact CG1-CD1 4.1Å; V21-I152 HydrophobicContact CG1-CG2 3.51Å; V21-I152 HydrophobicContact CG2-CB 4.46Å; V21-I152 HydrophobicContact CG2-CG2 3.57Å; V21-W158 PolarHBondContact O-NE1 3.09Å
22A90.2Very high91.5Very high13 Ų1349.1 Ų49.111%0.10726%0.258CS..Hα-helixtrans-57.9-49.3177.600000112R18 Q19 G24 A25 Y26 E145R18-A22 PolarHBondContact O-N 3Å; Q19-A22 PolarHBondContact O-N 2.92Å; A22-G24 VanDerWaalsContact C-N 3.32Å; A22-G24 PolarHBondContact O-N 3.48Å; A22-A25 WeakPolarHBondContact O-CB 3.24Å; A22-A25 PolarHBondContact O-N 3.32Å; A22-A25 VanDerWaalsContact O-N 3.1Å; A22-Y26 PolarHBondContact O-N 3.16Å; A22-E145 HydrophobicContact CB-CB 4.24Å; A22-E145 HydrophobicContact CB-CG 3.65Å
23H89.7Confident91.8Very high126 Ų12646.8 Ų46.858%0.58324%0.239SC*.Hα-helixtrans-60-43.2176.6-176.770.6000112Q19 A25 Y26 V27Q19-H23 PolarHBondContact O-N 3.04Å; H23-A25 VanDerWaalsContact C-N 3.32Å; H23-A25 PolarHBondContact O-N 3.31Å; H23-Y26 PolarHBondContact O-N 3.05Å; H23-V27 WeakPolarHBondContact O-CG2 3.37Å; H23-V27 PolarHBondContact O-N 3.27Å
24G93Very high92.2Very high6 Ų643.7 Ų43.76%0.06223%0.226CC..Hα-helixtrans-62.1-37.2174.900000113S20 V21 A22 Y26 V27 I28S20-G24 PolarHBondContact O-N 3.13Å; V21-G24 PolarHBondContact O-N 2.96Å; A22-G24 VanDerWaalsContact C-N 3.32Å; A22-G24 PolarHBondContact O-N 3.48Å; G24-Y26 PolarHBondContact O-N 3.22Å; G24-V27 PolarHBondContact O-N 3.26Å; G24-I28 WeakPolarHBondContact O-CB 3.31Å; G24-I28 VanDerWaalsContact O-CD1 3.24Å; G24-I28 WeakPolarHBondContact O-CD1 3.34Å; G24-I28 WeakPolarHBondContact O-CG1 3.44Å; G24-I28 PolarHBondContact O-N 2.79Å
25A95.4Very high92.7Very high0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-59.9-45.1-179.400000112.4V21 A22 H23 S29 Y114 T144 W158V21-A25 PolarHBondContact O-N 3.24Å; A22-A25 WeakPolarHBondContact O-CB 3.24Å; A22-A25 PolarHBondContact O-N 3.32Å; A22-A25 VanDerWaalsContact O-N 3.1Å; H23-A25 VanDerWaalsContact C-N 3.32Å; H23-A25 PolarHBondContact O-N 3.31Å; A25-S29 VanDerWaalsContact O-CB 3.27Å; A25-S29 WeakPolarHBondContact O-CB 3.37Å; A25-S29 PolarHBondContact O-N 3.4Å; A25-Y114 PolarHBondContact O-OH 2.99Å; A25-T144 HydrophobicContact CB-CG2 3.62Å; A25-W158 HydrophobicContact CB-CZ2 4.01Å
26Y94.1Very high92.9Very high93 Ų9337.6 Ų37.637%0.36519%0.19SC..Hα-helixtrans-62.4-51.7176.1-177.9-103.6000111.9A22 H23 G24 I28 S29 C30 D138 A141A22-Y26 PolarHBondContact O-N 3.16Å; H23-Y26 PolarHBondContact O-N 3.05Å; G24-Y26 PolarHBondContact O-N 3.22Å; Y26-I28 PolarHBondContact O-N 3.29Å; Y26-S29 WeakPolarHBondContact O-CB 3.35Å; Y26-S29 PolarHBondContact O-N 3.28Å; Y26-S29 VanDerWaalsContact O-N 3.11Å; Y26-C30 PolarHBondContact O-N 3.49Å; Y26-C30 VanDerWaalsContact O-N 3.08Å; Y26-C30 PolarHBondContact O-SG 2.95Å; Y26-D138 WeakPolarHBondContact CE2-OD1 3.41Å; Y26-A141 HydrophobicContact CD2-CB 3.99Å
27V94.8Very high93.2Very high4 Ų432.9 Ų32.92%0.02417%0.166CC..Hα-helixtrans-59.1-46.1-179.7174.70000111.4H23 G24 S29 D31 P51H23-V27 WeakPolarHBondContact O-CG2 3.37Å; H23-V27 PolarHBondContact O-N 3.27Å; G24-V27 PolarHBondContact O-N 3.26Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 3.2Å; V27-D31 WeakPolarHBondContact O-CB 3.46Å; V27-D31 PolarHBondContact O-N 2.88Å; V27-P51 HydrophobicContact CG1-CG 3.96Å; V27-P51 HydrophobicContact CG2-CG 3.82Å
28I96.4Very high93.5Very high0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-66.1-34.1179.7-62.3159.6000110.8G24 Y26 Y32 T56 A57 M60 Y114 W158G24-I28 WeakPolarHBondContact O-CB 3.31Å; G24-I28 VanDerWaalsContact O-CD1 3.24Å; G24-I28 WeakPolarHBondContact O-CD1 3.34Å; G24-I28 WeakPolarHBondContact O-CG1 3.44Å; G24-I28 PolarHBondContact O-N 2.79Å; Y26-I28 PolarHBondContact O-N 3.29Å; I28-Y32 WeakPolarHBondContact O-CB 3.35Å; I28-Y32 PolarHBondContact O-N 3.35Å; I28-T56 HydrophobicContact CD1-CG2 3.46Å; I28-T56 VanDerWaalsContact CD1-CG2 3.46Å; I28-T56 HydrophobicContact CG1-CG2 4.29Å; I28-A57 HydrophobicContact CG1-CB 4.49Å; I28-M60 HydrophobicContact CG2-CB 3.79Å; I28-M60 HydrophobicContact CG2-CE 4.18Å; I28-M60 HydrophobicContact CG2-CG 3.75Å; I28-Y114 HydrophobicContact CB-CE1 3.99Å; I28-Y114 HydrophobicContact CG2-CD1 4.01Å; I28-Y114 HydrophobicContact CG2-CE1 3.51Å; I28-W158 HydrophobicContact CD1-CD2 3.59Å; I28-W158 HydrophobicContact CD1-CE3 3.62Å; I28-W158 HydrophobicContact CD1-CG 4.28Å; I28-W158 HydrophobicContact CD1-CH2 3.74Å; I28-W158 HydrophobicContact CD1-CZ2 3.72Å; I28-W158 HydrophobicContact CD1-CZ3 3.68Å
29S96.6Very high93.8Very high0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-65.7-54.5-179.2-176.80000110.8A25 Y26 V27 D31 Y32 I33 A137 V140A25-S29 VanDerWaalsContact O-CB 3.27Å; A25-S29 WeakPolarHBondContact O-CB 3.37Å; A25-S29 PolarHBondContact O-N 3.4Å; Y26-S29 WeakPolarHBondContact O-CB 3.35Å; Y26-S29 PolarHBondContact O-N 3.28Å; Y26-S29 VanDerWaalsContact O-N 3.11Å; V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 3.2Å; S29-D31 VanDerWaalsContact C-N 3.34Å; S29-D31 PolarHBondContact O-N 3.01Å; S29-Y32 PolarHBondContact O-N 3.13Å; S29-I33 WeakPolarHBondContact O-CB 2.91Å; S29-I33 WeakPolarHBondContact O-CG1 3.43Å; S29-I33 PolarHBondContact O-N 2.71Å; S29-A137 WeakPolarHBondContact OG-CA 3.45Å; S29-A137 PolarHBondContact OG-O 3.16Å; S29-V140 WeakPolarHBondContact OG-CB 3.39Å
30C96.2Very high93.9Very high1 Ų130.2 Ų30.21%0.00717%0.172CC..Hα-helixtrans-61.8-43.1176.8-60.70000111.4Y26 Y32 G34 W44 P48 L50Y26-C30 PolarHBondContact O-N 3.49Å; Y26-C30 VanDerWaalsContact O-N 3.08Å; Y26-C30 PolarHBondContact O-SG 2.95Å; C30-Y32 PolarHBondContact O-N 2.97Å; C30-G34 PolarHBondContact O-N 3.16Å; C30-W44 HydrophobicContact CB-CH2 4.04Å; C30-W44 HydrophobicContact CB-CZ3 4.12Å; C30-W44 WeakPolarHBondContact O-CZ3 2.87Å; C30-P48 HydrophobicContact CB-CG 3.98Å; C30-L50 HydrophobicContact CB-CD1 3.73Å; C30-L50 HydrophobicContact CB-CD2 3.66Å; C30-L50 HydrophobicContact CB-CG 4.21Å
31D96.4Very high94.1Very high7 Ų729.8 Ų29.84%0.03718%0.18CC..Hα-helixtrans-60-49.3179-178.587.1000112.1V27 S29 H35 L50 V53 A57 R61V27-D31 WeakPolarHBondContact O-CB 3.46Å; V27-D31 PolarHBondContact O-N 2.88Å; S29-D31 VanDerWaalsContact C-N 3.34Å; S29-D31 PolarHBondContact O-N 3.01Å; D31-H35 VanDerWaalsContact O-CB 3.29Å; D31-H35 WeakPolarHBondContact O-CB 3.27Å; D31-H35 PolarHBondContact O-N 3.49Å; D31-L50 HydrophobicContact CB-CD1 4.02Å; D31-V53 WeakPolarHBondContact OD1-CG2 3.31Å; D31-A57 HydrophobicContact CB-CB 4.14Å; D31-A57 WeakPolarHBondContact OD2-CB 3.47Å; D31-R61 IonicContact OD1-CZ 3.89Å; D31-R61 IonicContact OD1-NE 2.67Å; D31-R61 IonicContact OD1-NH2 3.79Å; D31-R61 PolarHBondContact OD1-NH2 3.44Å; D31-R61 IonicContact OD2-CZ 3.74Å; D31-R61 IonicContact OD2-NE 3.35Å; D31-R61 PolarHBondContact OD2-NE 2.94Å; D31-R61 IonicContact OD2-NH2 2.72Å; D31-R61 PolarHBondContact OD2-NH2 3.37Å; D31-R61 VanDerWaalsContact OD2-NH2 3.13Å
32Y96Very high94.2Very high1 Ų133.1 Ų33.10%0.00420%0.195CC..Hα-helixtrans-65.1-48-178.6-173.6-90.5000111.4I28 S29 C30 H35 R36 M60 R61 G64 E68 Y114 S115I28-Y32 WeakPolarHBondContact O-CB 3.35Å; I28-Y32 PolarHBondContact O-N 3.35Å; S29-Y32 PolarHBondContact O-N 3.13Å; C30-Y32 PolarHBondContact O-N 2.97Å; Y32-H35 PolarHBondContact O-N 2.96Å; Y32-R36 HydrophobicContact CD1-CG 3.88Å; Y32-R36 HydrophobicContact CE1-CG 3.54Å; Y32-R36 WeakPolarHBondContact O-CB 3.39Å; Y32-R36 WeakPolarHBondContact O-CG 3.36Å; Y32-R36 PolarHBondContact O-N 2.82Å; Y32-M60 HydrophobicContact CD2-CB 4.45Å; Y32-M60 HydrophobicContact CD2-CG 3.76Å; Y32-M60 HydrophobicContact CE2-CG 4.31Å; Y32-M60 WeakPolarHBondContact CE2-O 3.4Å; Y32-M60 HydrophobicContact CG-CG 4.38Å; Y32-R61 HydrophobicContact CD2-CG 4.38Å; Y32-G64 WeakPolarHBondContact OH-CA 3.31Å; Y32-E68 PolarHBondContact OH-OE1 3.12Å; Y32-Y114 WeakPolarHBondContact CD1-O 3.47Å; Y32-Y114 WeakPolarHBondContact CE1-O 2.95Å; Y32-S115 PolarHBondContact OH-OG 3.4Å
33I95.5Very high94.3Very high1 Ų138.9 Ų38.91%0.00522%0.223CC..Hα-helixtrans-63.9-44.8180-71.3168.2000110.8S29 H35 R36 L37 W44 A121 V133 I136 A137S29-I33 WeakPolarHBondContact O-CB 2.91Å; S29-I33 WeakPolarHBondContact O-CG1 3.43Å; S29-I33 PolarHBondContact O-N 2.71Å; I33-H35 PolarHBondContact O-N 3.18Å; I33-R36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 4.15Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.22Å; I33-W44 HydrophobicContact CB-CZ3 4.3Å; I33-W44 HydrophobicContact CG2-CE3 4.32Å; I33-W44 HydrophobicContact CG2-CZ3 4.08Å; I33-A121 HydrophobicContact CG2-CB 3.7Å; I33-V133 HydrophobicContact CG2-CG1 3.65Å; I33-I136 HydrophobicContact CD1-CG2 4.16Å; I33-A137 VanDerWaalsContact CD1-CA 3.5Å; I33-A137 HydrophobicContact CD1-CB 3.73Å
34G95.6Very high94.6Very high17 Ų1733.9 Ų33.918%0.17520%0.199CC..Hα-helixtrans-60.7-43.8176.400000112.5C30 R36 L37 A38C30-G34 PolarHBondContact O-N 3.16Å; G34-R36 VanDerWaalsContact C-N 3.34Å; G34-R36 PolarHBondContact O-N 2.64Å; G34-L37 PolarHBondContact O-N 3.04Å; G34-A38 WeakPolarHBondContact O-CB 3.33Å; G34-A38 PolarHBondContact O-N 3.22Å
35H94.6Very high94.4Very high36 Ų3639.4 Ų39.417%0.16723%0.227CC..Hα-helixtrans-59.1-44.5174.2177.774.6000112.1D31 Y32 I33 A38 Q39 R61 E65D31-H35 VanDerWaalsContact O-CB 3.29Å; D31-H35 WeakPolarHBondContact O-CB 3.27Å; D31-H35 PolarHBondContact O-N 3.49Å; Y32-H35 PolarHBondContact O-N 2.96Å; I33-H35 PolarHBondContact O-N 3.18Å; H35-A38 PolarHBondContact O-N 3.5Å; H35-Q39 PolarHBondContact NE2-NE2 2.99Å; H35-Q39 PolarHBondContact NE2-OE1 3.23Å; H35-Q39 WeakPolarHBondContact O-CG 3.32Å; H35-Q39 PolarHBondContact O-N 3.43Å; H35-R61 HydrophobicContact CB-CG 4.24Å; H35-R61 PolarHBondContact ND1-NH1 3.12Å; H35-E65 IonicContact CD2-OE1 2.79Å; H35-E65 IonicContact CE1-OE1 3.66Å; H35-E65 IonicContact NE2-OE1 3.13Å; H35-E65 PolarHBondContact NE2-OE1 3.16Å
36R92.6Very high94.1Very high38 Ų3845 Ų4514%0.14326%0.257CS..Hα-helixtrans-65.6-43.3-179-71.2-80.1-69.7147.93.4112.6Y32 I33 G34 Q39 A40 E68Y32-R36 HydrophobicContact CD1-CG 3.88Å; Y32-R36 HydrophobicContact CE1-CG 3.54Å; Y32-R36 WeakPolarHBondContact O-CB 3.39Å; Y32-R36 WeakPolarHBondContact O-CG 3.36Å; Y32-R36 PolarHBondContact O-N 2.82Å; I33-R36 PolarHBondContact O-N 3.19Å; G34-R36 VanDerWaalsContact C-N 3.34Å; G34-R36 PolarHBondContact O-N 2.64Å; R36-Q39 PolarHBondContact O-N 3.11Å; R36-A40 PolarHBondContact O-N 2.99Å; R36-E68 WeakPolarHBondContact CD-OE2 3.31Å; R36-E68 IonicContact CZ-OE1 3.12Å; R36-E68 IonicContact CZ-OE2 3.33Å; R36-E68 IonicContact NE-OE1 2.86Å; R36-E68 PolarHBondContact NE-OE1 3.14Å; R36-E68 IonicContact NE-OE2 2.66Å; R36-E68 PolarHBondContact NE-OE2 3.33Å; R36-E68 VanDerWaalsContact NE-OE2 3.12Å; R36-E68 VanDerWaalsContact NH1-CD 3.3Å; R36-E68 IonicContact NH1-OE1 2.64Å; R36-E68 IonicContact NH1-OE2 3.13Å; R36-E68 PolarHBondContact NH1-OE2 2.94Å; R36-E68 VanDerWaalsContact NH2-CD 3.26Å; R36-E68 IonicContact NH2-OE1 3.78Å; R36-E68 PolarHBondContact NH2-OE1 3.03Å; R36-E68 VanDerWaalsContact NH2-OE1 3.13Å; R36-E68 IonicContact NH2-OE2 3.61Å; R36-E68 PolarHBondContact NH2-OE2 3.2Å
37L93.9Very high93.9Very high1 Ų143.2 Ų43.21%0.00526%0.258CS..Hα-helixtrans-62.7-44.5174-70176.8000111.2I33 G34 Q39 A40 G41 F42 W44 L122 V125 V133I33-L37 HydrophobicContact CG2-CD1 4.15Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.22Å; G34-L37 PolarHBondContact O-N 3.04Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-Q39 PolarHBondContact O-N 3.32Å; L37-A40 CarbonylContact O-C 3.41Å; L37-A40 WeakPolarHBondContact O-CA 3.29Å; L37-A40 PolarHBondContact O-N 2.97Å; L37-G41 PolarHBondContact O-N 3.06Å; L37-G41 VanDerWaalsContact O-N 3.09Å; L37-F42 CarbonylContact C-O 3.29Å; L37-F42 HydrophobicContact CB-CB 4.27Å; L37-F42 HydrophobicContact CD2-CB 4.38Å; L37-F42 PolarHBondContact O-N 3.4Å; L37-W44 HydrophobicContact CD1-CB 3.99Å; L37-W44 HydrophobicContact CD1-CG 4.35Å; L37-L122 HydrophobicContact CD2-CB 4.28Å; L37-L122 HydrophobicContact CD2-CD1 4.2Å; L37-V125 HydrophobicContact CD1-CG2 4.46Å; L37-V125 HydrophobicContact CD2-CB 4.42Å; L37-V125 HydrophobicContact CD2-CG2 3.92Å; L37-V133 HydrophobicContact CD1-CB 4.47Å; L37-V133 HydrophobicContact CD1-CG1 3.61Å; L37-V133 HydrophobicContact CD1-CG2 3.97Å
38A94.9Very high93.6Very high66 Ų6644.7 Ų44.755%0.54527%0.267SS..Hα-helixtrans-61.7-40177.400000112.4G34 H35 A40 G41G34-A38 WeakPolarHBondContact O-CB 3.33Å; G34-A38 PolarHBondContact O-N 3.22Å; H35-A38 PolarHBondContact O-N 3.5Å; A38-A40 PolarHBondContact O-N 3.45Å; A38-G41 PolarHBondContact O-N 3.45Å
39Q93Very high93.2Very high100 Ų10053 Ų5347%0.46731%0.31SS..Hα-helixtrans-61.7-31.4173.9-77.6-176.3-40.900113H35 R36 L37 G41 E65H35-Q39 PolarHBondContact NE2-NE2 2.99Å; H35-Q39 PolarHBondContact NE2-OE1 3.23Å; H35-Q39 WeakPolarHBondContact O-CG 3.32Å; H35-Q39 PolarHBondContact O-N 3.43Å; R36-Q39 PolarHBondContact O-N 3.11Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-Q39 PolarHBondContact O-N 3.32Å; Q39-G41 VanDerWaalsContact C-N 3.33Å; Q39-E65 PolarHBondContact NE2-OE1 3.45Å
40A90.6Very high92.7Very high45 Ų4555.1 Ų55.137%0.37232%0.321SS..THydrogen-bonded Turntrans-86.8-0.5175.300000113.6R36 L37 A38 F42 L122R36-A40 PolarHBondContact O-N 2.99Å; L37-A40 CarbonylContact O-C 3.41Å; L37-A40 WeakPolarHBondContact O-CA 3.29Å; L37-A40 PolarHBondContact O-N 2.97Å; A38-A40 PolarHBondContact O-N 3.45Å; A40-F42 HydrophobicContact CB-CD2 3.85Å; A40-F42 HydrophobicContact CB-CE2 4.25Å; A40-L122 HydrophobicContact CB-CD1 3.5Å; A40-L122 VanDerWaalsContact CB-CD1 3.5Å; A40-L122 HydrophobicContact CB-CD2 4.17Å
41G94.4Very high92.1Very high68 Ų6858.5 Ų58.570%0.70134%0.343SS*.THydrogen-bonded Turntrans84.115.5178.800000114.9L37 A38 Q39L37-G41 PolarHBondContact O-N 3.06Å; L37-G41 VanDerWaalsContact O-N 3.09Å; A38-G41 PolarHBondContact O-N 3.45Å; Q39-G41 VanDerWaalsContact C-N 3.33Å
42F94Very high91.3Very high73 Ų7366.9 Ų66.932%0.3238%0.382SS..  trans-100.8143.3176.9-66.1-76.6000111.9L37 A40 L122 V125 E126L37-F42 CarbonylContact C-O 3.29Å; L37-F42 HydrophobicContact CB-CB 4.27Å; L37-F42 HydrophobicContact CD2-CB 4.38Å; L37-F42 PolarHBondContact O-N 3.4Å; A40-F42 HydrophobicContact CB-CD2 3.85Å; A40-F42 HydrophobicContact CB-CE2 4.25Å; F42-L122 HydrophobicContact CD2-CD1 3.58Å; F42-L122 HydrophobicContact CE2-CD1 3.62Å; F42-V125 HydrophobicContact CB-CG1 4.04Å; F42-V125 HydrophobicContact CD1-CG1 3.31Å; F42-V125 HydrophobicContact CD2-CG1 4.35Å; F42-V125 HydrophobicContact CE1-CG1 3.75Å; F42-V125 HydrophobicContact CG-CG1 3.65Å; F42-V125 HydrophobicContact CZ-CG1 4.43Å; F42-E126 HydrophobicContact CE2-CG 3.96Å; F42-E126 HydrophobicContact CZ-CG 3.86Å
43L93.3Very high90.4Very high134 Ų13469.8 Ų69.870%0.70240%0.399SS*.  trans-93136.7171.1-177.563.3000109.3D45L43-D45 VanDerWaalsContact CD2-OD1 3.31Å; L43-D45 WeakPolarHBondContact CD2-OD1 3.43Å
44W94.4Very high90Very high20 Ų2072.5 Ų72.58%0.07641%0.414CS..  trans-96.598.7168.5-1787.5000108.8C30 I33 L37 D46 C47 V133 S134 A137C30-W44 HydrophobicContact CB-CH2 4.04Å; C30-W44 HydrophobicContact CB-CZ3 4.12Å; C30-W44 WeakPolarHBondContact O-CZ3 2.87Å; I33-W44 HydrophobicContact CB-CZ3 4.3Å; I33-W44 HydrophobicContact CG2-CE3 4.32Å; I33-W44 HydrophobicContact CG2-CZ3 4.08Å; L37-W44 HydrophobicContact CD1-CB 3.99Å; L37-W44 HydrophobicContact CD1-CG 4.35Å; W44-D46 PolarHBondContact O-N 3.2Å; W44-C47 HydrophobicContact CB-CB 4.02Å; W44-C47 HydrophobicContact CD2-CB 3.79Å; W44-C47 HydrophobicContact CE3-CB 4.04Å; W44-C47 HydrophobicContact CG-CB 3.8Å; W44-C47 WeakPolarHBondContact O-CB 3.32Å; W44-C47 PolarHBondContact O-N 3.12Å; W44-V133 HydrophobicContact CD2-CG1 3.5Å; W44-V133 VanDerWaalsContact CE2-CG1 3.4Å; W44-V133 HydrophobicContact CE3-CG1 4Å; W44-V133 HydrophobicContact CG-CG1 3.83Å; W44-V133 HydrophobicContact CH2-CG1 4.29Å; W44-V133 HydrophobicContact CZ2-CG1 3.85Å; W44-V133 HydrophobicContact CZ3-CG1 4.35Å; W44-S134 PolarHBondContact NE1-OG 2.97Å; W44-A137 HydrophobicContact CH2-CB 3.7Å; W44-A137 HydrophobicContact CZ2-CB 4.26Å
