A0A077Z5Z8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5Z8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M51Low61.4Low220 Ų220110 Ų110100%1.08459%0.591SS**  0-34.30-78.8-177-17800112D3M1-D3 PolarHBondContact O-N 3Å
2A53Low62.7Low68 Ų68103.7 Ų103.756%0.56256%0.557SS**Hα-helixtrans-56.3-44.8175.600000114K4 H5 C6A2-K4 PolarHBondContact O-N 3.47Å; A2-H5 PolarHBondContact O-N 3.26Å; A2-C6 PolarHBondContact O-N 3.47Å
3D55.2Low64Low137 Ų137103.5 Ų103.573%0.73355%0.554SS**Hα-helixtrans-61-38-173.4-55.8-21.6000114.4M1 H5 A7M1-D3 PolarHBondContact O-N 3Å; D3-H5 VanDerWaalsContact C-N 3.3Å; D3-H5 PolarHBondContact O-N 2.98Å; D3-A7 WeakPolarHBondContact O-CB 3.43Å; D3-A7 PolarHBondContact O-N 2.77Å
4K57.9Low65.4Low181 Ų181100.2 Ų100.279%0.78754%0.543SS*.Hα-helixtrans-67.6-33.8176.7-74-172.4176.9-177.60112A2 S8A2-K4 PolarHBondContact O-N 3.47Å; K4-S8 PolarHBondContact O-N 3.32Å; K4-S8 VanDerWaalsContact O-N 3.1Å; K4-S8 PolarHBondContact O-OG 2.91Å
5H55.8Low66.5Low134 Ų13493.5 Ų93.562%0.6251%0.507SS*.Hα-helixtrans-76.8-35.7-179.3-156.6-35.1000111.7A2 D3 S8 L9A2-H5 PolarHBondContact O-N 3.26Å; D3-H5 VanDerWaalsContact C-N 3.3Å; D3-H5 PolarHBondContact O-N 2.98Å; H5-S8 WeakPolarHBondContact CA-OG 3.5Å; H5-S8 PolarHBondContact O-OG 3.36Å; H5-L9 WeakPolarHBondContact O-CB 3.37Å; H5-L9 PolarHBondContact O-N 3.1Å
6C53.5Low67.3Low69 Ų6993.4 Ų93.447%0.46650%0.502SS..Hα-helixtrans-64.4-47.2171.4-67.50000110.8A2 S8 L9 E10A2-C6 PolarHBondContact O-N 3.47Å; C6-S8 VanDerWaalsContact C-N 3.33Å; C6-S8 PolarHBondContact O-N 3.12Å; C6-L9 PolarHBondContact O-N 3.36Å; C6-L9 VanDerWaalsContact O-N 3.12Å; C6-E10 WeakPolarHBondContact O-CG 3.35Å; C6-E10 PolarHBondContact O-N 2.95Å
7A60.6Low68.4Low57 Ų5793.1 Ų93.147%0.47151%0.508SS..Hα-helixtrans-61.4-38.7178.700000112.8D3 M11D3-A7 WeakPolarHBondContact O-CB 3.43Å; D3-A7 PolarHBondContact O-N 2.77Å; A7-M11 WeakPolarHBondContact O-CB 2.81Å; A7-M11 PolarHBondContact O-N 3.31Å; A7-M11 VanDerWaalsContact O-N 3.11Å
8S70.4Confident69.6Low45 Ų4588.6 Ų88.632%0.31548%0.484SS..Hα-helixtrans-67.9-38.2174.862.60000112.3K4 H5 C6 M11 D12K4-S8 PolarHBondContact O-N 3.32Å; K4-S8 VanDerWaalsContact O-N 3.1Å; K4-S8 PolarHBondContact O-OG 2.91Å; H5-S8 WeakPolarHBondContact CA-OG 3.5Å; H5-S8 PolarHBondContact O-OG 3.36Å; C6-S8 VanDerWaalsContact C-N 3.33Å; C6-S8 PolarHBondContact O-N 3.12Å; S8-M11 PolarHBondContact O-N 3.06Å; S8-D12 WeakPolarHBondContact O-CB 3.39Å; S8-D12 VanDerWaalsContact O-CG 3.25Å; S8-D12 PolarHBondContact O-N 3.21Å
9L66.3Low70.9Confident98 Ų9887.5 Ų87.551%0.51348%0.481SS..Hα-helixtrans-68-43.9179.2-171.175.4000111.7H5 C6 M11 D12 I13H5-L9 WeakPolarHBondContact O-CB 3.37Å; H5-L9 PolarHBondContact O-N 3.1Å; C6-L9 PolarHBondContact O-N 3.36Å; C6-L9 VanDerWaalsContact O-N 3.12Å; L9-M11 VanDerWaalsContact C-N 3.32Å; L9-M11 PolarHBondContact O-N 3.05Å; L9-D12 PolarHBondContact O-N 3.27Å; L9-I13 HydrophobicContact CG-CD1 4.14Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 2.74Å
10E75.8Confident72Confident138 Ų13884.3 Ų84.365%0.64546%0.463SS*.Hα-helixtrans-62.8-40.3176.1-73176.5178.300111.6C6 D12 C14C6-E10 WeakPolarHBondContact O-CG 3.35Å; C6-E10 PolarHBondContact O-N 2.95Å; E10-D12 VanDerWaalsContact C-N 3.34Å; E10-C14 WeakPolarHBondContact O-CB 3.45Å; E10-C14 PolarHBondContact O-N 3.3Å
11M75.4Confident73.1Confident63 Ų6382.7 Ų82.731%0.3146%0.461SS..Hα-helixtrans-62.6-41.5174.7-172.5175.4-136.700111.8A7 S8 L9 C14 I15 V34A7-M11 WeakPolarHBondContact O-CB 2.81Å; A7-M11 PolarHBondContact O-N 3.31Å; A7-M11 VanDerWaalsContact O-N 3.11Å; S8-M11 PolarHBondContact O-N 3.06Å; L9-M11 VanDerWaalsContact C-N 3.32Å; L9-M11 PolarHBondContact O-N 3.05Å; M11-C14 PolarHBondContact O-N 3.21Å; M11-I15 HydrophobicContact CG-CD1 3.87Å; M11-I15 WeakPolarHBondContact O-CG1 3.43Å; M11-I15 PolarHBondContact O-N 2.94Å; M11-V34 HydrophobicContact CE-CG2 3.31Å; M11-V34 HydrophobicContact SD-CG2 4.24Å
12D77.2Confident75.1Confident34 Ų3476.3 Ų76.318%0.18243%0.429CS..Hα-helixtrans-63.9-49.3178.1-76.9-17.6000111.5S8 L9 E10 C14 I15 E16 A37 R40S8-D12 WeakPolarHBondContact O-CB 3.39Å; S8-D12 VanDerWaalsContact O-CG 3.25Å; S8-D12 PolarHBondContact O-N 3.21Å; L9-D12 PolarHBondContact O-N 3.27Å; E10-D12 VanDerWaalsContact C-N 3.34Å; D12-C14 VanDerWaalsContact C-N 3.28Å; D12-C14 PolarHBondContact O-N 3.02Å; D12-I15 PolarHBondContact O-N 3.06Å; D12-E16 WeakPolarHBondContact O-CB 3.34Å; D12-E16 VanDerWaalsContact O-CG 3.28Å; D12-E16 WeakPolarHBondContact O-CG 3.49Å; D12-E16 PolarHBondContact O-N 3.34Å; D12-A37 WeakPolarHBondContact OD1-CB 3.4Å; D12-R40 IonicContact OD1-CZ 3.77Å; D12-R40 IonicContact OD1-NH2 2.64Å; D12-R40 PolarHBondContact OD1-NH2 3.32Å; D12-R40 IonicContact OD2-CZ 3.7Å; D12-R40 IonicContact OD2-NH2 3.01Å; D12-R40 PolarHBondContact OD2-NH2 2.96Å
13I80.2Confident77.1Confident101 Ų10173.1 Ų73.152%0.51840%0.402SS..Hα-helixtrans-58.3-43.1177.4-67165.4000110.7L9 S17L9-I13 HydrophobicContact CG-CD1 4.14Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 2.74Å; I13-S17 PolarHBondContact O-N 2.74Å
14C83.7Confident79Confident58 Ų5871.7 Ų71.739%0.39239%0.387SS..Hα-helixtrans-58.7-54.5176.5-179.10000110.7E10 M11 D12 E16 S17 L18E10-C14 WeakPolarHBondContact O-CB 3.45Å; E10-C14 PolarHBondContact O-N 3.3Å; M11-C14 PolarHBondContact O-N 3.21Å; D12-C14 VanDerWaalsContact C-N 3.28Å; D12-C14 PolarHBondContact O-N 3.02Å; C14-E16 PolarHBondContact O-N 3.43Å; C14-S17 PolarHBondContact O-N 3.37Å; C14-S17 PolarHBondContact O-OG 2.99Å; C14-L18 WeakPolarHBondContact O-CG 3.46Å; C14-L18 PolarHBondContact O-N 3.35Å
15I81.8Confident80.7Confident0 Ų069.5 Ų69.50%038%0.379CS..Hα-helixtrans-65-37.6-176.4-68.3171.1000111.9M11 D12 S17 L18 L23 W26 V34 A37 I38 N41M11-I15 HydrophobicContact CG-CD1 3.87Å; M11-I15 WeakPolarHBondContact O-CG1 3.43Å; M11-I15 PolarHBondContact O-N 2.94Å; D12-I15 PolarHBondContact O-N 3.06Å; I15-S17 PolarHBondContact O-N 3.27Å; I15-L18 HydrophobicContact CB-CD1 4.47Å; I15-L18 HydrophobicContact CG1-CD1 4.28Å; I15-L18 PolarHBondContact O-N 3.01Å; I15-L23 HydrophobicContact CG2-CD1 3.83Å; I15-W26 HydrophobicContact CD1-CE3 4.12Å; I15-W26 HydrophobicContact CD1-CZ3 3.95Å; I15-W26 HydrophobicContact CG1-CE3 4.02Å; I15-W26 HydrophobicContact CG1-CZ3 3.79Å; I15-V34 HydrophobicContact CD1-CB 4.42Å; I15-V34 HydrophobicContact CD1-CG1 4.25Å; I15-V34 HydrophobicContact CD1-CG2 4.35Å; I15-A37 HydrophobicContact CB-CB 4Å; I15-A37 HydrophobicContact CD1-CB 3.57Å; I15-A37 HydrophobicContact CG1-CB 4.38Å; I15-A37 HydrophobicContact CG2-CB 3.81Å; I15-I38 HydrophobicContact CG2-CG1 4.06Å; I15-N41 PolarHBondContact O-ND2 3.48Å
16E78.5Confident82.5Confident92 Ų9266.8 Ų66.843%0.4336%0.364SS..Hα-helixtrans-60.1-33.9177.3-77.2177.2-175.900112.6D12 C14 N41 R45D12-E16 WeakPolarHBondContact O-CB 3.34Å; D12-E16 VanDerWaalsContact O-CG 3.28Å; D12-E16 WeakPolarHBondContact O-CG 3.49Å; D12-E16 PolarHBondContact O-N 3.34Å; C14-E16 PolarHBondContact O-N 3.43Å; E16-N41 VanDerWaalsContact CA-ND2 3.26Å; E16-N41 WeakPolarHBondContact CA-ND2 3.44Å; E16-N41 PolarHBondContact O-ND2 3.3Å; E16-R45 PolarHBondContact O-NH2 3.2Å
17S86.2Confident84.4Confident88 Ų8863.6 Ų63.662%0.61534%0.342SS*.Hα-helixtrans-81.7-16179.775.50000115I13 C14 I15I13-S17 PolarHBondContact O-N 2.74Å; C14-S17 PolarHBondContact O-N 3.37Å; C14-S17 PolarHBondContact O-OG 2.99Å; I15-S17 PolarHBondContact O-N 3.27Å
18L90.1Very high85.9Confident12 Ų1265.4 Ų65.46%0.06335%0.347CS..SBendtrans-65.2135.4-170.3-70172.4000112.8C14 I15 E22 W26 R45C14-L18 WeakPolarHBondContact O-CG 3.46Å; C14-L18 PolarHBondContact O-N 3.35Å; I15-L18 HydrophobicContact CB-CD1 4.47Å; I15-L18 HydrophobicContact CG1-CD1 4.28Å; I15-L18 PolarHBondContact O-N 3.01Å; L18-E22 HydrophobicContact CB-CB 4.36Å; L18-E22 HydrophobicContact CD2-CB 4.34Å; L18-E22 WeakPolarHBondContact CD2-OE2 3.47Å; L18-W26 HydrophobicContact CD1-CD2 3.97Å; L18-W26 HydrophobicContact CD1-CE3 4.27Å; L18-W26 HydrophobicContact CD1-CG 4.34Å; L18-W26 HydrophobicContact CD1-CZ2 4.3Å; L18-R45 VanDerWaalsContact O-CZ 3.24Å; L18-R45 PolarHBondContact O-NH1 3.32Å; L18-R45 PolarHBondContact O-NH2 2.98Å
19P93.9Very high86.9Confident67 Ų6766.9 Ų66.944%0.43535%0.351SS..  trans-51.9150.1167.7-25.535000112.1A21 E22 L23P19-A21 PolarHBondContact O-N 3.41Å; P19-A21 VanDerWaalsContact O-N 3.14Å; P19-E22 WeakPolarHBondContact CG-OE1 3.49Å; P19-E22 PolarHBondContact O-N 3.26Å; P19-E22 VanDerWaalsContact O-N 3.13Å; P19-L23 WeakPolarHBondContact O-CB 3.49Å; P19-L23 PolarHBondContact O-N 2.95Å
20L94.2Very high88Confident23 Ų2368 Ų6812%0.1237%0.367CS..Hα-helixtrans-58-31.3-178.3-74.3168.7000113.3L23 R24 R45 V106 L109 M110 N113L20-L23 HydrophobicContact CD2-CD2 4.34Å; L20-R24 WeakPolarHBondContact O-CB 3.34Å; L20-R24 PolarHBondContact O-N 2.88Å; L20-R45 VanDerWaalsContact CD2-NH1 3.26Å; L20-V106 HydrophobicContact CD2-CG1 4.22Å; L20-V106 VanDerWaalsContact O-CG1 3.32Å; L20-V106 WeakPolarHBondContact O-CG1 3.27Å; L20-L109 HydrophobicContact CD1-CB 4.13Å; L20-L109 HydrophobicContact CD2-CB 3.85Å; L20-L109 HydrophobicContact CD2-CD1 4.22Å; L20-M110 HydrophobicContact CB-CG 3.56Å; L20-M110 HydrophobicContact CD1-CG 4.25Å; L20-M110 HydrophobicContact CG-CG 4.43Å; L20-N113 HydrophobicContact CD1-CB 4.12Å
21A94Very high88.7Confident52 Ų5265.1 Ų65.143%0.4336%0.356SS..Hα-helixtrans-64.1-49.1176.500000111.6P19 R24 E25 M110P19-A21 PolarHBondContact O-N 3.41Å; P19-A21 VanDerWaalsContact O-N 3.14Å; A21-R24 WeakPolarHBondContact O-CB 3.48Å; A21-R24 PolarHBondContact O-N 3.3Å; A21-E25 PolarHBondContact O-N 2.64Å; A21-M110 HydrophobicContact CB-CE 4.23Å
22E93.8Very high89.5Confident86 Ų8670.8 Ų70.840%0.40237%0.374SS..Hα-helixtrans-65-42.3175.9-66.9174.5-138.500111L18 P19 R24 E25 W26L18-E22 HydrophobicContact CB-CB 4.36Å; L18-E22 HydrophobicContact CD2-CB 4.34Å; L18-E22 WeakPolarHBondContact CD2-OE2 3.47Å; P19-E22 WeakPolarHBondContact CG-OE1 3.49Å; P19-E22 PolarHBondContact O-N 3.26Å; P19-E22 VanDerWaalsContact O-N 3.13Å; E22-R24 PolarHBondContact O-N 3.01Å; E22-E25 WeakPolarHBondContact O-CB 3.31Å; E22-E25 PolarHBondContact O-N 2.98Å; E22-W26 PolarHBondContact O-N 3.24Å
23L94.1Very high90.1Very high0 Ų073 Ų730%038%0.383CS..Hα-helixtrans-57.3-35.6176-164.870.6000111.8I15 P19 L20 W26 C27 I38 N41 V106I15-L23 HydrophobicContact CG2-CD1 3.83Å; P19-L23 WeakPolarHBondContact O-CB 3.49Å; P19-L23 PolarHBondContact O-N 2.95Å; L20-L23 HydrophobicContact CD2-CD2 4.34Å; L23-W26 PolarHBondContact O-N 2.99Å; L23-C27 PolarHBondContact O-N 3.48Å; L23-C27 VanDerWaalsContact O-N 3.1Å; L23-C27 PolarHBondContact O-SG 2.9Å; L23-I38 HydrophobicContact CD1-CB 4.34Å; L23-I38 HydrophobicContact CD1-CG1 3.75Å; L23-I38 HydrophobicContact CD1-CG2 4.24Å; L23-I38 HydrophobicContact CG-CG1 4.47Å; L23-I38 HydrophobicContact CG-CG2 4.22Å; L23-N41 HydrophobicContact CD2-CB 4.34Å; L23-V106 HydrophobicContact CB-CG1 4.29Å; L23-V106 HydrophobicContact CD2-CG1 4.4Å; L23-V106 HydrophobicContact CD2-CG2 3.71Å; L23-V106 HydrophobicContact CG-CG2 4Å
24R94.6Very high90.6Very high108 Ų10868.3 Ų68.341%0.40836%0.359SS..Hα-helixtrans-67-40.7177-172.2178.7173.1-174.8-0.5112L20 A21 E22 W26 C27 L103 V106 S107 M110L20-R24 WeakPolarHBondContact O-CB 3.34Å; L20-R24 PolarHBondContact O-N 2.88Å; A21-R24 WeakPolarHBondContact O-CB 3.48Å; A21-R24 PolarHBondContact O-N 3.3Å; E22-R24 PolarHBondContact O-N 3.01Å; R24-W26 VanDerWaalsContact C-N 3.34Å; R24-C27 VanDerWaalsContact O-CB 3.3Å; R24-C27 WeakPolarHBondContact O-CB 3.35Å; R24-C27 PolarHBondContact O-N 3.48Å; R24-L103 HydrophobicContact CG-CD1 3.78Å; R24-V106 HydrophobicContact CB-CG1 3.75Å; R24-V106 HydrophobicContact CG-CG1 4.44Å; R24-S107 PolarHBondContact NE-OG 2.88Å; R24-M110 HydrophobicContact CB-SD 4.15Å; R24-M110 VanDerWaalsContact CD-SD 3.58Å; R24-M110 HydrophobicContact CG-SD 4.44Å
25E94.1Very high91Very high135 Ų13566.1 Ų66.163%0.63134%0.343SS*.Hα-helixtrans-63.7-43.7176.1-65.5178.117500110.7A21 E22 C27 T28A21-E25 PolarHBondContact O-N 2.64Å; E22-E25 WeakPolarHBondContact O-CB 3.31Å; E22-E25 PolarHBondContact O-N 2.98Å; E25-C27 PolarHBondContact O-N 3.11Å; E25-T28 WeakPolarHBondContact O-CB 3.35Å; E25-T28 PolarHBondContact O-N 2.94Å; E25-T28 PolarHBondContact O-OG1 3.3Å
26W93.3Very high91.5Very high77 Ų7769.7 Ų69.729%0.29236%0.359SS..Hα-helixtrans-66.6-22.4179.3-74.851.1000113.3I15 L18 E22 L23 R24 T28 L29 V34 I38I15-W26 HydrophobicContact CD1-CE3 4.12Å; I15-W26 HydrophobicContact CD1-CZ3 3.95Å; I15-W26 HydrophobicContact CG1-CE3 4.02Å; I15-W26 HydrophobicContact CG1-CZ3 3.79Å; L18-W26 HydrophobicContact CD1-CD2 3.97Å; L18-W26 HydrophobicContact CD1-CE3 4.27Å; L18-W26 HydrophobicContact CD1-CG 4.34Å; L18-W26 HydrophobicContact CD1-CZ2 4.3Å; E22-W26 PolarHBondContact O-N 3.24Å; L23-W26 PolarHBondContact O-N 2.99Å; R24-W26 VanDerWaalsContact C-N 3.34Å; W26-T28 PolarHBondContact O-N 3.25Å; W26-L29 HydrophobicContact CB-CD1 4.43Å; W26-L29 HydrophobicContact CD2-CD1 4.26Å; W26-L29 HydrophobicContact CE3-CD1 4.24Å; W26-L29 HydrophobicContact CG-CD1 4.36Å; W26-L29 WeakPolarHBondContact O-CB 3.49Å; W26-L29 PolarHBondContact O-N 3.01Å; W26-V34 HydrophobicContact CE3-CG1 3.99Å; W26-I38 HydrophobicContact CB-CD1 4.06Å
