A0A077ZP89_TRITR Loading...

Ataxin-10

May play a role in the regulation of cytokinesis. May play a role in signaling by stimulating protein glycosylation. Induces neuritogenesis by activating the Ras-MAP kinase pathway and is necessary for the survival of cerebellar neurons. Does not appear to play a major role in ciliogenesis.

AlphaFold DB , UniProt , Accession A0A077ZP89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M79.2Confident92.2Very high54 Ų5436.5 Ų36.527%0.26622%0.217SC..  0-78.90-168.8-170.8-64.500110A3 D4 V31 L34 L41M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 3.13Å; M1-D4 PolarHBondContact O-N 3Å; M1-V31 HydrophobicContact CG-CB 4.31Å; M1-V31 HydrophobicContact CG-CG1 3.71Å; M1-V31 HydrophobicContact CG-CG2 3.85Å; M1-V31 HydrophobicContact SD-CG1 3.71Å; M1-L34 HydrophobicContact CE-CB 3.94Å; M1-L34 HydrophobicContact CE-CD1 3.6Å; M1-L34 HydrophobicContact CE-CG 4.42Å; M1-L34 HydrophobicContact CG-CD1 4.43Å; M1-L34 HydrophobicContact SD-CB 4.47Å; M1-L34 HydrophobicContact SD-CD1 4.36Å; M1-L41 HydrophobicContact CE-CD1 3.31Å; M1-L41 HydrophobicContact CE-CD2 3.51Å; M1-L41 HydrophobicContact CE-CG 4.02Å; M1-L41 HydrophobicContact SD-CD2 4.23Å
2L87.2Confident92.3Very high1 Ų133.5 Ų33.51%0.00520%0.199CC..Hα-helixtrans-66.5-29.6-179.8-64.6-179.2000113.5D4 L5 I6 V31 L46 Q49 L53 M56 F81L2-D4 VanDerWaalsContact C-N 3.31Å; L2-D4 PolarHBondContact O-N 3.5Å; L2-L5 PolarHBondContact O-N 3.46Å; L2-L5 VanDerWaalsContact O-N 3.13Å; L2-I6 HydrophobicContact CB-CD1 4.45Å; L2-I6 WeakPolarHBondContact O-CG1 3.26Å; L2-I6 PolarHBondContact O-N 3.36Å; L2-V31 HydrophobicContact CD2-CG1 4.19Å; L2-L46 HydrophobicContact CD1-CD2 4.49Å; L2-Q49 HydrophobicContact CD1-CB 4.18Å; L2-L53 HydrophobicContact CD1-CB 4.21Å; L2-M56 HydrophobicContact CD2-SD 3.89Å; L2-F81 HydrophobicContact CD2-CZ 4.49Å
3A90.4Very high92.4Very high55 Ų5533.4 Ų33.446%0.45520%0.196SC..Hα-helixtrans-54.6-42.1178.200000113.6M1 L5 I6 N7M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 3.13Å; A3-L5 VanDerWaalsContact C-N 3.34Å; A3-L5 PolarHBondContact O-N 3.3Å; A3-I6 PolarHBondContact O-N 3.05Å; A3-N7 VanDerWaalsContact O-CG 3.23Å; A3-N7 PolarHBondContact O-N 2.68Å; A3-N7 PolarHBondContact O-ND2 2.84Å
4D91.2Very high92.3Very high88 Ų8841.4 Ų41.447%0.47123%0.231SC..Hα-helixtrans-68.7-36.2-179.7-55.1-49.8000111.6M1 L2 A8 K27M1-D4 PolarHBondContact O-N 3Å; L2-D4 VanDerWaalsContact C-N 3.31Å; L2-D4 PolarHBondContact O-N 3.5Å; D4-A8 PolarHBondContact O-N 3.18Å; D4-A8 VanDerWaalsContact O-N 3.1Å; D4-K27 HydrophobicContact CB-CD 4.14Å