45D89.8Confident89.9Confident123 Ų12377 Ų7766%0.65843%0.429SS*.THydrogen-bonded Turntrans-62.9-41.2-172.5-65.3-35.2000113L43 C47L43-D45 VanDerWaalsContact CD2-OD1 3.31Å; L43-D45 WeakPolarHBondContact CD2-OD1 3.43Å; D45-C47 VanDerWaalsContact C-N 3.29Å; D45-C47 PolarHBondContact O-N 3.42Å
46D89.7Confident90Very high116 Ų11675.8 Ų75.862%0.6242%0.424SS*.THydrogen-bonded Turntrans-91.923.9177.7-62.8-43.8000113.1W44W44-D46 PolarHBondContact O-N 3.2Å
47C89.2Confident90.1Very high57 Ų5774 Ų7439%0.38542%0.417SS..  trans-60.3124.1179.7-175.10000110.3W44 D45W44-C47 HydrophobicContact CB-CB 4.02Å; W44-C47 HydrophobicContact CD2-CB 3.79Å; W44-C47 HydrophobicContact CE3-CB 4.04Å; W44-C47 HydrophobicContact CG-CB 3.8Å; W44-C47 WeakPolarHBondContact O-CB 3.32Å; W44-C47 PolarHBondContact O-N 3.12Å; D45-C47 VanDerWaalsContact C-N 3.29Å; D45-C47 PolarHBondContact O-N 3.42Å
48P89.6Confident90.2Very high35 Ų3578.4 Ų78.423%0.22744%0.44CS..  trans-64.7149.9179.126.4-33.5000110.8C30 L50C30-P48 HydrophobicContact CB-CG 3.98Å; P48-L50 HydrophobicContact CB-CD2 4.47Å; P48-L50 HydrophobicContact CG-CD2 3.97Å; P48-L50 PolarHBondContact O-N 3.38Å
49I87.7Confident90.2Very high174 Ų17475.5 Ų75.589%0.89242%0.416SS*.  trans-68.2103.7170.4-58.1174.3000107.4
50L86.3Confident90.4Very high44 Ų4470.7 Ų70.723%0.2339%0.394CS..PPolyproline II helixtrans-82.2149.6177.4-61.9-179.5000110.8C30 D31 P48C30-L50 HydrophobicContact CB-CD1 3.73Å; C30-L50 HydrophobicContact CB-CD2 3.66Å; C30-L50 HydrophobicContact CB-CG 4.21Å; D31-L50 HydrophobicContact CB-CD1 4.02Å; P48-L50 HydrophobicContact CB-CD2 4.47Å; P48-L50 HydrophobicContact CG-CD2 3.97Å; P48-L50 PolarHBondContact O-N 3.38Å
51P82.8Confident90.7Very high72 Ų7271 Ų7147%0.46839%0.385SS..PPolyproline II helixtrans-59.1167.4164.228.8-34.6000110.3V27 V53V27-P51 HydrophobicContact CG1-CG 3.96Å; V27-P51 HydrophobicContact CG2-CG 3.82Å; P51-V53 PolarHBondContact O-N 2.82Å
52E79Confident90.6Very high184 Ų18469 Ų6986%0.8636%0.361SS*.SBendtrans-49.6131.7176.2-171.3177.9178.700110.9N54E52-N54 PolarHBondContact O-N 3.18Å
53V77Confident90.5Very high61 Ų6165.5 Ų65.537%0.3735%0.346SS..  trans-55.3113.7-175.8-1790000109.3D31 P51 A57 L58D31-V53 WeakPolarHBondContact OD1-CG2 3.31Å; P51-V53 PolarHBondContact O-N 2.82Å; V53-A57 HydrophobicContact CG1-CB 3.94Å; V53-L58 HydrophobicContact CG1-CD2 3.77Å; V53-L58 HydrophobicContact CG1-CG 3.91Å
54N87.4Confident90.4Very high58 Ų5859.1 Ų59.131%0.3131%0.313SS..  trans-82.7166.3-178.169.531.2000111.8E52 T56 A57 L58E52-N54 PolarHBondContact O-N 3.18Å; N54-T56 PolarHBondContact O-N 2.94Å; N54-T56 WeakPolarHBondContact OD1-CB 3.49Å; N54-T56 PolarHBondContact OD1-N 2.94Å; N54-T56 VanDerWaalsContact OD1-N 3.16Å; N54-A57 WeakPolarHBondContact O-CB 3.43Å; N54-A57 PolarHBondContact O-N 3.44Å; N54-A57 WeakPolarHBondContact OD1-CB 3.36Å; N54-A57 PolarHBondContact OD1-N 3.08Å; N54-L58 PolarHBondContact O-N 3.47Å
55K93.8Very high90.1Very high111 Ų11161 Ų6148%0.48332%0.322SS..Hα-helixtrans-57.5-35.4-179.9-172.4175.6177.5-167.50112.5L58 C59 I162 E166K55-L58 PolarHBondContact O-N 3.35Å; K55-C59 PolarHBondContact O-N 3.47Å; K55-C59 PolarHBondContact O-SG 2.93Å; K55-I162 HydrophobicContact CB-CD1 4.08Å; K55-I162 HydrophobicContact CD-CD1 4.15Å; K55-I162 HydrophobicContact CD-CG2 4Å; K55-I162 VanDerWaalsContact CE-CG2 3.48Å; K55-I162 HydrophobicContact CG-CD1 4.06Å; K55-I162 HydrophobicContact CG-CG1 4.43Å; K55-I162 HydrophobicContact CG-CG2 4.39Å; K55-E166 WeakPolarHBondContact CE-OE1 3.35Å; K55-E166 IonicContact NZ-OE1 2.96Å; K55-E166 PolarHBondContact NZ-OE1 3.49Å
56T95.9Very high89.9Confident11 Ų1159.7 Ų59.77%0.06732%0.315CS..Hα-helixtrans-63.1-45179.1-44.90000111.6I28 N54 C59 M60 W158 F161I28-T56 HydrophobicContact CD1-CG2 3.46Å; I28-T56 VanDerWaalsContact CD1-CG2 3.46Å; I28-T56 HydrophobicContact CG1-CG2 4.29Å; N54-T56 PolarHBondContact O-N 2.94Å; N54-T56 WeakPolarHBondContact OD1-CB 3.49Å; N54-T56 PolarHBondContact OD1-N 2.94Å; N54-T56 VanDerWaalsContact OD1-N 3.16Å; T56-C59 WeakPolarHBondContact O-CB 3.26Å; T56-C59 PolarHBondContact O-N 2.87Å; T56-M60 PolarHBondContact O-N 2.91Å; T56-W158 HydrophobicContact CG2-CB 3.8Å; T56-W158 HydrophobicContact CG2-CD2 3.94Å; T56-W158 HydrophobicContact CG2-CE3 3.57Å; T56-W158 HydrophobicContact CG2-CG 4.07Å; T56-W158 HydrophobicContact CG2-CZ3 4.41Å; T56-F161 HydrophobicContact CG2-CD1 3.84Å
57A96Very high89.6Confident0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-61.2-45.4177.900000111.3I28 D31 V53 N54 C59 M60 R61I28-A57 HydrophobicContact CG1-CB 4.49Å; D31-A57 HydrophobicContact CB-CB 4.14Å; D31-A57 WeakPolarHBondContact OD2-CB 3.47Å; V53-A57 HydrophobicContact CG1-CB 3.94Å; N54-A57 WeakPolarHBondContact O-CB 3.43Å; N54-A57 PolarHBondContact O-N 3.44Å; N54-A57 WeakPolarHBondContact OD1-CB 3.36Å; N54-A57 PolarHBondContact OD1-N 3.08Å; A57-C59 VanDerWaalsContact C-N 3.34Å; A57-C59 PolarHBondContact O-N 3.15Å; A57-M60 PolarHBondContact O-N 3.43Å; A57-M60 VanDerWaalsContact O-N 3.15Å; A57-R61 WeakPolarHBondContact O-CG 3.49Å; A57-R61 PolarHBondContact O-N 3.22Å
58L95.7Very high89.2Confident94 Ų9452.3 Ų52.349%0.49227%0.271SS..Hα-helixtrans-60.3-41173.5-63.6176.7000112.7V53 N54 K55 M60 R61 A62V53-L58 HydrophobicContact CG1-CD2 3.77Å; V53-L58 HydrophobicContact CG1-CG 3.91Å; N54-L58 PolarHBondContact O-N 3.47Å; K55-L58 PolarHBondContact O-N 3.35Å; L58-M60 VanDerWaalsContact C-N 3.34Å; L58-R61 PolarHBondContact O-N 2.96Å; L58-A62 PolarHBondContact O-N 3.12Å; L58-A62 VanDerWaalsContact O-N 3.08Å
59C95.7Very high88.8Confident5 Ų556.2 Ų56.23%0.03429%0.29CS..Hα-helixtrans-65.2-39.1175.8-65.70000111.5K55 T56 A57 A62 M63 F161 Y165K55-C59 PolarHBondContact O-N 3.47Å; K55-C59 PolarHBondContact O-SG 2.93Å; T56-C59 WeakPolarHBondContact O-CB 3.26Å; T56-C59 PolarHBondContact O-N 2.87Å; A57-C59 VanDerWaalsContact C-N 3.34Å; A57-C59 PolarHBondContact O-N 3.15Å; C59-A62 PolarHBondContact O-N 2.9Å; C59-M63 WeakPolarHBondContact O-CB 3.48Å; C59-M63 VanDerWaalsContact O-CG 3.24Å; C59-M63 WeakPolarHBondContact O-CG 3.33Å; C59-M63 PolarHBondContact O-N 3.3Å; C59-F161 HydrophobicContact CB-CD1 4.39Å; C59-F161 HydrophobicContact CB-CE1 3.95Å; C59-Y165 HydrophobicContact CB-CD1 4.13Å; C59-Y165 HydrophobicContact CB-CD2 4.41Å; C59-Y165 HydrophobicContact CB-CG 3.95Å; C59-Y165 WeakPolarHBondContact SG-CD1 3.23Å
60M96.8Very high87.9Confident0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-64.4-45.4177.1-172.262.476.800111I28 Y32 T56 A57 L58 A62 M63 G64 L110 V111 Y114 W158 F161I28-M60 HydrophobicContact CG2-CB 3.79Å; I28-M60 HydrophobicContact CG2-CE 4.18Å; I28-M60 HydrophobicContact CG2-CG 3.75Å; Y32-M60 HydrophobicContact CD2-CB 4.45Å; Y32-M60 HydrophobicContact CD2-CG 3.76Å; Y32-M60 HydrophobicContact CE2-CG 4.31Å; Y32-M60 WeakPolarHBondContact CE2-O 3.4Å; Y32-M60 HydrophobicContact CG-CG 4.38Å; T56-M60 PolarHBondContact O-N 2.91Å; A57-M60 PolarHBondContact O-N 3.43Å; A57-M60 VanDerWaalsContact O-N 3.15Å; L58-M60 VanDerWaalsContact C-N 3.34Å; M60-A62 PolarHBondContact O-N 2.86Å; M60-M63 PolarHBondContact O-N 3.3Å; M60-G64 PolarHBondContact O-N 3.37Å; M60-L110 HydrophobicContact CE-CD2 4.36Å; M60-L110 HydrophobicContact CE-CG 4.4Å; M60-V111 HydrophobicContact SD-CB 4.42Å; M60-V111 HydrophobicContact SD-CG2 4.02Å; M60-Y114 HydrophobicContact CE-CD2 3.58Å; M60-Y114 HydrophobicContact CE-CE2 3.77Å; M60-Y114 HydrophobicContact CE-CG 4Å; M60-Y114 HydrophobicContact CG-CD1 4.27Å; M60-Y114 HydrophobicContact CG-CG 4.12Å; M60-Y114 HydrophobicContact SD-CD2 4.02Å; M60-Y114 HydrophobicContact SD-CG 3.95Å; M60-W158 HydrophobicContact CE-CZ3 4.33Å; M60-F161 HydrophobicContact CB-CE1 4.1Å; M60-F161 HydrophobicContact CB-CZ 4.42Å; M60-F161 HydrophobicContact CE-CE1 3.89Å; M60-F161 HydrophobicContact CE-CE2 4.2Å; M60-F161 HydrophobicContact CE-CZ 3.66Å; M60-F161 HydrophobicContact SD-CE1 4.31Å; M60-F161 HydrophobicContact SD-CZ 3.81Å
61R95.5Very high86.9Confident52 Ų5252.6 Ų52.620%0.19626%0.262CS..Hα-helixtrans-53.8-53.5173.2-68.1178.1-171.5-157.911111.3D31 Y32 H35 A57 L58 M63 G64 E65D31-R61 IonicContact OD1-CZ 3.89Å; D31-R61 IonicContact OD1-NE 2.67Å; D31-R61 IonicContact OD1-NH2 3.79Å; D31-R61 PolarHBondContact OD1-NH2 3.44Å; D31-R61 IonicContact OD2-CZ 3.74Å; D31-R61 IonicContact OD2-NE 3.35Å; D31-R61 PolarHBondContact OD2-NE 2.94Å; D31-R61 IonicContact OD2-NH2 2.72Å; D31-R61 PolarHBondContact OD2-NH2 3.37Å; D31-R61 VanDerWaalsContact OD2-NH2 3.13Å; Y32-R61 HydrophobicContact CD2-CG 4.38Å; H35-R61 HydrophobicContact CB-CG 4.24Å; H35-R61 PolarHBondContact ND1-NH1 3.12Å; A57-R61 WeakPolarHBondContact O-CG 3.49Å; A57-R61 PolarHBondContact O-N 3.22Å; L58-R61 PolarHBondContact O-N 2.96Å; R61-M63 VanDerWaalsContact C-N 3.34Å; R61-M63 PolarHBondContact O-N 2.82Å; R61-G64 PolarHBondContact O-N 3.32Å; R61-E65 WeakPolarHBondContact O-CB 3.44Å; R61-E65 VanDerWaalsContact O-CG 3.31Å; R61-E65 WeakPolarHBondContact O-CG 3.43Å; R61-E65 PolarHBondContact O-N 3.25Å
62A93.3Very high86Confident24 Ų2455 Ų5520%0.19827%0.266CS..Hα-helixtrans-61-41.5-178.600000112.7L58 C59 M60 L66 Y165L58-A62 PolarHBondContact O-N 3.12Å; L58-A62 VanDerWaalsContact O-N 3.08Å; C59-A62 PolarHBondContact O-N 2.9Å; M60-A62 PolarHBondContact O-N 2.86Å; A62-L66 VanDerWaalsContact O-CG 3.31Å; A62-L66 WeakPolarHBondContact O-CG 3.47Å; A62-L66 PolarHBondContact O-N 2.8Å; A62-L66 VanDerWaalsContact O-N 3.12Å; A62-Y165 HydrophobicContact CB-CE2 3.74Å
63M91.3Very high85Confident1 Ų151 Ų511%0.00525%0.254CS..Hα-helixtrans-71.5-38.6179.1-71.3-68-83.900112.6C59 M60 R61 L66 F67 V111 F161 F164 Y165 W179C59-M63 WeakPolarHBondContact O-CB 3.48Å; C59-M63 VanDerWaalsContact O-CG 3.24Å; C59-M63 WeakPolarHBondContact O-CG 3.33Å; C59-M63 PolarHBondContact O-N 3.3Å; M60-M63 PolarHBondContact O-N 3.3Å; R61-M63 VanDerWaalsContact C-N 3.34Å; R61-M63 PolarHBondContact O-N 2.82Å; M63-L66 PolarHBondContact O-N 3.06Å; M63-L66 HydrophobicContact SD-CD1 4.3Å; M63-F67 WeakPolarHBondContact O-CB 3.29Å; M63-F67 PolarHBondContact O-N 2.94Å; M63-V111 HydrophobicContact CB-CG1 3.97Å; M63-V111 HydrophobicContact CB-CG2 3.81Å; M63-F161 HydrophobicContact CB-CZ 4.49Å; M63-F161 HydrophobicContact CG-CZ 4.36Å; M63-F164 HydrophobicContact CE-CD1 3.91Å; M63-F164 HydrophobicContact CE-CE1 3.37Å; M63-F164 HydrophobicContact CE-CZ 4.36Å; M63-Y165 HydrophobicContact CG-CD2 3.63Å; M63-Y165 HydrophobicContact CG-CE2 4.38Å; M63-Y165 HydrophobicContact SD-CD2 3.75Å; M63-Y165 HydrophobicContact SD-CE2 4.47Å; M63-W179 HydrophobicContact CB-CH2 4.44Å; M63-W179 HydrophobicContact CE-CD2 4.34Å; M63-W179 HydrophobicContact CE-CE3 4.46Å; M63-W179 HydrophobicContact CE-CH2 3.3Å; M63-W179 HydrophobicContact CE-CZ2 3.17Å; M63-W179 HydrophobicContact CE-CZ3 4Å; M63-W179 HydrophobicContact SD-CH2 4.2Å; M63-W179 HydrophobicContact SD-CZ2 3.89Å
64G91.1Very high84.1Confident0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-67.2-40175.900000112.3Y32 M60 R61 L66 F67 E68 S115Y32-G64 WeakPolarHBondContact OH-CA 3.31Å; M60-G64 PolarHBondContact O-N 3.37Å; R61-G64 PolarHBondContact O-N 3.32Å; G64-L66 VanDerWaalsContact C-N 3.34Å; G64-L66 PolarHBondContact O-N 2.8Å; G64-F67 WeakPolarHBondContact O-CB 3.48Å; G64-F67 PolarHBondContact O-N 3.23Å; G64-F67 VanDerWaalsContact O-N 3.16Å; G64-E68 WeakPolarHBondContact O-CB 3.37Å; G64-E68 VanDerWaalsContact O-CG 3.27Å; G64-E68 WeakPolarHBondContact O-CG 3.38Å; G64-E68 PolarHBondContact O-N 3.07Å; G64-S115 WeakPolarHBondContact CA-OG 3.19Å
65E89Confident82.4Confident58 Ų5849.9 Ų49.927%0.27125%0.245SC..Hα-helixtrans-61.5-41.2171.8-75.3174.1-173.600111.8H35 Q39 R61 F67 N69H35-E65 IonicContact CD2-OE1 2.79Å; H35-E65 IonicContact CE1-OE1 3.66Å; H35-E65 IonicContact NE2-OE1 3.13Å; H35-E65 PolarHBondContact NE2-OE1 3.16Å; Q39-E65 PolarHBondContact NE2-OE1 3.45Å; R61-E65 WeakPolarHBondContact O-CB 3.44Å; R61-E65 VanDerWaalsContact O-CG 3.31Å; R61-E65 WeakPolarHBondContact O-CG 3.43Å; R61-E65 PolarHBondContact O-N 3.25Å; E65-F67 VanDerWaalsContact C-N 3.33Å; E65-N69 WeakPolarHBondContact O-CB 3.19Å; E65-N69 VanDerWaalsContact O-CG 3.22Å; E65-N69 PolarHBondContact O-N 2.92Å; E65-N69 PolarHBondContact O-ND2 3.2Å
66L85.8Confident80.7Confident97 Ų9748.4 Ų48.451%0.50824%0.242SC..Hα-helixtrans-63.7-39.7174-73.1173.4000112A62 M63 G64 R70A62-L66 VanDerWaalsContact O-CG 3.31Å; A62-L66 WeakPolarHBondContact O-CG 3.47Å; A62-L66 PolarHBondContact O-N 2.8Å; A62-L66 VanDerWaalsContact O-N 3.12Å; M63-L66 PolarHBondContact O-N 3.06Å; M63-L66 HydrophobicContact SD-CD1 4.3Å; G64-L66 VanDerWaalsContact C-N 3.34Å; G64-L66 PolarHBondContact O-N 2.8Å; L66-R70 WeakPolarHBondContact O-CB 3.5Å; L66-R70 PolarHBondContact O-N 3.13Å
67F83.8Confident78.5Confident4 Ų453 Ų532%0.01827%0.266CS..Hα-helixtrans-62.8-55.7175.5-176.1-92000110.1M63 G64 E65 R70 Y71 F75 V111 A112 L180 I184M63-F67 WeakPolarHBondContact O-CB 3.29Å; M63-F67 PolarHBondContact O-N 2.94Å; G64-F67 WeakPolarHBondContact O-CB 3.48Å; G64-F67 PolarHBondContact O-N 3.23Å; G64-F67 VanDerWaalsContact O-N 3.16Å; E65-F67 VanDerWaalsContact C-N 3.33Å; F67-R70 PolarHBondContact O-N 2.78Å; F67-Y71 HydrophobicContact CD1-CD2 4.26Å; F67-Y71 HydrophobicContact CD2-CD2 4.15Å; F67-Y71 HydrophobicContact CD2-CE2 4.03Å; F67-Y71 HydrophobicContact CE1-CD2 4.27Å; F67-Y71 HydrophobicContact CE2-CD2 4.16Å; F67-Y71 HydrophobicContact CE2-CE2 4.16Å; F67-Y71 HydrophobicContact CG-CD2 4.19Å; F67-Y71 HydrophobicContact CG-CE2 4.38Å; F67-Y71 HydrophobicContact CZ-CD2 4.21Å; F67-Y71 WeakPolarHBondContact O-CD2 3.3Å; F67-Y71 WeakPolarHBondContact O-CE2 3.27Å; F67-Y71 PolarHBondContact O-N 3.33Å; F67-F75 AromaticContact CD1-CE2 3.95Å; F67-F75 HydrophobicContact CD1-CE2 3.95Å; F67-F75 HydrophobicContact CD1-CZ 4.2Å; F67-F75 AromaticContact CE1-CE2 3.7Å; F67-F75 HydrophobicContact CE1-CE2 3.7Å; F67-F75 AromaticContact CE1-CZ 3.76Å; F67-F75 HydrophobicContact CE1-CZ 3.76Å; F67-V111 HydrophobicContact CB-CG1 4.13Å; F67-A112 HydrophobicContact CD2-CB 4.49Å; F67-A112 HydrophobicContact CE1-CB 4.28Å; F67-A112 HydrophobicContact CE2-CB 3.72Å; F67-A112 HydrophobicContact CZ-CB 3.59Å; F67-L180 HydrophobicContact CB-CD2 4.18Å; F67-L180 HydrophobicContact CD2-CD2 3.67Å; F67-L180 HydrophobicContact CG-CD2 4.39Å; F67-I184 HydrophobicContact CE2-CG1 3.87Å; F67-I184 HydrophobicContact CZ-CG1 4.19Å
68E80.6Confident76.3Confident14 Ų1453.4 Ų53.47%0.06527%0.268CS..Hα-helixtrans-65.9-43.7-175.2-68.9159.2175.200113Y32 R36 G64 R70 Y71 K72 F75 S115Y32-E68 PolarHBondContact OH-OE1 3.12Å; R36-E68 WeakPolarHBondContact CD-OE2 3.31Å; R36-E68 IonicContact CZ-OE1 3.12Å; R36-E68 IonicContact CZ-OE2 3.33Å; R36-E68 IonicContact NE-OE1 2.86Å; R36-E68 PolarHBondContact NE-OE1 3.14Å; R36-E68 IonicContact NE-OE2 2.66Å; R36-E68 PolarHBondContact NE-OE2 3.33Å; R36-E68 VanDerWaalsContact NE-OE2 3.12Å; R36-E68 VanDerWaalsContact NH1-CD 3.3Å; R36-E68 IonicContact NH1-OE1 2.64Å; R36-E68 IonicContact NH1-OE2 3.13Å; R36-E68 PolarHBondContact NH1-OE2 2.94Å; R36-E68 VanDerWaalsContact NH2-CD 3.26Å; R36-E68 IonicContact NH2-OE1 3.78Å; R36-E68 PolarHBondContact NH2-OE1 3.03Å; R36-E68 VanDerWaalsContact NH2-OE1 3.13Å; R36-E68 IonicContact NH2-OE2 3.61Å; R36-E68 PolarHBondContact NH2-OE2 3.2Å; G64-E68 WeakPolarHBondContact O-CB 3.37Å; G64-E68 VanDerWaalsContact O-CG 3.27Å; G64-E68 WeakPolarHBondContact O-CG 3.38Å; G64-E68 PolarHBondContact O-N 3.07Å; E68-R70 PolarHBondContact O-N 3.23Å; E68-Y71 CarbonylContact O-C 3.49Å; E68-Y71 VanDerWaalsContact O-C 3.29Å; E68-Y71 PolarHBondContact O-N 3.04Å; E68-K72 WeakPolarHBondContact O-CA 3.42Å; E68-K72 PolarHBondContact O-N 3.3Å; E68-F75 HydrophobicContact CG-CE2 4.13Å; E68-F75 HydrophobicContact CG-CZ 4.38Å; E68-S115 WeakPolarHBondContact OE1-CB 3.21Å
69N80.4Confident74.2Confident117 Ų11750.4 Ų50.463%0.62626%0.255SS*.Hα-helixtrans-59.3-37.3177.7-78.6-41.7000111.9E65 Y71E65-N69 WeakPolarHBondContact O-CB 3.19Å; E65-N69 VanDerWaalsContact O-CG 3.22Å; E65-N69 PolarHBondContact O-N 2.92Å; E65-N69 PolarHBondContact O-ND2 3.2Å; N69-Y71 VanDerWaalsContact C-N 3.32Å