27C93.5Very high92.2Very high1 Ų165.3 Ų65.31%0.00734%0.338CS..THydrogen-bonded Turntrans-57.8-20171.8-69.70000112.3L23 R24 E25 L29 Q35 M99 L103L23-C27 PolarHBondContact O-N 3.48Å; L23-C27 VanDerWaalsContact O-N 3.1Å; L23-C27 PolarHBondContact O-SG 2.9Å; R24-C27 VanDerWaalsContact O-CB 3.3Å; R24-C27 WeakPolarHBondContact O-CB 3.35Å; R24-C27 PolarHBondContact O-N 3.48Å; E25-C27 PolarHBondContact O-N 3.11Å; C27-L29 VanDerWaalsContact C-N 3.34Å; C27-Q35 PolarHBondContact O-NE2 2.81Å; C27-M99 WeakPolarHBondContact O-CG 3.34Å; C27-L103 HydrophobicContact CB-CB 4.13Å; C27-L103 HydrophobicContact CB-CD1 4.21Å
28T92Very high92.5Very high96 Ų9661.1 Ų61.159%0.58931%0.309SS*.THydrogen-bonded Turntrans-80.5-11.8178.865.80000114.2E25 W26E25-T28 WeakPolarHBondContact O-CB 3.35Å; E25-T28 PolarHBondContact O-N 2.94Å; E25-T28 PolarHBondContact O-OG1 3.3Å; W26-T28 PolarHBondContact O-N 3.25Å
29L91.4Very high92.7Very high76 Ų7662.1 Ų62.140%0.39832%0.319SS..  trans-78.1130.4-177.5-59.9176.8000110.9W26 C27 N31 V34 Q35W26-L29 HydrophobicContact CB-CD1 4.43Å; W26-L29 HydrophobicContact CD2-CD1 4.26Å; W26-L29 HydrophobicContact CE3-CD1 4.24Å; W26-L29 HydrophobicContact CG-CD1 4.36Å; W26-L29 WeakPolarHBondContact O-CB 3.49Å; W26-L29 PolarHBondContact O-N 3.01Å; C27-L29 VanDerWaalsContact C-N 3.34Å; L29-N31 PolarHBondContact O-N 3.14Å; L29-V34 HydrophobicContact CB-CG1 4.44Å; L29-V34 HydrophobicContact CD1-CG1 4.37Å; L29-Q35 PolarHBondContact O-NE2 2.85Å
30S90.1Very high92.6Very high120 Ų12063.4 Ų63.484%0.83932%0.315SS*.  trans-73.9-2.7179.657.20000114.4R32S30-R32 PolarHBondContact O-N 3.43Å
31N91.5Very high92.6Very high78 Ų7862.5 Ų62.542%0.41731%0.31SS..  trans-66121.7-177.6-177.4-41.3000111.2L29 E33 V34 Q35L29-N31 PolarHBondContact O-N 3.14Å; N31-E33 PolarHBondContact O-N 2.94Å; N31-E33 PolarHBondContact OD1-N 3.35Å; N31-V34 HydrophobicContact CB-CB 4Å; N31-V34 HydrophobicContact CB-CG2 3.75Å; N31-V34 WeakPolarHBondContact O-CB 3.44Å; N31-V34 PolarHBondContact O-N 2.95Å; N31-V34 PolarHBondContact OD1-N 3.4Å; N31-Q35 VanDerWaalsContact O-CG 3.3Å; N31-Q35 WeakPolarHBondContact O-CG 3.08Å; N31-Q35 PolarHBondContact O-N 2.92Å
32R90.7Very high92.7Very high182 Ų18260.1 Ų60.169%0.68729%0.291SS*.Hα-helixtrans-60.9-41.1-177.4-175.1-179.2-176.9-172.5-1113.5S30 Q35 K36S30-R32 PolarHBondContact O-N 3.43Å; R32-Q35 PolarHBondContact O-N 3.48Å; R32-K36 WeakPolarHBondContact O-CG 3.46Å; R32-K36 PolarHBondContact O-N 2.95Å
33E89.7Confident92.7Very high80 Ų8058.5 Ų58.537%0.37429%0.292SS..Hα-helixtrans-70.9-39.4-178.2-60.9-49.2126.800110.7N31 Q35 K36 A37N31-E33 PolarHBondContact O-N 2.94Å; N31-E33 PolarHBondContact OD1-N 3.35Å; E33-Q35 PolarHBondContact O-N 3.04Å; E33-K36 PolarHBondContact O-N 2.74Å; E33-K36 IonicContact OE1-NZ 2.77Å; E33-K36 PolarHBondContact OE1-NZ 3.47Å; E33-K36 IonicContact OE2-NZ 3.32Å; E33-K36 PolarHBondContact OE2-NZ 2.87Å; E33-A37 WeakPolarHBondContact O-CB 3.47Å; E33-A37 PolarHBondContact O-N 3.19Å
34V90.8Very high92.7Very high3 Ų363 Ų632%0.01832%0.319CS..Hα-helixtrans-56.1-50.2169.8173.70000110.7M11 I15 W26 L29 N31 K36 A37 I38M11-V34 HydrophobicContact CE-CG2 3.31Å; M11-V34 HydrophobicContact SD-CG2 4.24Å; I15-V34 HydrophobicContact CD1-CB 4.42Å; I15-V34 HydrophobicContact CD1-CG1 4.25Å; I15-V34 HydrophobicContact CD1-CG2 4.35Å; W26-V34 HydrophobicContact CE3-CG1 3.99Å; L29-V34 HydrophobicContact CB-CG1 4.44Å; L29-V34 HydrophobicContact CD1-CG1 4.37Å; N31-V34 HydrophobicContact CB-CB 4Å; N31-V34 HydrophobicContact CB-CG2 3.75Å; N31-V34 WeakPolarHBondContact O-CB 3.44Å; N31-V34 PolarHBondContact O-N 2.95Å; N31-V34 PolarHBondContact OD1-N 3.4Å; V34-K36 VanDerWaalsContact C-N 3.3Å; V34-K36 PolarHBondContact O-N 3.17Å; V34-A37 PolarHBondContact O-N 3.01Å; V34-I38 HydrophobicContact CG1-CD1 3.66Å; V34-I38 HydrophobicContact CG1-CG1 4.28Å; V34-I38 VanDerWaalsContact O-CG1 3.26Å; V34-I38 WeakPolarHBondContact O-CG1 3.43Å; V34-I38 PolarHBondContact O-N 3.16Å
35Q93.5Very high92.8Very high12 Ų1260.6 Ų60.66%0.05631%0.31CS..Hα-helixtrans-64.1-33.8-177.9-68.1-64-33.200113C27 L29 N31 R32 E33 A39 V98 N102C27-Q35 PolarHBondContact O-NE2 2.81Å; L29-Q35 PolarHBondContact O-NE2 2.85Å; N31-Q35 VanDerWaalsContact O-CG 3.3Å; N31-Q35 WeakPolarHBondContact O-CG 3.08Å; N31-Q35 PolarHBondContact O-N 2.92Å; R32-Q35 PolarHBondContact O-N 3.48Å; E33-Q35 PolarHBondContact O-N 3.04Å; Q35-A39 WeakPolarHBondContact O-CB 2.86Å; Q35-A39 PolarHBondContact O-N 3.38Å; Q35-V98 HydrophobicContact CB-CG1 4.03Å; Q35-N102 PolarHBondContact O-ND2 2.98Å; Q35-N102 PolarHBondContact OE1-ND2 2.79Å
36K92.3Very high92.8Very high75 Ų7556.5 Ų56.533%0.32629%0.292SS..Hα-helixtrans-68.2-43.8172.7-74172.9-178166.80112R32 E33 V34 I38 A39 R40R32-K36 WeakPolarHBondContact O-CG 3.46Å; R32-K36 PolarHBondContact O-N 2.95Å; E33-K36 PolarHBondContact O-N 2.74Å; E33-K36 IonicContact OE1-NZ 2.77Å; E33-K36 PolarHBondContact OE1-NZ 3.47Å; E33-K36 IonicContact OE2-NZ 3.32Å; E33-K36 PolarHBondContact OE2-NZ 2.87Å; V34-K36 VanDerWaalsContact C-N 3.3Å; V34-K36 PolarHBondContact O-N 3.17Å; K36-I38 VanDerWaalsContact C-N 3.33Å; K36-A39 WeakPolarHBondContact O-CB 3.3Å; K36-A39 PolarHBondContact O-N 3.13Å; K36-R40 PolarHBondContact O-N 3.48Å
37A91.5Very high93Very high0 Ų056.9 Ų56.90%030%0.299CS..Hα-helixtrans-63.7-41.3178.800000111.1D12 I15 E33 V34 A39 R40 N41D12-A37 WeakPolarHBondContact OD1-CB 3.4Å; I15-A37 HydrophobicContact CB-CB 4Å; I15-A37 HydrophobicContact CD1-CB 3.57Å; I15-A37 HydrophobicContact CG1-CB 4.38Å; I15-A37 HydrophobicContact CG2-CB 3.81Å; E33-A37 WeakPolarHBondContact O-CB 3.47Å; E33-A37 PolarHBondContact O-N 3.19Å; V34-A37 PolarHBondContact O-N 3.01Å; A37-A39 PolarHBondContact O-N 3.17Å; A37-R40 PolarHBondContact O-N 3.46Å; A37-N41 WeakPolarHBondContact O-CB 3.5Å; A37-N41 PolarHBondContact O-N 3.41Å
38I94.2Very high93Very high0 Ų063.8 Ų63.80%033%0.329CS..Hα-helixtrans-59.7-45.3172.3-65.9169.6000110.9I15 L23 W26 V34 K36 R40 N41 I42 N102 V106I15-I38 HydrophobicContact CG2-CG1 4.06Å; L23-I38 HydrophobicContact CD1-CB 4.34Å; L23-I38 HydrophobicContact CD1-CG1 3.75Å; L23-I38 HydrophobicContact CD1-CG2 4.24Å; L23-I38 HydrophobicContact CG-CG1 4.47Å; L23-I38 HydrophobicContact CG-CG2 4.22Å; W26-I38 HydrophobicContact CB-CD1 4.06Å; V34-I38 HydrophobicContact CG1-CD1 3.66Å; V34-I38 HydrophobicContact CG1-CG1 4.28Å; V34-I38 VanDerWaalsContact O-CG1 3.26Å; V34-I38 WeakPolarHBondContact O-CG1 3.43Å; V34-I38 PolarHBondContact O-N 3.16Å; K36-I38 VanDerWaalsContact C-N 3.33Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3.19Å; I38-N41 WeakPolarHBondContact O-CB 3.44Å; I38-N41 PolarHBondContact O-N 3.41Å; I38-I42 HydrophobicContact CG2-CD1 3.73Å; I38-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 VanDerWaalsContact O-CG1 3.3Å; I38-I42 WeakPolarHBondContact O-CG1 3.42Å; I38-I42 PolarHBondContact O-N 2.9Å; I38-N102 HydrophobicContact CG2-CB 3.83Å; I38-V106 HydrophobicContact CG2-CG2 4.3Å
39A94Very high93.2Very high33 Ų3359.9 Ų59.927%0.27331%0.305SS..Hα-helixtrans-60.8-40.5178.800000112.4Q35 K36 A37 I42 A43Q35-A39 WeakPolarHBondContact O-CB 2.86Å; Q35-A39 PolarHBondContact O-N 3.38Å; K36-A39 WeakPolarHBondContact O-CB 3.3Å; K36-A39 PolarHBondContact O-N 3.13Å; A37-A39 PolarHBondContact O-N 3.17Å; A39-I42 PolarHBondContact O-N 2.98Å; A39-A43 PolarHBondContact O-N 2.96Å; A39-A43 VanDerWaalsContact O-N 3.13Å
40R92.1Very high93.4Very high95 Ų9560.8 Ų60.836%0.35831%0.305SS..Hα-helixtrans-62.8-47.1172.4-73.1-171.9-71-93.8-1112D12 K36 A37 I38 I42 A43 V44D12-R40 IonicContact OD1-CZ 3.77Å; D12-R40 IonicContact OD1-NH2 2.64Å; D12-R40 PolarHBondContact OD1-NH2 3.32Å; D12-R40 IonicContact OD2-CZ 3.7Å; D12-R40 IonicContact OD2-NH2 3.01Å; D12-R40 PolarHBondContact OD2-NH2 2.96Å; K36-R40 PolarHBondContact O-N 3.48Å; A37-R40 PolarHBondContact O-N 3.46Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3.19Å; R40-I42 VanDerWaalsContact C-N 3.32Å; R40-I42 PolarHBondContact O-N 3.4Å; R40-A43 WeakPolarHBondContact O-CB 3.25Å; R40-A43 PolarHBondContact O-N 2.87Å; R40-A43 VanDerWaalsContact O-N 3.14Å; R40-V44 WeakPolarHBondContact O-CG2 3.3Å; R40-V44 PolarHBondContact O-N 3.43Å
41N93.8Very high93.6Very high3 Ų362.2 Ų62.22%0.01629%0.293CS..Hα-helixtrans-57.5-45.4177.4-175.7-43.5000111.4I15 E16 L23 A37 I38 A43 V44 R45I15-N41 PolarHBondContact O-ND2 3.48Å; E16-N41 VanDerWaalsContact CA-ND2 3.26Å; E16-N41 WeakPolarHBondContact CA-ND2 3.44Å; E16-N41 PolarHBondContact O-ND2 3.3Å; L23-N41 HydrophobicContact CD2-CB 4.34Å; A37-N41 WeakPolarHBondContact O-CB 3.5Å; A37-N41 PolarHBondContact O-N 3.41Å; I38-N41 WeakPolarHBondContact O-CB 3.44Å; I38-N41 PolarHBondContact O-N 3.41Å; N41-A43 VanDerWaalsContact C-N 3.33Å; N41-A43 PolarHBondContact O-N 3.4Å; N41-V44 PolarHBondContact O-N 3.02Å; N41-R45 WeakPolarHBondContact O-CG 3.26Å; N41-R45 PolarHBondContact O-N 3.01Å; N41-R45 WeakPolarHBondContact OD1-CD 3.46Å; N41-R45 VanDerWaalsContact OD1-CZ 3.26Å; N41-R45 PolarHBondContact OD1-NE 3.03Å
42I95.6Very high93.7Very high3 Ų360.8 Ų60.82%0.01528%0.283CS..Hα-helixtrans-55.3-48.8174.9-70.7159.6000110.7I38 A39 R40 V44 R45 M46 I88 N102 V106 L109I38-I42 HydrophobicContact CG2-CD1 3.73Å; I38-I42 HydrophobicContact CG2-CG1 4.3Å; I38-I42 VanDerWaalsContact O-CG1 3.3Å; I38-I42 WeakPolarHBondContact O-CG1 3.42Å; I38-I42 PolarHBondContact O-N 2.9Å; A39-I42 PolarHBondContact O-N 2.98Å; R40-I42 VanDerWaalsContact C-N 3.32Å; R40-I42 PolarHBondContact O-N 3.4Å; I42-V44 PolarHBondContact O-N 3.26Å; I42-R45 PolarHBondContact O-N 3.41Å; I42-M46 VanDerWaalsContact O-CB 3.25Å; I42-M46 WeakPolarHBondContact O-CB 3.5Å; I42-M46 PolarHBondContact O-N 3.14Å; I42-I88 HydrophobicContact CG2-CG2 3.97Å; I42-N102 HydrophobicContact CD1-CB 4.01Å; I42-N102 WeakPolarHBondContact CD1-OD1 3.43Å; I42-V106 HydrophobicContact CD1-CG2 3.93Å; I42-V106 HydrophobicContact CG1-CG2 3.85Å; I42-L109 HydrophobicContact CB-CD1 4.43Å; I42-L109 HydrophobicContact CG1-CD1 4.32Å; I42-L109 HydrophobicContact CG2-CD1 4.2Å
43A94.7Very high93.9Very high51 Ų5152.3 Ų52.342%0.42125%0.251SS..Hα-helixtrans-60.5-46-179.200000112A39 R40 N41 R45 M46 D47A39-A43 PolarHBondContact O-N 2.96Å; A39-A43 VanDerWaalsContact O-N 3.13Å; R40-A43 WeakPolarHBondContact O-CB 3.25Å; R40-A43 PolarHBondContact O-N 2.87Å; R40-A43 VanDerWaalsContact O-N 3.14Å; N41-A43 VanDerWaalsContact C-N 3.33Å; N41-A43 PolarHBondContact O-N 3.4Å; A43-R45 PolarHBondContact O-N 2.87Å; A43-M46 PolarHBondContact O-N 2.94Å; A43-D47 WeakPolarHBondContact O-CB 3.35Å; A43-D47 PolarHBondContact O-N 3.43Å
44V94.1Very high94Very high96 Ų9652.1 Ų52.158%0.58225%0.253SS*.Hα-helixtrans-61.8-42.9177.8173.40000111.6R40 N41 I42 K48R40-V44 WeakPolarHBondContact O-CG2 3.3Å; R40-V44 PolarHBondContact O-N 3.43Å; N41-V44 PolarHBondContact O-N 3.02Å; I42-V44 PolarHBondContact O-N 3.26Å; V44-K48 WeakPolarHBondContact O-CB 3.43Å; V44-K48 PolarHBondContact O-N 3.48Å
45R94.9Very high93.9Very high56 Ų5656.4 Ų56.421%0.21128%0.276CS..Hα-helixtrans-70.8-38.3179.9-71.5-172.3178.1170.26.7112.8E16 L18 L20 N41 I42 A43 M49 L109E16-R45 PolarHBondContact O-NH2 3.2Å; L18-R45 VanDerWaalsContact O-CZ 3.24Å; L18-R45 PolarHBondContact O-NH1 3.32Å; L18-R45 PolarHBondContact O-NH2 2.98Å; L20-R45 VanDerWaalsContact CD2-NH1 3.26Å; N41-R45 WeakPolarHBondContact O-CG 3.26Å; N41-R45 PolarHBondContact O-N 3.01Å; N41-R45 WeakPolarHBondContact OD1-CD 3.46Å; N41-R45 VanDerWaalsContact OD1-CZ 3.26Å; N41-R45 PolarHBondContact OD1-NE 3.03Å; I42-R45 PolarHBondContact O-N 3.41Å; A43-R45 PolarHBondContact O-N 2.87Å; R45-M49 VanDerWaalsContact O-CB 3.27Å; R45-M49 WeakPolarHBondContact O-CB 3.28Å; R45-M49 PolarHBondContact O-N 3.25Å; R45-L109 HydrophobicContact CB-CD1 4.07Å; R45-L109 HydrophobicContact CB-CD2 4.45Å
46M95.7Very high93.7Very high50 Ų5057 Ų5725%0.24628%0.279CS..Hα-helixtrans-61.9-47.8174.9-175.7-169.475.700110.5I42 A43 M49 F50 L85 I88I42-M46 VanDerWaalsContact O-CB 3.25Å; I42-M46 WeakPolarHBondContact O-CB 3.5Å; I42-M46 PolarHBondContact O-N 3.14Å; A43-M46 PolarHBondContact O-N 2.94Å; M46-M49 PolarHBondContact O-N 3.34Å; M46-F50 WeakPolarHBondContact O-CB 3.34Å; M46-F50 PolarHBondContact O-N 3.28Å; M46-L85 HydrophobicContact CG-CD2 3.86Å; M46-I88 HydrophobicContact CG-CG2 4.34Å; M46-I88 HydrophobicContact SD-CB 4.27Å; M46-I88 HydrophobicContact SD-CG2 3.7Å