5L94.2Very high92.1Very high0 Ų046.9 Ų46.90%025%0.254CS..Hα-helixtrans-70-39.7174.6176.356.5000111.6L2 A3 N7 A8 L9 V24 K27 M28 M56 F81L2-L5 PolarHBondContact O-N 3.46Å; L2-L5 VanDerWaalsContact O-N 3.13Å; A3-L5 VanDerWaalsContact C-N 3.34Å; A3-L5 PolarHBondContact O-N 3.3Å; L5-N7 VanDerWaalsContact C-N 3.35Å; L5-A8 PolarHBondContact O-N 3.33Å; L5-L9 HydrophobicContact CD1-CD1 4.41Å; L5-L9 HydrophobicContact CD1-CG 4.31Å; L5-L9 HydrophobicContact CG-CD1 4.24Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 2.8Å; L5-V24 HydrophobicContact CD1-CG1 4.34Å; L5-K27 HydrophobicContact CB-CB 4.23Å; L5-K27 HydrophobicContact CD1-CB 3.83Å; L5-M28 HydrophobicContact CD1-CE 4.32Å; L5-M28 HydrophobicContact CD1-CG 3.6Å; L5-M28 HydrophobicContact CD2-CG 4Å; L5-M28 HydrophobicContact CG-CG 4.48Å; L5-M56 HydrophobicContact CD2-CG 4.06Å; L5-M56 HydrophobicContact CD2-SD 3.56Å; L5-M56 VanDerWaalsContact CD2-SD 3.56Å; L5-M56 HydrophobicContact CG-CG 4.25Å; L5-M56 HydrophobicContact CG-SD 4.36Å; L5-F81 HydrophobicContact CD2-CD1 4.5Å; L5-F81 HydrophobicContact CD2-CE1 3.8Å; L5-F81 HydrophobicContact CD2-CZ 3.87Å
6I95.3Very high91.8Very high19 Ų1946.3 Ų46.310%0.09725%0.254CS..Hα-helixtrans-60.5-45.4175-71165.5000110.6L2 A3 A8 L9 D10 S52 C55 M56 K59L2-I6 HydrophobicContact CB-CD1 4.45Å; L2-I6 WeakPolarHBondContact O-CG1 3.26Å; L2-I6 PolarHBondContact O-N 3.36Å; A3-I6 PolarHBondContact O-N 3.05Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.34Å; I6-L9 WeakPolarHBondContact O-CB 3.28Å; I6-L9 PolarHBondContact O-N 3.3Å; I6-D10 PolarHBondContact O-N 3.26Å; I6-S52 WeakPolarHBondContact CD1-O 3.23Å; I6-C55 HydrophobicContact CD1-CB 4.4Å; I6-M56 HydrophobicContact CD1-CB 4.38Å; I6-M56 HydrophobicContact CG1-CB 3.87Å; I6-M56 HydrophobicContact CG1-CG 4.44Å; I6-K59 HydrophobicContact CG2-CD 3.84Å
7N95.8Very high91.8Very high103 Ų10347.5 Ų47.555%0.55126%0.263SS*.Hα-helixtrans-62.8-40.7177.4-68.3-22.2000112A3 L5 D10 A11A3-N7 VanDerWaalsContact O-CG 3.23Å; A3-N7 PolarHBondContact O-N 2.68Å; A3-N7 PolarHBondContact O-ND2 2.84Å; L5-N7 VanDerWaalsContact C-N 3.35Å; N7-D10 PolarHBondContact O-N 3.46Å; N7-A11 PolarHBondContact O-N 2.96Å
8A95.6Very high91.6Very high1 Ų149.7 Ų49.71%0.00827%0.274CS..Hα-helixtrans-64.7-39.9175.200000111.9D4 L5 I6 D10 A11 A12 E23 V24 K27D4-A8 PolarHBondContact O-N 3.18Å; D4-A8 VanDerWaalsContact O-N 3.1Å; L5-A8 PolarHBondContact O-N 3.33Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.34Å; A8-D10 VanDerWaalsContact C-N 3.35Å; A8-A11 PolarHBondContact O-N 3.44Å; A8-A12 WeakPolarHBondContact O-CB 3.21Å; A8-A12 PolarHBondContact O-N 2.87Å; A8-E23 HydrophobicContact CB-CG 4.09Å; A8-V24 VanDerWaalsContact C-CG2 3.48Å; A8-V24 HydrophobicContact CB-CG2 3.94Å; A8-V24 VanDerWaalsContact O-CG2 3.26Å; A8-V24 WeakPolarHBondContact O-CG2 3.32Å; A8-K27 HydrophobicContact CB-CG 4.08Å