70R69.3Low72Confident111 Ų11159.8 Ų59.842%0.41929%0.291SS..Hα-helixtrans-74.2-25.2178.7-169.1152.1178.1140.5-7113.1L66 F67 E68 Y173 E177L66-R70 WeakPolarHBondContact O-CB 3.5Å; L66-R70 PolarHBondContact O-N 3.13Å; F67-R70 PolarHBondContact O-N 2.78Å; E68-R70 PolarHBondContact O-N 3.23Å; R70-Y173 PolarHBondContact NH1-OH 3.42Å; R70-E177 IonicContact CZ-OE1 2.83Å; R70-E177 IonicContact NH1-OE1 3.45Å; R70-E177 PolarHBondContact NH1-OE1 2.96Å; R70-E177 IonicContact NH2-OE1 2.65Å; R70-E177 PolarHBondContact NH2-OE1 3.29Å; R70-E177 IonicContact NH2-OE2 3.12Å; R70-E177 PolarHBondContact NH2-OE2 3.25Å
71Y64.6Low69.8Low30 Ų3061.5 Ų61.512%0.11830%0.303CS..THydrogen-bonded Turntrans-113.221.3-180-52.7-59.9000113.1F67 E68 N69 T73 N74 F75 L180 I184F67-Y71 HydrophobicContact CD1-CD2 4.26Å; F67-Y71 HydrophobicContact CD2-CD2 4.15Å; F67-Y71 HydrophobicContact CD2-CE2 4.03Å; F67-Y71 HydrophobicContact CE1-CD2 4.27Å; F67-Y71 HydrophobicContact CE2-CD2 4.16Å; F67-Y71 HydrophobicContact CE2-CE2 4.16Å; F67-Y71 HydrophobicContact CG-CD2 4.19Å; F67-Y71 HydrophobicContact CG-CE2 4.38Å; F67-Y71 HydrophobicContact CZ-CD2 4.21Å; F67-Y71 WeakPolarHBondContact O-CD2 3.3Å; F67-Y71 WeakPolarHBondContact O-CE2 3.27Å; F67-Y71 PolarHBondContact O-N 3.33Å; E68-Y71 CarbonylContact O-C 3.49Å; E68-Y71 VanDerWaalsContact O-C 3.29Å; E68-Y71 PolarHBondContact O-N 3.04Å; N69-Y71 VanDerWaalsContact C-N 3.32Å; Y71-T73 PolarHBondContact O-N 3.06Å; Y71-T73 VanDerWaalsContact O-N 3.13Å; Y71-N74 WeakPolarHBondContact O-CA 3.34Å; Y71-N74 WeakPolarHBondContact O-CB 3.37Å; Y71-N74 PolarHBondContact O-N 3.31Å; Y71-F75 WeakPolarHBondContact O-CD2 3.43Å; Y71-F75 PolarHBondContact O-N 2.99Å; Y71-L180 HydrophobicContact CE2-CB 4.43Å; Y71-L180 HydrophobicContact CE2-CD2 4.39Å; Y71-L180 WeakPolarHBondContact OH-CB 3.46Å; Y71-I184 HydrophobicContact CD1-CD1 4.17Å; Y71-I184 HydrophobicContact CD1-CG1 4.04Å; Y71-I184 HydrophobicContact CD1-CG2 3.97Å; Y71-I184 HydrophobicContact CD2-CD1 4.15Å; Y71-I184 HydrophobicContact CD2-CG1 3.7Å; Y71-I184 HydrophobicContact CE1-CB 4.48Å; Y71-I184 HydrophobicContact CE1-CD1 3.32Å; Y71-I184 HydrophobicContact CE1-CG1 3.69Å; Y71-I184 HydrophobicContact CE1-CG2 4.1Å; Y71-I184 HydrophobicContact CE2-CD1 3.34Å; Y71-I184 HydrophobicContact CE2-CG1 3.36Å; Y71-I184 HydrophobicContact CG-CG1 4.1Å; Y71-I184 HydrophobicContact CG-CG2 4.4Å; Y71-I184 VanDerWaalsContact CZ-CG1 3.42Å; Y71-I184 WeakPolarHBondContact OH-CD1 3.37Å
72K63.2Low67.9Low124 Ų12459.8 Ų59.854%0.53930%0.297SS..Hα-helixtrans-49.7-44.6-177.6-170.8-172.1174.380.40111.3E68 N74 F75 D76E68-K72 WeakPolarHBondContact O-CA 3.42Å; E68-K72 PolarHBondContact O-N 3.3Å; K72-N74 VanDerWaalsContact C-N 3.31Å; K72-N74 PolarHBondContact O-N 2.82Å; K72-F75 PolarHBondContact O-N 3.2Å; K72-D76 WeakPolarHBondContact O-CB 3.49Å; K72-D76 PolarHBondContact O-N 3.06Å
73T59.1Low66.2Low99 Ų9964.7 Ų64.761%0.60732%0.316SS*.Hα-helixtrans-62.8-32.5177.4-38.20000113.8Y71 N77Y71-T73 PolarHBondContact O-N 3.06Å; Y71-T73 VanDerWaalsContact O-N 3.13Å; T73-N77 PolarHBondContact O-N 3.19Å; T73-N77 PolarHBondContact O-ND2 3.17Å
74N57.8Low64.8Low73 Ų7365.3 Ų65.339%0.3932%0.319SS..Hα-helixtrans-78-37.1177.5-64.30.1000111.1Y71 K72 M78 C188Y71-N74 WeakPolarHBondContact O-CA 3.34Å; Y71-N74 WeakPolarHBondContact O-CB 3.37Å; Y71-N74 PolarHBondContact O-N 3.31Å; K72-N74 VanDerWaalsContact C-N 3.31Å; K72-N74 PolarHBondContact O-N 2.82Å; N74-M78 WeakPolarHBondContact O-CB 3.45Å; N74-M78 PolarHBondContact O-N 3.43Å; N74-M78 VanDerWaalsContact O-N 3.17Å; N74-C188 PolarHBondContact ND2-SG 3.02Å
75F52.7Low63.7Low23 Ų2368.3 Ų68.310%0.10134%0.34CS..Hα-helixtrans-71.5-39.4175.6-83.4-74.6000112.7F67 E68 Y71 K72 N77 M78 S79 C119F67-F75 AromaticContact CD1-CE2 3.95Å; F67-F75 HydrophobicContact CD1-CE2 3.95Å; F67-F75 HydrophobicContact CD1-CZ 4.2Å; F67-F75 AromaticContact CE1-CE2 3.7Å; F67-F75 HydrophobicContact CE1-CE2 3.7Å; F67-F75 AromaticContact CE1-CZ 3.76Å; F67-F75 HydrophobicContact CE1-CZ 3.76Å; E68-F75 HydrophobicContact CG-CE2 4.13Å; E68-F75 HydrophobicContact CG-CZ 4.38Å; Y71-F75 WeakPolarHBondContact O-CD2 3.43Å; Y71-F75 PolarHBondContact O-N 2.99Å; K72-F75 PolarHBondContact O-N 3.2Å; F75-N77 VanDerWaalsContact C-N 3.25Å; F75-N77 PolarHBondContact O-N 3.45Å; F75-M78 HydrophobicContact CD1-SD 3.65Å; F75-M78 HydrophobicContact CE1-SD 3.85Å; F75-M78 VanDerWaalsContact O-CB 3.26Å; F75-M78 WeakPolarHBondContact O-CB 3.23Å; F75-M78 PolarHBondContact O-N 2.99Å; F75-S79 PolarHBondContact O-N 3.23Å; F75-C119 HydrophobicContact CD1-CB 3.87Å; F75-C119 VanDerWaalsContact CD1-SG 3.56Å; F75-C119 HydrophobicContact CE1-CB 3.66Å
76D56.5Low62.9Low79 Ų7968.6 Ų68.642%0.42235%0.347SS..Hα-helixtrans-60.6-37.8175.4-68.1-16.7000110.4K72 M78 S79 Y80K72-D76 WeakPolarHBondContact O-CB 3.49Å; K72-D76 PolarHBondContact O-N 3.06Å; D76-M78 VanDerWaalsContact C-N 3.35Å; D76-S79 PolarHBondContact O-OG 3.26Å; D76-Y80 WeakPolarHBondContact O-CD2 3.19Å; D76-Y80 VanDerWaalsContact O-CE2 3.32Å; D76-Y80 WeakPolarHBondContact O-CE2 3.42Å
77N50Low62.4Low109 Ų10969 Ų6958%0.58336%0.357SS*.Hα-helixtrans-73.6-24.5174.3-71.9-32.8000113.5T73 F75T73-N77 PolarHBondContact O-N 3.19Å; T73-N77 PolarHBondContact O-ND2 3.17Å; F75-N77 VanDerWaalsContact C-N 3.25Å; F75-N77 PolarHBondContact O-N 3.45Å
78M50.1Low62.1Low8 Ų871.1 Ų71.14%0.03937%0.371CS..Hα-helixtrans-72.1-45.8-175.6179.7-177.6-176.300112.4N74 F75 D76 Y80 S81 I82 F116 L191N74-M78 WeakPolarHBondContact O-CB 3.45Å; N74-M78 PolarHBondContact O-N 3.43Å; N74-M78 VanDerWaalsContact O-N 3.17Å; F75-M78 HydrophobicContact CD1-SD 3.65Å; F75-M78 HydrophobicContact CE1-SD 3.85Å; F75-M78 VanDerWaalsContact O-CB 3.26Å; F75-M78 WeakPolarHBondContact O-CB 3.23Å; F75-M78 PolarHBondContact O-N 2.99Å; D76-M78 VanDerWaalsContact C-N 3.35Å; M78-Y80 PolarHBondContact O-N 3.2Å; M78-S81 PolarHBondContact O-N 3.47Å; M78-S81 PolarHBondContact O-OG 2.85Å; M78-I82 HydrophobicContact CE-CD1 3.77Å; M78-I82 HydrophobicContact CG-CD1 3.89Å; M78-I82 PolarHBondContact O-N 2.88Å; M78-F116 HydrophobicContact CE-CD2 3.48Å; M78-F116 VanDerWaalsContact CE-CD2 3.48Å; M78-F116 HydrophobicContact CE-CE2 3.46Å; M78-F116 VanDerWaalsContact CE-CE2 3.46Å; M78-L191 HydrophobicContact CE-CD1 3.19Å; M78-L191 HydrophobicContact CE-CD2 3.41Å; M78-L191 VanDerWaalsContact CE-CD2 3.41Å; M78-L191 HydrophobicContact CE-CG 3.88Å; M78-L191 HydrophobicContact CG-CD1 4.04Å; M78-L191 HydrophobicContact SD-CD1 3.4Å; M78-L191 WeakPolarHBondContact SD-CD1 3.36Å
79S52Low62.2Low30 Ų3070.4 Ų70.421%0.2137%0.368CS..Hα-helixtrans-60.6-28.8-177.659.80000113.5F75 D76 S81 E123 K127F75-S79 PolarHBondContact O-N 3.23Å; D76-S79 PolarHBondContact O-OG 3.26Å; S79-S81 VanDerWaalsContact C-N 3.29Å; S79-S81 PolarHBondContact O-N 3.49Å; S79-E123 VanDerWaalsContact O-OE1 3.04Å; S79-K127 PolarHBondContact O-NZ 3.03Å
80Y50.3Low62.5Low202 Ų20269.8 Ų69.879%0.79236%0.357SS*.THydrogen-bonded Turntrans-73.3-20.8175.3-68.9-69.7000113.7D76 M78D76-Y80 WeakPolarHBondContact O-CD2 3.19Å; D76-Y80 VanDerWaalsContact O-CE2 3.32Å; D76-Y80 WeakPolarHBondContact O-CE2 3.42Å; M78-Y80 PolarHBondContact O-N 3.2Å
81S50.4Low63.3Low36 Ų3668.1 Ų68.125%0.25236%0.361SS..THydrogen-bonded Turntrans-107.6-20-160.176.10000114.5M78 S79 Q83 T195M78-S81 PolarHBondContact O-N 3.47Å; M78-S81 PolarHBondContact O-OG 2.85Å; S79-S81 VanDerWaalsContact C-N 3.29Å; S79-S81 PolarHBondContact O-N 3.49Å; S81-Q83 PolarHBondContact O-N 3.06Å; S81-T195 WeakPolarHBondContact OG-CG2 3.43Å
82I53.8Low64.1Low16 Ų1669 Ų698%0.08237%0.365CS..  trans-87.297.5177.2-58.8164000107.8M78 M84 E123 K127 L191M78-I82 HydrophobicContact CE-CD1 3.77Å; M78-I82 HydrophobicContact CG-CD1 3.89Å; M78-I82 PolarHBondContact O-N 2.88Å; I82-M84 HydrophobicContact CG2-CB 4.16Å; I82-M84 HydrophobicContact CG2-CE 4.02Å; I82-M84 HydrophobicContact CG2-SD 3.83Å; I82-M84 PolarHBondContact O-N 3.38Å; I82-E123 VanDerWaalsContact CB-OE1 3.27Å; I82-E123 WeakPolarHBondContact CB-OE1 3.45Å; I82-E123 WeakPolarHBondContact CD1-OE2 3.46Å; I82-K127 PolarHBondContact O-NZ 2.94Å; I82-L191 HydrophobicContact CD1-CD2 4.34Å
83Q58.4Low65.3Low127 Ų12763.3 Ų63.359%0.59334%0.34SS*.  trans-65.493.5159.2-72-169.6-2200107.5S81 C85 K92S81-Q83 PolarHBondContact O-N 3.06Å; Q83-C85 PolarHBondContact O-N 3.31Å; Q83-K92 PolarHBondContact O-NZ 3.48Å
84M61.9Low66.8Low14 Ų1460.8 Ų60.87%0.06932%0.323CS..  trans-83.3111.6-178.6-163.496.86900108.4I82 A89 L120 E123 C124 M129I82-M84 HydrophobicContact CG2-CB 4.16Å; I82-M84 HydrophobicContact CG2-CE 4.02Å; I82-M84 HydrophobicContact CG2-SD 3.83Å; I82-M84 PolarHBondContact O-N 3.38Å; M84-A89 HydrophobicContact CG-CB 4.2Å; M84-A89 HydrophobicContact SD-CB 3.91Å; M84-L120 HydrophobicContact CE-CD1 3.16Å; M84-L120 HydrophobicContact CE-CG 3.67Å; M84-L120 HydrophobicContact SD-CD1 3.55Å; M84-L120 VanDerWaalsContact SD-CD1 3.55Å; M84-L120 HydrophobicContact SD-CG 4.15Å; M84-E123 HydrophobicContact CE-CB 4.25Å; M84-E123 HydrophobicContact CE-CG 4.17Å; M84-C124 VanDerWaalsContact CE-SG 3.52Å; M84-M129 HydrophobicContact CB-CE 4.06Å; M84-M129 HydrophobicContact CG-CE 4.3Å
85C68.6Low68.1Low64 Ų6459.1 Ų59.143%0.43232%0.319SS..  trans-103.2134.1161.4-69.30000107.5Q83 S87 T88 A89Q83-C85 PolarHBondContact O-N 3.31Å; C85-S87 PolarHBondContact O-N 3.39Å; C85-S87 VanDerWaalsContact O-N 3.09Å; C85-T88 HydrophobicContact CB-CG2 4.28Å; C85-T88 PolarHBondContact O-N 2.98Å; C85-T88 PolarHBondContact O-OG1 3Å; C85-A89 PolarHBondContact O-N 3.23Å
86P71.3Confident69.7Low64 Ų6458.1 Ų58.142%0.41632%0.315SS..Hα-helixtrans-47.6-40.1177.2-33.238.1000113.6T88 M129 M132P86-T88 VanDerWaalsContact C-N 3.29Å; P86-T88 PolarHBondContact O-N 3.48Å; P86-M129 HydrophobicContact CG-SD 3.73Å; P86-M132 HydrophobicContact CB-CE 4.24Å; P86-M132 HydrophobicContact CB-SD 3.63Å; P86-M132 HydrophobicContact CG-SD 4.04Å
87S76.5Confident71.3Confident104 Ų10454.3 Ų54.373%0.72730%0.295SS*.Hα-helixtrans-67.2-22.6178.556.80000115C85C85-S87 PolarHBondContact O-N 3.39Å; C85-S87 VanDerWaalsContact O-N 3.09Å
88T77.5Confident73.2Confident49 Ų4954.8 Ų54.830%0.30129%0.294SS..Hα-helixtrans-106.5-13.8-178.265.80000113.2C85 P86 Y90 P91 K92C85-T88 HydrophobicContact CB-CG2 4.28Å; C85-T88 PolarHBondContact O-N 2.98Å; C85-T88 PolarHBondContact O-OG1 3Å; P86-T88 VanDerWaalsContact C-N 3.29Å; P86-T88 PolarHBondContact O-N 3.48Å; T88-Y90 PolarHBondContact O-N 3.25Å; T88-P91 WeakPolarHBondContact O-CD 3.12Å; T88-K92 VanDerWaalsContact O-CG 3.24Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.89Å; T88-K92 VanDerWaalsContact O-N 3.09Å
89A81.1Confident74.9Confident0 Ų057.8 Ų57.80%031%0.307CS..Hα-helixtrans-60.2-45.3-173.100000112.4M84 C85 K92 F93 M132 W139M84-A89 HydrophobicContact CG-CB 4.2Å; M84-A89 HydrophobicContact SD-CB 3.91Å; C85-A89 PolarHBondContact O-N 3.23Å; A89-K92 PolarHBondContact O-N 3.19Å; A89-F93 WeakPolarHBondContact O-CB 3.33Å; A89-F93 PolarHBondContact O-N 3.23Å; A89-M132 HydrophobicContact CB-CE 3.68Å; A89-W139 HydrophobicContact CB-CH2 3.69Å; A89-W139 HydrophobicContact CB-CZ3 3.86Å
90Y87.4Confident76.6Confident103 Ų10356.4 Ų56.440%0.40430%0.297SS..Hα-helixtrans-64.3-50.8178.3176.6-106.9000113.5T88 K92 F93 L94 W139T88-Y90 PolarHBondContact O-N 3.25Å; Y90-K92 VanDerWaalsContact C-N 3.26Å; Y90-K92 PolarHBondContact O-N 3.16Å; Y90-F93 HydrophobicContact CD2-CD1 4.5Å; Y90-F93 WeakPolarHBondContact O-CB 3.4Å; Y90-F93 PolarHBondContact O-N 3.46Å; Y90-F93 VanDerWaalsContact O-N 3.16Å; Y90-L94 HydrophobicContact CE1-CD2 4.44Å; Y90-L94 WeakPolarHBondContact O-CB 3.21Å; Y90-L94 PolarHBondContact O-N 3.02Å; Y90-W139 HydrophobicContact CD2-CB 4.42Å; Y90-W139 AromaticContact CD2-CD1 3.66Å; Y90-W139 AromaticContact CD2-CD2 3.66Å; Y90-W139 HydrophobicContact CD2-CD2 3.66Å; Y90-W139 AromaticContact CD2-CE2 3.7Å; Y90-W139 HydrophobicContact CD2-CE3 4.31Å; Y90-W139 AromaticContact CD2-CG 3.67Å; Y90-W139 HydrophobicContact CD2-CG 3.67Å; Y90-W139 HydrophobicContact CD2-CZ2 4.39Å; Y90-W139 AromaticContact CD2-NE1 3.68Å; Y90-W139 AromaticContact CE2-CD1 3.98Å; Y90-W139 HydrophobicContact CE2-CG 4.12Å; Y90-W139 HydrophobicContact CG-CD2 4.45Å; Y90-W139 HydrophobicContact CG-CZ2 4.45Å
91P86Confident78.5Confident76 Ų7647.8 Ų47.849%0.49426%0.264SS..Hα-helixtrans-54.8-40.3173.7-28.433.3000113.7T88 L94 A95T88-P91 WeakPolarHBondContact O-CD 3.12Å; P91-L94 PolarHBondContact O-N 3.25Å; P91-A95 WeakPolarHBondContact O-CB 3.47Å; P91-A95 PolarHBondContact O-N 2.98Å
92K82.2Confident80.4Confident50 Ų5051.6 Ų51.622%0.21728%0.276CS..Hα-helixtrans-65.6-45.4176.9-66.9-175.4179.8-178.20111.5Q83 T88 A89 Y90 A95 V96 M194Q83-K92 PolarHBondContact O-NZ 3.48Å; T88-K92 VanDerWaalsContact O-CG 3.24Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.89Å; T88-K92 VanDerWaalsContact O-N 3.09Å; A89-K92 PolarHBondContact O-N 3.19Å; Y90-K92 VanDerWaalsContact C-N 3.26Å; Y90-K92 PolarHBondContact O-N 3.16Å; K92-A95 PolarHBondContact O-N 3.17Å; K92-V96 WeakPolarHBondContact O-CG2 3.35Å; K92-V96 PolarHBondContact O-N 3.46Å; K92-M194 VanDerWaalsContact CA-CE 3.47Å; K92-M194 HydrophobicContact CB-CE 3.43Å; K92-M194 VanDerWaalsContact CB-CE 3.43Å; K92-M194 HydrophobicContact CD-CE 4.1Å; K92-M194 HydrophobicContact CG-CE 3.35Å
93F87Confident82.1Confident3 Ų355.5 Ų55.51%0.01330%0.297CS..Hα-helixtrans-57-49.7175.1170.2-90.7000111.3A89 Y90 A95 V96 C97 L113 F116 L120 W139 V140 F143A89-F93 WeakPolarHBondContact O-CB 3.33Å; A89-F93 PolarHBondContact O-N 3.23Å; Y90-F93 HydrophobicContact CD2-CD1 4.5Å; Y90-F93 WeakPolarHBondContact O-CB 3.4Å; Y90-F93 PolarHBondContact O-N 3.46Å; Y90-F93 VanDerWaalsContact O-N 3.16Å; F93-A95 PolarHBondContact O-N 3.24Å; F93-V96 WeakPolarHBondContact O-CB 3.12Å; F93-V96 PolarHBondContact O-N 2.88Å; F93-V96 VanDerWaalsContact O-N 3.17Å; F93-C97 VanDerWaalsContact CE1-SG 3.52Å; F93-C97 WeakPolarHBondContact CZ-SG 3.28Å; F93-C97 PolarHBondContact O-N 2.91Å; F93-C97 PolarHBondContact O-SG 3.44Å; F93-L113 HydrophobicContact CE2-CD1 3.99Å; F93-L113 HydrophobicContact CZ-CD1 3.89Å; F93-F116 HydrophobicContact CB-CE1 4.42Å; F93-F116 HydrophobicContact CD2-CD1 4.01Å; F93-F116 AromaticContact CD2-CE1 3.48Å; F93-F116 HydrophobicContact CD2-CE1 3.48Å; F93-F116 VanDerWaalsContact CD2-CE1 3.48Å; F93-F116 HydrophobicContact CD2-CZ 4.4Å; F93-F116 HydrophobicContact CE2-CD1 4.15Å; F93-F116 HydrophobicContact CE2-CE1 4.08Å; F93-F116 HydrophobicContact CG-CE1 4.27Å; F93-L120 HydrophobicContact CB-CD2 4.35Å; F93-L120 HydrophobicContact CD2-CD2 4.16Å; F93-W139 HydrophobicContact CB-CE3 4.13Å; F93-W139 HydrophobicContact CD1-CB 3.87Å; F93-W139 HydrophobicContact CD1-CE3 4.44Å; F93-W139 HydrophobicContact CE1-CB 3.6Å; F93-W139 HydrophobicContact CE2-CB 4.48Å; F93-W139 HydrophobicContact CG-CB 4.44Å; F93-W139 HydrophobicContact CG-CE3 4.12Å; F93-W139 HydrophobicContact CZ-CB 3.93Å; F93-V140 HydrophobicContact CE2-CG2 3.72Å; F93-V140 HydrophobicContact CZ-CG2 3.91Å; F93-F143 HydrophobicContact CE1-CB 4.33Å
94L90.6Very high83.6Confident46 Ų4651.1 Ų51.124%0.24129%0.286CS..Hα-helixtrans-62.5-42.4-178.2-177.961.1000111.9Y90 P91 V96 C97 Q98 F143Y90-L94 HydrophobicContact CE1-CD2 4.44Å; Y90-L94 WeakPolarHBondContact O-CB 3.21Å; Y90-L94 PolarHBondContact O-N 3.02Å; P91-L94 PolarHBondContact O-N 3.25Å; L94-V96 VanDerWaalsContact C-N 3.28Å; L94-V96 PolarHBondContact O-N 3.43Å; L94-C97 PolarHBondContact O-N 3.37Å; L94-Q98 HydrophobicContact CD1-CG 4.28Å; L94-Q98 HydrophobicContact CG-CG 4.4Å; L94-Q98 WeakPolarHBondContact O-CG 3.49Å; L94-Q98 PolarHBondContact O-N 3.03Å; L94-F143 HydrophobicContact CD1-CD2 4.12Å; L94-F143 HydrophobicContact CD1-CE2 4.02Å
95A87Confident85.1Confident38 Ų3851.8 Ų51.831%0.31429%0.291SS..Hα-helixtrans-59-40176.100000112P91 K92 F93 E99P91-A95 WeakPolarHBondContact O-CB 3.47Å; P91-A95 PolarHBondContact O-N 2.98Å; K92-A95 PolarHBondContact O-N 3.17Å; F93-A95 PolarHBondContact O-N 3.24Å; A95-E99 PolarHBondContact O-N 3.39Å