47D95.8Very high93.3Very high84 Ų8454.3 Ų54.345%0.44927%0.268SS..Hα-helixtrans-60.8-49.9178.1-176.468.5000111.4A43 M49 F50 W51A43-D47 WeakPolarHBondContact O-CB 3.35Å; A43-D47 PolarHBondContact O-N 3.43Å; D47-M49 VanDerWaalsContact C-N 3.28Å; D47-M49 PolarHBondContact O-N 2.98Å; D47-F50 WeakPolarHBondContact O-CB 3.4Å; D47-F50 PolarHBondContact O-N 2.92Å; D47-F50 VanDerWaalsContact O-N 3.15Å; D47-W51 PolarHBondContact O-N 3.3Å; D47-W51 PolarHBondContact OD1-NE1 2.78Å; D47-W51 PolarHBondContact OD2-NE1 3.09Å
48K94.7Very high92.7Very high147 Ų14762.3 Ų62.364%0.63930%0.299SS*.Hα-helixtrans-54.1-45.1175.4-178.9178.2177.6178.60112.2V44 E52V44-K48 WeakPolarHBondContact O-CB 3.43Å; V44-K48 PolarHBondContact O-N 3.48Å; K48-E52 VanDerWaalsContact O-CB 3.32Å; K48-E52 WeakPolarHBondContact O-CB 3.45Å; K48-E52 PolarHBondContact O-N 3.05Å
49M95.3Very high91.8Very high14 Ų1467.6 Ų67.67%0.06932%0.324CS..Hα-helixtrans-70.5-34.9-178.2-172173.4-77.300112.5R45 M46 D47 L53 L85 L109 L112 N113 M116R45-M49 VanDerWaalsContact O-CB 3.27Å; R45-M49 WeakPolarHBondContact O-CB 3.28Å; R45-M49 PolarHBondContact O-N 3.25Å; M46-M49 PolarHBondContact O-N 3.34Å; D47-M49 VanDerWaalsContact C-N 3.28Å; D47-M49 PolarHBondContact O-N 2.98Å; M49-L53 WeakPolarHBondContact O-CB 3.37Å; M49-L53 PolarHBondContact O-N 3.01Å; M49-L85 HydrophobicContact CB-CD2 4.45Å; M49-L85 HydrophobicContact CG-CD2 4.37Å; M49-L85 HydrophobicContact SD-CD2 4.15Å; M49-L109 HydrophobicContact CE-CD2 4.42Å; M49-L109 HydrophobicContact SD-CD2 4.28Å; M49-L112 HydrophobicContact CE-CB 3.82Å; M49-L112 HydrophobicContact SD-CB 3.3Å; M49-L112 WeakPolarHBondContact SD-CB 3.31Å; M49-L112 HydrophobicContact SD-CD1 3.66Å; M49-L112 HydrophobicContact SD-CG 4.1Å; M49-N113 HydrophobicContact CE-CB 4.41Å; M49-M116 HydrophobicContact CE-CG 4.19Å; M49-M116 HydrophobicContact CG-CE 4.49Å; M49-M116 HydrophobicContact CG-CG 3.92Å; M49-M116 HydrophobicContact CG-SD 4.27Å; M49-M116 HydrophobicContact SD-CG 4.18Å
50F95.4Very high90.9Very high95 Ų9566.7 Ų66.742%0.41732%0.315SS..Hα-helixtrans-62.1-49.7173.6171.7-99000111.4M46 D47 E52 L53 L54 L85M46-F50 WeakPolarHBondContact O-CB 3.34Å; M46-F50 PolarHBondContact O-N 3.28Å; D47-F50 WeakPolarHBondContact O-CB 3.4Å; D47-F50 PolarHBondContact O-N 2.92Å; D47-F50 VanDerWaalsContact O-N 3.15Å; F50-E52 VanDerWaalsContact C-N 3.32Å; F50-E52 PolarHBondContact O-N 3.35Å; F50-L53 PolarHBondContact O-N 3.28Å; F50-L54 HydrophobicContact CD1-CD1 4.02Å; F50-L54 HydrophobicContact CE1-CD1 3.35Å; F50-L54 HydrophobicContact CE1-CG 4.48Å; F50-L54 HydrophobicContact CE2-CD1 4.24Å; F50-L54 HydrophobicContact CZ-CD1 3.49Å; F50-L54 VanDerWaalsContact CZ-CD1 3.49Å; F50-L54 HydrophobicContact CZ-CG 4.34Å; F50-L54 PolarHBondContact O-N 2.96Å; F50-L85 HydrophobicContact CB-CD1 4.36Å
51W94.9Very high90.1Very high150 Ų15067.1 Ų67.157%0.56833%0.325SS*.Hα-helixtrans-63.4-39.5177.9-71.4114.2000112.6D47 L54 D55D47-W51 PolarHBondContact O-N 3.3Å; D47-W51 PolarHBondContact OD1-NE1 2.78Å; D47-W51 PolarHBondContact OD2-NE1 3.09Å; W51-L54 HydrophobicContact CE3-CD1 3.86Å; W51-L54 HydrophobicContact CZ3-CD1 3.92Å; W51-L54 WeakPolarHBondContact O-CB 3.45Å; W51-L54 PolarHBondContact O-N 2.91Å; W51-D55 PolarHBondContact O-N 3.24Å
52E94.5Very high88.9Confident47 Ų4772.3 Ų72.322%0.2235%0.352CS..Hα-helixtrans-64.6-39.9175.8-174.3172.7-155.500112.4K48 F50 L54 D55 L56 M116 R120K48-E52 VanDerWaalsContact O-CB 3.32Å; K48-E52 WeakPolarHBondContact O-CB 3.45Å; K48-E52 PolarHBondContact O-N 3.05Å; F50-E52 VanDerWaalsContact C-N 3.32Å; F50-E52 PolarHBondContact O-N 3.35Å; E52-L54 VanDerWaalsContact C-N 3.35Å; E52-D55 PolarHBondContact O-N 3.4Å; E52-L56 HydrophobicContact CG-CD1 4.23Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.35Å; E52-L56 PolarHBondContact O-N 3.02Å; E52-M116 HydrophobicContact CB-CE 3.85Å; E52-M116 HydrophobicContact CG-CE 3.49Å; E52-M116 VanDerWaalsContact CG-CE 3.49Å; E52-R120 IonicContact OE1-CZ 2.74Å; E52-R120 IonicContact OE1-NE 3.07Å; E52-R120 PolarHBondContact OE1-NE 3.21Å; E52-R120 IonicContact OE1-NH2 3.28Å; E52-R120 PolarHBondContact OE1-NH2 2.96Å; E52-R120 IonicContact OE2-CZ 2.76Å; E52-R120 IonicContact OE2-NH2 2.63Å; E52-R120 PolarHBondContact OE2-NH2 3.26Å
53L94.5Very high87.9Confident4 Ų474.4 Ų74.42%0.02136%0.364CS..Hα-helixtrans-63.9-41.5175.4-178.865000111.8M49 F50 D55 L56 D57 R78 I81 R82 L85 M116 L119M49-L53 WeakPolarHBondContact O-CB 3.37Å; M49-L53 PolarHBondContact O-N 3.01Å; F50-L53 PolarHBondContact O-N 3.28Å; L53-D55 VanDerWaalsContact C-N 3.34Å; L53-D55 PolarHBondContact O-N 3.43Å; L53-L56 PolarHBondContact O-N 2.96Å; L53-D57 WeakPolarHBondContact O-CB 3.35Å; L53-D57 VanDerWaalsContact O-CG 3.28Å; L53-D57 PolarHBondContact O-N 3.06Å; L53-R78 HydrophobicContact CD1-CB 4.46Å; L53-R78 HydrophobicContact CD1-CG 4.19Å; L53-I81 HydrophobicContact CD1-CG2 4.41Å; L53-I81 HydrophobicContact CD2-CB 4.28Å; L53-I81 HydrophobicContact CD2-CG2 3.78Å; L53-R82 HydrophobicContact CD2-CG 3.53Å; L53-L85 HydrophobicContact CD2-CD1 4.37Å; L53-M116 HydrophobicContact CB-CE 4.31Å; L53-M116 HydrophobicContact CB-SD 4.49Å; L53-M116 HydrophobicContact CD1-SD 4.34Å; L53-L119 HydrophobicContact CD1-CD1 3.66Å
54L91.2Very high86.9Confident76 Ų7680.2 Ų80.240%0.39838%0.382SS..Hα-helixtrans-60-41.8175.8-92.6167.8000112.6F50 W51 E52 D57 Y58F50-L54 HydrophobicContact CD1-CD1 4.02Å; F50-L54 HydrophobicContact CE1-CD1 3.35Å; F50-L54 HydrophobicContact CE1-CG 4.48Å; F50-L54 HydrophobicContact CE2-CD1 4.24Å; F50-L54 HydrophobicContact CZ-CD1 3.49Å; F50-L54 VanDerWaalsContact CZ-CD1 3.49Å; F50-L54 HydrophobicContact CZ-CG 4.34Å; F50-L54 PolarHBondContact O-N 2.96Å; W51-L54 HydrophobicContact CE3-CD1 3.86Å; W51-L54 HydrophobicContact CZ3-CD1 3.92Å; W51-L54 WeakPolarHBondContact O-CB 3.45Å; W51-L54 PolarHBondContact O-N 2.91Å; E52-L54 VanDerWaalsContact C-N 3.35Å; L54-D57 WeakPolarHBondContact O-CB 3.48Å; L54-D57 PolarHBondContact O-N 3.16Å; L54-Y58 PolarHBondContact O-N 3.42Å
55D89.5Confident86.3Confident94 Ų9481.1 Ų81.150%0.50339%0.388SS..Hα-helixtrans-64-46.6176.3-172.962.3000111.1W51 E52 L53 D57 Y58 H59W51-D55 PolarHBondContact O-N 3.24Å; E52-D55 PolarHBondContact O-N 3.4Å; L53-D55 VanDerWaalsContact C-N 3.34Å; L53-D55 PolarHBondContact O-N 3.43Å; D55-D57 VanDerWaalsContact C-N 3.31Å; D55-D57 PolarHBondContact O-N 3.06Å; D55-Y58 PolarHBondContact O-N 2.92Å; D55-H59 PolarHBondContact O-CD2 2.69Å; D55-H59 PolarHBondContact O-N 3.15Å; D55-H59 IonicContact OD1-NE2 2.85Å
56L88.2Confident85.9Confident23 Ų2379.3 Ų79.312%0.1238%0.381CS..Hα-helixtrans-64.4-33.9177.6-68.1171.6000112.8E52 L53 H59 C60 M116 L119 R120E52-L56 HydrophobicContact CG-CD1 4.23Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.35Å; E52-L56 PolarHBondContact O-N 3.02Å; L53-L56 PolarHBondContact O-N 2.96Å; L56-H59 PolarHBondContact O-N 3.25Å; L56-C60 WeakPolarHBondContact O-CB 3.43Å; L56-C60 PolarHBondContact O-N 2.88Å; L56-C60 PolarHBondContact O-SG 3.05Å; L56-M116 HydrophobicContact CD1-CE 3.69Å; L56-L119 HydrophobicContact CD1-CB 3.88Å; L56-R120 HydrophobicContact CD1-CG 4.3Å
57D85.5Confident85.6Confident19 Ų1979.6 Ų79.610%0.10239%0.388CS..Hα-helixtrans-58.5-47.5174.7-83.1-36.5000112.2L53 L54 D55 H59 C60 D61 R78 R82L53-D57 WeakPolarHBondContact O-CB 3.35Å; L53-D57 VanDerWaalsContact O-CG 3.28Å; L53-D57 PolarHBondContact O-N 3.06Å; L54-D57 WeakPolarHBondContact O-CB 3.48Å; L54-D57 PolarHBondContact O-N 3.16Å; D55-D57 VanDerWaalsContact C-N 3.31Å; D55-D57 PolarHBondContact O-N 3.06Å; D57-H59 PolarHBondContact O-N 3.1Å; D57-C60 PolarHBondContact O-N 2.69Å; D57-D61 PolarHBondContact O-N 3.29Å; D57-R78 WeakPolarHBondContact OD1-CD 3.39Å; D57-R78 IonicContact OD1-CZ 3.71Å; D57-R78 IonicContact OD1-NE 3.76Å; D57-R78 IonicContact OD1-NH1 2.65Å; D57-R78 PolarHBondContact OD1-NH1 3.47Å; D57-R82 IonicContact OD1-CZ 3.57Å; D57-R82 IonicContact OD1-NH2 3.59Å; D57-R82 PolarHBondContact OD1-NH2 3.5Å; D57-R82 IonicContact OD2-CZ 3.91Å; D57-R82 IonicContact OD2-NE 3.93Å; D57-R82 IonicContact OD2-NH2 3.7Å; D57-R82 PolarHBondContact OD2-NH2 3.2Å
58Y78.3Confident85.2Confident168 Ų16881.5 Ų81.566%0.65940%0.397SS*.Hα-helixtrans-61-34.3180-175.8-99.1000111.9L54 D55 N62L54-Y58 PolarHBondContact O-N 3.42Å; D55-Y58 PolarHBondContact O-N 2.92Å; Y58-N62 PolarHBondContact O-ND2 2.9Å
59H74.7Confident85Confident112 Ų11278.1 Ų78.152%0.51939%0.392SS..Hα-helixtrans-78.5-42177.7-69.3-58000113.4D55 L56 D57D55-H59 PolarHBondContact O-CD2 2.69Å; D55-H59 PolarHBondContact O-N 3.15Å; D55-H59 IonicContact OD1-NE2 2.85Å; L56-H59 PolarHBondContact O-N 3.25Å; D57-H59 PolarHBondContact O-N 3.1Å
60C75.7Confident84.8Confident13 Ų1377.4 Ų77.49%0.08839%0.389CS..Hα-helixtrans-68.6-38.4-174.8-68.90000113.4L56 D57 N62 D63 W66L56-C60 WeakPolarHBondContact O-CB 3.43Å; L56-C60 PolarHBondContact O-N 2.88Å; L56-C60 PolarHBondContact O-SG 3.05Å; D57-C60 PolarHBondContact O-N 2.69Å; C60-N62 PolarHBondContact O-N 3.44Å; C60-D63 PolarHBondContact O-N 3.06Å; C60-W66 HydrophobicContact CB-CH2 3.92Å; C60-W66 HydrophobicContact CB-CZ3 3.96Å
61D74.4Confident84.5Confident104 Ų10476.9 Ų76.956%0.55638%0.384SS*.THydrogen-bonded Turntrans-71.4-15.3-173.9-69.6-16.3000113D57 R78D57-D61 PolarHBondContact O-N 3.29Å; D61-R78 IonicContact OD1-CZ 2.75Å; D61-R78 VanDerWaalsContact OD1-CZ 3.28Å; D61-R78 IonicContact OD1-NH1 2.8Å; D61-R78 PolarHBondContact OD1-NH1 2.95Å; D61-R78 IonicContact OD1-NH2 3.61Å; D61-R78 PolarHBondContact OD1-NH2 3.32Å; D61-R78 IonicContact OD2-NH1 3.66Å
62N70.2Confident84.3Confident112 Ų11276.2 Ų76.260%0.59939%0.385SS*.THydrogen-bonded Turntrans-92.1-10.3-179.3-72.1-48.2000114.1Y58 C60 Q64Y58-N62 PolarHBondContact O-ND2 2.9Å; C60-N62 PolarHBondContact O-N 3.44Å; N62-Q64 PolarHBondContact O-N 3.05Å
63D73.6Confident84.2Confident48 Ų4874.5 Ų74.526%0.25738%0.378SS..  trans-84.6104.1-177.4-161.9-24.7000112C60 T65 W66 R71C60-D63 PolarHBondContact O-N 3.06Å; D63-T65 VanDerWaalsContact C-N 3.3Å; D63-T65 PolarHBondContact O-N 3.45Å; D63-T65 WeakPolarHBondContact OD1-CB 3.3Å; D63-T65 PolarHBondContact OD1-N 2.88Å; D63-T65 PolarHBondContact OD1-OG1 3.26Å; D63-W66 HydrophobicContact CB-CD2 4.17Å; D63-W66 HydrophobicContact CB-CZ2 4.1Å; D63-W66 VanDerWaalsContact CG-NE1 3.28Å; D63-W66 PolarHBondContact OD2-NE1 2.95Å; D63-R71 VanDerWaalsContact O-CZ 3.28Å; D63-R71 PolarHBondContact O-NH1 3.45Å; D63-R71 PolarHBondContact O-NH2 3.07Å
64Q73Confident84.1Confident172 Ų17274.3 Ų74.380%0.80438%0.378SS*.THydrogen-bonded Turntrans-81.7-3.5178.4-65.1-1706.100114.2N62 R71N62-Q64 PolarHBondContact O-N 3.05Å; Q64-R71 PolarHBondContact O-NH2 3.49Å
65T82.1Confident84.1Confident116 Ų11674.9 Ų74.971%0.71238%0.379SS*.THydrogen-bonded Turntrans-85.3-17.1-175.768.60000113.4D63D63-T65 VanDerWaalsContact C-N 3.3Å; D63-T65 PolarHBondContact O-N 3.45Å; D63-T65 WeakPolarHBondContact OD1-CB 3.3Å; D63-T65 PolarHBondContact OD1-N 2.88Å; D63-T65 PolarHBondContact OD1-OG1 3.26Å
66W87.2Confident84.3Confident17 Ų1774.9 Ų74.96%0.06437%0.372CS..SBendtrans-74139.9-175-64.4-1.7000112.5C60 D63 F70 R71 I74 P122C60-W66 HydrophobicContact CB-CH2 3.92Å; C60-W66 HydrophobicContact CB-CZ3 3.96Å; D63-W66 HydrophobicContact CB-CD2 4.17Å; D63-W66 HydrophobicContact CB-CZ2 4.1Å; D63-W66 VanDerWaalsContact CG-NE1 3.28Å; D63-W66 PolarHBondContact OD2-NE1 2.95Å; W66-F70 HydrophobicContact CB-CD1 3.79Å; W66-F70 HydrophobicContact CB-CE1 4.41Å; W66-F70 AromaticContact CD2-CD1 3.59Å; W66-F70 HydrophobicContact CD2-CD1 3.59Å; W66-F70 AromaticContact CD2-CE1 3.37Å; W66-F70 HydrophobicContact CD2-CE1 3.37Å; W66-F70 AromaticContact CE2-CE1 3.7Å; W66-F70 AromaticContact CE3-CD1 3.67Å; W66-F70 HydrophobicContact CE3-CD1 3.67Å; W66-F70 AromaticContact CE3-CE1 3.54Å; W66-F70 HydrophobicContact CE3-CE1 3.54Å; W66-F70 AromaticContact CG-CD1 3.63Å; W66-F70 HydrophobicContact CG-CD1 3.63Å; W66-F70 AromaticContact CG-CE1 3.75Å; W66-F70 HydrophobicContact CG-CE1 3.75Å; W66-F70 HydrophobicContact CH2-CE1 4.29Å; W66-F70 HydrophobicContact CZ2-CE1 4.16Å; W66-F70 HydrophobicContact CZ3-CD1 4.48Å; W66-F70 HydrophobicContact CZ3-CE1 4.01Å; W66-R71 HydrophobicContact CB-CG 3.64Å; W66-R71 HydrophobicContact CE3-CG 4.13Å; W66-R71 PolarHBondContact O-NE 3.33Å; W66-R71 PolarHBondContact O-NH2 3.15Å; W66-R71 VanDerWaalsContact O-NH2 3.11Å; W66-I74 HydrophobicContact CZ3-CB 4.41Å; W66-I74 HydrophobicContact CZ3-CG1 4.27Å; W66-I74 HydrophobicContact CZ3-CG2 4.13Å; W66-P122 HydrophobicContact CH2-CG 4.01Å; W66-P122 HydrophobicContact CZ2-CG 4.04Å