9L95.2Very high91.7Very high0 Ų053.6 Ų53.60%030%0.295CS..Hα-helixtrans-63.2-40.8174.6-74.8167.2000111.5L5 I6 A12 L13 V24 M28 M56 K59 M60 L63L5-L9 HydrophobicContact CD1-CD1 4.41Å; L5-L9 HydrophobicContact CD1-CG 4.31Å; L5-L9 HydrophobicContact CG-CD1 4.24Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 2.8Å; I6-L9 WeakPolarHBondContact O-CB 3.28Å; I6-L9 PolarHBondContact O-N 3.3Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-L13 WeakPolarHBondContact O-CB 3.26Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.47Å; L9-V24 HydrophobicContact CD2-CG1 3.74Å; L9-V24 HydrophobicContact CD2-CG2 4.22Å; L9-V24 HydrophobicContact CG-CG1 4.38Å; L9-V24 HydrophobicContact CG-CG2 4.49Å; L9-M28 HydrophobicContact CD2-CE 4.26Å; L9-M56 HydrophobicContact CD1-CG 3.74Å; L9-K59 HydrophobicContact CB-CB 4.01Å; L9-K59 HydrophobicContact CB-CD 4.48Å; L9-K59 HydrophobicContact CD1-CB 4.12Å; L9-M60 HydrophobicContact CD1-CB 4.38Å; L9-M60 HydrophobicContact CD2-CB 4.4Å; L9-L63 HydrophobicContact CD2-CD2 3.99Å
10D95.3Very high91.8Very high48 Ų4852.1 Ų52.126%0.25729%0.287SS..Hα-helixtrans-62.4-46.3175.6-80.4-34000112.1I6 N7 A8 A12 L13 E14 K59I6-D10 PolarHBondContact O-N 3.26Å; N7-D10 PolarHBondContact O-N 3.46Å; A8-D10 VanDerWaalsContact C-N 3.35Å; D10-A12 VanDerWaalsContact C-N 3.28Å; D10-A12 PolarHBondContact O-N 2.94Å; D10-L13 PolarHBondContact O-N 2.9Å; D10-E14 WeakPolarHBondContact O-CG 3.47Å; D10-E14 PolarHBondContact O-N 3.45Å; D10-K59 IonicContact OD1-NZ 3.83Å; D10-K59 PolarHBondContact OD1-NZ 2.95Å; D10-K59 IonicContact OD2-NZ 3.26Å; D10-K59 PolarHBondContact OD2-NZ 2.99Å
11A94.5Very high91.9Very high33 Ų3349.7 Ų49.727%0.27327%0.274SS..Hα-helixtrans-58.8-40.8175.400000112N7 A8 E14 H15N7-A11 PolarHBondContact O-N 2.96Å; A8-A11 PolarHBondContact O-N 3.44Å; A11-E14 PolarHBondContact O-N 3.27Å; A11-H15 PolarHBondContact O-N 3.4Å
12A94Very high92.6Very high0 Ų051.6 Ų51.60%029%0.286CS..Hα-helixtrans-69.2-36.5177.200000113.3A8 L9 D10 H15 C16 C20 L21 V24 L63A8-A12 WeakPolarHBondContact O-CB 3.21Å; A8-A12 PolarHBondContact O-N 2.87Å; L9-A12 PolarHBondContact O-N 2.95Å; D10-A12 VanDerWaalsContact C-N 3.28Å; D10-A12 PolarHBondContact O-N 2.94Å; A12-H15 CarbonylContact O-C 3.6Å; A12-H15 VanDerWaalsContact O-C 3.3Å; A12-C16 VanDerWaalsContact O-CA 3.28Å; A12-C16 WeakPolarHBondContact O-CA 3.27Å; A12-C16 WeakPolarHBondContact O-CB 3.41Å; A12-C16 PolarHBondContact O-N 3.31Å; A12-C16 VanDerWaalsContact O-N 3.16Å; A12-C20 HydrophobicContact CB-CB 4.08Å; A12-L21 HydrophobicContact CB-CD2 4.37Å; A12-V24 HydrophobicContact CB-CG2 3.77Å; A12-L63 HydrophobicContact CB-CD1 4.36Å; A12-L63 HydrophobicContact CB-CD2 4.48Å
13L92.8Very high93Very high32 Ų3255.9 Ų55.917%0.16831%0.305CS..Hα-helixtrans-70.8-32176-74.9172.2000112.7L9 D10 K59 R62 L63 M66L9-L13 WeakPolarHBondContact O-CB 3.26Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.47Å; D10-L13 PolarHBondContact O-N 2.9Å; L13-K59 HydrophobicContact CD1-CB 3.87Å; L13-K59 HydrophobicContact CD1-CG 4.08Å; L13-R62 HydrophobicContact CD1-CB 4.48Å; L13-R62 HydrophobicContact CD2-CB 3.9Å; L13-L63 HydrophobicContact CD2-CB 4.01Å; L13-L63 HydrophobicContact CD2-CD1 4.25Å; L13-M66 HydrophobicContact CD2-SD 4.41Å