96V85.5Confident86.2Confident2 Ų254.4 Ų54.41%0.01229%0.292CS..Hα-helixtrans-64.5-44.4175.3178.70000111.5K92 F93 L94 E99 L100 F116 V190 L191K92-V96 WeakPolarHBondContact O-CG2 3.35Å; K92-V96 PolarHBondContact O-N 3.46Å; F93-V96 WeakPolarHBondContact O-CB 3.12Å; F93-V96 PolarHBondContact O-N 2.88Å; F93-V96 VanDerWaalsContact O-N 3.17Å; L94-V96 VanDerWaalsContact C-N 3.28Å; L94-V96 PolarHBondContact O-N 3.43Å; V96-E99 PolarHBondContact O-N 2.93Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 PolarHBondContact O-N 2.94Å; V96-F116 HydrophobicContact CB-CD1 4.39Å; V96-F116 HydrophobicContact CB-CE1 3.74Å; V96-F116 HydrophobicContact CB-CZ 3.97Å; V96-F116 HydrophobicContact CG1-CD1 3.9Å; V96-F116 HydrophobicContact CG1-CE1 3.72Å; V96-F116 HydrophobicContact CG1-CE2 4.44Å; V96-F116 HydrophobicContact CG1-CG 4.33Å; V96-F116 HydrophobicContact CG1-CZ 4.02Å; V96-F116 HydrophobicContact CG2-CE1 4.01Å; V96-F116 HydrophobicContact CG2-CE2 4.37Å; V96-F116 HydrophobicContact CG2-CZ 3.69Å; V96-V190 HydrophobicContact CB-CG1 3.86Å; V96-V190 HydrophobicContact CG1-CG1 4.09Å; V96-V190 HydrophobicContact CG2-CG1 3.37Å; V96-L191 HydrophobicContact CG2-CD2 4.24Å
97C89.7Confident87.3Confident0 Ų052.3 Ų52.30%028%0.275CS..Hα-helixtrans-65.3-44.2179.9-60.30000111.8F93 L94 E99 L100 F101 L113 F143F93-C97 VanDerWaalsContact CE1-SG 3.52Å; F93-C97 WeakPolarHBondContact CZ-SG 3.28Å; F93-C97 PolarHBondContact O-N 2.91Å; F93-C97 PolarHBondContact O-SG 3.44Å; L94-C97 PolarHBondContact O-N 3.37Å; C97-E99 VanDerWaalsContact C-N 3.34Å; C97-E99 PolarHBondContact O-N 3.41Å; C97-L100 PolarHBondContact O-N 3.01Å; C97-F101 VanDerWaalsContact O-CD2 3.23Å; C97-F101 WeakPolarHBondContact O-CD2 3.46Å; C97-F101 PolarHBondContact O-N 2.86Å; C97-L113 WeakPolarHBondContact SG-CD1 3.44Å; C97-F143 HydrophobicContact CB-CD1 4.18Å; C97-F143 HydrophobicContact CB-CD2 3.82Å; C97-F143 HydrophobicContact CB-CE1 3.84Å; C97-F143 HydrophobicContact CB-CE2 3.42Å; C97-F143 VanDerWaalsContact CB-CE2 3.42Å; C97-F143 HydrophobicContact CB-CG 4.18Å; C97-F143 HydrophobicContact CB-CZ 3.45Å; C97-F143 VanDerWaalsContact CB-CZ 3.45Å
98Q90.9Very high87.9Confident119 Ų11947.5 Ų47.556%0.55624%0.242SC*.Hα-helixtrans-58.9-45.9178.4-74.9176.6-17.700111.9L94 K102L94-Q98 HydrophobicContact CD1-CG 4.28Å; L94-Q98 HydrophobicContact CG-CG 4.4Å; L94-Q98 WeakPolarHBondContact O-CG 3.49Å; L94-Q98 PolarHBondContact O-N 3.03Å; Q98-K102 PolarHBondContact O-N 3.45Å
99E85.6Confident88.6Confident71 Ų7145.4 Ų45.433%0.33223%0.229SC..Hα-helixtrans-68.4-43.7177.8-177.157.1-157.200110.7A95 V96 C97 F101 K102 V186 V190A95-E99 PolarHBondContact O-N 3.39Å; V96-E99 PolarHBondContact O-N 2.93Å; C97-E99 VanDerWaalsContact C-N 3.34Å; C97-E99 PolarHBondContact O-N 3.41Å; E99-F101 PolarHBondContact O-N 2.78Å; E99-K102 VanDerWaalsContact CD-CD 3.45Å; E99-K102 WeakPolarHBondContact O-CB 3.48Å; E99-K102 VanDerWaalsContact O-CG 3.32Å; E99-K102 WeakPolarHBondContact O-CG 3.44Å; E99-K102 PolarHBondContact O-N 3.07Å; E99-K102 WeakPolarHBondContact OE1-CD 3.34Å; E99-K102 VanDerWaalsContact OE1-CE 3.31Å; E99-K102 WeakPolarHBondContact OE1-CE 3.47Å; E99-K102 IonicContact OE1-NZ 2.82Å; E99-K102 PolarHBondContact OE1-NZ 2.87Å; E99-K102 VanDerWaalsContact OE2-CD 3.29Å; E99-K102 WeakPolarHBondContact OE2-CD 3.42Å; E99-K102 IonicContact OE2-NZ 2.72Å; E99-V186 HydrophobicContact CB-CG1 4.36Å; E99-V186 HydrophobicContact CG-CG1 3.73Å; E99-V186 WeakPolarHBondContact O-CG1 3.45Å; E99-V190 HydrophobicContact CB-CG2 3.4Å; E99-V190 HydrophobicContact CG-CG2 3.11Å
100L86.7Confident89.3Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-52.4-39.8176.9-17755.3000113.1V96 C97 R109 A112 L113 V186 V187V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 PolarHBondContact O-N 2.94Å; C97-L100 PolarHBondContact O-N 3.01Å; L100-R109 HydrophobicContact CD1-CB 4.22Å; L100-R109 HydrophobicContact CD1-CG 4.14Å; L100-R109 HydrophobicContact CG-CB 4.31Å; L100-R109 VanDerWaalsContact O-CD 3.27Å; L100-R109 WeakPolarHBondContact O-CD 3.44Å; L100-R109 PolarHBondContact O-NE 2.76Å; L100-A112 HydrophobicContact CD1-CB 4.37Å; L100-A112 HydrophobicContact CD2-CB 4.26Å; L100-L113 HydrophobicContact CD2-CB 4.12Å; L100-V186 HydrophobicContact CB-CG1 4.45Å; L100-V186 HydrophobicContact CD1-CB 4.14Å; L100-V186 HydrophobicContact CD1-CG1 4.48Å; L100-V187 HydrophobicContact CD1-CG2 3.76Å; L100-V187 HydrophobicContact CD2-CG2 4.2Å
101F91.2Very high89.5Confident21 Ų2140.5 Ų40.59%0.09221%0.21CC..Hα-helixtrans-104.97.1-175.6-65.1-74.5000114.4C97 E99 D103 G104 V105 R109 L113 F143 L148C97-F101 VanDerWaalsContact O-CD2 3.23Å; C97-F101 WeakPolarHBondContact O-CD2 3.46Å; C97-F101 PolarHBondContact O-N 2.86Å; E99-F101 PolarHBondContact O-N 2.78Å; F101-D103 VanDerWaalsContact C-N 3.27Å; F101-D103 PolarHBondContact O-N 2.72Å; F101-G104 PolarHBondContact O-N 2.94Å; F101-V105 HydrophobicContact CD1-CB 4.35Å; F101-V105 HydrophobicContact CD1-CG1 4.22Å; F101-V105 HydrophobicContact CD1-CG2 4.05Å; F101-V105 HydrophobicContact CE1-CG1 4.07Å; F101-R109 HydrophobicContact CD1-CB 4.02Å; F101-R109 HydrophobicContact CE1-CB 3.49Å; F101-R109 VanDerWaalsContact CE1-CB 3.49Å; F101-R109 HydrophobicContact CZ-CB 4.12Å; F101-L113 HydrophobicContact CE2-CB 4.2Å; F101-L113 HydrophobicContact CE2-CD2 4.06Å; F101-L113 HydrophobicContact CZ-CB 4.17Å; F101-L113 HydrophobicContact CZ-CD2 4.29Å; F101-F143 AromaticContact CD2-CE1 3.5Å; F101-F143 HydrophobicContact CD2-CE1 3.5Å; F101-F143 VanDerWaalsContact CD2-CE1 3.5Å; F101-F143 AromaticContact CD2-CZ 3.96Å; F101-F143 HydrophobicContact CD2-CZ 3.96Å; F101-F143 HydrophobicContact CE2-CD1 4.39Å; F101-F143 AromaticContact CE2-CE1 3.69Å; F101-F143 HydrophobicContact CE2-CE1 3.69Å; F101-F143 HydrophobicContact CG-CE1 4.42Å; F101-L148 HydrophobicContact CD1-CD2 3.89Å; F101-L148 HydrophobicContact CD2-CD2 4.26Å; F101-L148 HydrophobicContact CE1-CD1 3.99Å; F101-L148 HydrophobicContact CE1-CD2 3.95Å; F101-L148 HydrophobicContact CE2-CD1 3.94Å; F101-L148 HydrophobicContact CE2-CD2 4.34Å; F101-L148 HydrophobicContact CG-CD2 4.04Å; F101-L148 HydrophobicContact CZ-CD1 3.58Å; F101-L148 HydrophobicContact CZ-CD2 4.19Å
102K90.1Very high89.7Confident116 Ų11636.9 Ų36.950%0.50419%0.186SC..THydrogen-bonded Turntrans-56-36.9-176.480-170.9-174.8175.80114.2Q98 E99 G104Q98-K102 PolarHBondContact O-N 3.45Å; E99-K102 VanDerWaalsContact CD-CD 3.45Å; E99-K102 WeakPolarHBondContact O-CB 3.48Å; E99-K102 VanDerWaalsContact O-CG 3.32Å; E99-K102 WeakPolarHBondContact O-CG 3.44Å; E99-K102 PolarHBondContact O-N 3.07Å; E99-K102 WeakPolarHBondContact OE1-CD 3.34Å; E99-K102 VanDerWaalsContact OE1-CE 3.31Å; E99-K102 WeakPolarHBondContact OE1-CE 3.47Å; E99-K102 IonicContact OE1-NZ 2.82Å; E99-K102 PolarHBondContact OE1-NZ 2.87Å; E99-K102 VanDerWaalsContact OE2-CD 3.29Å; E99-K102 WeakPolarHBondContact OE2-CD 3.42Å; E99-K102 IonicContact OE2-NZ 2.72Å; K102-G104 VanDerWaalsContact C-N 3.35Å
103D88.3Confident90.2Very high99 Ų9934.5 Ų34.553%0.52918%0.176SC..THydrogen-bonded Turntrans-97.820.1179.8-37.2-66.9000112.6F101 R109F101-D103 VanDerWaalsContact C-N 3.27Å; F101-D103 PolarHBondContact O-N 2.72Å; D103-R109 VanDerWaalsContact C-NH1 3.25Å; D103-R109 PolarHBondContact O-NH1 3.11Å; D103-R109 IonicContact OD2-NH2 3.21Å; D103-R109 PolarHBondContact OD2-NH2 2.56Å; D103-R109 VanDerWaalsContact OD2-NH2 3.12Å
104G91Very high90.6Very high34 Ų3434.5 Ų34.535%0.35118%0.176SC..  trans102.6173.6178.100000115.3F101 K102 R109F101-G104 PolarHBondContact O-N 2.94Å; K102-G104 VanDerWaalsContact C-N 3.35Å; G104-R109 WeakPolarHBondContact O-CD 3.1Å; G104-R109 PolarHBondContact O-NH1 2.9Å
105V92.7Very high90.6Very high28 Ų2832.3 Ų32.317%0.1716%0.164CC..  trans-96.7138.8-173.4-171.20000110.6F101 L148 W151F101-V105 HydrophobicContact CD1-CB 4.35Å; F101-V105 HydrophobicContact CD1-CG1 4.22Å; F101-V105 HydrophobicContact CD1-CG2 4.05Å; F101-V105 HydrophobicContact CE1-CG1 4.07Å; V105-L148 HydrophobicContact CG1-CD2 4.03Å; V105-L148 HydrophobicContact CG2-CD2 3.61Å; V105-W151 HydrophobicContact CB-CB 4.07Å; V105-W151 HydrophobicContact CB-CD2 3.57Å; V105-W151 HydrophobicContact CB-CE3 4.02Å; V105-W151 HydrophobicContact CB-CG 3.57Å; V105-W151 HydrophobicContact CG1-CB 4.27Å; V105-W151 HydrophobicContact CG1-CD2 3.44Å; V105-W151 VanDerWaalsContact CG1-CD2 3.44Å; V105-W151 HydrophobicContact CG1-CE3 3.32Å; V105-W151 HydrophobicContact CG1-CG 3.87Å; V105-W151 HydrophobicContact CG1-CZ3 3.9Å; V105-W151 HydrophobicContact CG2-CB 4.28Å; V105-W151 HydrophobicContact CG2-CG 4.27Å; V105-W151 VanDerWaalsContact O-CE2 3.24Å; V105-W151 WeakPolarHBondContact O-CZ2 3.43Å; V105-W151 PolarHBondContact O-NE1 2.96Å
106R91.8Very high90.6Very high120 Ų12030.7 Ų30.745%0.45315%0.15SC..  trans-143.9147.4172.5-57.6-179.1-166.3170.55.7107.6G108 R109 L110 T182R106-G108 PolarHBondContact O-N 3.49Å; R106-R109 HydrophobicContact CB-CG 4.49Å; R106-R109 WeakPolarHBondContact O-CA 3.39Å; R106-R109 WeakPolarHBondContact O-CB 3.35Å; R106-R109 PolarHBondContact O-N 3Å; R106-L110 PolarHBondContact O-N 2.9Å; R106-T182 VanDerWaalsContact NH1-CG2 3.27Å; R106-T182 PolarHBondContact NH1-OG1 3.46Å
107W94Very high90.9Very high19 Ų1930.6 Ų30.67%0.07215%0.15CC..Hα-helixtrans-51.8-34.8175.1-66.5124.8000112.9R109 L110 V111 W151 I152 N155 G157 F161 F164W107-R109 PolarHBondContact O-N 3.24Å; W107-L110 HydrophobicContact CE3-CD2 3.61Å; W107-L110 HydrophobicContact CZ3-CD2 3.63Å; W107-L110 WeakPolarHBondContact O-CB 3.49Å; W107-L110 PolarHBondContact O-N 2.86Å; W107-V111 WeakPolarHBondContact O-CG2 3.35Å; W107-V111 PolarHBondContact O-N 2.71Å; W107-W151 AromaticContact CD1-CH2 3.83Å; W107-W151 AromaticContact CD2-CH2 3.64Å; W107-W151 HydrophobicContact CD2-CH2 3.64Å; W107-W151 AromaticContact CD2-CZ3 3.57Å; W107-W151 HydrophobicContact CD2-CZ3 3.57Å; W107-W151 AromaticContact CE2-CH2 3.66Å; W107-W151 AromaticContact CE2-CZ3 3.68Å; W107-W151 HydrophobicContact CE3-CH2 4.19Å; W107-W151 AromaticContact CE3-CZ3 3.65Å; W107-W151 HydrophobicContact CE3-CZ3 3.65Å; W107-W151 AromaticContact CG-CH2 3.77Å; W107-W151 HydrophobicContact CG-CH2 3.77Å; W107-W151 HydrophobicContact CG-CZ3 4.17Å; W107-W151 AromaticContact CH2-CZ3 3.95Å; W107-W151 HydrophobicContact CH2-CZ3 3.95Å; W107-W151 HydrophobicContact CZ2-CH2 4.22Å; W107-W151 AromaticContact CZ2-CZ3 3.89Å; W107-W151 HydrophobicContact CZ2-CZ3 3.89Å; W107-W151 AromaticContact CZ3-CZ3 3.83Å; W107-W151 HydrophobicContact CZ3-CZ3 3.83Å; W107-W151 AromaticContact NE1-CH2 3.79Å; W107-I152 HydrophobicContact CH2-CB 4.18Å; W107-I152 HydrophobicContact CH2-CG1 4.09Å; W107-I152 HydrophobicContact CH2-CG2 3.85Å; W107-I152 HydrophobicContact CZ3-CB 4.46Å; W107-I152 HydrophobicContact CZ3-CG1 3.88Å; W107-I152 HydrophobicContact CZ3-CG2 4.24Å; W107-N155 HydrophobicContact CZ2-CB 3.78Å; W107-G157 VanDerWaalsContact CH2-O 3.29Å; W107-G157 WeakPolarHBondContact CH2-O 3.43Å; W107-F161 HydrophobicContact CB-CD2 4.21Å; W107-F161 HydrophobicContact CD2-CB 4.2Å; W107-F161 AromaticContact CD2-CD2 3.91Å; W107-F161 HydrophobicContact CD2-CD2 3.91Å; W107-F161 HydrophobicContact CE3-CB 3.85Å; W107-F161 AromaticContact CE3-CD2 3.56Å; W107-F161 HydrophobicContact CE3-CD2 3.56Å; W107-F161 HydrophobicContact CE3-CG 4.11Å; W107-F161 HydrophobicContact CG-CD2 4.22Å; W107-F161 HydrophobicContact CH2-CB 3.98Å; W107-F161 HydrophobicContact CZ2-CB 4.31Å; W107-F161 HydrophobicContact CZ3-CB 3.74Å; W107-F161 HydrophobicContact CZ3-CD2 4.23Å; W107-F161 HydrophobicContact CZ3-CG 4.35Å; W107-F164 HydrophobicContact CB-CD1 3.59Å; W107-F164 HydrophobicContact CB-CD2 3.63Å; W107-F164 HydrophobicContact CB-CE1 3.45Å; W107-F164 VanDerWaalsContact CB-CE1 3.45Å; W107-F164 HydrophobicContact CB-CE2 3.46Å; W107-F164 VanDerWaalsContact CB-CE2 3.46Å; W107-F164 HydrophobicContact CB-CG 3.69Å; W107-F164 HydrophobicContact CB-CZ 3.4Å; W107-F164 AromaticContact CD1-CD2 3.3Å; W107-F164 AromaticContact CD1-CE2 3.89Å; W107-F164 AromaticContact CD1-CG 3.54Å; W107-F164 HydrophobicContact CG-CB 4.13Å; W107-F164 HydrophobicContact CG-CD1 4.08Å; W107-F164 AromaticContact CG-CD2 3.76Å; W107-F164 HydrophobicContact CG-CD2 3.76Å; W107-F164 HydrophobicContact CG-CE1 4.39Å; W107-F164 HydrophobicContact CG-CE2 4.07Å; W107-F164 AromaticContact CG-CG 3.75Å; W107-F164 HydrophobicContact CG-CG 3.75Å; W107-F164 HydrophobicContact CG-CZ 4.4Å
108G90.6Very high91Very high3 Ų330.6 Ų30.63%0.03115%0.15CC..Hα-helixtrans-63.8-38.1175.200000115.5R106 L110 A112 W179R106-G108 PolarHBondContact O-N 3.49Å; G108-L110 VanDerWaalsContact C-N 3.34Å; G108-A112 PolarHBondContact O-N 2.58Å; G108-A112 VanDerWaalsContact O-N 3.16Å; G108-W179 VanDerWaalsContact CA-CZ3 3.49Å
109R91.5Very high90.8Very high6 Ų625.4 Ų25.42%0.02313%0.126CC..Hα-helixtrans-72-33.1174.2-68.8175.9168.1-172.6-7.9110.6L100 F101 D103 G104 R106 W107 A112 L113L100-R109 HydrophobicContact CD1-CB 4.22Å; L100-R109 HydrophobicContact CD1-CG 4.14Å; L100-R109 HydrophobicContact CG-CB 4.31Å; L100-R109 VanDerWaalsContact O-CD 3.27Å; L100-R109 WeakPolarHBondContact O-CD 3.44Å; L100-R109 PolarHBondContact O-NE 2.76Å; F101-R109 HydrophobicContact CD1-CB 4.02Å; F101-R109 HydrophobicContact CE1-CB 3.49Å; F101-R109 VanDerWaalsContact CE1-CB 3.49Å; F101-R109 HydrophobicContact CZ-CB 4.12Å; D103-R109 VanDerWaalsContact C-NH1 3.25Å; D103-R109 PolarHBondContact O-NH1 3.11Å; D103-R109 IonicContact OD2-NH2 3.21Å; D103-R109 PolarHBondContact OD2-NH2 2.56Å; D103-R109 VanDerWaalsContact OD2-NH2 3.12Å; G104-R109 WeakPolarHBondContact O-CD 3.1Å; G104-R109 PolarHBondContact O-NH1 2.9Å; R106-R109 HydrophobicContact CB-CG 4.49Å; R106-R109 WeakPolarHBondContact O-CA 3.39Å; R106-R109 WeakPolarHBondContact O-CB 3.35Å; R106-R109 PolarHBondContact O-N 3Å; W107-R109 PolarHBondContact O-N 3.24Å; R109-A112 WeakPolarHBondContact O-CB 3.24Å; R109-A112 PolarHBondContact O-N 2.65Å; R109-L113 PolarHBondContact O-N 3.13Å
110L94.6Very high90.8Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-61.5-49.3171.6-168.170.3000111.1M60 R106 W107 G108 A112 L113 Y114 T144 L148 I152 W158M60-L110 HydrophobicContact CE-CD2 4.36Å; M60-L110 HydrophobicContact CE-CG 4.4Å; R106-L110 PolarHBondContact O-N 2.9Å; W107-L110 HydrophobicContact CE3-CD2 3.61Å; W107-L110 HydrophobicContact CZ3-CD2 3.63Å; W107-L110 WeakPolarHBondContact O-CB 3.49Å; W107-L110 PolarHBondContact O-N 2.86Å; G108-L110 VanDerWaalsContact C-N 3.34Å; L110-A112 VanDerWaalsContact C-N 3.27Å; L110-A112 PolarHBondContact O-N 3.12Å; L110-L113 WeakPolarHBondContact O-CB 3.37Å; L110-L113 PolarHBondContact O-N 2.79Å; L110-L113 VanDerWaalsContact O-N 3.07Å; L110-Y114 HydrophobicContact CD1-CD2 4.45Å; L110-Y114 HydrophobicContact CD1-CE2 3.92Å; L110-Y114 HydrophobicContact CG-CD2 4.22Å; L110-Y114 HydrophobicContact CG-CE2 3.95Å; L110-Y114 WeakPolarHBondContact O-CD2 3.09Å; L110-Y114 PolarHBondContact O-N 3.04Å; L110-T144 HydrophobicContact CD1-CG2 4.16Å; L110-L148 HydrophobicContact CD1-CD1 3.4Å; L110-I152 HydrophobicContact CD1-CD1 4.34Å; L110-I152 HydrophobicContact CD2-CD1 4.1Å; L110-I152 HydrophobicContact CD2-CG1 4.5Å; L110-W158 HydrophobicContact CD2-CH2 3.9Å; L110-W158 HydrophobicContact CD2-CZ3 3.66Å
111V93.1Very high91Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-56.3-43.8175.3175.80000111.2M60 M63 F67 W107 L113 Y114 S115 F161 W179M60-V111 HydrophobicContact SD-CB 4.42Å; M60-V111 HydrophobicContact SD-CG2 4.02Å; M63-V111 HydrophobicContact CB-CG1 3.97Å; M63-V111 HydrophobicContact CB-CG2 3.81Å; F67-V111 HydrophobicContact CB-CG1 4.13Å; W107-V111 WeakPolarHBondContact O-CG2 3.35Å; W107-V111 PolarHBondContact O-N 2.71Å; V111-L113 VanDerWaalsContact C-N 3.29Å; V111-L113 PolarHBondContact O-N 2.96Å; V111-Y114 PolarHBondContact O-N 3.27Å; V111-S115 PolarHBondContact O-N 3.45Å; V111-S115 PolarHBondContact O-OG 2.94Å; V111-F161 HydrophobicContact CG2-CE2 3.71Å; V111-F161 HydrophobicContact CG2-CZ 3.9Å; V111-W179 HydrophobicContact CB-CH2 4.26Å; V111-W179 HydrophobicContact CB-CZ3 3.96Å; V111-W179 HydrophobicContact CG1-CH2 4.08Å; V111-W179 HydrophobicContact CG1-CZ3 4.24Å; V111-W179 HydrophobicContact CG2-CH2 4.24Å; V111-W179 HydrophobicContact CG2-CZ3 4.08Å