67S88.8Confident84.6Confident56 Ų5673.8 Ų73.839%0.39237%0.367SS..  trans-60.8150.6170.973.40000110.9S69 F70 R71S67-S69 VanDerWaalsContact C-N 3.3Å; S67-S69 PolarHBondContact O-N 3.07Å; S67-F70 PolarHBondContact O-N 3.27Å; S67-F70 VanDerWaalsContact O-N 3.16Å; S67-F70 WeakPolarHBondContact OG-CB 3.3Å; S67-F70 PolarHBondContact OG-N 3.01Å; S67-R71 WeakPolarHBondContact O-CG 3.45Å; S67-R71 PolarHBondContact O-N 2.77Å
68I88.2Confident85Confident124 Ų12473.4 Ų73.464%0.63636%0.364SS*.Hα-helixtrans-56.6-45.3-177.7-67.5172.5000111.1F70 R71 F72I68-F70 PolarHBondContact O-N 2.97Å; I68-R71 PolarHBondContact O-N 2.95Å; I68-F72 HydrophobicContact CG2-CD2 3.56Å; I68-F72 HydrophobicContact CG2-CE2 3.32Å; I68-F72 HydrophobicContact CG2-CZ 4.48Å; I68-F72 VanDerWaalsContact O-CD2 3.23Å; I68-F72 WeakPolarHBondContact O-CD2 3.43Å; I68-F72 PolarHBondContact O-N 3.39Å
69S90.7Very high85.7Confident76 Ų7669.1 Ų69.153%0.53135%0.352SS..Hα-helixtrans-61.2-43178.9-51.20000112.2S67 F72 S73S67-S69 VanDerWaalsContact C-N 3.3Å; S67-S69 PolarHBondContact O-N 3.07Å; S69-F72 PolarHBondContact O-N 3.34Å; S69-S73 PolarHBondContact O-N 2.66Å; S69-S73 PolarHBondContact O-OG 3.2Å
70F91.2Very high86.6Confident0 Ų064.1 Ų64.10%033%0.329CS..Hα-helixtrans-63-44.5177.3-178.7-95.3000111.6W66 S67 I68 F72 S73 I74 P122 L126 V129 L132W66-F70 HydrophobicContact CB-CD1 3.79Å; W66-F70 HydrophobicContact CB-CE1 4.41Å; W66-F70 AromaticContact CD2-CD1 3.59Å; W66-F70 HydrophobicContact CD2-CD1 3.59Å; W66-F70 AromaticContact CD2-CE1 3.37Å; W66-F70 HydrophobicContact CD2-CE1 3.37Å; W66-F70 AromaticContact CE2-CE1 3.7Å; W66-F70 AromaticContact CE3-CD1 3.67Å; W66-F70 HydrophobicContact CE3-CD1 3.67Å; W66-F70 AromaticContact CE3-CE1 3.54Å; W66-F70 HydrophobicContact CE3-CE1 3.54Å; W66-F70 AromaticContact CG-CD1 3.63Å; W66-F70 HydrophobicContact CG-CD1 3.63Å; W66-F70 AromaticContact CG-CE1 3.75Å; W66-F70 HydrophobicContact CG-CE1 3.75Å; W66-F70 HydrophobicContact CH2-CE1 4.29Å; W66-F70 HydrophobicContact CZ2-CE1 4.16Å; W66-F70 HydrophobicContact CZ3-CD1 4.48Å; W66-F70 HydrophobicContact CZ3-CE1 4.01Å; S67-F70 PolarHBondContact O-N 3.27Å; S67-F70 VanDerWaalsContact O-N 3.16Å; S67-F70 WeakPolarHBondContact OG-CB 3.3Å; S67-F70 PolarHBondContact OG-N 3.01Å; I68-F70 PolarHBondContact O-N 2.97Å; F70-F72 VanDerWaalsContact C-N 3.33Å; F70-F72 PolarHBondContact O-N 3.02Å; F70-S73 PolarHBondContact O-N 3.27Å; F70-I74 HydrophobicContact CD1-CG1 4.12Å; F70-I74 HydrophobicContact CE1-CD1 4.46Å; F70-I74 HydrophobicContact CE1-CG1 3.82Å; F70-I74 HydrophobicContact CZ-CD1 4.25Å; F70-I74 HydrophobicContact CZ-CG1 4.09Å; F70-I74 WeakPolarHBondContact O-CG1 3.32Å; F70-I74 PolarHBondContact O-N 3.32Å; F70-P122 HydrophobicContact CE1-CB 4.36Å; F70-P122 WeakPolarHBondContact CE2-O 3.33Å; F70-P122 HydrophobicContact CZ-CB 3.75Å; F70-P122 WeakPolarHBondContact CZ-O 3.3Å; F70-L126 HydrophobicContact CD1-CD1 4.13Å; F70-L126 HydrophobicContact CD2-CD1 4.27Å; F70-L126 HydrophobicContact CE1-CD1 4.29Å; F70-L126 HydrophobicContact CE2-CB 4.41Å; F70-L126 HydrophobicContact CE2-CD1 4.43Å; F70-L126 HydrophobicContact CG-CD1 4.07Å; F70-L126 HydrophobicContact CZ-CD1 4.39Å; F70-V129 HydrophobicContact CB-CG1 4.47Å; F70-V129 HydrophobicContact CB-CG2 4.03Å; F70-V129 HydrophobicContact CD2-CG2 4.14Å; F70-L132 HydrophobicContact CD2-CD2 3.91Å; F70-L132 HydrophobicContact CE2-CD2 3.9Å
71R89.1Confident87.6Confident84 Ų8463.5 Ų63.532%0.31733%0.325SS..Hα-helixtrans-57.9-45.4175.5-67.7-175.5-160.9-151.911.7112D63 Q64 W66 S67 I68 S73 I74 M75D63-R71 VanDerWaalsContact O-CZ 3.28Å; D63-R71 PolarHBondContact O-NH1 3.45Å; D63-R71 PolarHBondContact O-NH2 3.07Å; Q64-R71 PolarHBondContact O-NH2 3.49Å; W66-R71 HydrophobicContact CB-CG 3.64Å; W66-R71 HydrophobicContact CE3-CG 4.13Å; W66-R71 PolarHBondContact O-NE 3.33Å; W66-R71 PolarHBondContact O-NH2 3.15Å; W66-R71 VanDerWaalsContact O-NH2 3.11Å; S67-R71 WeakPolarHBondContact O-CG 3.45Å; S67-R71 PolarHBondContact O-N 2.77Å; I68-R71 PolarHBondContact O-N 2.95Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.42Å; R71-I74 PolarHBondContact O-N 2.82Å; R71-M75 WeakPolarHBondContact O-CB 3.48Å; R71-M75 VanDerWaalsContact O-CG 3.3Å; R71-M75 WeakPolarHBondContact O-CG 3.42Å; R71-M75 PolarHBondContact O-N 3Å
72F90Very high88.5Confident135 Ų13562.9 Ų62.959%0.59232%0.315SS*.Hα-helixtrans-61.1-42.5177.4-82-59.9000112.2I68 S69 F70 M75 R76I68-F72 HydrophobicContact CG2-CD2 3.56Å; I68-F72 HydrophobicContact CG2-CE2 3.32Å; I68-F72 HydrophobicContact CG2-CZ 4.48Å; I68-F72 VanDerWaalsContact O-CD2 3.23Å; I68-F72 WeakPolarHBondContact O-CD2 3.43Å; I68-F72 PolarHBondContact O-N 3.39Å; S69-F72 PolarHBondContact O-N 3.34Å; F70-F72 VanDerWaalsContact C-N 3.33Å; F70-F72 PolarHBondContact O-N 3.02Å; F72-M75 PolarHBondContact O-N 2.97Å; F72-R76 WeakPolarHBondContact O-CB 3.45Å; F72-R76 PolarHBondContact O-N 3.17Å
73S93Very high89.6Confident11 Ų1161.6 Ų61.68%0.07731%0.305CS..Hα-helixtrans-60.5-46175-59.30000111.5S69 F70 R71 R76 L77 S133 I136S69-S73 PolarHBondContact O-N 2.66Å; S69-S73 PolarHBondContact O-OG 3.2Å; F70-S73 PolarHBondContact O-N 3.27Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.42Å; S73-R76 PolarHBondContact O-N 2.92Å; S73-L77 WeakPolarHBondContact O-CB 3.39Å; S73-L77 PolarHBondContact O-N 3.28Å; S73-S133 PolarHBondContact OG-OG 2.74Å; S73-I136 WeakPolarHBondContact O-CD1 3.32Å
74I92.3Very high90.7Very high1 Ų159.3 Ų59.31%0.00529%0.293CS..Hα-helixtrans-64.5-44.5177.3-63.5-59.6000111.7W66 F70 R71 R76 L77 R78 L119 P122 L132W66-I74 HydrophobicContact CZ3-CB 4.41Å; W66-I74 HydrophobicContact CZ3-CG1 4.27Å; W66-I74 HydrophobicContact CZ3-CG2 4.13Å; F70-I74 HydrophobicContact CD1-CG1 4.12Å; F70-I74 HydrophobicContact CE1-CD1 4.46Å; F70-I74 HydrophobicContact CE1-CG1 3.82Å; F70-I74 HydrophobicContact CZ-CD1 4.25Å; F70-I74 HydrophobicContact CZ-CG1 4.09Å; F70-I74 WeakPolarHBondContact O-CG1 3.32Å; F70-I74 PolarHBondContact O-N 3.32Å; R71-I74 PolarHBondContact O-N 2.82Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 3.41Å; I74-L77 PolarHBondContact O-N 3.35Å; I74-R78 VanDerWaalsContact O-CG 3.29Å; I74-R78 WeakPolarHBondContact O-CG 3.38Å; I74-R78 PolarHBondContact O-N 3.3Å; I74-L119 HydrophobicContact CD1-CD2 4.27Å; I74-L119 HydrophobicContact CG2-CD2 3.91Å; I74-P122 HydrophobicContact CD1-CB 3.6Å; I74-P122 HydrophobicContact CG1-CB 4.36Å; I74-L132 HydrophobicContact CD1-CD2 3.92Å; I74-L132 HydrophobicContact CG1-CD2 4.41Å
75M91.3Very high91.8Very high88 Ų8851.7 Ų51.743%0.43326%0.258SS..Hα-helixtrans-57.7-44.4174.5-74178.475.500111.9R71 F72 R78 N79R71-M75 WeakPolarHBondContact O-CB 3.48Å; R71-M75 VanDerWaalsContact O-CG 3.3Å; R71-M75 WeakPolarHBondContact O-CG 3.42Å; R71-M75 PolarHBondContact O-N 3Å; F72-M75 PolarHBondContact O-N 2.97Å; M75-R78 PolarHBondContact O-N 3.26Å; M75-N79 PolarHBondContact O-N 3.46Å
76R93Very high92.3Very high94 Ų9448.2 Ų48.236%0.35524%0.241SC..Hα-helixtrans-63.6-45.7177.6-176.1178.2168.9-150.2-4.4111.5F72 S73 I74 R78 N79 I80 I136 D137 E140F72-R76 WeakPolarHBondContact O-CB 3.45Å; F72-R76 PolarHBondContact O-N 3.17Å; S73-R76 PolarHBondContact O-N 2.92Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 3.41Å; R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 3.01Å; R76-N79 PolarHBondContact O-N 3.41Å; R76-I80 HydrophobicContact CG-CD1 3.94Å; R76-I80 WeakPolarHBondContact O-CG1 3.27Å; R76-I80 PolarHBondContact O-N 3.24Å; R76-I136 HydrophobicContact CG-CG2 4.02Å; R76-D137 IonicContact CZ-OD1 2.71Å; R76-D137 IonicContact NH1-OD1 3.03Å; R76-D137 PolarHBondContact NH1-OD1 3.44Å; R76-D137 IonicContact NH2-OD1 2.73Å; R76-D137 PolarHBondContact NH2-OD1 2.6Å; R76-E140 IonicContact CZ-OE2 2.69Å; R76-E140 IonicContact NE-OE2 3.17Å; R76-E140 IonicContact NH2-OE2 3.73Å; R76-E140 PolarHBondContact NH2-OE2 3.26Å
77L94.5Very high92.6Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-57.3-45.7176.9-177.853.3000111.5S73 I74 N79 I80 I81 A115 I118 L119 I136 F139S73-L77 WeakPolarHBondContact O-CB 3.39Å; S73-L77 PolarHBondContact O-N 3.28Å; I74-L77 PolarHBondContact O-N 3.35Å; L77-N79 PolarHBondContact O-N 3.31Å; L77-I80 PolarHBondContact O-N 3.45Å; L77-I81 HydrophobicContact CD1-CD1 4.32Å; L77-I81 HydrophobicContact CG-CD1 4.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.15Å; L77-I81 PolarHBondContact O-N 3.37Å; L77-A115 HydrophobicContact CD1-CB 3.82Å; L77-I118 HydrophobicContact CD2-CB 4Å; L77-I118 HydrophobicContact CD2-CG2 3.58Å; L77-L119 HydrophobicContact CB-CD2 4.38Å; L77-L119 HydrophobicContact CD2-CD2 3.74Å; L77-L119 HydrophobicContact CD2-CG 3.89Å; L77-L119 HydrophobicContact CG-CD2 4.07Å; L77-L119 HydrophobicContact CG-CG 4.17Å; L77-I136 HydrophobicContact CB-CD1 4.05Å; L77-I136 HydrophobicContact CB-CG1 4Å; L77-I136 HydrophobicContact CD1-CG1 4.15Å; L77-I136 HydrophobicContact CD2-CG1 4.49Å; L77-I136 HydrophobicContact CG-CG1 4.44Å; L77-F139 HydrophobicContact CD1-CD2 3.96Å; L77-F139 HydrophobicContact CD1-CE2 4.42Å
78R93.4Very high92.9Very high11 Ų1145.1 Ų45.14%0.04222%0.221CC..Hα-helixtrans-60.3-45.8175.8-70-174.6-80.5171.4-3.2112.4L53 D57 D61 I74 M75 R76 I80 I81 R82 L119L53-R78 HydrophobicContact CD1-CB 4.46Å; L53-R78 HydrophobicContact CD1-CG 4.19Å; D57-R78 WeakPolarHBondContact OD1-CD 3.39Å; D57-R78 IonicContact OD1-CZ 3.71Å; D57-R78 IonicContact OD1-NE 3.76Å; D57-R78 IonicContact OD1-NH1 2.65Å; D57-R78 PolarHBondContact OD1-NH1 3.47Å; D61-R78 IonicContact OD1-CZ 2.75Å; D61-R78 VanDerWaalsContact OD1-CZ 3.28Å; D61-R78 IonicContact OD1-NH1 2.8Å; D61-R78 PolarHBondContact OD1-NH1 2.95Å; D61-R78 IonicContact OD1-NH2 3.61Å; D61-R78 PolarHBondContact OD1-NH2 3.32Å; D61-R78 IonicContact OD2-NH1 3.66Å; I74-R78 VanDerWaalsContact O-CG 3.29Å; I74-R78 WeakPolarHBondContact O-CG 3.38Å; I74-R78 PolarHBondContact O-N 3.3Å; M75-R78 PolarHBondContact O-N 3.26Å; R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 3.01Å; R78-I80 VanDerWaalsContact C-N 3.32Å; R78-I80 PolarHBondContact O-N 3.43Å; R78-I81 PolarHBondContact O-N 3.3Å; R78-I81 VanDerWaalsContact O-N 3.15Å; R78-R82 WeakPolarHBondContact O-CG 3.26Å; R78-R82 PolarHBondContact O-N 3.46Å; R78-L119 HydrophobicContact CG-CD1 3.76Å; R78-L119 HydrophobicContact CG-CD2 3.91Å
79N92.8Very high93.2Very high77 Ų7745.2 Ų45.241%0.41222%0.219SC..Hα-helixtrans-60.1-42.9177.4-74.6-13.6000112M75 R76 L77 I81 R82 Q83M75-N79 PolarHBondContact O-N 3.46Å; R76-N79 PolarHBondContact O-N 3.41Å; L77-N79 PolarHBondContact O-N 3.31Å; N79-I81 VanDerWaalsContact C-N 3.32Å; N79-I81 PolarHBondContact O-N 3.46Å; N79-R82 PolarHBondContact O-N 2.91Å; N79-R82 PolarHBondContact OD1-NH1 2.94Å; N79-Q83 WeakPolarHBondContact O-CB 3.5Å; N79-Q83 VanDerWaalsContact O-CG 3.32Å; N79-Q83 WeakPolarHBondContact O-CG 3.48Å; N79-Q83 PolarHBondContact O-N 2.99Å
80I94.3Very high93.2Very high7 Ų744.4 Ų44.44%0.03621%0.211CC..Hα-helixtrans-60.3-43.5175.1-71.7161.7000110.6R76 L77 R78 Q83 A84 I136 E140 L143 F157R76-I80 HydrophobicContact CG-CD1 3.94Å; R76-I80 WeakPolarHBondContact O-CG1 3.27Å; R76-I80 PolarHBondContact O-N 3.24Å; L77-I80 PolarHBondContact O-N 3.45Å; R78-I80 VanDerWaalsContact C-N 3.32Å; R78-I80 PolarHBondContact O-N 3.43Å; I80-Q83 PolarHBondContact O-N 3.15Å; I80-A84 VanDerWaalsContact O-CB 3.29Å; I80-A84 WeakPolarHBondContact O-CB 3.32Å; I80-A84 PolarHBondContact O-N 2.88Å; I80-I136 HydrophobicContact CD1-CG2 3.4Å; I80-E140 HydrophobicContact CD1-CB 4.13Å; I80-L143 HydrophobicContact CG2-CD1 3.31Å; I80-F157 HydrophobicContact CG2-CE1 4.45Å
81I95.9Very high93.2Very high0 Ų044.4 Ų44.40%021%0.211CC..Hα-helixtrans-62.3-46.5177.8-66.2162.1000111L53 L77 R78 N79 Q83 A84 L85 L112 A115 M116 L119L53-I81 HydrophobicContact CD1-CG2 4.41Å; L53-I81 HydrophobicContact CD2-CB 4.28Å; L53-I81 HydrophobicContact CD2-CG2 3.78Å; L77-I81 HydrophobicContact CD1-CD1 4.32Å; L77-I81 HydrophobicContact CG-CD1 4.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.15Å; L77-I81 PolarHBondContact O-N 3.37Å; R78-I81 PolarHBondContact O-N 3.3Å; R78-I81 VanDerWaalsContact O-N 3.15Å; N79-I81 VanDerWaalsContact C-N 3.32Å; N79-I81 PolarHBondContact O-N 3.46Å; I81-Q83 PolarHBondContact O-N 2.99Å; I81-A84 PolarHBondContact O-N 3.44Å; I81-L85 HydrophobicContact CG2-CD1 4.19Å; I81-L85 HydrophobicContact CG2-CG 4.47Å; I81-L85 WeakPolarHBondContact O-CG 3.23Å; I81-L85 PolarHBondContact O-N 3.46Å; I81-L112 HydrophobicContact CB-CD2 4.04Å; I81-L112 HydrophobicContact CG1-CD2 3.92Å; I81-L112 HydrophobicContact CG2-CD2 3.88Å; I81-A115 HydrophobicContact CD1-CB 3.82Å; I81-A115 HydrophobicContact CG1-CB 3.87Å; I81-M116 HydrophobicContact CD1-SD 3.81Å; I81-M116 HydrophobicContact CG2-SD 4.14Å; I81-L119 HydrophobicContact CD1-CD1 3.3Å; I81-L119 HydrophobicContact CD1-CG 4.09Å