14E92.2Very high93.2Very high146 Ų14653.2 Ų53.268%0.68228%0.284SS*.Hα-helixtrans-77.1-41.2174.3-71.8-178.6177.500111.8D10 A11D10-E14 WeakPolarHBondContact O-CG 3.47Å; D10-E14 PolarHBondContact O-N 3.45Å; A11-E14 PolarHBondContact O-N 3.27Å
15H89Confident93.4Very high124 Ų12450.6 Ų50.657%0.57427%0.269SS*.  trans-138.890.2-175.2-62.9-35000110.2A11 A12 T17 C20A11-H15 PolarHBondContact O-N 3.4Å; A12-H15 CarbonylContact O-C 3.6Å; A12-H15 VanDerWaalsContact O-C 3.3Å; H15-T17 HydrophobicContact CB-CG2 4.41Å; H15-T17 PolarHBondContact O-N 3.08Å; H15-C20 WeakPolarHBondContact O-CB 3.26Å; H15-C20 PolarHBondContact O-SG 2.65Å
16C87.4Confident93.5Very high37 Ų3755.9 Ų55.925%0.2529%0.294CS..  trans-75.259.7-178.8-160.60000113A12 E69A12-C16 VanDerWaalsContact O-CA 3.28Å; A12-C16 WeakPolarHBondContact O-CA 3.27Å; A12-C16 WeakPolarHBondContact O-CB 3.41Å; A12-C16 PolarHBondContact O-N 3.31Å; A12-C16 VanDerWaalsContact O-N 3.16Å; C16-E69 HydrophobicContact CB-CB 4Å; C16-E69 WeakPolarHBondContact CB-OE2 3.4Å; C16-E69 VanDerWaalsContact SG-CB 3.53Å; C16-E69 PolarHBondContact SG-O 2.72Å
17T91Very high93.5Very high67 Ų6757.3 Ų57.341%0.41130%0.299SS..  trans-86.9159.8174.266.10000110.6H15 D19 C20 L21H15-T17 HydrophobicContact CB-CG2 4.41Å; H15-T17 PolarHBondContact O-N 3.08Å; T17-D19 PolarHBondContact O-N 3.34Å; T17-C20 PolarHBondContact O-N 2.76Å; T17-C20 PolarHBondContact OG1-N 3.24Å; T17-C20 PolarHBondContact OG1-SG 3.47Å; T17-L21 WeakPolarHBondContact O-CG 3.29Å; T17-L21 PolarHBondContact O-N 2.82Å; T17-L21 VanDerWaalsContact O-N 3.08Å
18N89.2Confident93.4Very high87 Ų8752.6 Ų52.647%0.46527%0.274SS..Hα-helixtrans-58.5-36.3176.8-63.4-12.7000112.4N22 K71N18-N22 VanDerWaalsContact O-CB 3.31Å; N18-N22 WeakPolarHBondContact O-CB 3.45Å; N18-N22 PolarHBondContact O-N 2.72Å; N18-N22 PolarHBondContact O-ND2 3.07Å; N18-N22 VanDerWaalsContact O-ND2 3.13Å; N18-K71 VanDerWaalsContact CG-NZ 3.27Å; N18-K71 WeakPolarHBondContact OD1-CE 3.43Å; N18-K71 PolarHBondContact OD1-NZ 3.12Å
19D93.2Very high93.2Very high124 Ų12455.7 Ų55.766%0.66329%0.293SS*.Hα-helixtrans-69.3-43.3-177.5-63.4-23.7000110.8T17 N22 E23T17-D19 PolarHBondContact O-N 3.34Å; D19-N22 PolarHBondContact O-N 3.21Å; D19-E23 PolarHBondContact O-N 2.91Å
20C94Very high93.1Very high22 Ų2259.3 Ų59.315%0.14931%0.31CS..Hα-helixtrans-63.7-42.9175.5-64.30000111.7A12 H15 T17 E23 V24A12-C20 HydrophobicContact CB-CB 4.08Å; H15-C20 WeakPolarHBondContact O-CB 3.26Å; H15-C20 PolarHBondContact O-SG 2.65Å; T17-C20 PolarHBondContact O-N 2.76Å; T17-C20 PolarHBondContact OG1-N 3.24Å; T17-C20 PolarHBondContact OG1-SG 3.47Å; C20-E23 WeakPolarHBondContact O-CB 3.37Å; C20-E23 PolarHBondContact O-N 3.5Å; C20-V24 WeakPolarHBondContact O-CG2 3.47Å; C20-V24 PolarHBondContact O-N 3.36Å