112A90.2Very high90.8Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-60.3-36.1178.100000113F67 L100 G108 R109 L110 F116 V187F67-A112 HydrophobicContact CD2-CB 4.49Å; F67-A112 HydrophobicContact CE1-CB 4.28Å; F67-A112 HydrophobicContact CE2-CB 3.72Å; F67-A112 HydrophobicContact CZ-CB 3.59Å; L100-A112 HydrophobicContact CD1-CB 4.37Å; L100-A112 HydrophobicContact CD2-CB 4.26Å; G108-A112 PolarHBondContact O-N 2.58Å; G108-A112 VanDerWaalsContact O-N 3.16Å; R109-A112 WeakPolarHBondContact O-CB 3.24Å; R109-A112 PolarHBondContact O-N 2.65Å; L110-A112 VanDerWaalsContact C-N 3.27Å; L110-A112 PolarHBondContact O-N 3.12Å; A112-F116 VanDerWaalsContact O-CB 3.25Å; A112-F116 WeakPolarHBondContact O-CB 3.48Å; A112-F116 PolarHBondContact O-N 2.92Å; A112-V187 HydrophobicContact CB-CG2 4.08Å
113L92.9Very high90.5Very high0 Ų017.3 Ų17.30%09%0.092CC..Hα-helixtrans-62.7-48.4173.7171.963.4000111.8F93 C97 L100 F101 R109 L110 V111 F116 G117 V140 F143 L148F93-L113 HydrophobicContact CE2-CD1 3.99Å; F93-L113 HydrophobicContact CZ-CD1 3.89Å; C97-L113 WeakPolarHBondContact SG-CD1 3.44Å; L100-L113 HydrophobicContact CD2-CB 4.12Å; F101-L113 HydrophobicContact CE2-CB 4.2Å; F101-L113 HydrophobicContact CE2-CD2 4.06Å; F101-L113 HydrophobicContact CZ-CB 4.17Å; F101-L113 HydrophobicContact CZ-CD2 4.29Å; R109-L113 PolarHBondContact O-N 3.13Å; L110-L113 WeakPolarHBondContact O-CB 3.37Å; L110-L113 PolarHBondContact O-N 2.79Å; L110-L113 VanDerWaalsContact O-N 3.07Å; V111-L113 VanDerWaalsContact C-N 3.29Å; V111-L113 PolarHBondContact O-N 2.96Å; L113-F116 WeakPolarHBondContact O-CB 3.36Å; L113-F116 PolarHBondContact O-N 2.94Å; L113-G117 PolarHBondContact O-N 3.41Å; L113-V140 HydrophobicContact CG-CG1 4.39Å; L113-F143 HydrophobicContact CD2-CD1 3.88Å; L113-L148 HydrophobicContact CD2-CD1 3.92Å
114Y94.8Very high90.4Very high3 Ų312.6 Ų12.61%0.0127%0.066CC..Hα-helixtrans-64.9-43.5179.4-80-95.8000111.5A25 I28 Y32 M60 L110 V111 F116 G117 G118 V140 W158A25-Y114 PolarHBondContact O-OH 2.99Å; I28-Y114 HydrophobicContact CB-CE1 3.99Å; I28-Y114 HydrophobicContact CG2-CD1 4.01Å; I28-Y114 HydrophobicContact CG2-CE1 3.51Å; Y32-Y114 WeakPolarHBondContact CD1-O 3.47Å; Y32-Y114 WeakPolarHBondContact CE1-O 2.95Å; M60-Y114 HydrophobicContact CE-CD2 3.58Å; M60-Y114 HydrophobicContact CE-CE2 3.77Å; M60-Y114 HydrophobicContact CE-CG 4Å; M60-Y114 HydrophobicContact CG-CD1 4.27Å; M60-Y114 HydrophobicContact CG-CG 4.12Å; M60-Y114 HydrophobicContact SD-CD2 4.02Å; M60-Y114 HydrophobicContact SD-CG 3.95Å; L110-Y114 HydrophobicContact CD1-CD2 4.45Å; L110-Y114 HydrophobicContact CD1-CE2 3.92Å; L110-Y114 HydrophobicContact CG-CD2 4.22Å; L110-Y114 HydrophobicContact CG-CE2 3.95Å; L110-Y114 WeakPolarHBondContact O-CD2 3.09Å; L110-Y114 PolarHBondContact O-N 3.04Å; V111-Y114 PolarHBondContact O-N 3.27Å; Y114-F116 VanDerWaalsContact C-N 3.32Å; Y114-F116 PolarHBondContact O-N 3.18Å; Y114-G117 PolarHBondContact O-N 3.44Å; Y114-G118 PolarHBondContact O-N 3.27Å; Y114-V140 HydrophobicContact CD1-CG1 3.89Å; Y114-V140 HydrophobicContact CD2-CG1 4.42Å; Y114-V140 HydrophobicContact CE1-CG1 3.79Å; Y114-V140 HydrophobicContact CE2-CG1 4.36Å; Y114-V140 HydrophobicContact CG-CG1 4.21Å; Y114-W158 HydrophobicContact CE2-CH2 4.46Å
115S91Very high90.3Very high0 Ų012 Ų120%06%0.055CC..Hα-helixtrans-60.2-40.6173.1-61.30000112.5Y32 G64 E68 V111 G118 C119Y32-S115 PolarHBondContact OH-OG 3.4Å; G64-S115 WeakPolarHBondContact CA-OG 3.19Å; E68-S115 WeakPolarHBondContact OE1-CB 3.21Å; V111-S115 PolarHBondContact O-N 3.45Å; V111-S115 PolarHBondContact O-OG 2.94Å; S115-G118 PolarHBondContact O-N 2.9Å; S115-C119 PolarHBondContact O-N 3.26Å
116F87.5Confident90Very high4 Ų416 Ų162%0.0187%0.073CC..Hα-helixtrans-61.8-47174.3171.8-124.2000111.8M78 F93 V96 A112 L113 Y114 G118 C119 L120 L191M78-F116 HydrophobicContact CE-CD2 3.48Å; M78-F116 VanDerWaalsContact CE-CD2 3.48Å; M78-F116 HydrophobicContact CE-CE2 3.46Å; M78-F116 VanDerWaalsContact CE-CE2 3.46Å; F93-F116 HydrophobicContact CB-CE1 4.42Å; F93-F116 HydrophobicContact CD2-CD1 4.01Å; F93-F116 AromaticContact CD2-CE1 3.48Å; F93-F116 HydrophobicContact CD2-CE1 3.48Å; F93-F116 VanDerWaalsContact CD2-CE1 3.48Å; F93-F116 HydrophobicContact CD2-CZ 4.4Å; F93-F116 HydrophobicContact CE2-CD1 4.15Å; F93-F116 HydrophobicContact CE2-CE1 4.08Å; F93-F116 HydrophobicContact CG-CE1 4.27Å; V96-F116 HydrophobicContact CB-CD1 4.39Å; V96-F116 HydrophobicContact CB-CE1 3.74Å; V96-F116 HydrophobicContact CB-CZ 3.97Å; V96-F116 HydrophobicContact CG1-CD1 3.9Å; V96-F116 HydrophobicContact CG1-CE1 3.72Å; V96-F116 HydrophobicContact CG1-CE2 4.44Å; V96-F116 HydrophobicContact CG1-CG 4.33Å; V96-F116 HydrophobicContact CG1-CZ 4.02Å; V96-F116 HydrophobicContact CG2-CE1 4.01Å; V96-F116 HydrophobicContact CG2-CE2 4.37Å; V96-F116 HydrophobicContact CG2-CZ 3.69Å; A112-F116 VanDerWaalsContact O-CB 3.25Å; A112-F116 WeakPolarHBondContact O-CB 3.48Å; A112-F116 PolarHBondContact O-N 2.92Å; L113-F116 WeakPolarHBondContact O-CB 3.36Å; L113-F116 PolarHBondContact O-N 2.94Å; Y114-F116 VanDerWaalsContact C-N 3.32Å; Y114-F116 PolarHBondContact O-N 3.18Å; F116-G118 PolarHBondContact O-N 2.89Å; F116-C119 PolarHBondContact O-N 3.28Å; F116-L120 HydrophobicContact CE2-CD1 4.26Å; F116-L120 HydrophobicContact CZ-CD1 4.29Å; F116-L120 HydrophobicContact CZ-CD2 4.45Å; F116-L120 WeakPolarHBondContact O-CB 3.38Å; F116-L120 PolarHBondContact O-N 3.01Å; F116-L191 HydrophobicContact CE2-CD2 4.11Å
117G91.6Very high89.7Confident0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-58.3-45175.100000112.8L113 Y114 C119 L120 A121 I136L113-G117 PolarHBondContact O-N 3.41Å; Y114-G117 PolarHBondContact O-N 3.44Å; G117-C119 PolarHBondContact O-N 3.27Å; G117-L120 PolarHBondContact O-N 3.02Å; G117-A121 WeakPolarHBondContact O-CB 3.41Å; G117-A121 PolarHBondContact O-N 3.17Å; G117-I136 WeakPolarHBondContact O-CG2 3.34Å
118G91.4Very high89.4Confident0 Ų016.4 Ų16.40%09%0.094CC..Hα-helixtrans-61.7-40.4175.500000113.4Y114 S115 F116 L122Y114-G118 PolarHBondContact O-N 3.27Å; S115-G118 PolarHBondContact O-N 2.9Å; F116-G118 PolarHBondContact O-N 2.89Å; G118-L122 WeakPolarHBondContact O-CB 3.4Å; G118-L122 PolarHBondContact O-N 3.42Å
119C86.4Confident89.3Confident10 Ų1017.6 Ų17.67%0.06810%0.099CC..Hα-helixtrans-64.6-44.6173.9-176.30000112F75 S115 F116 G117 A121 L122 E123F75-C119 HydrophobicContact CD1-CB 3.87Å; F75-C119 VanDerWaalsContact CD1-SG 3.56Å; F75-C119 HydrophobicContact CE1-CB 3.66Å; S115-C119 PolarHBondContact O-N 3.26Å; F116-C119 PolarHBondContact O-N 3.28Å; G117-C119 PolarHBondContact O-N 3.27Å; C119-A121 VanDerWaalsContact C-N 3.3Å; C119-A121 PolarHBondContact O-N 3.34Å; C119-L122 PolarHBondContact O-N 3.49Å; C119-E123 WeakPolarHBondContact O-CB 3.48Å; C119-E123 PolarHBondContact O-N 3.31Å
120L86.1Confident89.4Confident5 Ų520 Ų203%0.02612%0.115CC..Hα-helixtrans-61.9-41.3179.4-163.573.9000111.1M84 F93 F116 G117 C124 I136 W139M84-L120 HydrophobicContact CE-CD1 3.16Å; M84-L120 HydrophobicContact CE-CG 3.67Å; M84-L120 HydrophobicContact SD-CD1 3.55Å; M84-L120 VanDerWaalsContact SD-CD1 3.55Å; M84-L120 HydrophobicContact SD-CG 4.15Å; F93-L120 HydrophobicContact CB-CD2 4.35Å; F93-L120 HydrophobicContact CD2-CD2 4.16Å; F116-L120 HydrophobicContact CE2-CD1 4.26Å; F116-L120 HydrophobicContact CZ-CD1 4.29Å; F116-L120 HydrophobicContact CZ-CD2 4.45Å; F116-L120 WeakPolarHBondContact O-CB 3.38Å; F116-L120 PolarHBondContact O-N 3.01Å; G117-L120 PolarHBondContact O-N 3.02Å; L120-C124 PolarHBondContact O-N 3.18Å; L120-C124 VanDerWaalsContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.45Å; L120-C124 VanDerWaalsContact O-SG 3.36Å; L120-I136 HydrophobicContact CB-CD1 4.19Å; L120-I136 HydrophobicContact CB-CG2 4.34Å; L120-I136 HydrophobicContact CD2-CD1 4.02Å; L120-I136 HydrophobicContact CD2-CG1 3.97Å; L120-I136 HydrophobicContact CD2-CG2 4.23Å; L120-I136 HydrophobicContact CG-CD1 3.86Å; L120-I136 HydrophobicContact CG-CG1 4.38Å; L120-W139 HydrophobicContact CD2-CZ3 4.4Å
121A90.2Very high89.2Confident0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-64.8-47.3176.700000111.8I33 G117 C119 E123 C124 V125 V133 I136I33-A121 HydrophobicContact CG2-CB 3.7Å; G117-A121 WeakPolarHBondContact O-CB 3.41Å; G117-A121 PolarHBondContact O-N 3.17Å; C119-A121 VanDerWaalsContact C-N 3.3Å; C119-A121 PolarHBondContact O-N 3.34Å; A121-E123 VanDerWaalsContact C-N 3.32Å; A121-E123 PolarHBondContact O-N 3.19Å; A121-C124 PolarHBondContact O-N 3Å; A121-V125 WeakPolarHBondContact O-CG2 3.25Å; A121-V125 PolarHBondContact O-N 2.9Å; A121-V125 VanDerWaalsContact O-N 3.09Å; A121-V133 HydrophobicContact CB-CG1 4.34Å; A121-V133 HydrophobicContact CB-CG2 4.39Å; A121-I136 HydrophobicContact CB-CD1 4.25Å; A121-I136 HydrophobicContact CB-CG2 4.36Å
122L87.7Confident89.1Confident32 Ų3225.7 Ų25.717%0.16814%0.143CC..Hα-helixtrans-57.5-46.5176.5178.759.4000111.5L37 A40 F42 G118 C119 C124 V125 E126L37-L122 HydrophobicContact CD2-CB 4.28Å; L37-L122 HydrophobicContact CD2-CD1 4.2Å; A40-L122 HydrophobicContact CB-CD1 3.5Å; A40-L122 VanDerWaalsContact CB-CD1 3.5Å; A40-L122 HydrophobicContact CB-CD2 4.17Å; F42-L122 HydrophobicContact CD2-CD1 3.58Å; F42-L122 HydrophobicContact CE2-CD1 3.62Å; G118-L122 WeakPolarHBondContact O-CB 3.4Å; G118-L122 PolarHBondContact O-N 3.42Å; C119-L122 PolarHBondContact O-N 3.49Å; L122-C124 VanDerWaalsContact C-N 3.34Å; L122-C124 PolarHBondContact O-N 3.11Å; L122-V125 PolarHBondContact O-N 3.3Å; L122-E126 HydrophobicContact CD1-CG 4.28Å; L122-E126 WeakPolarHBondContact O-CG 3.39Å; L122-E126 PolarHBondContact O-N 3.2Å
123E82.9Confident89.3Confident1 Ų125.8 Ų25.81%0.00514%0.143CC..Hα-helixtrans-62.6-39179.4-176.4177.2-177.300112.8S79 I82 M84 C119 A121 K127S79-E123 VanDerWaalsContact O-OE1 3.04Å; I82-E123 VanDerWaalsContact CB-OE1 3.27Å; I82-E123 WeakPolarHBondContact CB-OE1 3.45Å; I82-E123 WeakPolarHBondContact CD1-OE2 3.46Å; M84-E123 HydrophobicContact CE-CB 4.25Å; M84-E123 HydrophobicContact CE-CG 4.17Å; C119-E123 WeakPolarHBondContact O-CB 3.48Å; C119-E123 PolarHBondContact O-N 3.31Å; A121-E123 VanDerWaalsContact C-N 3.32Å; A121-E123 PolarHBondContact O-N 3.19Å; E123-K127 HydrophobicContact CG-CD 4.12Å; E123-K127 WeakPolarHBondContact O-CB 3.34Å; E123-K127 WeakPolarHBondContact O-CG 3.09Å; E123-K127 PolarHBondContact O-N 2.72Å; E123-K127 VanDerWaalsContact O-N 3.11Å; E123-K127 IonicContact OE1-NZ 2.59Å; E123-K127 PolarHBondContact OE1-NZ 3.37Å
124C86.2Confident89.4Confident0 Ų027.3 Ų27.30%015%0.153CC..Hα-helixtrans-62.1-44.6174.1-760000111.8M84 L120 A121 L122 K127 G128 M129 M132 I136M84-C124 VanDerWaalsContact CE-SG 3.52Å; L120-C124 PolarHBondContact O-N 3.18Å; L120-C124 VanDerWaalsContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.45Å; L120-C124 VanDerWaalsContact O-SG 3.36Å; A121-C124 PolarHBondContact O-N 3Å; L122-C124 VanDerWaalsContact C-N 3.34Å; L122-C124 PolarHBondContact O-N 3.11Å; C124-K127 CarbonylContact O-C 3.36Å; C124-K127 PolarHBondContact O-N 2.89Å; C124-G128 PolarHBondContact O-N 3.28Å; C124-M129 HydrophobicContact CB-CB 4.4Å; C124-M129 CarbonylContact O-C 3.47Å; C124-M129 WeakPolarHBondContact O-CA 3.28Å; C124-M129 PolarHBondContact O-N 2.99Å; C124-M132 HydrophobicContact CB-CB 3.87Å; C124-M132 HydrophobicContact CB-CG 4.48Å; C124-I136 HydrophobicContact CB-CD1 4.46Å
125V89.5Confident89.5Confident20 Ų2029.2 Ų29.212%0.12117%0.168CC..Hα-helixtrans-65.1-44.5179.2177.50000111L37 F42 A121 L122 K127 G128 P130 V133L37-V125 HydrophobicContact CD1-CG2 4.46Å; L37-V125 HydrophobicContact CD2-CB 4.42Å; L37-V125 HydrophobicContact CD2-CG2 3.92Å; F42-V125 HydrophobicContact CB-CG1 4.04Å; F42-V125 HydrophobicContact CD1-CG1 3.31Å; F42-V125 HydrophobicContact CD2-CG1 4.35Å; F42-V125 HydrophobicContact CE1-CG1 3.75Å; F42-V125 HydrophobicContact CG-CG1 3.65Å; F42-V125 HydrophobicContact CZ-CG1 4.43Å; A121-V125 WeakPolarHBondContact O-CG2 3.25Å; A121-V125 PolarHBondContact O-N 2.9Å; A121-V125 VanDerWaalsContact O-N 3.09Å; L122-V125 PolarHBondContact O-N 3.3Å; V125-K127 PolarHBondContact O-N 3.43Å; V125-G128 PolarHBondContact O-N 3.01Å; V125-P130 HydrophobicContact CG2-CB 4.34Å; V125-V133 HydrophobicContact CG2-CG2 3.41Å; V125-V133 VanDerWaalsContact CG2-CG2 3.41Å
126E86.5Confident89.6Confident113 Ų11329.2 Ų29.253%0.52817%0.168SC..Hα-helixtrans-60.3-30.1176.3-73.3-179.3153.800112.7F42 L122 G128F42-E126 HydrophobicContact CE2-CG 3.96Å; F42-E126 HydrophobicContact CZ-CG 3.86Å; L122-E126 HydrophobicContact CD1-CG 4.28Å; L122-E126 WeakPolarHBondContact O-CG 3.39Å; L122-E126 PolarHBondContact O-N 3.2Å; E126-G128 VanDerWaalsContact C-N 3.31Å
127K85.5Confident90Very high91 Ų9129.1 Ų29.140%0.39617%0.167SC..THydrogen-bonded Turntrans-88.98.1176.4-70.7175.6178.5166.40113.8S79 I82 E123 C124 V125 M129S79-K127 PolarHBondContact O-NZ 3.03Å; I82-K127 PolarHBondContact O-NZ 2.94Å; E123-K127 HydrophobicContact CG-CD 4.12Å; E123-K127 WeakPolarHBondContact O-CB 3.34Å; E123-K127 WeakPolarHBondContact O-CG 3.09Å; E123-K127 PolarHBondContact O-N 2.72Å; E123-K127 VanDerWaalsContact O-N 3.11Å; E123-K127 IonicContact OE1-NZ 2.59Å; E123-K127 PolarHBondContact OE1-NZ 3.37Å; C124-K127 CarbonylContact O-C 3.36Å; C124-K127 PolarHBondContact O-N 2.89Å; V125-K127 PolarHBondContact O-N 3.43Å; K127-M129 HydrophobicContact CB-CE 3.77Å
128G87.5Confident90.3Very high57 Ų5732.2 Ų32.259%0.58818%0.184SC*.THydrogen-bonded Turntrans75.627.8176.900000114.3C124 V125 E126 P130C124-G128 PolarHBondContact O-N 3.28Å; V125-G128 PolarHBondContact O-N 3.01Å; E126-G128 VanDerWaalsContact C-N 3.31Å; G128-P130 WeakPolarHBondContact O-CD 3.32Å
129M89.3Confident90.5Very high27 Ų2734 Ų3413%0.13319%0.19CC..  trans-119.556.2175.5-60.7175.9-68.900111.8M84 P86 C124 K127 E131 M132M84-M129 HydrophobicContact CB-CE 4.06Å; M84-M129 HydrophobicContact CG-CE 4.3Å; P86-M129 HydrophobicContact CG-SD 3.73Å; C124-M129 HydrophobicContact CB-CB 4.4Å; C124-M129 CarbonylContact O-C 3.47Å; C124-M129 WeakPolarHBondContact O-CA 3.28Å; C124-M129 PolarHBondContact O-N 2.99Å; K127-M129 HydrophobicContact CB-CE 3.77Å; M129-E131 VanDerWaalsContact CA-OE2 3.31Å; M129-E131 WeakPolarHBondContact CA-OE2 3.44Å; M129-E131 PolarHBondContact O-N 2.96Å; M129-M132 HydrophobicContact CB-CG 3.97Å; M129-M132 WeakPolarHBondContact O-CB 3.07Å; M129-M132 PolarHBondContact O-N 3.47Å; M129-M132 VanDerWaalsContact O-N 3.16Å
130P92Very high91.1Very high56 Ų5633.5 Ų33.536%0.36419%0.187SC..THydrogen-bonded Turntrans-61.6-24.2-178.728.4-36.5000113.9V125 G128 M132 V133V125-P130 HydrophobicContact CG2-CB 4.34Å; G128-P130 WeakPolarHBondContact O-CD 3.32Å; P130-M132 PolarHBondContact O-N 3.37Å; P130-M132 VanDerWaalsContact O-N 3.12Å; P130-V133 WeakPolarHBondContact O-CB 3.4Å; P130-V133 VanDerWaalsContact O-CG2 3.26Å; P130-V133 WeakPolarHBondContact O-CG2 3.22Å; P130-V133 PolarHBondContact O-N 3.37Å; P130-V133 VanDerWaalsContact O-N 3.1Å
131E91.5Very high91.6Very high109 Ų10933.5 Ų33.551%0.50919%0.188SC..THydrogen-bonded Turntrans-60.9-20.2175.968.7-80.9-172.700113.3M129 V133M129-E131 VanDerWaalsContact CA-OE2 3.31Å; M129-E131 WeakPolarHBondContact CA-OE2 3.44Å; M129-E131 PolarHBondContact O-N 2.96Å; E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.93Å
132M90.6Very high91.9Very high12 Ų1237.8 Ų37.86%0.05921%0.209CC..Hα-helixtrans-74.6-20.1177.9-67.6-63.6-62.700113.2P86 A89 C124 M129 P130 S134 S135 I136 W139P86-M132 HydrophobicContact CB-CE 4.24Å; P86-M132 HydrophobicContact CB-SD 3.63Å; P86-M132 HydrophobicContact CG-SD 4.04Å; A89-M132 HydrophobicContact CB-CE 3.68Å; C124-M132 HydrophobicContact CB-CB 3.87Å; C124-M132 HydrophobicContact CB-CG 4.48Å; M129-M132 HydrophobicContact CB-CG 3.97Å; M129-M132 WeakPolarHBondContact O-CB 3.07Å; M129-M132 PolarHBondContact O-N 3.47Å; M129-M132 VanDerWaalsContact O-N 3.16Å; P130-M132 PolarHBondContact O-N 3.37Å; P130-M132 VanDerWaalsContact O-N 3.12Å; M132-S134 VanDerWaalsContact C-N 3.35Å; M132-S134 PolarHBondContact O-N 2.66Å; M132-S135 WeakPolarHBondContact O-CB 3.36Å; M132-S135 PolarHBondContact O-N 3.49Å; M132-I136 HydrophobicContact CB-CD1 4.3Å; M132-I136 VanDerWaalsContact O-CG1 3.31Å; M132-I136 WeakPolarHBondContact O-CG1 3.26Å; M132-I136 PolarHBondContact O-N 2.91Å; M132-W139 HydrophobicContact CE-CH2 3.61Å; M132-W139 HydrophobicContact CE-CZ2 4.37Å; M132-W139 HydrophobicContact CE-CZ3 4.42Å