82R94.6Very high93.2Very high92 Ų9244.2 Ų44.235%0.34721%0.213SC..Hα-helixtrans-59.6-46.5177.7-66.8-173.4-166.1105.8-3.6112.1L53 D57 R78 N79 A84 L85 A86L53-R82 HydrophobicContact CD2-CG 3.53Å; D57-R82 IonicContact OD1-CZ 3.57Å; D57-R82 IonicContact OD1-NH2 3.59Å; D57-R82 PolarHBondContact OD1-NH2 3.5Å; D57-R82 IonicContact OD2-CZ 3.91Å; D57-R82 IonicContact OD2-NE 3.93Å; D57-R82 IonicContact OD2-NH2 3.7Å; D57-R82 PolarHBondContact OD2-NH2 3.2Å; R78-R82 WeakPolarHBondContact O-CG 3.26Å; R78-R82 PolarHBondContact O-N 3.46Å; N79-R82 PolarHBondContact O-N 2.91Å; N79-R82 PolarHBondContact OD1-NH1 2.94Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 2.99Å; R82-L85 PolarHBondContact O-N 2.9Å; R82-A86 PolarHBondContact O-N 2.93Å
83Q93.3Very high93.1Very high85 Ų8545.8 Ų45.840%0.39722%0.223SC..Hα-helixtrans-62.1-41.3178-73.7176.422.400111.2N79 I80 I81 A86 V87 F157N79-Q83 WeakPolarHBondContact O-CB 3.5Å; N79-Q83 VanDerWaalsContact O-CG 3.32Å; N79-Q83 WeakPolarHBondContact O-CG 3.48Å; N79-Q83 PolarHBondContact O-N 2.99Å; I80-Q83 PolarHBondContact O-N 3.15Å; I81-Q83 PolarHBondContact O-N 2.99Å; Q83-A86 PolarHBondContact O-N 3.26Å; Q83-V87 WeakPolarHBondContact O-CG2 3.24Å; Q83-V87 PolarHBondContact O-N 2.98Å; Q83-F157 HydrophobicContact CB-CD1 3.97Å; Q83-F157 HydrophobicContact CB-CE1 3.42Å; Q83-F157 VanDerWaalsContact CB-CE1 3.42Å; Q83-F157 HydrophobicContact CB-CZ 4.33Å
84A95.6Very high92.9Very high0 Ų048.5 Ų48.50%023%0.231CC..Hα-helixtrans-64.9-39.3175.900000113.2I80 I81 R82 V87 I88 I108 L112 L143 F157I80-A84 VanDerWaalsContact O-CB 3.29Å; I80-A84 WeakPolarHBondContact O-CB 3.32Å; I80-A84 PolarHBondContact O-N 2.88Å; I81-A84 PolarHBondContact O-N 3.44Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 2.99Å; A84-V87 PolarHBondContact O-N 3.19Å; A84-I88 WeakPolarHBondContact O-CG1 3.2Å; A84-I88 PolarHBondContact O-N 3.21Å; A84-I88 VanDerWaalsContact O-N 3.09Å; A84-I108 HydrophobicContact CB-CG2 3.79Å; A84-L112 HydrophobicContact CB-CD1 4.01Å; A84-L112 HydrophobicContact CB-CD2 3.39Å; A84-L112 HydrophobicContact CB-CG 4.02Å; A84-L143 HydrophobicContact CB-CD1 3.96Å; A84-L143 HydrophobicContact CB-CD2 3.78Å; A84-F157 HydrophobicContact CB-CE1 4.5Å; A84-F157 HydrophobicContact CB-CZ 4.18Å
85L96.1Very high92.7Very high12 Ų1258.2 Ų58.26%0.06328%0.277CS..Hα-helixtrans-62.1-44.2171.8-69.8171.7000111.4M46 M49 F50 L53 I81 R82 V87 I88 E89 L112M46-L85 HydrophobicContact CG-CD2 3.86Å; M49-L85 HydrophobicContact CB-CD2 4.45Å; M49-L85 HydrophobicContact CG-CD2 4.37Å; M49-L85 HydrophobicContact SD-CD2 4.15Å; F50-L85 HydrophobicContact CB-CD1 4.36Å; L53-L85 HydrophobicContact CD2-CD1 4.37Å; I81-L85 HydrophobicContact CG2-CD1 4.19Å; I81-L85 HydrophobicContact CG2-CG 4.47Å; I81-L85 WeakPolarHBondContact O-CG 3.23Å; I81-L85 PolarHBondContact O-N 3.46Å; R82-L85 PolarHBondContact O-N 2.9Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 PolarHBondContact O-N 3.22Å; L85-I88 HydrophobicContact CD2-CD1 4.45Å; L85-I88 WeakPolarHBondContact O-CB 3.49Å; L85-I88 PolarHBondContact O-N 3.29Å; L85-E89 PolarHBondContact O-N 2.65Å; L85-L112 HydrophobicContact CD2-CD1 3.74Å; L85-L112 HydrophobicContact CG-CD1 4.01Å
86A93.9Very high92.6Very high43 Ų4356.5 Ų56.536%0.35527%0.269SS..Hα-helixtrans-62.1-34.3175.100000112.6R82 Q83 E89 T90R82-A86 PolarHBondContact O-N 2.93Å; Q83-A86 PolarHBondContact O-N 3.26Å; A86-E89 PolarHBondContact O-N 3.35Å; A86-T90 WeakPolarHBondContact O-CG2 3.38Å; A86-T90 PolarHBondContact O-N 2.84Å; A86-T90 PolarHBondContact O-OG1 2.88Å
87V92.7Very high92.6Very high7 Ų755.9 Ų55.94%0.04228%0.275CS..Hα-helixtrans-64.3-41172.3172.40000111Q83 A84 L85 E89 T90 N91 I108 I147 F156Q83-V87 WeakPolarHBondContact O-CG2 3.24Å; Q83-V87 PolarHBondContact O-N 2.98Å; A84-V87 PolarHBondContact O-N 3.19Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 PolarHBondContact O-N 3.22Å; V87-E89 VanDerWaalsContact C-N 3.33Å; V87-E89 PolarHBondContact O-N 2.8Å; V87-T90 PolarHBondContact O-OG1 3.14Å; V87-N91 WeakPolarHBondContact O-CB 3.44Å; V87-N91 PolarHBondContact O-N 2.91Å; V87-I108 HydrophobicContact CB-CD1 4.17Å; V87-I108 HydrophobicContact CG1-CD1 3.52Å; V87-I147 HydrophobicContact CB-CD1 4.5Å; V87-I147 HydrophobicContact CG1-CD1 3.83Å; V87-I147 HydrophobicContact CG1-CG1 4.06Å; V87-I147 HydrophobicContact CG2-CD1 4.1Å; V87-F156 HydrophobicContact CG2-CB 4.37Å; V87-F156 HydrophobicContact CG2-CD1 3.75Å; V87-F156 HydrophobicContact CG2-CE1 4.26Å; V87-F156 HydrophobicContact CG2-CG 4.07Å
88I95.2Very high92.5Very high1 Ų159.5 Ų59.51%0.00530%0.298CS..Hα-helixtrans-61.3-43176.1-68167.3000111.1I42 M46 A84 L85 N91 Q92 I108 L109 L112I42-I88 HydrophobicContact CG2-CG2 3.97Å; M46-I88 HydrophobicContact CG-CG2 4.34Å; M46-I88 HydrophobicContact SD-CB 4.27Å; M46-I88 HydrophobicContact SD-CG2 3.7Å; A84-I88 WeakPolarHBondContact O-CG1 3.2Å; A84-I88 PolarHBondContact O-N 3.21Å; A84-I88 VanDerWaalsContact O-N 3.09Å; L85-I88 HydrophobicContact CD2-CD1 4.45Å; L85-I88 WeakPolarHBondContact O-CB 3.49Å; L85-I88 PolarHBondContact O-N 3.29Å; I88-N91 WeakPolarHBondContact O-CB 3.25Å; I88-Q92 PolarHBondContact O-NE2 3.06Å; I88-I108 HydrophobicContact CD1-CB 3.97Å; I88-I108 HydrophobicContact CD1-CG2 3.55Å; I88-I108 HydrophobicContact CG1-CB 3.94Å; I88-I108 HydrophobicContact CG1-CD1 4.11Å; I88-I108 HydrophobicContact CG1-CG2 3.75Å; I88-L109 HydrophobicContact CD1-CD2 3.79Å; I88-L109 HydrophobicContact CD1-CG 3.8Å; I88-L112 HydrophobicContact CD1-CD1 4.03Å
89E93.6Very high92.5Very high125 Ų12562.6 Ų62.658%0.58431%0.313SS*.Hα-helixtrans-64.1-56.8179.1-175.6176.9-161.300111.1L85 A86 V87 N91 Q92L85-E89 PolarHBondContact O-N 2.65Å; A86-E89 PolarHBondContact O-N 3.35Å; V87-E89 VanDerWaalsContact C-N 3.33Å; V87-E89 PolarHBondContact O-N 2.8Å; E89-N91 PolarHBondContact O-N 3.13Å; E89-N91 VanDerWaalsContact O-N 3.16Å; E89-Q92 WeakPolarHBondContact O-CB 3.32Å; E89-Q92 WeakPolarHBondContact O-CG 3.45Å; E89-Q92 PolarHBondContact O-N 3.29Å
90T91.8Very high92.5Very high59 Ų5963.7 Ų63.736%0.36231%0.314SS..Hα-helixtrans-63.6-24.4179.458.40000113.1A86 V87 Q92 E93A86-T90 WeakPolarHBondContact O-CG2 3.38Å; A86-T90 PolarHBondContact O-N 2.84Å; A86-T90 PolarHBondContact O-OG1 2.88Å; V87-T90 PolarHBondContact O-OG1 3.14Å; T90-Q92 PolarHBondContact O-N 2.85Å; T90-E93 PolarHBondContact O-N 3.38Å
91N91.3Very high92.5Very high0 Ų064.9 Ų64.90%032%0.319CS..Hα-helixtrans-62.6-26.7174.4178.449.6000112.8V87 I88 E89 E93 R94 K101 L104 S105V87-N91 WeakPolarHBondContact O-CB 3.44Å; V87-N91 PolarHBondContact O-N 2.91Å; I88-N91 WeakPolarHBondContact O-CB 3.25Å; E89-N91 PolarHBondContact O-N 3.13Å; E89-N91 VanDerWaalsContact O-N 3.16Å; N91-E93 PolarHBondContact O-N 3.27Å; N91-R94 PolarHBondContact O-N 3.34Å; N91-K101 WeakPolarHBondContact ND2-CA 3.36Å; N91-K101 PolarHBondContact ND2-O 2.79Å; N91-K101 WeakPolarHBondContact O-CD 3.3Å; N91-L104 HydrophobicContact CB-CD2 4.37Å; N91-S105 PolarHBondContact ND2-OG 3.3Å
92Q88.3Confident92.5Very high80 Ų8064.9 Ų64.937%0.37432%0.319SS..THydrogen-bonded Turntrans-64-27.3177.1-57.9-50-42.900112.6I88 E89 T90 K101I88-Q92 PolarHBondContact O-NE2 3.06Å; E89-Q92 WeakPolarHBondContact O-CB 3.32Å; E89-Q92 WeakPolarHBondContact O-CG 3.45Å; E89-Q92 PolarHBondContact O-N 3.29Å; T90-Q92 PolarHBondContact O-N 2.85Å; Q92-K101 PolarHBondContact O-NZ 2.74Å
93E89.3Confident92.5Very high168 Ų16863.1 Ų63.179%0.78532%0.317SS*.THydrogen-bonded Turntrans-88.9-13.1-176.7-58.1-177.9163.800113.3T90 N91T90-E93 PolarHBondContact O-N 3.38Å; N91-E93 PolarHBondContact O-N 3.27Å
94R86.9Confident92.5Very high68 Ų6859.1 Ų59.126%0.25730%0.298SS..SBendtrans-65.2148.1-173.3-67.7-179.2-175.6-87-12.8112.9N91 I96 K101N91-R94 PolarHBondContact O-N 3.34Å; R94-I96 HydrophobicContact CB-CD1 4.33Å; R94-I96 HydrophobicContact CB-CG1 4.04Å; R94-I96 PolarHBondContact O-N 3.23Å; R94-K101 WeakPolarHBondContact O-CE 3.5Å; R94-K101 PolarHBondContact O-NZ 3.12Å
95Q89.4Confident92.6Very high206 Ų20659.1 Ų59.196%0.96330%0.298SS*.SBendtrans-82.457.5174.5-63.6-175.30.400112
96I89.7Confident92.6Very high52 Ų5258.6 Ų58.627%0.26730%0.295SS..SBendtrans-126.2164.3174.863.2178.3000110.1R94 K100 K101 V150R94-I96 HydrophobicContact CB-CD1 4.33Å; R94-I96 HydrophobicContact CB-CG1 4.04Å; R94-I96 PolarHBondContact O-N 3.23Å; I96-K100 HydrophobicContact CB-CB 4.49Å; I96-K100 HydrophobicContact CD1-CB 4.06Å; I96-K100 HydrophobicContact CG1-CB 4.41Å; I96-K101 HydrophobicContact CD1-CG 3.9Å; I96-K101 HydrophobicContact CG1-CD 4.43Å; I96-K101 HydrophobicContact CG1-CG 3.54Å; I96-K101 WeakPolarHBondContact O-CE 3.33Å; I96-V150 HydrophobicContact CD1-CG1 3.72Å
97T92Very high92.7Very high80 Ų8057.1 Ų57.149%0.49128%0.282SS..  trans-61.4145.4179.262.30000111.1M99 K100 K101T97-M99 PolarHBondContact O-N 3.37Å; T97-K100 WeakPolarHBondContact O-CB 3.44Å; T97-K100 PolarHBondContact O-N 2.88Å; T97-K100 WeakPolarHBondContact OG1-CG 3.29Å; T97-K100 PolarHBondContact OG1-N 3.15Å; T97-K101 PolarHBondContact O-N 3.05Å
98V92.5Very high92.9Very high77 Ų7756.8 Ų56.847%0.46728%0.28SS..Hα-helixtrans-53.5-39.8177.6177.50000111.1Q35 K100 K101 N102Q35-V98 HydrophobicContact CB-CG1 4.03Å; V98-K100 VanDerWaalsContact C-N 3.32Å; V98-K100 PolarHBondContact O-N 2.96Å; V98-K101 WeakPolarHBondContact O-CB 3.37Å; V98-K101 PolarHBondContact O-N 2.76Å; V98-K101 VanDerWaalsContact O-N 3.14Å; V98-N102 WeakPolarHBondContact O-CB 3.48Å; V98-N102 PolarHBondContact O-N 3.35Å
99M92.9Very high93Very high76 Ų7656.7 Ų56.737%0.37428%0.28SS..Hα-helixtrans-52-48.1174.1-162.1-176.462.700112.6C27 T97 L103C27-M99 WeakPolarHBondContact O-CG 3.34Å; T97-M99 PolarHBondContact O-N 3.37Å; M99-L103 VanDerWaalsContact O-CB 3.3Å; M99-L103 WeakPolarHBondContact O-CB 3.34Å; M99-L103 PolarHBondContact O-N 2.89Å
100K92.7Very high93.1Very high100 Ų10053.4 Ų53.444%0.43527%0.265SS..Hα-helixtrans-70.4-37.7178.1-77.2-173.1175.7-169.80112.3I96 T97 V98 L103 L104 V150I96-K100 HydrophobicContact CB-CB 4.49Å; I96-K100 HydrophobicContact CD1-CB 4.06Å; I96-K100 HydrophobicContact CG1-CB 4.41Å; T97-K100 WeakPolarHBondContact O-CB 3.44Å; T97-K100 PolarHBondContact O-N 2.88Å; T97-K100 WeakPolarHBondContact OG1-CG 3.29Å; T97-K100 PolarHBondContact OG1-N 3.15Å; V98-K100 VanDerWaalsContact C-N 3.32Å; V98-K100 PolarHBondContact O-N 2.96Å; K100-L103 PolarHBondContact O-N 3.16Å; K100-L104 PolarHBondContact O-N 3.33Å; K100-V150 HydrophobicContact CB-CG1 4.01Å
101K94.6Very high93.3Very high31 Ų3151.7 Ų51.714%0.13525%0.253CS..Hα-helixtrans-59-53.4174.3-63.1-175.8176.4-1790110.4N91 Q92 R94 I96 T97 V98 L103 L104 S105N91-K101 WeakPolarHBondContact ND2-CA 3.36Å; N91-K101 PolarHBondContact ND2-O 2.79Å; N91-K101 WeakPolarHBondContact O-CD 3.3Å; Q92-K101 PolarHBondContact O-NZ 2.74Å; R94-K101 WeakPolarHBondContact O-CE 3.5Å; R94-K101 PolarHBondContact O-NZ 3.12Å; I96-K101 HydrophobicContact CD1-CG 3.9Å; I96-K101 HydrophobicContact CG1-CD 4.43Å; I96-K101 HydrophobicContact CG1-CG 3.54Å; I96-K101 WeakPolarHBondContact O-CE 3.33Å; T97-K101 PolarHBondContact O-N 3.05Å; V98-K101 WeakPolarHBondContact O-CB 3.37Å; V98-K101 PolarHBondContact O-N 2.76Å; V98-K101 VanDerWaalsContact O-N 3.14Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L103 PolarHBondContact O-N 2.63Å; K101-L104 PolarHBondContact O-N 3.4Å; K101-S105 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-OG 3.28Å
102N95.3Very high93.6Very high1 Ų151.7 Ų51.71%0.00525%0.253CS..Hα-helixtrans-60.2-45.4-179.6-74.7-10.5000111.3Q35 I38 I42 V98 L104 S105 V106Q35-N102 PolarHBondContact O-ND2 2.98Å; Q35-N102 PolarHBondContact OE1-ND2 2.79Å; I38-N102 HydrophobicContact CG2-CB 3.83Å; I42-N102 HydrophobicContact CD1-CB 4.01Å; I42-N102 WeakPolarHBondContact CD1-OD1 3.43Å; V98-N102 WeakPolarHBondContact O-CB 3.48Å; V98-N102 PolarHBondContact O-N 3.35Å; N102-L104 PolarHBondContact O-N 2.89Å; N102-S105 PolarHBondContact O-N 3Å; N102-V106 WeakPolarHBondContact O-CG2 3.32Å; N102-V106 PolarHBondContact O-N 2.97Å
103L94.8Very high93.9Very high55 Ų5551.4 Ų51.429%0.28825%0.254SS..Hα-helixtrans-58.4-45.1177.3-178.564000112.4R24 C27 M99 K100 K101 S107R24-L103 HydrophobicContact CG-CD1 3.78Å; C27-L103 HydrophobicContact CB-CB 4.13Å; C27-L103 HydrophobicContact CB-CD1 4.21Å; M99-L103 VanDerWaalsContact O-CB 3.3Å; M99-L103 WeakPolarHBondContact O-CB 3.34Å; M99-L103 PolarHBondContact O-N 2.89Å; K100-L103 PolarHBondContact O-N 3.16Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L103 PolarHBondContact O-N 2.63Å; L103-S107 VanDerWaalsContact O-CB 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.48Å; L103-S107 PolarHBondContact O-N 3.47Å; L103-S107 PolarHBondContact O-OG 3.26Å