21L93.1Very high92.8Very high3 Ų357.4 Ų57.42%0.01630%0.3CS..Hα-helixtrans-65.1-39.8176.3-68.5175.4000112.6A12 T17 E23 V24 I25 L63 E69 K71 C74A12-L21 HydrophobicContact CB-CD2 4.37Å; T17-L21 WeakPolarHBondContact O-CG 3.29Å; T17-L21 PolarHBondContact O-N 2.82Å; T17-L21 VanDerWaalsContact O-N 3.08Å; L21-E23 VanDerWaalsContact C-N 3.31Å; L21-V24 PolarHBondContact O-N 2.98Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.28Å; L21-L63 HydrophobicContact CD2-CD1 4.16Å; L21-L63 HydrophobicContact CD2-CD2 4.12Å; L21-E69 WeakPolarHBondContact CD1-O 3.39Å; L21-K71 HydrophobicContact CD1-CB 4.48Å; L21-K71 HydrophobicContact CD1-CD 4.26Å; L21-K71 HydrophobicContact CD1-CG 3.93Å; L21-C74 HydrophobicContact CD2-CB 4.41Å
22N94Very high92.5Very high94 Ų9455.9 Ų55.950%0.50329%0.287SS..Hα-helixtrans-64.8-37.3175.6-75-26.8000111.4N18 D19 I25 Q26N18-N22 VanDerWaalsContact O-CB 3.31Å; N18-N22 WeakPolarHBondContact O-CB 3.45Å; N18-N22 PolarHBondContact O-N 2.72Å; N18-N22 PolarHBondContact O-ND2 3.07Å; N18-N22 VanDerWaalsContact O-ND2 3.13Å; D19-N22 PolarHBondContact O-N 3.21Å; N22-I25 PolarHBondContact O-N 3.12Å; N22-Q26 WeakPolarHBondContact O-CB 3.37Å; N22-Q26 PolarHBondContact O-N 2.98Å
23E95.3Very high92.1Very high90 Ų9063.2 Ų63.242%0.42132%0.319SS..Hα-helixtrans-63.6-45.3173.8-174.2172.9-17400111.4A8 D19 C20 L21 I25 Q26 K27A8-E23 HydrophobicContact CB-CG 4.09Å; D19-E23 PolarHBondContact O-N 2.91Å; C20-E23 WeakPolarHBondContact O-CB 3.37Å; C20-E23 PolarHBondContact O-N 3.5Å; L21-E23 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 3.21Å; E23-Q26 PolarHBondContact O-N 3.42Å; E23-K27 HydrophobicContact CG-CG 4.44Å; E23-K27 WeakPolarHBondContact O-CG 3.27Å; E23-K27 PolarHBondContact O-N 3.47Å
24V95.4Very high91.7Very high0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-55.9-50.1173.6171.90000111L5 A8 L9 A12 C20 L21 Q26 K27 M28L5-V24 HydrophobicContact CD1-CG1 4.34Å; A8-V24 VanDerWaalsContact C-CG2 3.48Å; A8-V24 HydrophobicContact CB-CG2 3.94Å; A8-V24 VanDerWaalsContact O-CG2 3.26Å; A8-V24 WeakPolarHBondContact O-CG2 3.32Å; L9-V24 HydrophobicContact CD2-CG1 3.74Å; L9-V24 HydrophobicContact CD2-CG2 4.22Å; L9-V24 HydrophobicContact CG-CG1 4.38Å; L9-V24 HydrophobicContact CG-CG2 4.49Å; A12-V24 HydrophobicContact CB-CG2 3.77Å; C20-V24 WeakPolarHBondContact O-CG2 3.47Å; C20-V24 PolarHBondContact O-N 3.36Å; L21-V24 PolarHBondContact O-N 2.98Å; V24-Q26 VanDerWaalsContact C-N 3.33Å; V24-Q26 PolarHBondContact O-N 3.45Å; V24-K27 PolarHBondContact O-N 3.31Å; V24-M28 HydrophobicContact CG1-CE 3.59Å; V24-M28 HydrophobicContact CG1-CG 4.45Å; V24-M28 HydrophobicContact CG1-SD 4.13Å; V24-M28 WeakPolarHBondContact O-CG 3.4Å; V24-M28 PolarHBondContact O-N 3.47Å