133V94.3Very high92.4Very high1 Ų137.2 Ų37.21%0.00621%0.205CC..Hα-helixtrans-59.4-46.1-173.51780000111.2I33 L37 W44 A121 V125 P130 E131 S135 I136 A137I33-V133 HydrophobicContact CG2-CG1 3.65Å; L37-V133 HydrophobicContact CD1-CB 4.47Å; L37-V133 HydrophobicContact CD1-CG1 3.61Å; L37-V133 HydrophobicContact CD1-CG2 3.97Å; W44-V133 HydrophobicContact CD2-CG1 3.5Å; W44-V133 VanDerWaalsContact CE2-CG1 3.4Å; W44-V133 HydrophobicContact CE3-CG1 4Å; W44-V133 HydrophobicContact CG-CG1 3.83Å; W44-V133 HydrophobicContact CH2-CG1 4.29Å; W44-V133 HydrophobicContact CZ2-CG1 3.85Å; W44-V133 HydrophobicContact CZ3-CG1 4.35Å; A121-V133 HydrophobicContact CB-CG1 4.34Å; A121-V133 HydrophobicContact CB-CG2 4.39Å; V125-V133 HydrophobicContact CG2-CG2 3.41Å; V125-V133 VanDerWaalsContact CG2-CG2 3.41Å; P130-V133 WeakPolarHBondContact O-CB 3.4Å; P130-V133 VanDerWaalsContact O-CG2 3.26Å; P130-V133 WeakPolarHBondContact O-CG2 3.22Å; P130-V133 PolarHBondContact O-N 3.37Å; P130-V133 VanDerWaalsContact O-N 3.1Å; E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.93Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 3.13Å; V133-I136 PolarHBondContact O-N 2.93Å; V133-A137 PolarHBondContact O-N 3Å
134S95.9Very high93.1Very high32 Ų3237.2 Ų37.222%0.22421%0.205CC..Hα-helixtrans-63.5-41178.5-550000111.9W44 M132 I136 A137 D138W44-S134 PolarHBondContact NE1-OG 2.97Å; M132-S134 VanDerWaalsContact C-N 3.35Å; M132-S134 PolarHBondContact O-N 2.66Å; S134-I136 VanDerWaalsContact C-N 3.31Å; S134-I136 PolarHBondContact O-N 3.46Å; S134-A137 PolarHBondContact O-N 3.38Å; S134-D138 VanDerWaalsContact O-CG 3.31Å; S134-D138 PolarHBondContact O-N 2.89Å
135S95.1Very high93.5Very high44 Ų4441.6 Ų41.631%0.30823%0.226SC..Hα-helixtrans-60.9-41.8175.4-62.70000111.7M132 V133 D138 W139M132-S135 WeakPolarHBondContact O-CB 3.36Å; M132-S135 PolarHBondContact O-N 3.49Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 3.13Å; S135-D138 PolarHBondContact O-N 3.35Å; S135-W139 VanDerWaalsContact O-CD2 3.22Å; S135-W139 PolarHBondContact O-N 3.31Å; S135-W139 PolarHBondContact O-NE1 3.42Å
136I94Very high93.8Very high0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-67.2-42179.5-66.7165.5000111I33 G117 L120 A121 C124 M132 V133 S134 D138 W139 V140I33-I136 HydrophobicContact CD1-CG2 4.16Å; G117-I136 WeakPolarHBondContact O-CG2 3.34Å; L120-I136 HydrophobicContact CB-CD1 4.19Å; L120-I136 HydrophobicContact CB-CG2 4.34Å; L120-I136 HydrophobicContact CD2-CD1 4.02Å; L120-I136 HydrophobicContact CD2-CG1 3.97Å; L120-I136 HydrophobicContact CD2-CG2 4.23Å; L120-I136 HydrophobicContact CG-CD1 3.86Å; L120-I136 HydrophobicContact CG-CG1 4.38Å; A121-I136 HydrophobicContact CB-CD1 4.25Å; A121-I136 HydrophobicContact CB-CG2 4.36Å; C124-I136 HydrophobicContact CB-CD1 4.46Å; M132-I136 HydrophobicContact CB-CD1 4.3Å; M132-I136 VanDerWaalsContact O-CG1 3.31Å; M132-I136 WeakPolarHBondContact O-CG1 3.26Å; M132-I136 PolarHBondContact O-N 2.91Å; V133-I136 PolarHBondContact O-N 2.93Å; S134-I136 VanDerWaalsContact C-N 3.31Å; S134-I136 PolarHBondContact O-N 3.46Å; I136-D138 VanDerWaalsContact C-N 3.3Å; I136-D138 PolarHBondContact O-N 3.42Å; I136-W139 HydrophobicContact CB-CE3 4.48Å; I136-W139 HydrophobicContact CG1-CE3 3.98Å; I136-W139 HydrophobicContact CG1-CZ3 3.79Å; I136-W139 PolarHBondContact O-N 3.11Å; I136-V140 WeakPolarHBondContact O-CG2 3.39Å; I136-V140 PolarHBondContact O-N 3.08Å
137A96.7Very high94.2Very high1 Ų145.9 Ų45.91%0.00824%0.244CC..Hα-helixtrans-60.2-42.6175.500000111.6S29 I33 W44 V133 S134 A141S29-A137 WeakPolarHBondContact OG-CA 3.45Å; S29-A137 PolarHBondContact OG-O 3.16Å; I33-A137 VanDerWaalsContact CD1-CA 3.5Å; I33-A137 HydrophobicContact CD1-CB 3.73Å; W44-A137 HydrophobicContact CH2-CB 3.7Å; W44-A137 HydrophobicContact CZ2-CB 4.26Å; V133-A137 PolarHBondContact O-N 3Å; S134-A137 PolarHBondContact O-N 3.38Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 3.34Å
138D96.2Very high94.7Very high65 Ų6541.6 Ų41.635%0.34823%0.226SC..Hα-helixtrans-62.8-44174.8-70.5-20.6000111.4Y26 S134 S135 I136 V140 A141 M142Y26-D138 WeakPolarHBondContact CE2-OD1 3.41Å; S134-D138 VanDerWaalsContact O-CG 3.31Å; S134-D138 PolarHBondContact O-N 2.89Å; S135-D138 PolarHBondContact O-N 3.35Å; I136-D138 VanDerWaalsContact C-N 3.3Å; I136-D138 PolarHBondContact O-N 3.42Å; D138-V140 PolarHBondContact O-N 3.42Å; D138-A141 PolarHBondContact O-N 3.3Å; D138-M142 VanDerWaalsContact O-CB 3.28Å; D138-M142 WeakPolarHBondContact O-CB 3.31Å; D138-M142 VanDerWaalsContact O-CG 3.24Å; D138-M142 WeakPolarHBondContact O-CG 3.02Å; D138-M142 PolarHBondContact O-N 3.39Å
139W97.2Very high95Very high37 Ų3739 Ų3914%0.1420%0.198CC..Hα-helixtrans-63.7-41.4-179.9-57.5-20.8000112.9A89 Y90 F93 L120 M132 S135 I136 F143A89-W139 HydrophobicContact CB-CH2 3.69Å; A89-W139 HydrophobicContact CB-CZ3 3.86Å; Y90-W139 HydrophobicContact CD2-CB 4.42Å; Y90-W139 AromaticContact CD2-CD1 3.66Å; Y90-W139 AromaticContact CD2-CD2 3.66Å; Y90-W139 HydrophobicContact CD2-CD2 3.66Å; Y90-W139 AromaticContact CD2-CE2 3.7Å; Y90-W139 HydrophobicContact CD2-CE3 4.31Å; Y90-W139 AromaticContact CD2-CG 3.67Å; Y90-W139 HydrophobicContact CD2-CG 3.67Å; Y90-W139 HydrophobicContact CD2-CZ2 4.39Å; Y90-W139 AromaticContact CD2-NE1 3.68Å; Y90-W139 AromaticContact CE2-CD1 3.98Å; Y90-W139 HydrophobicContact CE2-CG 4.12Å; Y90-W139 HydrophobicContact CG-CD2 4.45Å; Y90-W139 HydrophobicContact CG-CZ2 4.45Å; F93-W139 HydrophobicContact CB-CE3 4.13Å; F93-W139 HydrophobicContact CD1-CB 3.87Å; F93-W139 HydrophobicContact CD1-CE3 4.44Å; F93-W139 HydrophobicContact CE1-CB 3.6Å; F93-W139 HydrophobicContact CE2-CB 4.48Å; F93-W139 HydrophobicContact CG-CB 4.44Å; F93-W139 HydrophobicContact CG-CE3 4.12Å; F93-W139 HydrophobicContact CZ-CB 3.93Å; L120-W139 HydrophobicContact CD2-CZ3 4.4Å; M132-W139 HydrophobicContact CE-CH2 3.61Å; M132-W139 HydrophobicContact CE-CZ2 4.37Å; M132-W139 HydrophobicContact CE-CZ3 4.42Å; S135-W139 VanDerWaalsContact O-CD2 3.22Å; S135-W139 PolarHBondContact O-N 3.31Å; S135-W139 PolarHBondContact O-NE1 3.42Å; I136-W139 HydrophobicContact CB-CE3 4.48Å; I136-W139 HydrophobicContact CG1-CE3 3.98Å; I136-W139 HydrophobicContact CG1-CZ3 3.79Å; I136-W139 PolarHBondContact O-N 3.11Å; W139-F143 VanDerWaalsContact O-CB 3.23Å; W139-F143 WeakPolarHBondContact O-CB 3.3Å; W139-F143 PolarHBondContact O-N 3.48Å
140V97.4Very high95.2Very high1 Ų141.6 Ų41.61%0.00621%0.213CC..Hα-helixtrans-63.8-43.7175.3171.50000110.7S29 F93 L113 Y114 I136 D138 T144S29-V140 WeakPolarHBondContact OG-CB 3.39Å; F93-V140 HydrophobicContact CE2-CG2 3.72Å; F93-V140 HydrophobicContact CZ-CG2 3.91Å; L113-V140 HydrophobicContact CG-CG1 4.39Å; Y114-V140 HydrophobicContact CD1-CG1 3.89Å; Y114-V140 HydrophobicContact CD2-CG1 4.42Å; Y114-V140 HydrophobicContact CE1-CG1 3.79Å; Y114-V140 HydrophobicContact CE2-CG1 4.36Å; Y114-V140 HydrophobicContact CG-CG1 4.21Å; I136-V140 WeakPolarHBondContact O-CG2 3.39Å; I136-V140 PolarHBondContact O-N 3.08Å; D138-V140 PolarHBondContact O-N 3.42Å; V140-T144 WeakPolarHBondContact O-CB 3.46Å; V140-T144 PolarHBondContact O-N 3.49Å; V140-T144 VanDerWaalsContact O-N 3.09Å; V140-T144 PolarHBondContact O-OG1 3.05Å
141A97.2Very high95.4Very high5 Ų541.6 Ų41.64%0.04121%0.206CC..Hα-helixtrans-64.4-51.6178.500000111.7Y26 A137 D138 F143 T144 E145Y26-A141 HydrophobicContact CD2-CB 3.99Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 3.34Å; D138-A141 PolarHBondContact O-N 3.3Å; A141-F143 PolarHBondContact O-N 3.43Å; A141-T144 WeakPolarHBondContact O-CB 3.5Å; A141-T144 PolarHBondContact O-N 3.1Å; A141-E145 WeakPolarHBondContact O-CB 3.36Å; A141-E145 PolarHBondContact O-N 3.19Å
142M97Very high95.7Very high89 Ų8936.4 Ų36.444%0.43818%0.182SC..Hα-helixtrans-60.4-45.8179.2-73.5-178.169.300111.6D138 T144 E145 E146D138-M142 VanDerWaalsContact O-CB 3.28Å; D138-M142 WeakPolarHBondContact O-CB 3.31Å; D138-M142 VanDerWaalsContact O-CG 3.24Å; D138-M142 WeakPolarHBondContact O-CG 3.02Å; D138-M142 PolarHBondContact O-N 3.39Å; M142-T144 VanDerWaalsContact C-N 3.29Å; M142-T144 PolarHBondContact O-N 3.05Å; M142-E145 PolarHBondContact O-N 3.41Å; M142-E146 WeakPolarHBondContact O-CB 3.33Å; M142-E146 WeakPolarHBondContact O-CG 3.3Å; M142-E146 PolarHBondContact O-N 3.39Å
143F97.2Very high95.8Very high21 Ų2137.1 Ų37.19%0.09219%0.188CC..Hα-helixtrans-62.1-40.6177.8-170.6-86000111.3F93 L94 C97 F101 L113 W139 A141 Q147 L148F93-F143 HydrophobicContact CE1-CB 4.33Å; L94-F143 HydrophobicContact CD1-CD2 4.12Å; L94-F143 HydrophobicContact CD1-CE2 4.02Å; C97-F143 HydrophobicContact CB-CD1 4.18Å; C97-F143 HydrophobicContact CB-CD2 3.82Å; C97-F143 HydrophobicContact CB-CE1 3.84Å; C97-F143 HydrophobicContact CB-CE2 3.42Å; C97-F143 VanDerWaalsContact CB-CE2 3.42Å; C97-F143 HydrophobicContact CB-CG 4.18Å; C97-F143 HydrophobicContact CB-CZ 3.45Å; C97-F143 VanDerWaalsContact CB-CZ 3.45Å; F101-F143 AromaticContact CD2-CE1 3.5Å; F101-F143 HydrophobicContact CD2-CE1 3.5Å; F101-F143 VanDerWaalsContact CD2-CE1 3.5Å; F101-F143 AromaticContact CD2-CZ 3.96Å; F101-F143 HydrophobicContact CD2-CZ 3.96Å; F101-F143 HydrophobicContact CE2-CD1 4.39Å; F101-F143 AromaticContact CE2-CE1 3.69Å; F101-F143 HydrophobicContact CE2-CE1 3.69Å; F101-F143 HydrophobicContact CG-CE1 4.42Å; L113-F143 HydrophobicContact CD2-CD1 3.88Å; W139-F143 VanDerWaalsContact O-CB 3.23Å; W139-F143 WeakPolarHBondContact O-CB 3.3Å; W139-F143 PolarHBondContact O-N 3.48Å; A141-F143 PolarHBondContact O-N 3.43Å; F143-Q147 HydrophobicContact CD1-CB 4.3Å; F143-Q147 HydrophobicContact CD1-CG 4.49Å; F143-Q147 HydrophobicContact CD2-CG 3.93Å; F143-Q147 HydrophobicContact CE1-CB 3.98Å; F143-Q147 HydrophobicContact CE1-CG 4.31Å; F143-Q147 HydrophobicContact CE2-CB 4.29Å; F143-Q147 HydrophobicContact CE2-CG 3.74Å; F143-Q147 HydrophobicContact CG-CG 4.3Å; F143-Q147 HydrophobicContact CZ-CB 3.97Å; F143-Q147 HydrophobicContact CZ-CG 3.93Å; F143-Q147 VanDerWaalsContact O-CB 3.28Å; F143-Q147 WeakPolarHBondContact O-CB 3.32Å; F143-Q147 PolarHBondContact O-N 2.93Å; F143-L148 HydrophobicContact CD1-CD1 4.07Å; F143-L148 HydrophobicContact CD1-CG 4.19Å; F143-L148 HydrophobicContact CE1-CD1 4.13Å; F143-L148 HydrophobicContact CE1-CD2 4.05Å; F143-L148 HydrophobicContact CE1-CG 4.08Å
144T97.5Very high95.8Very high0 Ų044.6 Ų44.60%022%0.223CC..Iπ-helixtrans-65-43.5176.8-58.30000111.6A25 L110 V140 A141 M142 L148 S149 I152 W158A25-T144 HydrophobicContact CB-CG2 3.62Å; L110-T144 HydrophobicContact CD1-CG2 4.16Å; V140-T144 WeakPolarHBondContact O-CB 3.46Å; V140-T144 PolarHBondContact O-N 3.49Å; V140-T144 VanDerWaalsContact O-N 3.09Å; V140-T144 PolarHBondContact O-OG1 3.05Å; A141-T144 WeakPolarHBondContact O-CB 3.5Å; A141-T144 PolarHBondContact O-N 3.1Å; M142-T144 VanDerWaalsContact C-N 3.29Å; M142-T144 PolarHBondContact O-N 3.05Å; T144-L148 HydrophobicContact CG2-CB 4.39Å; T144-L148 CarbonylContact O-C 3.59Å; T144-L148 WeakPolarHBondContact O-CA 3.29Å; T144-L148 WeakPolarHBondContact O-CB 3.11Å; T144-L148 PolarHBondContact O-N 3.09Å; T144-L148 VanDerWaalsContact O-N 3.11Å; T144-S149 PolarHBondContact O-N 3.35Å; T144-I152 HydrophobicContact CG2-CD1 3.69Å; T144-W158 HydrophobicContact CG2-CH2 4.11Å; T144-W158 HydrophobicContact CG2-CZ2 4.1Å
145E95.7Very high95.8Very high92 Ų9246.2 Ų46.243%0.4323%0.229SC..Iπ-helixtrans-64.7-49.8176.8174173.1-171.100112.3A22 A141 M142 S149A22-E145 HydrophobicContact CB-CB 4.24Å; A22-E145 HydrophobicContact CB-CG 3.65Å; A141-E145 WeakPolarHBondContact O-CB 3.36Å; A141-E145 PolarHBondContact O-N 3.19Å; M142-E145 PolarHBondContact O-N 3.41Å; E145-S149 WeakPolarHBondContact O-CB 3.19Å; E145-S149 PolarHBondContact O-OG 3.46Å
146E94.9Very high95.7Very high107 Ų10746.4 Ų46.450%0.524%0.238SC..Iπ-helixtrans-77.7-41.9-171.9-68.3-179.1179.300112.2M142M142-E146 WeakPolarHBondContact O-CB 3.33Å; M142-E146 WeakPolarHBondContact O-CG 3.3Å; M142-E146 PolarHBondContact O-N 3.39Å
147Q95.1Very high95.8Very high116 Ų11646.8 Ų46.854%0.54224%0.241SC..Iπ-helixtrans-103.8-29.7-169.1-53.2-58.9-38.800113.3F143F143-Q147 HydrophobicContact CD1-CB 4.3Å; F143-Q147 HydrophobicContact CD1-CG 4.49Å; F143-Q147 HydrophobicContact CD2-CG 3.93Å; F143-Q147 HydrophobicContact CE1-CB 3.98Å; F143-Q147 HydrophobicContact CE1-CG 4.31Å; F143-Q147 HydrophobicContact CE2-CB 4.29Å; F143-Q147 HydrophobicContact CE2-CG 3.74Å; F143-Q147 HydrophobicContact CG-CG 4.3Å; F143-Q147 HydrophobicContact CZ-CB 3.97Å; F143-Q147 HydrophobicContact CZ-CG 3.93Å; F143-Q147 VanDerWaalsContact O-CB 3.28Å; F143-Q147 WeakPolarHBondContact O-CB 3.32Å; F143-Q147 PolarHBondContact O-N 2.93Å
148L95.9Very high95.7Very high2 Ų247.7 Ų47.71%0.0125%0.245CC..Iπ-helixtrans-109.9-18.1-169.7-48.4-178.2000113.1F101 V105 L110 L113 F143 T144 N150 W151 I152F101-L148 HydrophobicContact CD1-CD2 3.89Å; F101-L148 HydrophobicContact CD2-CD2 4.26Å; F101-L148 HydrophobicContact CE1-CD1 3.99Å; F101-L148 HydrophobicContact CE1-CD2 3.95Å; F101-L148 HydrophobicContact CE2-CD1 3.94Å; F101-L148 HydrophobicContact CE2-CD2 4.34Å; F101-L148 HydrophobicContact CG-CD2 4.04Å; F101-L148 HydrophobicContact CZ-CD1 3.58Å; F101-L148 HydrophobicContact CZ-CD2 4.19Å; V105-L148 HydrophobicContact CG1-CD2 4.03Å; V105-L148 HydrophobicContact CG2-CD2 3.61Å; L110-L148 HydrophobicContact CD1-CD1 3.4Å; L113-L148 HydrophobicContact CD2-CD1 3.92Å; F143-L148 HydrophobicContact CD1-CD1 4.07Å; F143-L148 HydrophobicContact CD1-CG 4.19Å; F143-L148 HydrophobicContact CE1-CD1 4.13Å; F143-L148 HydrophobicContact CE1-CD2 4.05Å; F143-L148 HydrophobicContact CE1-CG 4.08Å; T144-L148 HydrophobicContact CG2-CB 4.39Å; T144-L148 CarbonylContact O-C 3.59Å; T144-L148 WeakPolarHBondContact O-CA 3.29Å; T144-L148 WeakPolarHBondContact O-CB 3.11Å; T144-L148 PolarHBondContact O-N 3.09Å; T144-L148 VanDerWaalsContact O-N 3.11Å; L148-N150 VanDerWaalsContact C-N 3.33Å; L148-N150 PolarHBondContact O-N 2.9Å; L148-W151 PolarHBondContact O-N 3.34Å; L148-W151 VanDerWaalsContact O-N 3.16Å; L148-I152 HydrophobicContact CB-CD1 3.97Å; L148-I152 HydrophobicContact CB-CG1 4.45Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.27Å; L148-I152 PolarHBondContact O-N 2.99Å
149S94.9Very high95.7Very high1 Ų150 Ų501%0.00726%0.257CS..Hα-helixtrans-59.6-37.3-171.861.80000114.4R18 T144 E145 I152 S153R18-S149 PolarHBondContact NE-OG 2.95Å; T144-S149 PolarHBondContact O-N 3.35Å; E145-S149 WeakPolarHBondContact O-CB 3.19Å; E145-S149 PolarHBondContact O-OG 3.46Å; S149-I152 PolarHBondContact O-N 3.48Å; S149-S153 WeakPolarHBondContact O-CB 3.36Å; S149-S153 PolarHBondContact O-N 3.04Å; S149-S153 PolarHBondContact O-OG 3.26Å
150N93.4Very high95.6Very high83 Ų8348.7 Ų48.744%0.44426%0.255SS..Hα-helixtrans-62.2-51.4176.7-70.9-16000110.7R18 L148 I152 S153 E154R18-N150 PolarHBondContact NE-OD1 3.22Å; L148-N150 VanDerWaalsContact C-N 3.33Å; L148-N150 PolarHBondContact O-N 2.9Å; N150-I152 PolarHBondContact O-N 2.72Å; N150-S153 PolarHBondContact O-N 3.24Å; N150-E154 WeakPolarHBondContact O-CG 3.41Å; N150-E154 PolarHBondContact O-N 2.77Å