104L95Very high94Very high1 Ų147 Ų471%0.00524%0.239CC..Hα-helixtrans-61.3-51.9176.3179.654.1000110.7N91 K100 K101 N102 V106 S107 I108 A146 I147 V150 I151N91-L104 HydrophobicContact CB-CD2 4.37Å; K100-L104 PolarHBondContact O-N 3.33Å; K101-L104 PolarHBondContact O-N 3.4Å; N102-L104 PolarHBondContact O-N 2.89Å; L104-V106 PolarHBondContact O-N 3.31Å; L104-S107 PolarHBondContact O-N 2.95Å; L104-S107 VanDerWaalsContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CD1 3.76Å; L104-I108 HydrophobicContact CD1-CG1 4.04Å; L104-I108 HydrophobicContact CG-CD1 3.87Å; L104-I108 WeakPolarHBondContact O-CG1 2.9Å; L104-I108 PolarHBondContact O-N 3.43Å; L104-A146 WeakPolarHBondContact CD1-O 3.46Å; L104-I147 HydrophobicContact CD1-CB 4.46Å; L104-I147 HydrophobicContact CD1-CG1 4.06Å; L104-V150 HydrophobicContact CB-CB 4.2Å; L104-V150 HydrophobicContact CB-CG1 4.17Å; L104-V150 HydrophobicContact CB-CG2 3.91Å; L104-V150 HydrophobicContact CD1-CB 4.42Å; L104-V150 HydrophobicContact CD1-CG2 4.28Å; L104-V150 HydrophobicContact CD2-CB 4.26Å; L104-V150 HydrophobicContact CD2-CG1 4.29Å; L104-I151 HydrophobicContact CD2-CD1 3.97Å
105S96.7Very high94.4Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-61.4-43.7-176.1-64.20000112.4N91 K101 N102 I108 L109N91-S105 PolarHBondContact ND2-OG 3.3Å; K101-S105 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-OG 3.28Å; N102-S105 PolarHBondContact O-N 3Å; S105-I108 PolarHBondContact O-N 3.32Å; S105-L109 WeakPolarHBondContact O-CB 3.48Å; S105-L109 VanDerWaalsContact O-CG 3.32Å; S105-L109 WeakPolarHBondContact O-CG 3.29Å; S105-L109 PolarHBondContact O-N 2.85Å
106V96.5Very high94.6Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-65.2-40.9176176.90000111.1L20 L23 R24 I38 I42 N102 L104 I108 L109 M110L20-V106 HydrophobicContact CD2-CG1 4.22Å; L20-V106 VanDerWaalsContact O-CG1 3.32Å; L20-V106 WeakPolarHBondContact O-CG1 3.27Å; L23-V106 HydrophobicContact CB-CG1 4.29Å; L23-V106 HydrophobicContact CD2-CG1 4.4Å; L23-V106 HydrophobicContact CD2-CG2 3.71Å; L23-V106 HydrophobicContact CG-CG2 4Å; R24-V106 HydrophobicContact CB-CG1 3.75Å; R24-V106 HydrophobicContact CG-CG1 4.44Å; I38-V106 HydrophobicContact CG2-CG2 4.3Å; I42-V106 HydrophobicContact CD1-CG2 3.93Å; I42-V106 HydrophobicContact CG1-CG2 3.85Å; N102-V106 WeakPolarHBondContact O-CG2 3.32Å; N102-V106 PolarHBondContact O-N 2.97Å; L104-V106 PolarHBondContact O-N 3.31Å; V106-I108 VanDerWaalsContact C-N 3.32Å; V106-I108 PolarHBondContact O-N 3.41Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-M110 WeakPolarHBondContact O-CG 3.48Å; V106-M110 PolarHBondContact O-N 3.3Å
107S96Very high94.8Very high12 Ų1235.5 Ų35.58%0.08419%0.192CC..Hα-helixtrans-62.1-40.9177.6-58.70000111.8R24 L103 L104 M110 I111R24-S107 PolarHBondContact NE-OG 2.88Å; L103-S107 VanDerWaalsContact O-CB 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.48Å; L103-S107 PolarHBondContact O-N 3.47Å; L103-S107 PolarHBondContact O-OG 3.26Å; L104-S107 PolarHBondContact O-N 2.95Å; L104-S107 VanDerWaalsContact O-N 3.16Å; S107-M110 PolarHBondContact O-N 3.4Å; S107-I111 WeakPolarHBondContact O-CG1 3.38Å; S107-I111 PolarHBondContact O-N 3.41Å
108I97.1Very high94.7Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-65.3-48.7174.3-66.7171.9000110.2A84 V87 I88 L104 S105 V106 M110 I111 L112 L143 I147A84-I108 HydrophobicContact CB-CG2 3.79Å; V87-I108 HydrophobicContact CB-CD1 4.17Å; V87-I108 HydrophobicContact CG1-CD1 3.52Å; I88-I108 HydrophobicContact CD1-CB 3.97Å; I88-I108 HydrophobicContact CD1-CG2 3.55Å; I88-I108 HydrophobicContact CG1-CB 3.94Å; I88-I108 HydrophobicContact CG1-CD1 4.11Å; I88-I108 HydrophobicContact CG1-CG2 3.75Å; L104-I108 HydrophobicContact CD1-CD1 3.76Å; L104-I108 HydrophobicContact CD1-CG1 4.04Å; L104-I108 HydrophobicContact CG-CD1 3.87Å; L104-I108 WeakPolarHBondContact O-CG1 2.9Å; L104-I108 PolarHBondContact O-N 3.43Å; S105-I108 PolarHBondContact O-N 3.32Å; V106-I108 VanDerWaalsContact C-N 3.32Å; V106-I108 PolarHBondContact O-N 3.41Å; I108-M110 PolarHBondContact O-N 3.4Å; I108-I111 WeakPolarHBondContact O-CB 3.47Å; I108-I111 PolarHBondContact O-N 2.83Å; I108-L112 HydrophobicContact CG2-CD1 3.79Å; I108-L112 HydrophobicContact CG2-CG 3.98Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.48Å; I108-L143 HydrophobicContact CB-CD2 4.34Å; I108-L143 HydrophobicContact CG1-CD2 4.21Å; I108-L143 HydrophobicContact CG2-CD2 3.76Å; I108-I147 HydrophobicContact CD1-CG1 4.26Å
109L97Very high94.6Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-56.4-36.1177.9-75.1172.9000112.6L20 I42 R45 M49 I88 S105 V106 L112 N113L20-L109 HydrophobicContact CD1-CB 4.13Å; L20-L109 HydrophobicContact CD2-CB 3.85Å; L20-L109 HydrophobicContact CD2-CD1 4.22Å; I42-L109 HydrophobicContact CB-CD1 4.43Å; I42-L109 HydrophobicContact CG1-CD1 4.32Å; I42-L109 HydrophobicContact CG2-CD1 4.2Å; R45-L109 HydrophobicContact CB-CD1 4.07Å; R45-L109 HydrophobicContact CB-CD2 4.45Å; M49-L109 HydrophobicContact CE-CD2 4.42Å; M49-L109 HydrophobicContact SD-CD2 4.28Å; I88-L109 HydrophobicContact CD1-CD2 3.79Å; I88-L109 HydrophobicContact CD1-CG 3.8Å; S105-L109 WeakPolarHBondContact O-CB 3.48Å; S105-L109 VanDerWaalsContact O-CG 3.32Å; S105-L109 WeakPolarHBondContact O-CG 3.29Å; S105-L109 PolarHBondContact O-N 2.85Å; V106-L109 PolarHBondContact O-N 2.99Å; L109-L112 PolarHBondContact O-N 2.75Å; L109-N113 WeakPolarHBondContact O-CB 3.36Å; L109-N113 PolarHBondContact O-N 3.43Å
110M96.2Very high94.6Very high56 Ų5629.9 Ų29.928%0.27615%0.151SC..Hα-helixtrans-61.5-44.7174.5-72.6176.675.400112L20 A21 R24 V106 S107 I108 N113L20-M110 HydrophobicContact CB-CG 3.56Å; L20-M110 HydrophobicContact CD1-CG 4.25Å; L20-M110 HydrophobicContact CG-CG 4.43Å; A21-M110 HydrophobicContact CB-CE 4.23Å; R24-M110 HydrophobicContact CB-SD 4.15Å; R24-M110 VanDerWaalsContact CD-SD 3.58Å; R24-M110 HydrophobicContact CG-SD 4.44Å; V106-M110 WeakPolarHBondContact O-CG 3.48Å; V106-M110 PolarHBondContact O-N 3.3Å; S107-M110 PolarHBondContact O-N 3.4Å; I108-M110 PolarHBondContact O-N 3.4Å; M110-N113 PolarHBondContact O-N 2.91Å
111I95.6Very high94.4Very high22 Ų2229.3 Ų29.311%0.11315%0.152CC..Hα-helixtrans-66.5-45.3178.4-62.1160.5000109.8S107 I108 N113 V114 A115 F139 R142 L143 A146S107-I111 WeakPolarHBondContact O-CG1 3.38Å; S107-I111 PolarHBondContact O-N 3.41Å; I108-I111 WeakPolarHBondContact O-CB 3.47Å; I108-I111 PolarHBondContact O-N 2.83Å; I111-N113 VanDerWaalsContact C-N 3.3Å; I111-N113 PolarHBondContact O-N 3.11Å; I111-V114 PolarHBondContact O-N 3.17Å; I111-A115 PolarHBondContact O-N 3.38Å; I111-A115 VanDerWaalsContact O-N 3.11Å; I111-F139 HydrophobicContact CG2-CB 4.19Å; I111-F139 HydrophobicContact CG2-CD1 4.01Å; I111-F139 HydrophobicContact CG2-CG 4.48Å; I111-R142 HydrophobicContact CD1-CB 3.84Å; I111-R142 WeakPolarHBondContact CD1-O 3.47Å; I111-R142 HydrophobicContact CG1-CB 4.23Å; I111-L143 HydrophobicContact CB-CD2 4.17Å; I111-L143 HydrophobicContact CB-CG 4.49Å; I111-L143 HydrophobicContact CD1-CD2 3.95Å; I111-L143 HydrophobicContact CD1-CG 4.21Å; I111-L143 HydrophobicContact CG2-CD1 4.49Å; I111-L143 HydrophobicContact CG2-CD2 4.09Å; I111-L143 HydrophobicContact CG2-CG 3.91Å; I111-A146 HydrophobicContact CD1-CB 4.14Å
112L96.3Very high94Very high1 Ų128.4 Ų28.41%0.00515%0.15CC..Hα-helixtrans-62.5-36.8179.1-64.7178.4000112.4M49 I81 A84 L85 I88 I108 L109 V114 A115 M116M49-L112 HydrophobicContact CE-CB 3.82Å; M49-L112 HydrophobicContact SD-CB 3.3Å; M49-L112 WeakPolarHBondContact SD-CB 3.31Å; M49-L112 HydrophobicContact SD-CD1 3.66Å; M49-L112 HydrophobicContact SD-CG 4.1Å; I81-L112 HydrophobicContact CB-CD2 4.04Å; I81-L112 HydrophobicContact CG1-CD2 3.92Å; I81-L112 HydrophobicContact CG2-CD2 3.88Å; A84-L112 HydrophobicContact CB-CD1 4.01Å; A84-L112 HydrophobicContact CB-CD2 3.39Å; A84-L112 HydrophobicContact CB-CG 4.02Å; L85-L112 HydrophobicContact CD2-CD1 3.74Å; L85-L112 HydrophobicContact CG-CD1 4.01Å; I88-L112 HydrophobicContact CD1-CD1 4.03Å; I108-L112 HydrophobicContact CG2-CD1 3.79Å; I108-L112 HydrophobicContact CG2-CG 3.98Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 2.75Å; L112-V114 PolarHBondContact O-N 3.19Å; L112-A115 WeakPolarHBondContact O-CB 3.29Å; L112-A115 PolarHBondContact O-N 3.13Å; L112-A115 VanDerWaalsContact O-N 3.13Å; L112-M116 WeakPolarHBondContact O-CB 3.46Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.4Å; L112-M116 PolarHBondContact O-N 3.28Å
113N94.8Very high93.6Very high73 Ų7332.9 Ų32.939%0.3917%0.173SC..Hα-helixtrans-59.3-37.7177.5-167.535.2000111.8L20 M49 L109 M110 I111 V117L20-N113 HydrophobicContact CD1-CB 4.12Å; M49-N113 HydrophobicContact CE-CB 4.41Å; L109-N113 WeakPolarHBondContact O-CB 3.36Å; L109-N113 PolarHBondContact O-N 3.43Å; M110-N113 PolarHBondContact O-N 2.91Å; I111-N113 VanDerWaalsContact C-N 3.3Å; I111-N113 PolarHBondContact O-N 3.11Å; N113-V117 WeakPolarHBondContact O-CG2 3.32Å; N113-V117 PolarHBondContact O-N 2.81Å
114V92.8Very high93.3Very high75 Ų7534.1 Ų34.146%0.45519%0.185SC..Hα-helixtrans-71.3-42.2175.3-174.10000111.1I111 L112 M116 V117 I118 F139I111-V114 PolarHBondContact O-N 3.17Å; L112-V114 PolarHBondContact O-N 3.19Å; V114-M116 VanDerWaalsContact C-N 3.31Å; V114-M116 PolarHBondContact O-N 3.37Å; V114-V117 WeakPolarHBondContact O-CB 3.4Å; V114-V117 PolarHBondContact O-N 3.22Å; V114-I118 PolarHBondContact O-N 3.46Å; V114-F139 HydrophobicContact CB-CE1 3.91Å; V114-F139 HydrophobicContact CB-CZ 4.35Å; V114-F139 HydrophobicContact CG1-CE1 3.58Å; V114-F139 HydrophobicContact CG1-CZ 3.72Å
115A94.2Very high93Very high2 Ų236 Ų362%0.01719%0.193CC..Hα-helixtrans-60.6-40.4176.300000112.3L77 I81 I111 L112 V117 I118 L119 F139L77-A115 HydrophobicContact CD1-CB 3.82Å; I81-A115 HydrophobicContact CD1-CB 3.82Å; I81-A115 HydrophobicContact CG1-CB 3.87Å; I111-A115 PolarHBondContact O-N 3.38Å; I111-A115 VanDerWaalsContact O-N 3.11Å; L112-A115 WeakPolarHBondContact O-CB 3.29Å; L112-A115 PolarHBondContact O-N 3.13Å; L112-A115 VanDerWaalsContact O-N 3.13Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 PolarHBondContact O-N 3.47Å; A115-I118 WeakPolarHBondContact O-CB 3.44Å; A115-I118 PolarHBondContact O-N 3.23Å; A115-L119 PolarHBondContact O-N 3.28Å; A115-F139 HydrophobicContact CB-CD2 4.33Å; A115-F139 HydrophobicContact CB-CE2 4.48Å
116M94.8Very high92.5Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-65.9-33.5177.2-70.9-60.2-68.700112.5M49 E52 L53 L56 I81 L112 V114 I118 L119 R120M49-M116 HydrophobicContact CE-CG 4.19Å; M49-M116 HydrophobicContact CG-CE 4.49Å; M49-M116 HydrophobicContact CG-CG 3.92Å; M49-M116 HydrophobicContact CG-SD 4.27Å; M49-M116 HydrophobicContact SD-CG 4.18Å; E52-M116 HydrophobicContact CB-CE 3.85Å; E52-M116 HydrophobicContact CG-CE 3.49Å; E52-M116 VanDerWaalsContact CG-CE 3.49Å; L53-M116 HydrophobicContact CB-CE 4.31Å; L53-M116 HydrophobicContact CB-SD 4.49Å; L53-M116 HydrophobicContact CD1-SD 4.34Å; L56-M116 HydrophobicContact CD1-CE 3.69Å; I81-M116 HydrophobicContact CD1-SD 3.81Å; I81-M116 HydrophobicContact CG2-SD 4.14Å; L112-M116 WeakPolarHBondContact O-CB 3.46Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.4Å; L112-M116 PolarHBondContact O-N 3.28Å; V114-M116 VanDerWaalsContact C-N 3.31Å; V114-M116 PolarHBondContact O-N 3.37Å; M116-I118 VanDerWaalsContact C-N 3.25Å; M116-I118 PolarHBondContact O-N 3.22Å; M116-L119 PolarHBondContact O-N 2.97Å; M116-L119 HydrophobicContact SD-CD1 4.21Å; M116-R120 WeakPolarHBondContact O-CG 3.45Å; M116-R120 PolarHBondContact O-N 3.48Å
117V92.4Very high92.1Very high83 Ų8346.6 Ų46.650%0.50325%0.249SC..Hα-helixtrans-59.4-39.8173.6169.40000111.1N113 V114 A115 R120N113-V117 WeakPolarHBondContact O-CG2 3.32Å; N113-V117 PolarHBondContact O-N 2.81Å; V114-V117 WeakPolarHBondContact O-CB 3.4Å; V114-V117 PolarHBondContact O-N 3.22Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 PolarHBondContact O-N 3.47Å; V117-R120 PolarHBondContact O-N 3.43Å
118I91Very high92Very high8 Ų849.3 Ų49.34%0.04126%0.262CS..Hα-helixtrans-66.9-40.5176.7-67.5164.8000111.2L77 V114 A115 M116 R120 D121 P122 Y125 L132 N135 F139L77-I118 HydrophobicContact CD2-CB 4Å; L77-I118 HydrophobicContact CD2-CG2 3.58Å; V114-I118 PolarHBondContact O-N 3.46Å; A115-I118 WeakPolarHBondContact O-CB 3.44Å; A115-I118 PolarHBondContact O-N 3.23Å; M116-I118 VanDerWaalsContact C-N 3.25Å; M116-I118 PolarHBondContact O-N 3.22Å; I118-R120 VanDerWaalsContact C-N 3.33Å; I118-R120 PolarHBondContact O-N 3.19Å; I118-D121 CarbonylContact O-C 3.22Å; I118-D121 VanDerWaalsContact O-C 3.24Å; I118-D121 PolarHBondContact O-N 3.37Å; I118-P122 VanDerWaalsContact O-CA 3.31Å; I118-P122 WeakPolarHBondContact O-CA 3.29Å; I118-P122 VanDerWaalsContact O-N 3.17Å; I118-Y125 HydrophobicContact CB-CE2 4.24Å; I118-Y125 HydrophobicContact CG1-CE2 3.82Å; I118-Y125 HydrophobicContact CG2-CD2 3.99Å; I118-Y125 HydrophobicContact CG2-CE2 3.76Å; I118-L132 HydrophobicContact CG2-CD1 3.56Å; I118-N135 HydrophobicContact CD1-CB 4.42Å; I118-F139 HydrophobicContact CD1-CE2 3.34Å; I118-F139 HydrophobicContact CD1-CZ 3.5Å; I118-F139 VanDerWaalsContact CD1-CZ 3.5Å