25I95.4Very high91.3Very high32 Ų3258.2 Ų58.216%0.16430%0.297CS..Hα-helixtrans-57-48.3177.3-70.9166.3000110.5L21 N22 E23 K27 M28 V29 P73 C74 C77L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.28Å; N22-I25 PolarHBondContact O-N 3.12Å; E23-I25 PolarHBondContact O-N 3.21Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 2.92Å; I25-M28 PolarHBondContact O-N 3.16Å; I25-V29 HydrophobicContact CG2-CG2 4.49Å; I25-V29 WeakPolarHBondContact O-CG2 3.49Å; I25-V29 PolarHBondContact O-N 2.88Å; I25-P73 HydrophobicContact CD1-CB 4.23Å; I25-C74 HydrophobicContact CD1-CB 4.09Å; I25-C74 HydrophobicContact CG1-CB 4.16Å; I25-C77 HydrophobicContact CG1-CB 4.32Å; I25-C77 HydrophobicContact CG2-CB 4.47Å
26Q95.7Very high90.6Very high112 Ų11253.3 Ų53.352%0.52328%0.28SS..Hα-helixtrans-61-43-179.6-171.4-177.9-21.100111.3N22 E23 V24 V29 E30N22-Q26 WeakPolarHBondContact O-CB 3.37Å; N22-Q26 PolarHBondContact O-N 2.98Å; E23-Q26 PolarHBondContact O-N 3.42Å; V24-Q26 VanDerWaalsContact C-N 3.33Å; V24-Q26 PolarHBondContact O-N 3.45Å; Q26-V29 PolarHBondContact O-N 3.46Å; Q26-E30 PolarHBondContact NE2-OE1 3.39Å; Q26-E30 WeakPolarHBondContact O-CB 3.41Å; Q26-E30 WeakPolarHBondContact O-CG 3.38Å; Q26-E30 PolarHBondContact O-N 3.31Å
27K94.9Very high89.6Confident48 Ų4857.7 Ų57.721%0.20931%0.311CS..Hα-helixtrans-65.9-40.8177-67.3-65.2165.4-157.20112.5D4 L5 A8 E23 V24 I25 V29 E30 V31D4-K27 HydrophobicContact CB-CD 4.14Å; L5-K27 HydrophobicContact CB-CB 4.23Å; L5-K27 HydrophobicContact CD1-CB 3.83Å; A8-K27 HydrophobicContact CB-CG 4.08Å; E23-K27 HydrophobicContact CG-CG 4.44Å; E23-K27 WeakPolarHBondContact O-CG 3.27Å; E23-K27 PolarHBondContact O-N 3.47Å; V24-K27 PolarHBondContact O-N 3.31Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 2.92Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-V29 PolarHBondContact O-N 2.91Å; K27-E30 IonicContact NZ-OE2 2.56Å; K27-E30 PolarHBondContact NZ-OE2 3.34Å; K27-E30 PolarHBondContact O-N 2.86Å; K27-V31 WeakPolarHBondContact O-CB 3.41Å; K27-V31 VanDerWaalsContact O-CG2 3.27Å; K27-V31 WeakPolarHBondContact O-CG2 3.4Å; K27-V31 PolarHBondContact O-N 2.99Å
28M94.2Very high88.5Confident5 Ų563.4 Ų63.43%0.02533%0.333CS..Hα-helixtrans-60.7-40.4172.9-71.8179.5177.700111.7L5 L9 V24 I25 G32 M60 C77 A78 F81L5-M28 HydrophobicContact CD1-CE 4.32Å; L5-M28 HydrophobicContact CD1-CG 3.6Å; L5-M28 HydrophobicContact CD2-CG 4Å; L5-M28 HydrophobicContact CG-CG 4.48Å; L9-M28 HydrophobicContact CD2-CE 4.26Å; V24-M28 HydrophobicContact CG1-CE 3.59Å; V24-M28 HydrophobicContact CG1-CG 4.45Å; V24-M28 HydrophobicContact CG1-SD 4.13Å; V24-M28 WeakPolarHBondContact O-CG 3.4Å; V24-M28 PolarHBondContact O-N 3.47Å; I25-M28 PolarHBondContact O-N 3.16Å; M28-G32 WeakPolarHBondContact O-CA 3.28Å; M28-G32 PolarHBondContact O-N 3.42Å; M28-M60 HydrophobicContact CE-CG 4.18Å; M28-M60 HydrophobicContact CE-SD 3.66Å; M28-C77 HydrophobicContact SD-CB 4.28Å; M28-A78 HydrophobicContact CE-CB 3.98Å; M28-A78 HydrophobicContact SD-CB 4.13Å; M28-F81 HydrophobicContact CB-CB 4.41Å; M28-F81 HydrophobicContact CB-CD2 4.27Å; M28-F81 HydrophobicContact CB-CG 4.3Å; M28-F81 HydrophobicContact CG-CG 4.35Å; M28-F81 WeakPolarHBondContact O-CD2 3.42Å