151W95.6Very high95.6Very high55 Ų5548.7 Ų48.721%0.20826%0.255CS..Hα-helixtrans-63.4-42.2179.1-178.789.9000111.7V105 W107 L148 S153 E154 N155V105-W151 HydrophobicContact CB-CB 4.07Å; V105-W151 HydrophobicContact CB-CD2 3.57Å; V105-W151 HydrophobicContact CB-CE3 4.02Å; V105-W151 HydrophobicContact CB-CG 3.57Å; V105-W151 HydrophobicContact CG1-CB 4.27Å; V105-W151 HydrophobicContact CG1-CD2 3.44Å; V105-W151 VanDerWaalsContact CG1-CD2 3.44Å; V105-W151 HydrophobicContact CG1-CE3 3.32Å; V105-W151 HydrophobicContact CG1-CG 3.87Å; V105-W151 HydrophobicContact CG1-CZ3 3.9Å; V105-W151 HydrophobicContact CG2-CB 4.28Å; V105-W151 HydrophobicContact CG2-CG 4.27Å; V105-W151 VanDerWaalsContact O-CE2 3.24Å; V105-W151 WeakPolarHBondContact O-CZ2 3.43Å; V105-W151 PolarHBondContact O-NE1 2.96Å; W107-W151 AromaticContact CD1-CH2 3.83Å; W107-W151 AromaticContact CD2-CH2 3.64Å; W107-W151 HydrophobicContact CD2-CH2 3.64Å; W107-W151 AromaticContact CD2-CZ3 3.57Å; W107-W151 HydrophobicContact CD2-CZ3 3.57Å; W107-W151 AromaticContact CE2-CH2 3.66Å; W107-W151 AromaticContact CE2-CZ3 3.68Å; W107-W151 HydrophobicContact CE3-CH2 4.19Å; W107-W151 AromaticContact CE3-CZ3 3.65Å; W107-W151 HydrophobicContact CE3-CZ3 3.65Å; W107-W151 AromaticContact CG-CH2 3.77Å; W107-W151 HydrophobicContact CG-CH2 3.77Å; W107-W151 HydrophobicContact CG-CZ3 4.17Å; W107-W151 AromaticContact CH2-CZ3 3.95Å; W107-W151 HydrophobicContact CH2-CZ3 3.95Å; W107-W151 HydrophobicContact CZ2-CH2 4.22Å; W107-W151 AromaticContact CZ2-CZ3 3.89Å; W107-W151 HydrophobicContact CZ2-CZ3 3.89Å; W107-W151 AromaticContact CZ3-CZ3 3.83Å; W107-W151 HydrophobicContact CZ3-CZ3 3.83Å; W107-W151 AromaticContact NE1-CH2 3.79Å; L148-W151 PolarHBondContact O-N 3.34Å; L148-W151 VanDerWaalsContact O-N 3.16Å; W151-S153 VanDerWaalsContact C-N 3.31Å; W151-S153 PolarHBondContact O-N 2.85Å; W151-E154 PolarHBondContact O-N 3.19Å; W151-N155 HydrophobicContact CH2-CB 4.27Å; W151-N155 HydrophobicContact CZ2-CB 4.36Å; W151-N155 HydrophobicContact CZ3-CB 4.4Å; W151-N155 PolarHBondContact NE1-ND2 3Å; W151-N155 WeakPolarHBondContact O-CB 3.41Å; W151-N155 PolarHBondContact O-N 3.48Å; W151-N155 PolarHBondContact O-ND2 3.24Å
152I97.1Very high95.5Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-57.9-47175.8-69.6171.1000109.8V21 W107 L110 T144 L148 S149 N150 N155 G156 G157 W158V21-I152 HydrophobicContact CB-CG2 4.21Å; V21-I152 HydrophobicContact CG1-CB 3.93Å; V21-I152 HydrophobicContact CG1-CD1 4.1Å; V21-I152 HydrophobicContact CG1-CG2 3.51Å; V21-I152 HydrophobicContact CG2-CB 4.46Å; V21-I152 HydrophobicContact CG2-CG2 3.57Å; W107-I152 HydrophobicContact CH2-CB 4.18Å; W107-I152 HydrophobicContact CH2-CG1 4.09Å; W107-I152 HydrophobicContact CH2-CG2 3.85Å; W107-I152 HydrophobicContact CZ3-CB 4.46Å; W107-I152 HydrophobicContact CZ3-CG1 3.88Å; W107-I152 HydrophobicContact CZ3-CG2 4.24Å; L110-I152 HydrophobicContact CD1-CD1 4.34Å; L110-I152 HydrophobicContact CD2-CD1 4.1Å; L110-I152 HydrophobicContact CD2-CG1 4.5Å; T144-I152 HydrophobicContact CG2-CD1 3.69Å; L148-I152 HydrophobicContact CB-CD1 3.97Å; L148-I152 HydrophobicContact CB-CG1 4.45Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.27Å; L148-I152 PolarHBondContact O-N 2.99Å; S149-I152 PolarHBondContact O-N 3.48Å; N150-I152 PolarHBondContact O-N 2.72Å; I152-N155 CarbonylContact O-C 3.54Å; I152-N155 PolarHBondContact O-N 2.81Å; I152-N155 VanDerWaalsContact O-N 3.16Å; I152-G156 PolarHBondContact O-N 3.03Å; I152-G157 VanDerWaalsContact O-CA 3.26Å; I152-G157 WeakPolarHBondContact O-CA 3.43Å; I152-G157 PolarHBondContact O-N 2.91Å; I152-W158 HydrophobicContact CD1-CH2 4.11Å; I152-W158 HydrophobicContact CD1-CZ2 4.21Å
153S94.3Very high95.4Very high28 Ų2850.1 Ų50.120%0.19626%0.26CS..Hα-helixtrans-62.6-43.6178.8-560000112.1S149 N150 W151 N155 G156S149-S153 WeakPolarHBondContact O-CB 3.36Å; S149-S153 PolarHBondContact O-N 3.04Å; S149-S153 PolarHBondContact O-OG 3.26Å; N150-S153 PolarHBondContact O-N 3.24Å; W151-S153 VanDerWaalsContact C-N 3.31Å; W151-S153 PolarHBondContact O-N 2.85Å; S153-N155 PolarHBondContact O-N 3.46Å; S153-G156 PolarHBondContact O-N 3.46Å
154E93.5Very high95.2Very high158 Ų15850 Ų5074%0.73826%0.26SS*.Hα-helixtrans-64.7-24175.9-72.6173.8175.700113.2N150 W151N150-E154 WeakPolarHBondContact O-CG 3.41Å; N150-E154 PolarHBondContact O-N 2.77Å; W151-E154 PolarHBondContact O-N 3.19Å
155N95.2Very high94.9Very high66 Ų6652.2 Ų52.235%0.35327%0.268SS..THydrogen-bonded Turntrans-100.926.6179.7-73.3-97.9000112.8W107 W151 I152 S153 G160W107-N155 HydrophobicContact CZ2-CB 3.78Å; W151-N155 HydrophobicContact CH2-CB 4.27Å; W151-N155 HydrophobicContact CZ2-CB 4.36Å; W151-N155 HydrophobicContact CZ3-CB 4.4Å; W151-N155 PolarHBondContact NE1-ND2 3Å; W151-N155 WeakPolarHBondContact O-CB 3.41Å; W151-N155 PolarHBondContact O-N 3.48Å; W151-N155 PolarHBondContact O-ND2 3.24Å; I152-N155 CarbonylContact O-C 3.54Å; I152-N155 PolarHBondContact O-N 2.81Å; I152-N155 VanDerWaalsContact O-N 3.16Å; S153-N155 PolarHBondContact O-N 3.46Å; N155-G160 WeakPolarHBondContact O-CA 3.44Å
156G93.9Very high94.7Very high48 Ų4851.3 Ų51.350%0.49526%0.264SS..THydrogen-bonded Turntrans87.917.2174.600000114.5I152 S153 G160I152-G156 PolarHBondContact O-N 3.03Å; S153-G156 PolarHBondContact O-N 3.46Å; G156-G160 PolarHBondContact O-N 2.92Å; G156-G160 VanDerWaalsContact O-N 3.08Å
157G95.2Very high94.4Very high7 Ų753.6 Ų53.67%0.07227%0.268CS..Hα-helixtrans65.1-155.4-178.700000112.6W107 I152 D159 G160W107-G157 VanDerWaalsContact CH2-O 3.29Å; W107-G157 WeakPolarHBondContact CH2-O 3.43Å; I152-G157 VanDerWaalsContact O-CA 3.26Å; I152-G157 WeakPolarHBondContact O-CA 3.43Å; I152-G157 PolarHBondContact O-N 2.91Å; G157-D159 PolarHBondContact O-N 3.43Å; G157-G160 PolarHBondContact O-N 3.38Å
158W96.3Very high93.8Very high20 Ų2050 Ų508%0.07625%0.249CC..Hα-helixtrans-67.2-23.5175.7-70.6119.4000113.3V21 A25 I28 T56 M60 L110 Y114 T144 I152 G160 F161 I162V21-W158 PolarHBondContact O-NE1 3.09Å; A25-W158 HydrophobicContact CB-CZ2 4.01Å; I28-W158 HydrophobicContact CD1-CD2 3.59Å; I28-W158 HydrophobicContact CD1-CE3 3.62Å; I28-W158 HydrophobicContact CD1-CG 4.28Å; I28-W158 HydrophobicContact CD1-CH2 3.74Å; I28-W158 HydrophobicContact CD1-CZ2 3.72Å; I28-W158 HydrophobicContact CD1-CZ3 3.68Å; T56-W158 HydrophobicContact CG2-CB 3.8Å; T56-W158 HydrophobicContact CG2-CD2 3.94Å; T56-W158 HydrophobicContact CG2-CE3 3.57Å; T56-W158 HydrophobicContact CG2-CG 4.07Å; T56-W158 HydrophobicContact CG2-CZ3 4.41Å; M60-W158 HydrophobicContact CE-CZ3 4.33Å; L110-W158 HydrophobicContact CD2-CH2 3.9Å; L110-W158 HydrophobicContact CD2-CZ3 3.66Å; Y114-W158 HydrophobicContact CE2-CH2 4.46Å; T144-W158 HydrophobicContact CG2-CH2 4.11Å; T144-W158 HydrophobicContact CG2-CZ2 4.1Å; I152-W158 HydrophobicContact CD1-CH2 4.11Å; I152-W158 HydrophobicContact CD1-CZ2 4.21Å; W158-G160 VanDerWaalsContact C-N 3.33Å; W158-F161 HydrophobicContact CE3-CB 4.23Å; W158-F161 WeakPolarHBondContact O-CB 3.38Å; W158-F161 PolarHBondContact O-N 3.27Å; W158-I162 PolarHBondContact O-N 2.89Å; W158-I162 VanDerWaalsContact O-N 3.13Å
159D95.2Very high93.2Very high115 Ų11556.7 Ų56.762%0.61528%0.279SS*.Hα-helixtrans-65.7-38.2172.1-67.6-32.8000111.3G157 F161 I162 E163G157-D159 PolarHBondContact O-N 3.43Å; D159-F161 PolarHBondContact O-N 3.05Å; D159-I162 WeakPolarHBondContact O-CA 3.45Å; D159-I162 WeakPolarHBondContact O-CB 3.44Å; D159-I162 PolarHBondContact O-N 2.97Å; D159-E163 PolarHBondContact O-N 2.59Å
160G96Very high92.7Very high9 Ų963.1 Ų63.19%0.09331%0.313CS..Hα-helixtrans-60.2-32171.700000113.6N155 G156 G157 W158 F164N155-G160 WeakPolarHBondContact O-CA 3.44Å; G156-G160 PolarHBondContact O-N 2.92Å; G156-G160 VanDerWaalsContact O-N 3.08Å; G157-G160 PolarHBondContact O-N 3.38Å; W158-G160 VanDerWaalsContact C-N 3.33Å; G160-F164 WeakPolarHBondContact O-CB 3.45Å; G160-F164 PolarHBondContact O-N 3.46Å
161F96.5Very high91.7Very high0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-69.6-39.5171.6-179.9-109.3000112.3T56 C59 M60 M63 W107 V111 W158 D159 F164 Y165T56-F161 HydrophobicContact CG2-CD1 3.84Å; C59-F161 HydrophobicContact CB-CD1 4.39Å; C59-F161 HydrophobicContact CB-CE1 3.95Å; M60-F161 HydrophobicContact CB-CE1 4.1Å; M60-F161 HydrophobicContact CB-CZ 4.42Å; M60-F161 HydrophobicContact CE-CE1 3.89Å; M60-F161 HydrophobicContact CE-CE2 4.2Å; M60-F161 HydrophobicContact CE-CZ 3.66Å; M60-F161 HydrophobicContact SD-CE1 4.31Å; M60-F161 HydrophobicContact SD-CZ 3.81Å; M63-F161 HydrophobicContact CB-CZ 4.49Å; M63-F161 HydrophobicContact CG-CZ 4.36Å; W107-F161 HydrophobicContact CB-CD2 4.21Å; W107-F161 HydrophobicContact CD2-CB 4.2Å; W107-F161 AromaticContact CD2-CD2 3.91Å; W107-F161 HydrophobicContact CD2-CD2 3.91Å; W107-F161 HydrophobicContact CE3-CB 3.85Å; W107-F161 AromaticContact CE3-CD2 3.56Å; W107-F161 HydrophobicContact CE3-CD2 3.56Å; W107-F161 HydrophobicContact CE3-CG 4.11Å; W107-F161 HydrophobicContact CG-CD2 4.22Å; W107-F161 HydrophobicContact CH2-CB 3.98Å; W107-F161 HydrophobicContact CZ2-CB 4.31Å; W107-F161 HydrophobicContact CZ3-CB 3.74Å; W107-F161 HydrophobicContact CZ3-CD2 4.23Å; W107-F161 HydrophobicContact CZ3-CG 4.35Å; V111-F161 HydrophobicContact CG2-CE2 3.71Å; V111-F161 HydrophobicContact CG2-CZ 3.9Å; W158-F161 HydrophobicContact CE3-CB 4.23Å; W158-F161 WeakPolarHBondContact O-CB 3.38Å; W158-F161 PolarHBondContact O-N 3.27Å; D159-F161 PolarHBondContact O-N 3.05Å; F161-F164 HydrophobicContact CD2-CD1 4.22Å; F161-F164 HydrophobicContact CE2-CD1 4.23Å; F161-F164 WeakPolarHBondContact O-CB 3.36Å; F161-F164 PolarHBondContact O-N 3.45Å; F161-Y165 PolarHBondContact O-N 3.46Å
162I95.8Very high90.2Very high13 Ų1364.1 Ų64.17%0.06733%0.329CS..Hα-helixtrans-62-45.6174.8-66.1167000110.2K55 W158 D159 F164 Y165 E166K55-I162 HydrophobicContact CB-CD1 4.08Å; K55-I162 HydrophobicContact CD-CD1 4.15Å; K55-I162 HydrophobicContact CD-CG2 4Å; K55-I162 VanDerWaalsContact CE-CG2 3.48Å; K55-I162 HydrophobicContact CG-CD1 4.06Å; K55-I162 HydrophobicContact CG-CG1 4.43Å; K55-I162 HydrophobicContact CG-CG2 4.39Å; W158-I162 PolarHBondContact O-N 2.89Å; W158-I162 VanDerWaalsContact O-N 3.13Å; D159-I162 WeakPolarHBondContact O-CA 3.45Å; D159-I162 WeakPolarHBondContact O-CB 3.44Å; D159-I162 PolarHBondContact O-N 2.97Å; I162-F164 VanDerWaalsContact C-N 3.3Å; I162-F164 PolarHBondContact O-N 3.43Å; I162-Y165 WeakPolarHBondContact O-CB 3.41Å; I162-Y165 PolarHBondContact O-N 3.17Å; I162-Y165 VanDerWaalsContact O-N 3.14Å; I162-E166 HydrophobicContact CG2-CG 4.39Å; I162-E166 WeakPolarHBondContact O-CG 3.36Å; I162-E166 PolarHBondContact O-N 2.76Å
163E94.6Very high88.2Confident112 Ų11271.9 Ų71.952%0.52336%0.36SS..Hα-helixtrans-60.8-39.7174.9-69.4-175.9-177.100112.1D159 Y165 E166 R167D159-E163 PolarHBondContact O-N 2.59Å; E163-Y165 VanDerWaalsContact C-N 3.29Å; E163-Y165 PolarHBondContact O-N 3.22Å; E163-E166 PolarHBondContact O-N 3.24Å; E163-R167 VanDerWaalsContact O-CB 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.4Å; E163-R167 PolarHBondContact O-N 2.86Å
164F92Very high86.4Confident19 Ų1979 Ų798%0.08339%0.387CS..Hα-helixtrans-61.2-37.1174.9171.9-90000112.6M63 W107 G160 F161 I162 R168 W179M63-F164 HydrophobicContact CE-CD1 3.91Å; M63-F164 HydrophobicContact CE-CE1 3.37Å; M63-F164 HydrophobicContact CE-CZ 4.36Å; W107-F164 HydrophobicContact CB-CD1 3.59Å; W107-F164 HydrophobicContact CB-CD2 3.63Å; W107-F164 HydrophobicContact CB-CE1 3.45Å; W107-F164 VanDerWaalsContact CB-CE1 3.45Å; W107-F164 HydrophobicContact CB-CE2 3.46Å; W107-F164 VanDerWaalsContact CB-CE2 3.46Å; W107-F164 HydrophobicContact CB-CG 3.69Å; W107-F164 HydrophobicContact CB-CZ 3.4Å; W107-F164 AromaticContact CD1-CD2 3.3Å; W107-F164 AromaticContact CD1-CE2 3.89Å; W107-F164 AromaticContact CD1-CG 3.54Å; W107-F164 HydrophobicContact CG-CB 4.13Å; W107-F164 HydrophobicContact CG-CD1 4.08Å; W107-F164 AromaticContact CG-CD2 3.76Å; W107-F164 HydrophobicContact CG-CD2 3.76Å; W107-F164 HydrophobicContact CG-CE1 4.39Å; W107-F164 HydrophobicContact CG-CE2 4.07Å; W107-F164 AromaticContact CG-CG 3.75Å; W107-F164 HydrophobicContact CG-CG 3.75Å; W107-F164 HydrophobicContact CG-CZ 4.4Å; G160-F164 WeakPolarHBondContact O-CB 3.45Å; G160-F164 PolarHBondContact O-N 3.46Å; F161-F164 HydrophobicContact CD2-CD1 4.22Å; F161-F164 HydrophobicContact CE2-CD1 4.23Å; F161-F164 WeakPolarHBondContact O-CB 3.36Å; F161-F164 PolarHBondContact O-N 3.45Å; I162-F164 VanDerWaalsContact C-N 3.3Å; I162-F164 PolarHBondContact O-N 3.43Å; F164-R168 VanDerWaalsContact CE1-NH1 3.3Å; F164-R168 VanDerWaalsContact CZ-NH2 3.3Å; F164-R168 PolarHBondContact O-NH1 2.95Å; F164-W179 HydrophobicContact CE1-CE3 4.47Å; F164-W179 HydrophobicContact CZ-CB 4.43Å; F164-W179 HydrophobicContact CZ-CD2 4.17Å; F164-W179 HydrophobicContact CZ-CE3 4.14Å; F164-W179 HydrophobicContact CZ-CG 4.37Å
165Y91.4Very high84.7Confident45 Ų4577 Ų7718%0.17638%0.382CS..Hα-helixtrans-69.2-51.5172.9166.7-101.3000111.8C59 A62 M63 F161 I162 E163 R167 R168 K169C59-Y165 HydrophobicContact CB-CD1 4.13Å; C59-Y165 HydrophobicContact CB-CD2 4.41Å; C59-Y165 HydrophobicContact CB-CG 3.95Å; C59-Y165 WeakPolarHBondContact SG-CD1 3.23Å; A62-Y165 HydrophobicContact CB-CE2 3.74Å; M63-Y165 HydrophobicContact CG-CD2 3.63Å; M63-Y165 HydrophobicContact CG-CE2 4.38Å; M63-Y165 HydrophobicContact SD-CD2 3.75Å; M63-Y165 HydrophobicContact SD-CE2 4.47Å; F161-Y165 PolarHBondContact O-N 3.46Å; I162-Y165 WeakPolarHBondContact O-CB 3.41Å; I162-Y165 PolarHBondContact O-N 3.17Å; I162-Y165 VanDerWaalsContact O-N 3.14Å; E163-Y165 VanDerWaalsContact C-N 3.29Å; E163-Y165 PolarHBondContact O-N 3.22Å; Y165-R167 VanDerWaalsContact C-N 3.31Å; Y165-R167 PolarHBondContact O-N 3.16Å; Y165-R168 WeakPolarHBondContact O-CB 3.41Å; Y165-R168 PolarHBondContact O-N 2.87Å; Y165-K169 HydrophobicContact CE1-CD 3.94Å; Y165-K169 PolarHBondContact O-N 3.09Å
166E91.5Very high82.7Confident73 Ų7375.8 Ų75.834%0.34138%0.375SS..Hα-helixtrans-60.3-40.9-177-73-178.6173.500112.2K55 I162 E163 R168 K169 N170K55-E166 WeakPolarHBondContact CE-OE1 3.35Å; K55-E166 IonicContact NZ-OE1 2.96Å; K55-E166 PolarHBondContact NZ-OE1 3.49Å; I162-E166 HydrophobicContact CG2-CG 4.39Å; I162-E166 WeakPolarHBondContact O-CG 3.36Å; I162-E166 PolarHBondContact O-N 2.76Å; E163-E166 PolarHBondContact O-N 3.24Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-K169 PolarHBondContact O-N 3.04Å; E166-N170 WeakPolarHBondContact O-CB 3.34Å; E166-N170 VanDerWaalsContact O-CG 3.31Å; E166-N170 PolarHBondContact O-N 3.25Å; E166-N170 PolarHBondContact O-ND2 3.32Å
167R88.9Confident81.2Confident155 Ų15576.8 Ų76.859%0.58537%0.367SS*.Hα-helixtrans-58.1-34.8175.2-168.7-179.8-58.5110.94.5112.5E163 Y165 G171E163-R167 VanDerWaalsContact O-CB 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.4Å; E163-R167 PolarHBondContact O-N 2.86Å; Y165-R167 VanDerWaalsContact C-N 3.31Å; Y165-R167 PolarHBondContact O-N 3.16Å; R167-G171 PolarHBondContact O-N 3.06Å
168R83.4Confident79.8Confident41 Ų4180.6 Ų80.616%0.15539%0.392CS..Hα-helixtrans-82-38.3177.7-77.8-176.8174.166.66.1113.7F164 Y165 E166 N170 G171 N176 W179F164-R168 VanDerWaalsContact CE1-NH1 3.3Å; F164-R168 VanDerWaalsContact CZ-NH2 3.3Å; F164-R168 PolarHBondContact O-NH1 2.95Å; Y165-R168 WeakPolarHBondContact O-CB 3.41Å; Y165-R168 PolarHBondContact O-N 2.87Å; E166-R168 PolarHBondContact O-N 3.44Å; R168-N170 PolarHBondContact O-N 3.03Å; R168-G171 PolarHBondContact O-N 3.32Å; R168-N176 VanDerWaalsContact CA-OD1 3.24Å; R168-N176 WeakPolarHBondContact CA-OD1 3.41Å; R168-N176 WeakPolarHBondContact CB-OD1 3.46Å; R168-N176 WeakPolarHBondContact CG-OD1 3.44Å; R168-N176 PolarHBondContact O-ND2 3.28Å; R168-N176 PolarHBondContact O-OD1 3.36Å; R168-N176 VanDerWaalsContact O-OD1 3.11Å; R168-W179 VanDerWaalsContact NH2-CG 3.29Å
169K83.5Confident78.4Confident143 Ų14380.7 Ų80.762%0.62239%0.393SS*.Hα-helixtrans-57.5-39.4173.2-175.2179.8-179.3171.60110.9Y165 E166Y165-K169 HydrophobicContact CE1-CD 3.94Å; Y165-K169 PolarHBondContact O-N 3.09Å; E166-K169 PolarHBondContact O-N 3.04Å
170N83.3Confident76.8Confident135 Ų13575.8 Ų75.872%0.72237%0.366SS*.Hα-helixtrans-92.1-12.9-178-61.8-19.6000114E166 R168E166-N170 WeakPolarHBondContact O-CB 3.34Å; E166-N170 VanDerWaalsContact O-CG 3.31Å; E166-N170 PolarHBondContact O-N 3.25Å; E166-N170 PolarHBondContact O-ND2 3.32Å; R168-N170 PolarHBondContact O-N 3.03Å
171G72.6Confident74.9Confident30 Ų3078 Ų7831%0.30938%0.38SS..SBendtrans-79.3162.1-178.100000113.7R167 R168R167-G171 PolarHBondContact O-N 3.06Å; R168-G171 PolarHBondContact O-N 3.32Å