119L91.1Very high91.7Very high2 Ų250.7 Ų50.71%0.0127%0.271CS..Hα-helixtrans-70-27178.6-71.2-175.2000113.9L53 L56 I74 L77 R78 I81 A115 M116 D121 P122L53-L119 HydrophobicContact CD1-CD1 3.66Å; L56-L119 HydrophobicContact CD1-CB 3.88Å; I74-L119 HydrophobicContact CD1-CD2 4.27Å; I74-L119 HydrophobicContact CG2-CD2 3.91Å; L77-L119 HydrophobicContact CB-CD2 4.38Å; L77-L119 HydrophobicContact CD2-CD2 3.74Å; L77-L119 HydrophobicContact CD2-CG 3.89Å; L77-L119 HydrophobicContact CG-CD2 4.07Å; L77-L119 HydrophobicContact CG-CG 4.17Å; R78-L119 HydrophobicContact CG-CD1 3.76Å; R78-L119 HydrophobicContact CG-CD2 3.91Å; I81-L119 HydrophobicContact CD1-CD1 3.3Å; I81-L119 HydrophobicContact CD1-CG 4.09Å; A115-L119 PolarHBondContact O-N 3.28Å; M116-L119 PolarHBondContact O-N 2.97Å; M116-L119 HydrophobicContact SD-CD1 4.21Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-P122 WeakPolarHBondContact O-CD 3.3Å
120R91.1Very high91.5Very high106 Ų10656.8 Ų56.840%0.430%0.299SS..Hα-helixtrans-68.9-32.2176.2-73.9171.8-173.4132.43.9112.9E52 L56 M116 V117 I118E52-R120 IonicContact OE1-CZ 2.74Å; E52-R120 IonicContact OE1-NE 3.07Å; E52-R120 PolarHBondContact OE1-NE 3.21Å; E52-R120 IonicContact OE1-NH2 3.28Å; E52-R120 PolarHBondContact OE1-NH2 2.96Å; E52-R120 IonicContact OE2-CZ 2.76Å; E52-R120 IonicContact OE2-NH2 2.63Å; E52-R120 PolarHBondContact OE2-NH2 3.26Å; L56-R120 HydrophobicContact CD1-CG 4.3Å; M116-R120 WeakPolarHBondContact O-CG 3.45Å; M116-R120 PolarHBondContact O-N 3.48Å; V117-R120 PolarHBondContact O-N 3.43Å; I118-R120 VanDerWaalsContact C-N 3.33Å; I118-R120 PolarHBondContact O-N 3.19Å
121D88.6Confident91.3Very high88 Ų8858.3 Ų58.347%0.47131%0.306SS..SBendtrans-139.374.2177-176.612.8000110.5I118 L119 L123 C124I118-D121 CarbonylContact O-C 3.22Å; I118-D121 VanDerWaalsContact O-C 3.24Å; I118-D121 PolarHBondContact O-N 3.37Å; L119-D121 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 2.69Å; D121-C124 PolarHBondContact O-SG 3.49Å
122P86.8Confident91.2Very high12 Ų1257.3 Ų57.38%0.07830%0.3CS..G310 helixtrans-73.7-20.7-176.232.8-36.3000111.2W66 F70 I74 I118 L119 C124 Y125W66-P122 HydrophobicContact CH2-CG 4.01Å; W66-P122 HydrophobicContact CZ2-CG 4.04Å; F70-P122 HydrophobicContact CE1-CB 4.36Å; F70-P122 WeakPolarHBondContact CE2-O 3.33Å; F70-P122 HydrophobicContact CZ-CB 3.75Å; F70-P122 WeakPolarHBondContact CZ-O 3.3Å; I74-P122 HydrophobicContact CD1-CB 3.6Å; I74-P122 HydrophobicContact CG1-CB 4.36Å; I118-P122 VanDerWaalsContact O-CA 3.31Å; I118-P122 WeakPolarHBondContact O-CA 3.29Å; I118-P122 VanDerWaalsContact O-N 3.17Å; L119-P122 WeakPolarHBondContact O-CD 3.3Å; P122-C124 PolarHBondContact O-N 2.92Å; P122-Y125 PolarHBondContact O-N 2.71Å
123L87.5Confident91.1Very high95 Ų9558.9 Ų58.950%0.49731%0.311SS..G310 helixtrans-61.5-28.6-174.4-64.1179.6000113D121 Y125 L126D121-L123 PolarHBondContact O-N 2.69Å; L123-Y125 PolarHBondContact O-N 2.73Å; L123-Y125 VanDerWaalsContact O-N 3.09Å; L123-L126 VanDerWaalsContact O-CB 3.3Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.44Å
124C87.3Confident91.1Very high80 Ų8063 Ų6354%0.54132%0.322SS..G310 helixtrans-60.5-18.6174.668.50000113.5D121 P122D121-C124 PolarHBondContact O-SG 3.49Å; P122-C124 PolarHBondContact O-N 2.92Å
125Y89.4Confident91.1Very high42 Ų4261.3 Ų61.317%0.16531%0.31CS..G310 helixtrans-102.20.2176.6-63.2-79.1000114.4I118 P122 L123 N127 N128 V129 Q131 L132I118-Y125 HydrophobicContact CB-CE2 4.24Å; I118-Y125 HydrophobicContact CG1-CE2 3.82Å; I118-Y125 HydrophobicContact CG2-CD2 3.99Å; I118-Y125 HydrophobicContact CG2-CE2 3.76Å; P122-Y125 PolarHBondContact O-N 2.71Å; L123-Y125 PolarHBondContact O-N 2.73Å; L123-Y125 VanDerWaalsContact O-N 3.09Å; Y125-N127 PolarHBondContact O-N 3.34Å; Y125-N128 CarbonylContact O-C 3.48Å; Y125-N128 PolarHBondContact O-N 2.98Å; Y125-V129 PolarHBondContact O-N 3.24Å; Y125-Q131 HydrophobicContact CE1-CG 4.44Å; Y125-L132 HydrophobicContact CD1-CB 3.96Å; Y125-L132 HydrophobicContact CD2-CD1 4.26Å; Y125-L132 HydrophobicContact CG-CB 4Å; Y125-L132 HydrophobicContact CG-CD1 4.19Å; Y125-L132 HydrophobicContact CG-CG 4.5Å
126L86.3Confident91.1Very high59 Ų5961.2 Ų61.231%0.30931%0.309SS..THydrogen-bonded Turntrans-57.7-36.7-174.1-173.766.6000112.4F70 L123F70-L126 HydrophobicContact CD1-CD1 4.13Å; F70-L126 HydrophobicContact CD2-CD1 4.27Å; F70-L126 HydrophobicContact CE1-CD1 4.29Å; F70-L126 HydrophobicContact CE2-CB 4.41Å; F70-L126 HydrophobicContact CE2-CD1 4.43Å; F70-L126 HydrophobicContact CG-CD1 4.07Å; F70-L126 HydrophobicContact CZ-CD1 4.39Å; L123-L126 VanDerWaalsContact O-CB 3.3Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.44Å
127N88.8Confident91.1Very high162 Ų16264.5 Ų64.587%0.86633%0.327SS*.THydrogen-bonded Turntrans-94.12.4177.4-62.4-39.7000113.6Y125Y125-N127 PolarHBondContact O-N 3.34Å
128N92Very high91.2Very high69 Ų6963.7 Ų63.737%0.36932%0.319SS..  trans-140.855.4-179.2-160.5-9.7000112Y125 E130 Q131 L132Y125-N128 CarbonylContact O-C 3.48Å; Y125-N128 PolarHBondContact O-N 2.98Å; N128-E130 PolarHBondContact O-N 2.94Å; N128-Q131 HydrophobicContact CB-CB 4.33Å; N128-Q131 VanDerWaalsContact CG-CB 3.43Å; N128-Q131 PolarHBondContact ND2-OE1 3.27Å; N128-Q131 PolarHBondContact O-N 3.14Å; N128-Q131 VanDerWaalsContact O-N 3.13Å; N128-Q131 VanDerWaalsContact OD1-CB 3.25Å; N128-Q131 WeakPolarHBondContact OD1-CB 3.49Å; N128-Q131 PolarHBondContact OD1-N 2.96Å; N128-L132 PolarHBondContact O-N 2.97Å
129V91.4Very high91.3Very high29 Ų2963.9 Ų63.918%0.17632%0.32CS..Hα-helixtrans-61.6-29.8-177.4-172.60000112.3F70 Y125 L132 S133F70-V129 HydrophobicContact CB-CG1 4.47Å; F70-V129 HydrophobicContact CB-CG2 4.03Å; F70-V129 HydrophobicContact CD2-CG2 4.14Å; Y125-V129 PolarHBondContact O-N 3.24Å; V129-L132 PolarHBondContact O-N 3.46Å; V129-S133 WeakPolarHBondContact O-CB 3.46Å; V129-S133 PolarHBondContact O-N 3.2Å; V129-S133 PolarHBondContact O-OG 3.38Å
130E92.4Very high91.4Very high129 Ų12965.2 Ų65.260%0.60333%0.326SS*.Hα-helixtrans-63.9-45.3174.7-69.9-172.1-165.700111.8N128 L132 S133 R134N128-E130 PolarHBondContact O-N 2.94Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 3.04Å; E130-S133 PolarHBondContact O-N 3.33Å; E130-R134 WeakPolarHBondContact O-CG 3.47Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE2-NH2 2.84Å; E130-R134 PolarHBondContact OE2-NH2 3.46Å
131Q93.5Very high91.5Very high88 Ų8865 Ų6541%0.41133%0.331SS..Hα-helixtrans-62.8-41.7176.3-176.4-178.811.200111.1Y125 N128 S133 R134 N135Y125-Q131 HydrophobicContact CE1-CG 4.44Å; N128-Q131 HydrophobicContact CB-CB 4.33Å; N128-Q131 VanDerWaalsContact CG-CB 3.43Å; N128-Q131 PolarHBondContact ND2-OE1 3.27Å; N128-Q131 PolarHBondContact O-N 3.14Å; N128-Q131 VanDerWaalsContact O-N 3.13Å; N128-Q131 VanDerWaalsContact OD1-CB 3.25Å; N128-Q131 WeakPolarHBondContact OD1-CB 3.49Å; N128-Q131 PolarHBondContact OD1-N 2.96Å; Q131-S133 VanDerWaalsContact C-N 3.33Å; Q131-S133 PolarHBondContact O-N 3.41Å; Q131-R134 PolarHBondContact O-N 3.01Å; Q131-N135 VanDerWaalsContact O-CG 3.25Å; Q131-N135 PolarHBondContact O-N 3.5Å; Q131-N135 PolarHBondContact O-ND2 2.94Å
132L93.6Very high91.7Very high0 Ų066.7 Ų66.70%033%0.331CS..Hα-helixtrans-57.5-47.9174175.260000111.3F70 I74 I118 Y125 N128 V129 E130 R134 N135 I136F70-L132 HydrophobicContact CD2-CD2 3.91Å; F70-L132 HydrophobicContact CE2-CD2 3.9Å; I74-L132 HydrophobicContact CD1-CD2 3.92Å; I74-L132 HydrophobicContact CG1-CD2 4.41Å; I118-L132 HydrophobicContact CG2-CD1 3.56Å; Y125-L132 HydrophobicContact CD1-CB 3.96Å; Y125-L132 HydrophobicContact CD2-CD1 4.26Å; Y125-L132 HydrophobicContact CG-CB 4Å; Y125-L132 HydrophobicContact CG-CD1 4.19Å; Y125-L132 HydrophobicContact CG-CG 4.5Å; N128-L132 PolarHBondContact O-N 2.97Å; V129-L132 PolarHBondContact O-N 3.46Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 3.04Å; L132-R134 PolarHBondContact O-N 2.76Å; L132-N135 WeakPolarHBondContact O-CB 3.4Å; L132-N135 PolarHBondContact O-N 2.86Å; L132-N135 VanDerWaalsContact O-N 3.17Å; L132-I136 HydrophobicContact CD1-CD1 4.03Å; L132-I136 HydrophobicContact CD1-CG1 4.32Å; L132-I136 HydrophobicContact CG-CD1 3.89Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.29Å
133S93.7Very high92Very high34 Ų3466.2 Ų66.224%0.23833%0.327CS..Hα-helixtrans-62.2-42.6-179.9-57.40000111.9S73 V129 E130 Q131 N135 I136 D137S73-S133 PolarHBondContact OG-OG 2.74Å; V129-S133 WeakPolarHBondContact O-CB 3.46Å; V129-S133 PolarHBondContact O-N 3.2Å; V129-S133 PolarHBondContact O-OG 3.38Å; E130-S133 PolarHBondContact O-N 3.33Å; Q131-S133 VanDerWaalsContact C-N 3.33Å; Q131-S133 PolarHBondContact O-N 3.41Å; S133-N135 VanDerWaalsContact C-N 3.34Å; S133-N135 PolarHBondContact O-N 3Å; S133-I136 WeakPolarHBondContact O-CB 3.46Å; S133-I136 PolarHBondContact O-N 2.94Å; S133-D137 VanDerWaalsContact O-CG 3.3Å; S133-D137 PolarHBondContact O-N 3.11Å
134R94Very high92.2Very high161 Ų16162.8 Ų62.861%0.60831%0.309SS*.Hα-helixtrans-62.9-38.1174.1-67.3176.5-153.5177.48.3112.6E130 Q131 L132 I136 D137 L138E130-R134 WeakPolarHBondContact O-CG 3.47Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE2-NH2 2.84Å; E130-R134 PolarHBondContact OE2-NH2 3.46Å; Q131-R134 PolarHBondContact O-N 3.01Å; L132-R134 PolarHBondContact O-N 2.76Å; R134-I136 VanDerWaalsContact C-N 3.33Å; R134-D137 PolarHBondContact O-N 3.37Å; R134-L138 WeakPolarHBondContact O-CB 3.36Å; R134-L138 PolarHBondContact O-N 3.44Å
135N93.3Very high92.4Very high38 Ų3863.8 Ų63.820%0.20331%0.306CS..Hα-helixtrans-64.3-41175-71.7-17000110.9I118 Q131 L132 S133 L138 F139I118-N135 HydrophobicContact CD1-CB 4.42Å; Q131-N135 VanDerWaalsContact O-CG 3.25Å; Q131-N135 PolarHBondContact O-N 3.5Å; Q131-N135 PolarHBondContact O-ND2 2.94Å; L132-N135 WeakPolarHBondContact O-CB 3.4Å; L132-N135 PolarHBondContact O-N 2.86Å; L132-N135 VanDerWaalsContact O-N 3.17Å; S133-N135 VanDerWaalsContact C-N 3.34Å; S133-N135 PolarHBondContact O-N 3Å; N135-L138 WeakPolarHBondContact O-CB 3.34Å; N135-L138 PolarHBondContact O-N 3.18Å; N135-F139 HydrophobicContact CB-CE2 4.05Å; N135-F139 HydrophobicContact CB-CZ 4.47Å; N135-F139 WeakPolarHBondContact O-CD2 3.46Å; N135-F139 WeakPolarHBondContact O-CE2 3.23Å; N135-F139 WeakPolarHBondContact O-CG 3.46Å; N135-F139 PolarHBondContact O-N 3.44Å
136I94.5Very high92.4Very high1 Ų162.3 Ų62.31%0.00530%0.303CS..Hα-helixtrans-61.4-47.6175.8-66.1162.3000110.9S73 R76 L77 I80 L132 S133 R134 L138 F139 E140S73-I136 WeakPolarHBondContact O-CD1 3.32Å; R76-I136 HydrophobicContact CG-CG2 4.02Å; L77-I136 HydrophobicContact CB-CD1 4.05Å; L77-I136 HydrophobicContact CB-CG1 4Å; L77-I136 HydrophobicContact CD1-CG1 4.15Å; L77-I136 HydrophobicContact CD2-CG1 4.49Å; L77-I136 HydrophobicContact CG-CG1 4.44Å; I80-I136 HydrophobicContact CD1-CG2 3.4Å; L132-I136 HydrophobicContact CD1-CD1 4.03Å; L132-I136 HydrophobicContact CD1-CG1 4.32Å; L132-I136 HydrophobicContact CG-CD1 3.89Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.29Å; S133-I136 WeakPolarHBondContact O-CB 3.46Å; S133-I136 PolarHBondContact O-N 2.94Å; R134-I136 VanDerWaalsContact C-N 3.33Å; I136-L138 VanDerWaalsContact C-N 3.26Å; I136-L138 PolarHBondContact O-N 3.32Å; I136-F139 PolarHBondContact O-N 2.82Å; I136-F139 VanDerWaalsContact O-N 3.14Å; I136-E140 PolarHBondContact O-N 3.15Å
137D94.1Very high92.5Very high68 Ų6859.6 Ų59.636%0.36429%0.288SS..Hα-helixtrans-57.6-41.4175.4-63.8-30.8000111.4R76 S133 R134 E140 M141R76-D137 IonicContact CZ-OD1 2.71Å; R76-D137 IonicContact NH1-OD1 3.03Å; R76-D137 PolarHBondContact NH1-OD1 3.44Å; R76-D137 IonicContact NH2-OD1 2.73Å; R76-D137 PolarHBondContact NH2-OD1 2.6Å; S133-D137 VanDerWaalsContact O-CG 3.3Å; S133-D137 PolarHBondContact O-N 3.11Å; R134-D137 PolarHBondContact O-N 3.37Å; D137-E140 PolarHBondContact O-N 3Å; D137-M141 WeakPolarHBondContact O-CB 3.4Å; D137-M141 PolarHBondContact O-N 3.47Å
138L93.9Very high92.4Very high67 Ų6758.1 Ų58.135%0.35127%0.271SS..Hα-helixtrans-65.3-39.7177.1-177.963.7000112.3R134 N135 I136 R142R134-L138 WeakPolarHBondContact O-CB 3.36Å; R134-L138 PolarHBondContact O-N 3.44Å; N135-L138 WeakPolarHBondContact O-CB 3.34Å; N135-L138 PolarHBondContact O-N 3.18Å; I136-L138 VanDerWaalsContact C-N 3.26Å; I136-L138 PolarHBondContact O-N 3.32Å; L138-R142 HydrophobicContact CD1-CG 4.39Å; L138-R142 WeakPolarHBondContact O-CB 3.32Å; L138-R142 VanDerWaalsContact O-CG 3.29Å; L138-R142 WeakPolarHBondContact O-CG 3.29Å; L138-R142 PolarHBondContact O-N 3.18Å