29V92.3Very high87.6Confident65 Ų6560.4 Ų60.439%0.39432%0.319SS..Hα-helixtrans-68.9-44.1177.1171.40000111.7I25 Q26 K27 G32 K33I25-V29 HydrophobicContact CG2-CG2 4.49Å; I25-V29 WeakPolarHBondContact O-CG2 3.49Å; I25-V29 PolarHBondContact O-N 2.88Å; Q26-V29 PolarHBondContact O-N 3.46Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-V29 PolarHBondContact O-N 2.91Å; V29-G32 PolarHBondContact O-N 3.29Å; V29-K33 HydrophobicContact CG1-CD 4.44Å; V29-K33 VanDerWaalsContact O-CG 3.31Å; V29-K33 WeakPolarHBondContact O-CG 3.49Å; V29-K33 PolarHBondContact O-N 2.9Å
30E91.2Very high86.4Confident77 Ų7760.1 Ų60.136%0.3632%0.324SS..Hα-helixtrans-60.2-51.4177-77.2172.9-173.800111.2Q26 K27 K33Q26-E30 PolarHBondContact NE2-OE1 3.39Å; Q26-E30 WeakPolarHBondContact O-CB 3.41Å; Q26-E30 WeakPolarHBondContact O-CG 3.38Å; Q26-E30 PolarHBondContact O-N 3.31Å; K27-E30 IonicContact NZ-OE2 2.56Å; K27-E30 PolarHBondContact NZ-OE2 3.34Å; K27-E30 PolarHBondContact O-N 2.86Å; E30-K33 PolarHBondContact O-N 3.41Å
31V88.9Confident85.5Confident8 Ų860.5 Ų60.55%0.04832%0.324CS..Hα-helixtrans-64.9-43.4176.9176.80000110.4M1 L2 K27 K33 L34 I35 F81M1-V31 HydrophobicContact CG-CB 4.31Å; M1-V31 HydrophobicContact CG-CG1 3.71Å; M1-V31 HydrophobicContact CG-CG2 3.85Å; M1-V31 HydrophobicContact SD-CG1 3.71Å; L2-V31 HydrophobicContact CD2-CG1 4.19Å; K27-V31 WeakPolarHBondContact O-CB 3.41Å; K27-V31 VanDerWaalsContact O-CG2 3.27Å; K27-V31 WeakPolarHBondContact O-CG2 3.4Å; K27-V31 PolarHBondContact O-N 2.99Å; V31-K33 PolarHBondContact O-N 2.94Å; V31-L34 WeakPolarHBondContact O-CA 3.4Å; V31-L34 WeakPolarHBondContact O-CB 3.49Å; V31-L34 PolarHBondContact O-N 3.16Å; V31-I35 HydrophobicContact CG1-CD1 3.92Å; V31-I35 WeakPolarHBondContact O-CG1 3.42Å; V31-I35 PolarHBondContact O-N 3.3Å; V31-F81 HydrophobicContact CB-CE2 3.87Å; V31-F81 HydrophobicContact CB-CZ 4.17Å; V31-F81 HydrophobicContact CG1-CE2 3.61Å; V31-F81 HydrophobicContact CG1-CZ 3.61Å
32G88.4Confident84.6Confident1 Ų163.8 Ų63.81%0.0135%0.346CS..Hα-helixtrans-63.9-25.4-179.400000113.8M28 V29 L34 I35 R84M28-G32 WeakPolarHBondContact O-CA 3.28Å; M28-G32 PolarHBondContact O-N 3.42Å; V29-G32 PolarHBondContact O-N 3.29Å; G32-L34 VanDerWaalsContact C-N 3.27Å; G32-I35 PolarHBondContact O-N 2.9Å; G32-R84 VanDerWaalsContact C-NH1 3.3Å; G32-R84 WeakPolarHBondContact O-CD 3.46Å; G32-R84 PolarHBondContact O-NH1 3.31Å