172N64.8Low73Confident129 Ų12979.5 Ų79.569%0.6939%0.39SS*.  trans-65.7142172.9-77.8-37.5000110.8K174 D175N172-K174 PolarHBondContact O-N 3.5Å; N172-D175 PolarHBondContact O-N 2.98Å
173Y55.7Low71.1Confident164 Ų16479 Ų7964%0.64339%0.387SS*.THydrogen-bonded Turntrans-48.4-33.1-175.6-178.2-94.8000115R70 N176 E177R70-Y173 PolarHBondContact NH1-OH 3.42Å; Y173-N176 WeakPolarHBondContact O-CB 3.27Å; Y173-N176 PolarHBondContact O-N 3.31Å; Y173-E177 WeakPolarHBondContact CE1-OE1 3.41Å
174K55.5Low69.3Low176 Ų17674.6 Ų74.677%0.76537%0.367SS*.THydrogen-bonded Turntrans-68.7-35179.4-75.6-175.6174.1178.20113.9N172 N176 E177N172-K174 PolarHBondContact O-N 3.5Å; K174-N176 PolarHBondContact O-N 3.33Å; K174-E177 PolarHBondContact O-N 2.95Å
175D57.2Low67.6Low118 Ų11880.5 Ų80.563%0.63140%0.399SS*.THydrogen-bonded Turntrans-72.5-21178.5-64.1-33000111.5N172 E177N172-D175 PolarHBondContact O-N 2.98Å; D175-E177 VanDerWaalsContact C-N 3.25Å; D175-E177 PolarHBondContact O-N 3Å
176N54.8Low66Low40 Ų4079 Ų7921%0.21439%0.394CS..THydrogen-bonded Turntrans-72.4-10.2177.2-76.2-19.7000114.1R168 Y173 K174 W179R168-N176 VanDerWaalsContact CA-OD1 3.24Å; R168-N176 WeakPolarHBondContact CA-OD1 3.41Å; R168-N176 WeakPolarHBondContact CB-OD1 3.46Å; R168-N176 WeakPolarHBondContact CG-OD1 3.44Å; R168-N176 PolarHBondContact O-ND2 3.28Å; R168-N176 PolarHBondContact O-OD1 3.36Å; R168-N176 VanDerWaalsContact O-OD1 3.11Å; Y173-N176 WeakPolarHBondContact O-CB 3.27Å; Y173-N176 PolarHBondContact O-N 3.31Å; K174-N176 PolarHBondContact O-N 3.33Å; N176-W179 PolarHBondContact O-NE1 3.21Å
177E60.3Low64.4Low69 Ų6975.7 Ų75.732%0.32238%0.379SS..SBendtrans-90.6-31-175.2-59.8-164.6155.400113.6R70 Y173 K174 D175 W179 L180 S181R70-E177 IonicContact CZ-OE1 2.83Å; R70-E177 IonicContact NH1-OE1 3.45Å; R70-E177 PolarHBondContact NH1-OE1 2.96Å; R70-E177 IonicContact NH2-OE1 2.65Å; R70-E177 PolarHBondContact NH2-OE1 3.29Å; R70-E177 IonicContact NH2-OE2 3.12Å; R70-E177 PolarHBondContact NH2-OE2 3.25Å; Y173-E177 WeakPolarHBondContact CE1-OE1 3.41Å; K174-E177 PolarHBondContact O-N 2.95Å; D175-E177 VanDerWaalsContact C-N 3.25Å; D175-E177 PolarHBondContact O-N 3Å; E177-W179 VanDerWaalsContact C-N 3.31Å; E177-W179 PolarHBondContact O-N 2.88Å; E177-L180 PolarHBondContact O-N 2.91Å; E177-S181 PolarHBondContact O-N 3.35Å
178S66.2Low62.8Low86 Ų8670 Ų7060%0.60136%0.362SS*.Hα-helixtrans-64.7-31.4-171.3178.70000113.9S181S178-S181 PolarHBondContact O-OG 3.46Å
179W67.4Low61.5Low23 Ų2369.6 Ų69.69%0.08737%0.371CS..Hα-helixtrans-78.2-31.3-17975.9-78000113.4M63 G108 V111 F164 R168 N176 E177M63-W179 HydrophobicContact CB-CH2 4.44Å; M63-W179 HydrophobicContact CE-CD2 4.34Å; M63-W179 HydrophobicContact CE-CE3 4.46Å; M63-W179 HydrophobicContact CE-CH2 3.3Å; M63-W179 HydrophobicContact CE-CZ2 3.17Å; M63-W179 HydrophobicContact CE-CZ3 4Å; M63-W179 HydrophobicContact SD-CH2 4.2Å; M63-W179 HydrophobicContact SD-CZ2 3.89Å; G108-W179 VanDerWaalsContact CA-CZ3 3.49Å; V111-W179 HydrophobicContact CB-CH2 4.26Å; V111-W179 HydrophobicContact CB-CZ3 3.96Å; V111-W179 HydrophobicContact CG1-CH2 4.08Å; V111-W179 HydrophobicContact CG1-CZ3 4.24Å; V111-W179 HydrophobicContact CG2-CH2 4.24Å; V111-W179 HydrophobicContact CG2-CZ3 4.08Å; F164-W179 HydrophobicContact CE1-CE3 4.47Å; F164-W179 HydrophobicContact CZ-CB 4.43Å; F164-W179 HydrophobicContact CZ-CD2 4.17Å; F164-W179 HydrophobicContact CZ-CE3 4.14Å; F164-W179 HydrophobicContact CZ-CG 4.37Å; R168-W179 VanDerWaalsContact NH2-CG 3.29Å; N176-W179 PolarHBondContact O-NE1 3.21Å; E177-W179 VanDerWaalsContact C-N 3.31Å; E177-W179 PolarHBondContact O-N 2.88Å
180L61.3Low60.1Low11 Ų1163.1 Ų63.16%0.05834%0.344CS..Hα-helixtrans-66.1-48.6176.5-70.5171.2000108.3F67 Y71 E177 T182 G183 I184F67-L180 HydrophobicContact CB-CD2 4.18Å; F67-L180 HydrophobicContact CD2-CD2 3.67Å; F67-L180 HydrophobicContact CG-CD2 4.39Å; Y71-L180 HydrophobicContact CE2-CB 4.43Å; Y71-L180 HydrophobicContact CE2-CD2 4.39Å; Y71-L180 WeakPolarHBondContact OH-CB 3.46Å; E177-L180 PolarHBondContact O-N 2.91Å; L180-T182 PolarHBondContact O-N 2.96Å; L180-G183 PolarHBondContact O-N 2.93Å; L180-I184 HydrophobicContact CB-CD1 4.08Å; L180-I184 WeakPolarHBondContact O-CD1 3.41Å; L180-I184 WeakPolarHBondContact O-CG1 3.43Å; L180-I184 PolarHBondContact O-N 2.96Å
181S57.1Low58.8Low56 Ų5657.6 Ų57.639%0.39231%0.314SS..Hα-helixtrans-50.6-38.1-172.772.80000114.1E177 S178 L185E177-S181 PolarHBondContact O-N 3.35Å; S178-S181 PolarHBondContact O-OG 3.46Å; S181-L185 PolarHBondContact O-N 3.39Å
182T56.2Low57.9Low32 Ų3259.9 Ų59.920%0.19632%0.324CS..Hα-helixtrans-72.3-37.7-179.7-49.60000112.6R106 L180R106-T182 VanDerWaalsContact NH1-CG2 3.27Å; R106-T182 PolarHBondContact NH1-OG1 3.46Å; L180-T182 PolarHBondContact O-N 2.96Å
183G55.3Low57.1Low1 Ų159.3 Ų59.31%0.0132%0.321CS..Hα-helixtrans-67.8-36-179.700000112.4L180 V187L180-G183 PolarHBondContact O-N 2.93Å; G183-V187 WeakPolarHBondContact O-CG2 3.49Å; G183-V187 PolarHBondContact O-N 3.36Å; G183-V187 VanDerWaalsContact O-N 3.13Å
184I57.9Low56.9Low21 Ų2154.2 Ų54.211%0.10830%0.303CS..Hα-helixtrans-77.9-42.8-172.9-54.8131.6000113.1F67 Y71 L180 V186 V187 C188F67-I184 HydrophobicContact CE2-CG1 3.87Å; F67-I184 HydrophobicContact CZ-CG1 4.19Å; Y71-I184 HydrophobicContact CD1-CD1 4.17Å; Y71-I184 HydrophobicContact CD1-CG1 4.04Å; Y71-I184 HydrophobicContact CD1-CG2 3.97Å; Y71-I184 HydrophobicContact CD2-CD1 4.15Å; Y71-I184 HydrophobicContact CD2-CG1 3.7Å; Y71-I184 HydrophobicContact CE1-CB 4.48Å; Y71-I184 HydrophobicContact CE1-CD1 3.32Å; Y71-I184 HydrophobicContact CE1-CG1 3.69Å; Y71-I184 HydrophobicContact CE1-CG2 4.1Å; Y71-I184 HydrophobicContact CE2-CD1 3.34Å; Y71-I184 HydrophobicContact CE2-CG1 3.36Å; Y71-I184 HydrophobicContact CG-CG1 4.1Å; Y71-I184 HydrophobicContact CG-CG2 4.4Å; Y71-I184 VanDerWaalsContact CZ-CG1 3.42Å; Y71-I184 WeakPolarHBondContact OH-CD1 3.37Å; L180-I184 HydrophobicContact CB-CD1 4.08Å; L180-I184 WeakPolarHBondContact O-CD1 3.41Å; L180-I184 WeakPolarHBondContact O-CG1 3.43Å; L180-I184 PolarHBondContact O-N 2.96Å; I184-V186 PolarHBondContact O-N 3.25Å; I184-V187 PolarHBondContact O-N 3.31Å; I184-C188 HydrophobicContact CG2-CB 4.35Å; I184-C188 VanDerWaalsContact CG2-SG 3.52Å; I184-C188 WeakPolarHBondContact O-CB 3.38Å; I184-C188 PolarHBondContact O-N 3.11Å
185L56.3Low56.8Low143 Ų14347.9 Ų47.975%0.74928%0.28SS*.Hα-helixtrans-52.2-32.1179.9-77.8173.3000110.6S181 G189S181-L185 PolarHBondContact O-N 3.39Å; L185-G189 PolarHBondContact O-N 3.24Å
186V57.1Low56.3Low12 Ų1246.9 Ų46.97%0.07327%0.273CS..Hα-helixtrans-85-51.1179.1-162.70000112.2E99 L100 I184 C188 G189 V190E99-V186 HydrophobicContact CB-CG1 4.36Å; E99-V186 HydrophobicContact CG-CG1 3.73Å; E99-V186 WeakPolarHBondContact O-CG1 3.45Å; L100-V186 HydrophobicContact CB-CG1 4.45Å; L100-V186 HydrophobicContact CD1-CB 4.14Å; L100-V186 HydrophobicContact CD1-CG1 4.48Å; I184-V186 PolarHBondContact O-N 3.25Å; V186-C188 PolarHBondContact O-N 3.41Å; V186-G189 PolarHBondContact O-N 3.08Å; V186-V190 HydrophobicContact CG1-CG2 4.31Å; V186-V190 WeakPolarHBondContact O-CB 3.41Å; V186-V190 WeakPolarHBondContact O-CG2 3.48Å; V186-V190 PolarHBondContact O-N 2.93Å
187V56.8Low55.5Low5 Ų546.5 Ų46.53%0.0328%0.279CS..Hα-helixtrans-60.5-47.5179.1175.20000111.7L100 A112 G183 I184 V190 L191L100-V187 HydrophobicContact CD1-CG2 3.76Å; L100-V187 HydrophobicContact CD2-CG2 4.2Å; A112-V187 HydrophobicContact CB-CG2 4.08Å; G183-V187 WeakPolarHBondContact O-CG2 3.49Å; G183-V187 PolarHBondContact O-N 3.36Å; G183-V187 VanDerWaalsContact O-N 3.13Å; I184-V187 PolarHBondContact O-N 3.31Å; V187-V190 PolarHBondContact O-N 3.19Å; V187-L191 HydrophobicContact CG1-CD1 3.51Å; V187-L191 HydrophobicContact CG1-CG 4.33Å; V187-L191 WeakPolarHBondContact O-CB 3.41Å; V187-L191 WeakPolarHBondContact O-CD1 3.24Å; V187-L191 WeakPolarHBondContact O-CG 3.26Å; V187-L191 PolarHBondContact O-N 3.09Å
188C57Low54.7Low34 Ų3444.3 Ų44.323%0.2327%0.272CS..Hα-helixtrans-67.8-37.7176.9-66.40000112.5N74 I184 V186 L191 C192N74-C188 PolarHBondContact ND2-SG 3.02Å; I184-C188 HydrophobicContact CG2-CB 4.35Å; I184-C188 VanDerWaalsContact CG2-SG 3.52Å; I184-C188 WeakPolarHBondContact O-CB 3.38Å; I184-C188 PolarHBondContact O-N 3.11Å; V186-C188 PolarHBondContact O-N 3.41Å; C188-L191 PolarHBondContact O-N 3.26Å; C188-C192 WeakPolarHBondContact O-CB 3.32Å; C188-C192 PolarHBondContact O-N 2.69Å; C188-C192 PolarHBondContact O-SG 3.41Å
189G55.8Low53.5Low33 Ų3343.3 Ų43.334%0.3427%0.269SS..Hα-helixtrans-60.4-47.2175.100000112.2L185 V186 L193L185-G189 PolarHBondContact O-N 3.24Å; V186-G189 PolarHBondContact O-N 3.08Å; G189-L193 VanDerWaalsContact O-CG 3.28Å; G189-L193 WeakPolarHBondContact O-CG 3.28Å; G189-L193 PolarHBondContact O-N 2.84Å
190V53.5Low51.9Low8 Ų847.6 Ų47.65%0.04829%0.293CS..Hα-helixtrans-61.6-49.6176.4173.50000111.6V96 E99 V186 V187 C192 L193 M194V96-V190 HydrophobicContact CB-CG1 3.86Å; V96-V190 HydrophobicContact CG1-CG1 4.09Å; V96-V190 HydrophobicContact CG2-CG1 3.37Å; E99-V190 HydrophobicContact CB-CG2 3.4Å; E99-V190 HydrophobicContact CG-CG2 3.11Å; V186-V190 HydrophobicContact CG1-CG2 4.31Å; V186-V190 WeakPolarHBondContact O-CB 3.41Å; V186-V190 WeakPolarHBondContact O-CG2 3.48Å; V186-V190 PolarHBondContact O-N 2.93Å; V187-V190 PolarHBondContact O-N 3.19Å; V190-C192 PolarHBondContact O-N 3.02Å; V190-L193 WeakPolarHBondContact O-CA 3.41Å; V190-L193 WeakPolarHBondContact O-CB 3.24Å; V190-L193 PolarHBondContact O-N 3.45Å; V190-M194 HydrophobicContact CG1-CG 4.08Å; V190-M194 VanDerWaalsContact O-CG 3.3Å; V190-M194 WeakPolarHBondContact O-CG 3.31Å; V190-M194 PolarHBondContact O-N 3.38Å
191L56.6Low51.1Low19 Ų1952.3 Ų52.310%0.09932%0.322CS..Hα-helixtrans-68.5-40.3-172.1-66.7167.2000111M78 I82 V96 F116 V187 C188 L193 M194 T195M78-L191 HydrophobicContact CE-CD1 3.19Å; M78-L191 HydrophobicContact CE-CD2 3.41Å; M78-L191 VanDerWaalsContact CE-CD2 3.41Å; M78-L191 HydrophobicContact CE-CG 3.88Å; M78-L191 HydrophobicContact CG-CD1 4.04Å; M78-L191 HydrophobicContact SD-CD1 3.4Å; M78-L191 WeakPolarHBondContact SD-CD1 3.36Å; I82-L191 HydrophobicContact CD1-CD2 4.34Å; V96-L191 HydrophobicContact CG2-CD2 4.24Å; F116-L191 HydrophobicContact CE2-CD2 4.11Å; V187-L191 HydrophobicContact CG1-CD1 3.51Å; V187-L191 HydrophobicContact CG1-CG 4.33Å; V187-L191 WeakPolarHBondContact O-CB 3.41Å; V187-L191 WeakPolarHBondContact O-CD1 3.24Å; V187-L191 WeakPolarHBondContact O-CG 3.26Å; V187-L191 PolarHBondContact O-N 3.09Å; C188-L191 PolarHBondContact O-N 3.26Å; L191-L193 VanDerWaalsContact C-N 3.26Å; L191-L193 PolarHBondContact O-N 2.77Å; L191-M194 PolarHBondContact O-N 3.42Å; L191-M194 VanDerWaalsContact O-N 3.11Å; L191-T195 VanDerWaalsContact O-CG2 3.31Å; L191-T195 WeakPolarHBondContact O-CG2 3.45Å; L191-T195 PolarHBondContact O-N 3.36Å
192C52.2Low50.4Low77 Ų7754.5 Ų54.552%0.5233%0.333SS..Hα-helixtrans-54.3-43168.9-72.50000111.6C188 V190 T195 I196C188-C192 WeakPolarHBondContact O-CB 3.32Å; C188-C192 PolarHBondContact O-N 2.69Å; C188-C192 PolarHBondContact O-SG 3.41Å; V190-C192 PolarHBondContact O-N 3.02Å; C192-T195 PolarHBondContact O-N 3.42Å; C192-T195 PolarHBondContact O-OG1 3.47Å; C192-I196 WeakPolarHBondContact O-CD1 3.44Å; C192-I196 WeakPolarHBondContact O-CG1 3.42Å; C192-I196 PolarHBondContact O-N 3.28Å
193L49Very low49.5Very low118 Ų11861.8 Ų61.862%0.61836%0.362SS*.Hα-helixtrans-66.4-37.7176.9-68.9169.2000113G189 V190 L191 I196 G197G189-L193 VanDerWaalsContact O-CG 3.28Å; G189-L193 WeakPolarHBondContact O-CG 3.28Å; G189-L193 PolarHBondContact O-N 2.84Å; V190-L193 WeakPolarHBondContact O-CA 3.41Å; V190-L193 WeakPolarHBondContact O-CB 3.24Å; V190-L193 PolarHBondContact O-N 3.45Å; L191-L193 VanDerWaalsContact C-N 3.26Å; L191-L193 PolarHBondContact O-N 2.77Å; L193-I196 PolarHBondContact O-N 3.1Å; L193-G197 PolarHBondContact O-N 3.23Å
194M51.2Low48.7Very low57 Ų5771.5 Ų71.528%0.28141%0.413SS..Hα-helixtrans-68.4-34.4178.7-65.9-64.1-87.700112.5K92 V190 L191 G197 A198K92-M194 VanDerWaalsContact CA-CE 3.47Å; K92-M194 HydrophobicContact CB-CE 3.43Å; K92-M194 VanDerWaalsContact CB-CE 3.43Å; K92-M194 HydrophobicContact CD-CE 4.1Å; K92-M194 HydrophobicContact CG-CE 3.35Å; V190-M194 HydrophobicContact CG1-CG 4.08Å; V190-M194 VanDerWaalsContact O-CG 3.3Å; V190-M194 WeakPolarHBondContact O-CG 3.31Å; V190-M194 PolarHBondContact O-N 3.38Å; L191-M194 PolarHBondContact O-N 3.42Å; L191-M194 VanDerWaalsContact O-N 3.11Å; M194-G197 PolarHBondContact O-N 3.12Å; M194-A198 PolarHBondContact O-N 2.83Å
195T53.4Low48.3Very low43 Ų4374 Ų7426%0.26443%0.429SS..Hα-helixtrans-67.4-38.517363.30000112.5S81 L191 C192 A198 A199S81-T195 WeakPolarHBondContact OG-CG2 3.43Å; L191-T195 VanDerWaalsContact O-CG2 3.31Å; L191-T195 WeakPolarHBondContact O-CG2 3.45Å; L191-T195 PolarHBondContact O-N 3.36Å; C192-T195 PolarHBondContact O-N 3.42Å; C192-T195 PolarHBondContact O-OG1 3.47Å; T195-A198 PolarHBondContact O-N 3.2Å; T195-A199 WeakPolarHBondContact O-CB 3.2Å; T195-A199 PolarHBondContact O-N 3.32Å
196I46.3Very low47.8Very low97 Ų9770.4 Ų70.450%0.49741%0.412SS..Hα-helixtrans-67.3-42.1175.3-66.3165.1000109.9C192 L193 A199 L200C192-I196 WeakPolarHBondContact O-CD1 3.44Å; C192-I196 WeakPolarHBondContact O-CG1 3.42Å; C192-I196 PolarHBondContact O-N 3.28Å; L193-I196 PolarHBondContact O-N 3.1Å; I196-A199 PolarHBondContact O-N 2.85Å; I196-L200 HydrophobicContact CG2-CD1 4Å; I196-L200 HydrophobicContact CG2-CG 4.48Å; I196-L200 VanDerWaalsContact O-CG 3.3Å; I196-L200 WeakPolarHBondContact O-CG 3.31Å; I196-L200 PolarHBondContact O-N 3.49Å
197G39.3Very low47.3Very low32 Ų3273.6 Ų73.633%0.3343%0.431SS..Hα-helixtrans-61.2-43.117600000113.3L193 M194 L200 V201L193-G197 PolarHBondContact O-N 3.23Å; M194-G197 PolarHBondContact O-N 3.12Å; G197-L200 PolarHBondContact O-N 3.17Å; G197-V201 WeakPolarHBondContact O-CG2 3.31Å; G197-V201 PolarHBondContact O-N 3.38Å
198A43Very low46.8Very low23 Ų2377.6 Ų77.619%0.1945%0.454CS..Hα-helixtrans-65.7-40.4175.300000112.2M194 T195 L200 V201 V202M194-A198 PolarHBondContact O-N 2.83Å; T195-A198 PolarHBondContact O-N 3.2Å; A198-L200 VanDerWaalsContact C-N 3.29Å; A198-L200 PolarHBondContact O-N 2.98Å; A198-V201 PolarHBondContact O-N 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.4Å; A198-V202 PolarHBondContact O-N 3.16Å
199A41.2Very low46.1Very low64 Ų6480.4 Ų80.453%0.52947%0.468SS..Hα-helixtrans-65.3-31.5175.100000112.8T195 I196T195-A199 WeakPolarHBondContact O-CB 3.2Å; T195-A199 PolarHBondContact O-N 3.32Å; I196-A199 PolarHBondContact O-N 2.85Å
200L33.6Very low45.5Very low114 Ų11483.5 Ų83.560%0.59748%0.477SS*.Hα-helixtrans-73.6-38.3174.3-73.3168.9000112.4I196 G197 A198 K203I196-L200 HydrophobicContact CG2-CD1 4Å; I196-L200 HydrophobicContact CG2-CG 4.48Å; I196-L200 VanDerWaalsContact O-CG 3.3Å; I196-L200 WeakPolarHBondContact O-CG 3.31Å; I196-L200 PolarHBondContact O-N 3.49Å; G197-L200 PolarHBondContact O-N 3.17Å; A198-L200 VanDerWaalsContact C-N 3.29Å; A198-L200 PolarHBondContact O-N 2.98Å; L200-K203 PolarHBondContact O-N 3.09Å
201V44.2Very low44.9Very low109 Ų10988.9 Ų88.966%0.66151%0.507SS*.Hα-helixtrans-69.4-35.5177.5171.60000112G197 A198 K203G197-V201 WeakPolarHBondContact O-CG2 3.31Å; G197-V201 PolarHBondContact O-N 3.38Å; A198-V201 PolarHBondContact O-N 3.27Å; V201-K203 PolarHBondContact O-N 3Å
202V43.7Very low44Very low102 Ų10294.3 Ų94.362%0.61854%0.539SS*.Hα-helixtrans-71.4-19.5176.6173.80000112.4A198A198-V202 WeakPolarHBondContact O-CG2 3.4Å; A198-V202 PolarHBondContact O-N 3.16Å
203K36.3Very low43.3Very low185 Ų18595.8 Ų95.880%0.80454%0.54SS*.THydrogen-bonded Turntrans-94.62-177.4-152.8174179.4-179.90113.9L200 V201L200-K203 PolarHBondContact O-N 3.09Å; V201-K203 PolarHBondContact O-N 3Å
204N38.9Very low42.8Very low205 Ų20593.7 Ų93.7100%1.09653%0.533SS*.  trans-127.70-177.5-144.760.4000111

Retrieved 204 of 204 residues in 279.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).