139F93.4Very high91.8Very high12 Ų1261.4 Ų61.45%0.05329%0.287CS..Hα-helixtrans-64.7-44.7175.9-63-47.9000111.6L77 I111 V114 A115 I118 N135 I136 M141 R142 L143L77-F139 HydrophobicContact CD1-CD2 3.96Å; L77-F139 HydrophobicContact CD1-CE2 4.42Å; I111-F139 HydrophobicContact CG2-CB 4.19Å; I111-F139 HydrophobicContact CG2-CD1 4.01Å; I111-F139 HydrophobicContact CG2-CG 4.48Å; V114-F139 HydrophobicContact CB-CE1 3.91Å; V114-F139 HydrophobicContact CB-CZ 4.35Å; V114-F139 HydrophobicContact CG1-CE1 3.58Å; V114-F139 HydrophobicContact CG1-CZ 3.72Å; A115-F139 HydrophobicContact CB-CD2 4.33Å; A115-F139 HydrophobicContact CB-CE2 4.48Å; I118-F139 HydrophobicContact CD1-CE2 3.34Å; I118-F139 HydrophobicContact CD1-CZ 3.5Å; I118-F139 VanDerWaalsContact CD1-CZ 3.5Å; N135-F139 HydrophobicContact CB-CE2 4.05Å; N135-F139 HydrophobicContact CB-CZ 4.47Å; N135-F139 WeakPolarHBondContact O-CD2 3.46Å; N135-F139 WeakPolarHBondContact O-CE2 3.23Å; N135-F139 WeakPolarHBondContact O-CG 3.46Å; N135-F139 PolarHBondContact O-N 3.44Å; I136-F139 PolarHBondContact O-N 2.82Å; I136-F139 VanDerWaalsContact O-N 3.14Å; F139-M141 VanDerWaalsContact C-N 3.35Å; F139-M141 PolarHBondContact O-N 3.4Å; F139-R142 PolarHBondContact O-N 3.28Å; F139-L143 WeakPolarHBondContact O-CB 3.44Å; F139-L143 VanDerWaalsContact O-CG 3.29Å; F139-L143 WeakPolarHBondContact O-CG 3.31Å; F139-L143 PolarHBondContact O-N 3.17Å
140E93.6Very high91.2Very high30 Ų3060.7 Ų60.714%0.1428%0.283CS..Hα-helixtrans-62.1-43.3177.8-172.5172.7-176.400111.8R76 I80 I136 D137 L143 N144 F157R76-E140 IonicContact CZ-OE2 2.69Å; R76-E140 IonicContact NE-OE2 3.17Å; R76-E140 IonicContact NH2-OE2 3.73Å; R76-E140 PolarHBondContact NH2-OE2 3.26Å; I80-E140 HydrophobicContact CD1-CB 4.13Å; I136-E140 PolarHBondContact O-N 3.15Å; D137-E140 PolarHBondContact O-N 3Å; E140-L143 PolarHBondContact O-N 2.87Å; E140-N144 WeakPolarHBondContact O-CB 3.11Å; E140-N144 PolarHBondContact O-N 2.91Å; E140-N144 PolarHBondContact O-ND2 3.5Å; E140-N144 VanDerWaalsContact O-ND2 3.12Å; E140-F157 HydrophobicContact CG-CB 3.77Å; E140-F157 HydrophobicContact CG-CG 4.3Å; E140-F157 VanDerWaalsContact OE1-CB 3.31Å; E140-F157 WeakPolarHBondContact OE1-CB 3.26Å
141M93.2Very high90.5Very high101 Ų10155.9 Ų55.950%0.49826%0.261SS..Hα-helixtrans-58.9-49.5173.8-173.8-175.8-56.300111.3D137 F139 L143 N144 E145D137-M141 WeakPolarHBondContact O-CB 3.4Å; D137-M141 PolarHBondContact O-N 3.47Å; F139-M141 VanDerWaalsContact C-N 3.35Å; F139-M141 PolarHBondContact O-N 3.4Å; M141-L143 VanDerWaalsContact C-N 3.32Å; M141-L143 PolarHBondContact O-N 3.48Å; M141-N144 PolarHBondContact O-N 2.95Å; M141-E145 WeakPolarHBondContact O-CG 3.02Å; M141-E145 PolarHBondContact O-N 3.39Å
142R93.5Very high89.3Confident124 Ų12456.1 Ų56.147%0.46827%0.271SS..Hα-helixtrans-64-35.6179.1-75.5-179.3175.5-170.80.8112.9I111 L138 F139 E145 A146I111-R142 HydrophobicContact CD1-CB 3.84Å; I111-R142 WeakPolarHBondContact CD1-O 3.47Å; I111-R142 HydrophobicContact CG1-CB 4.23Å; L138-R142 HydrophobicContact CD1-CG 4.39Å; L138-R142 WeakPolarHBondContact O-CB 3.32Å; L138-R142 VanDerWaalsContact O-CG 3.29Å; L138-R142 WeakPolarHBondContact O-CG 3.29Å; L138-R142 PolarHBondContact O-N 3.18Å; F139-R142 PolarHBondContact O-N 3.28Å; R142-E145 PolarHBondContact O-N 3.16Å; R142-A146 WeakPolarHBondContact O-CB 3.42Å; R142-A146 PolarHBondContact O-N 3.11Å
143L93.2Very high87.9Confident1 Ų164.1 Ų64.11%0.00531%0.313CS..Hα-helixtrans-64.9-48.1174.8-76.8166.9000110.6I80 A84 I108 I111 F139 E140 M141 E145 A146 I147 F157I80-L143 HydrophobicContact CG2-CD1 3.31Å; A84-L143 HydrophobicContact CB-CD1 3.96Å; A84-L143 HydrophobicContact CB-CD2 3.78Å; I108-L143 HydrophobicContact CB-CD2 4.34Å; I108-L143 HydrophobicContact CG1-CD2 4.21Å; I108-L143 HydrophobicContact CG2-CD2 3.76Å; I111-L143 HydrophobicContact CB-CD2 4.17Å; I111-L143 HydrophobicContact CB-CG 4.49Å; I111-L143 HydrophobicContact CD1-CD2 3.95Å; I111-L143 HydrophobicContact CD1-CG 4.21Å; I111-L143 HydrophobicContact CG2-CD1 4.49Å; I111-L143 HydrophobicContact CG2-CD2 4.09Å; I111-L143 HydrophobicContact CG2-CG 3.91Å; F139-L143 WeakPolarHBondContact O-CB 3.44Å; F139-L143 VanDerWaalsContact O-CG 3.29Å; F139-L143 WeakPolarHBondContact O-CG 3.31Å; F139-L143 PolarHBondContact O-N 3.17Å; E140-L143 PolarHBondContact O-N 2.87Å; M141-L143 VanDerWaalsContact C-N 3.32Å; M141-L143 PolarHBondContact O-N 3.48Å; L143-E145 VanDerWaalsContact C-N 3.31Å; L143-E145 PolarHBondContact O-N 2.93Å; L143-A146 PolarHBondContact O-N 3.45Å; L143-I147 VanDerWaalsContact O-CG1 3.25Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 3.36Å; L143-F157 HydrophobicContact CB-CD2 4.3Å; L143-F157 HydrophobicContact CB-CE2 3.68Å; L143-F157 HydrophobicContact CB-CZ 3.99Å; L143-F157 HydrophobicContact CD1-CE1 4.16Å; L143-F157 HydrophobicContact CD1-CE2 4.44Å; L143-F157 HydrophobicContact CD1-CZ 3.95Å; L143-F157 HydrophobicContact CG-CZ 4.41Å
144N91Very high86.4Confident24 Ų2463.2 Ų63.213%0.12831%0.307CS..Hα-helixtrans-58.7-42.7175.1-82.5-52.1000112E140 M141 I147 R148 F157E140-N144 WeakPolarHBondContact O-CB 3.11Å; E140-N144 PolarHBondContact O-N 2.91Å; E140-N144 PolarHBondContact O-ND2 3.5Å; E140-N144 VanDerWaalsContact O-ND2 3.12Å; M141-N144 PolarHBondContact O-N 2.95Å; N144-I147 PolarHBondContact O-N 3.31Å; N144-R148 WeakPolarHBondContact O-CB 3.44Å; N144-R148 VanDerWaalsContact O-CG 3.24Å; N144-R148 WeakPolarHBondContact O-CG 3.34Å; N144-R148 PolarHBondContact O-N 3.17Å; N144-F157 WeakPolarHBondContact OD1-CD2 3.25Å
145E90.8Very high84.7Confident101 Ų10161.1 Ų61.147%0.47231%0.306SS..Hα-helixtrans-62.3-48.7175.2-74.2175177.100112.1M141 R142 L143 I147 R148 L149M141-E145 WeakPolarHBondContact O-CG 3.02Å; M141-E145 PolarHBondContact O-N 3.39Å; R142-E145 PolarHBondContact O-N 3.16Å; L143-E145 VanDerWaalsContact C-N 3.31Å; L143-E145 PolarHBondContact O-N 2.93Å; E145-I147 VanDerWaalsContact C-N 3.26Å; E145-I147 PolarHBondContact O-N 2.9Å; E145-R148 PolarHBondContact O-N 3.03Å; E145-L149 VanDerWaalsContact O-CG 3.32Å; E145-L149 WeakPolarHBondContact O-CG 3.32Å; E145-L149 PolarHBondContact O-N 3.09Å
146A89.3Confident83.1Confident11 Ų1162.5 Ų62.59%0.09131%0.311CS..Hα-helixtrans-57-42.3178.900000111.6L104 I111 R142 L143L104-A146 WeakPolarHBondContact CD1-O 3.46Å; I111-A146 HydrophobicContact CD1-CB 4.14Å; R142-A146 WeakPolarHBondContact O-CB 3.42Å; R142-A146 PolarHBondContact O-N 3.11Å; L143-A146 PolarHBondContact O-N 3.45Å
147I88.6Confident81.3Confident1 Ų162.8 Ų62.81%0.00531%0.312CS..Hα-helixtrans-67.4-47.7176.6-64.1169.8000111.1V87 L104 I108 L143 N144 E145 L149 V150 I151 S154 F156 F157V87-I147 HydrophobicContact CB-CD1 4.5Å; V87-I147 HydrophobicContact CG1-CD1 3.83Å; V87-I147 HydrophobicContact CG1-CG1 4.06Å; V87-I147 HydrophobicContact CG2-CD1 4.1Å; L104-I147 HydrophobicContact CD1-CB 4.46Å; L104-I147 HydrophobicContact CD1-CG1 4.06Å; I108-I147 HydrophobicContact CD1-CG1 4.26Å; L143-I147 VanDerWaalsContact O-CG1 3.25Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 3.36Å; N144-I147 PolarHBondContact O-N 3.31Å; E145-I147 VanDerWaalsContact C-N 3.26Å; E145-I147 PolarHBondContact O-N 2.9Å; I147-L149 PolarHBondContact O-N 2.96Å; I147-V150 PolarHBondContact O-N 3.18Å; I147-I151 HydrophobicContact CG2-CD1 4.11Å; I147-I151 PolarHBondContact O-N 3.13Å; I147-S154 VanDerWaalsContact CG2-OG 3.23Å; I147-S154 WeakPolarHBondContact CG2-OG 3.17Å; I147-F156 HydrophobicContact CB-CD2 4.23Å; I147-F156 HydrophobicContact CB-CE2 4.46Å; I147-F156 HydrophobicContact CD1-CB 3.95Å; I147-F156 HydrophobicContact CD1-CD2 3.57Å; I147-F156 HydrophobicContact CD1-CE2 4.29Å; I147-F156 HydrophobicContact CD1-CG 3.89Å; I147-F156 HydrophobicContact CG1-CD2 4.38Å; I147-F156 HydrophobicContact CG2-CD2 3.29Å; I147-F156 HydrophobicContact CG2-CE2 3.16Å; I147-F156 HydrophobicContact CG2-CG 4.5Å; I147-F156 HydrophobicContact CG2-CZ 4.33Å; I147-F157 HydrophobicContact CD1-CD2 4.42Å; I147-F157 HydrophobicContact CD1-CE2 3.55Å; I147-F157 HydrophobicContact CD1-CZ 4.35Å
148R87.1Confident79.4Confident132 Ų13268.4 Ų68.450%0.49835%0.349SS..Hα-helixtrans-60.6-32.9-179.7-76.9175.4-179-177.63.6113.3N144 E145 V150 I151N144-R148 WeakPolarHBondContact O-CB 3.44Å; N144-R148 VanDerWaalsContact O-CG 3.24Å; N144-R148 WeakPolarHBondContact O-CG 3.34Å; N144-R148 PolarHBondContact O-N 3.17Å; E145-R148 PolarHBondContact O-N 3.03Å; R148-V150 PolarHBondContact O-N 3.28Å; R148-I151 CarbonylContact O-C 3.24Å
149L80.7Confident78.7Confident137 Ų13768.5 Ų68.572%0.71735%0.349SS*.Hα-helixtrans-62.3-27.3175.6-73.8171.8000112.9E145 I147E145-L149 VanDerWaalsContact O-CG 3.32Å; E145-L149 WeakPolarHBondContact O-CG 3.32Å; E145-L149 PolarHBondContact O-N 3.09Å; I147-L149 PolarHBondContact O-N 2.96Å
150V77.6Confident77.9Confident15 Ų1571.4 Ų71.49%0.09136%0.364CS..Hα-helixtrans-104.5-31.9-178.5-178.30000112I96 K100 L104 I147 R148I96-V150 HydrophobicContact CD1-CG1 3.72Å; K100-V150 HydrophobicContact CB-CG1 4.01Å; L104-V150 HydrophobicContact CB-CB 4.2Å; L104-V150 HydrophobicContact CB-CG1 4.17Å; L104-V150 HydrophobicContact CB-CG2 3.91Å; L104-V150 HydrophobicContact CD1-CB 4.42Å; L104-V150 HydrophobicContact CD1-CG2 4.28Å; L104-V150 HydrophobicContact CD2-CB 4.26Å; L104-V150 HydrophobicContact CD2-CG1 4.29Å; I147-V150 PolarHBondContact O-N 3.18Å; R148-V150 PolarHBondContact O-N 3.28Å
151I77Confident77Confident28 Ų2873.7 Ų73.714%0.14438%0.377CS..SBendtrans-129.783.8-177.5-52.2155.5000108.2L104 I147 R148 N153 S154L104-I151 HydrophobicContact CD2-CD1 3.97Å; I147-I151 HydrophobicContact CG2-CD1 4.11Å; I147-I151 PolarHBondContact O-N 3.13Å; R148-I151 CarbonylContact O-C 3.24Å; I151-N153 PolarHBondContact O-N 3.26Å; I151-S154 WeakPolarHBondContact CB-OG 3.32Å; I151-S154 WeakPolarHBondContact CG2-OG 3.3Å; I151-S154 PolarHBondContact O-N 2.83Å; I151-S154 PolarHBondContact O-OG 3.03Å
152P69Low76.1Confident93 Ų9372.1 Ų72.160%0.60437%0.37SS*.THydrogen-bonded Turntrans-59.3130.2176.2-17.230.1000108.5
153N65.2Low75Confident168 Ų16868.9 Ų68.990%0.89836%0.364SS*.THydrogen-bonded Turntrans85.819.3-178.2-43.7-35.6000117.3I151I151-N153 PolarHBondContact O-N 3.26Å
154S60.5Low73.8Confident15 Ų1573.4 Ų73.411%0.10539%0.387CS..  trans-105.2140.2172.358.90000112.6I147 I151 F156I147-S154 VanDerWaalsContact CG2-OG 3.23Å; I147-S154 WeakPolarHBondContact CG2-OG 3.17Å; I151-S154 WeakPolarHBondContact CB-OG 3.32Å; I151-S154 WeakPolarHBondContact CG2-OG 3.3Å; I151-S154 PolarHBondContact O-N 2.83Å; I151-S154 PolarHBondContact O-OG 3.03Å; S154-F156 WeakPolarHBondContact OG-CE2 3.34Å
155I59.8Low72.5Confident116 Ų11676.9 Ų76.960%0.59541%0.406SS*.  trans-125.2121.5170.8-56.3175.2000105.7T158I155-T158 HydrophobicContact CG2-CG2 3.91Å
156F60.1Low71.1Confident67 Ų6775.1 Ų75.129%0.29440%0.401SS..  trans-112.3-28.4-177-77-87.5000113.5V87 I147 S154V87-F156 HydrophobicContact CG2-CB 4.37Å; V87-F156 HydrophobicContact CG2-CD1 3.75Å; V87-F156 HydrophobicContact CG2-CE1 4.26Å; V87-F156 HydrophobicContact CG2-CG 4.07Å; I147-F156 HydrophobicContact CB-CD2 4.23Å; I147-F156 HydrophobicContact CB-CE2 4.46Å; I147-F156 HydrophobicContact CD1-CB 3.95Å; I147-F156 HydrophobicContact CD1-CD2 3.57Å; I147-F156 HydrophobicContact CD1-CE2 4.29Å; I147-F156 HydrophobicContact CD1-CG 3.89Å; I147-F156 HydrophobicContact CG1-CD2 4.38Å; I147-F156 HydrophobicContact CG2-CD2 3.29Å; I147-F156 HydrophobicContact CG2-CE2 3.16Å; I147-F156 HydrophobicContact CG2-CG 4.5Å; I147-F156 HydrophobicContact CG2-CZ 4.33Å; S154-F156 WeakPolarHBondContact OG-CE2 3.34Å
157F56.7Low69.6Low8 Ų880.4 Ų80.44%0.03543%0.427CS..  trans-117.6122-176.1-49.7-97000108.3I80 Q83 A84 E140 L143 N144 I147I80-F157 HydrophobicContact CG2-CE1 4.45Å; Q83-F157 HydrophobicContact CB-CD1 3.97Å; Q83-F157 HydrophobicContact CB-CE1 3.42Å; Q83-F157 VanDerWaalsContact CB-CE1 3.42Å; Q83-F157 HydrophobicContact CB-CZ 4.33Å; A84-F157 HydrophobicContact CB-CE1 4.5Å; A84-F157 HydrophobicContact CB-CZ 4.18Å; E140-F157 HydrophobicContact CG-CB 3.77Å; E140-F157 HydrophobicContact CG-CG 4.3Å; E140-F157 VanDerWaalsContact OE1-CB 3.31Å; E140-F157 WeakPolarHBondContact OE1-CB 3.26Å; L143-F157 HydrophobicContact CB-CD2 4.3Å; L143-F157 HydrophobicContact CB-CE2 3.68Å; L143-F157 HydrophobicContact CB-CZ 3.99Å; L143-F157 HydrophobicContact CD1-CE1 4.16Å; L143-F157 HydrophobicContact CD1-CE2 4.44Å; L143-F157 HydrophobicContact CD1-CZ 3.95Å; L143-F157 HydrophobicContact CG-CZ 4.41Å; N144-F157 WeakPolarHBondContact OD1-CD2 3.25Å; I147-F157 HydrophobicContact CD1-CD2 4.42Å; I147-F157 HydrophobicContact CD1-CE2 3.55Å; I147-F157 HydrophobicContact CD1-CZ 4.35Å
158T53.3Low67.9Low185 Ų18587.6 Ų87.6100%1.13547%0.465SS*.  trans-140.70175.750.70000109.7I155I155-T158 HydrophobicContact CG2-CG2 3.91Å

Retrieved 158 of 158 residues in 172.4 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).