33K86.3Confident83.9Confident153 Ų15363.3 Ų63.367%0.66534%0.339SS*.Hα-helixtrans-70.2-24.8170.8-77.1170.3-178.8176.10112.5V29 E30 V31 I35V29-K33 HydrophobicContact CG1-CD 4.44Å; V29-K33 VanDerWaalsContact O-CG 3.31Å; V29-K33 WeakPolarHBondContact O-CG 3.49Å; V29-K33 PolarHBondContact O-N 2.9Å; E30-K33 PolarHBondContact O-N 3.41Å; V31-K33 PolarHBondContact O-N 2.94Å; K33-I35 VanDerWaalsContact C-N 3.3Å
34L85.1Confident83.2Confident71 Ų7165.3 Ų65.337%0.37235%0.348SS..THydrogen-bonded Turntrans-86.71175.4-54.5175.4000112.5M1 V31 G32 S39M1-L34 HydrophobicContact CE-CB 3.94Å; M1-L34 HydrophobicContact CE-CD1 3.6Å; M1-L34 HydrophobicContact CE-CG 4.42Å; M1-L34 HydrophobicContact CG-CD1 4.43Å; M1-L34 HydrophobicContact SD-CB 4.47Å; M1-L34 HydrophobicContact SD-CD1 4.36Å; V31-L34 WeakPolarHBondContact O-CA 3.4Å; V31-L34 WeakPolarHBondContact O-CB 3.49Å; V31-L34 PolarHBondContact O-N 3.16Å; G32-L34 VanDerWaalsContact C-N 3.27Å; L34-S39 WeakPolarHBondContact O-CB 3.49Å; L34-S39 PolarHBondContact O-OG 3.12Å
35I83.2Confident82.5Confident3 Ų369.2 Ų69.22%0.01537%0.369CS..SBendtrans-123.1113.3-178.1-58.1-178.2000107.7V31 G32 K33 L46 F81 R84 I85 F88V31-I35 HydrophobicContact CG1-CD1 3.92Å; V31-I35 WeakPolarHBondContact O-CG1 3.42Å; V31-I35 PolarHBondContact O-N 3.3Å; G32-I35 PolarHBondContact O-N 2.9Å; K33-I35 VanDerWaalsContact C-N 3.3Å; I35-L46 HydrophobicContact CD1-CD1 3.88Å; I35-L46 HydrophobicContact CD1-CD2 4.2Å; I35-L46 HydrophobicContact CG1-CD1 3.99Å; I35-L46 HydrophobicContact CG2-CD1 4.26Å; I35-F81 HydrophobicContact CD1-CE2 4.16Å; I35-F81 HydrophobicContact CD1-CZ 4.25Å; I35-R84 HydrophobicContact CG2-CG 4.19Å; I35-R84 WeakPolarHBondContact O-CD 3.5Å; I35-R84 WeakPolarHBondContact O-CG 3.3Å; I35-I85 HydrophobicContact CD1-CG1 3.95Å; I35-F88 HydrophobicContact CB-CD1 4.5Å; I35-F88 HydrophobicContact CG2-CB 3.61Å; I35-F88 HydrophobicContact CG2-CD1 3.6Å; I35-F88 HydrophobicContact CG2-CG 3.78Å
36G73.6Confident81.8Confident21 Ų2167.9 Ų67.922%0.21636%0.362CS..SBendtrans159.6173.4-177.600000113.8E38 S39 F88G36-E38 PolarHBondContact O-N 3.42Å; G36-S39 WeakPolarHBondContact O-CB 3.39Å; G36-S39 PolarHBondContact O-N 3.24Å; G36-F88 WeakPolarHBondContact O-CD2 3.3Å; G36-F88 WeakPolarHBondContact O-CE2 3.43Å
37S67.1Low81Confident128 Ų12865.5 Ų65.590%0.89535%0.353SS*.THydrogen-bonded Turntrans-59.7-28.6-175.649.90000114.4
38E68.9Low80.5Confident188 Ų18866.5 Ų66.588%0.87938%0.377SS*.THydrogen-bonded Turntrans-96.311.5176.7-60.9-175.5173.900112.5G36G36-E38 PolarHBondContact O-N 3.42Å
39S69.4Low80.2Confident24 Ų2468.8 Ų68.817%0.16839%0.387CS..  trans-71.3135.2-175.8178.70000111.8L34 G36 L41L34-S39 WeakPolarHBondContact O-CB 3.49Å; L34-S39 PolarHBondContact O-OG 3.12Å; G36-S39 WeakPolarHBondContact O-CB 3.39Å; G36-S39 PolarHBondContact O-N 3.24Å; S39-L41 PolarHBondContact O-N 3.17Å; S39-L41 WeakPolarHBondContact OG-CB 3.39Å; S39-L41 PolarHBondContact OG-N 3.42Å
40P68.9Low79.8Confident118 Ų11868.2 Ų68.277%0.76638%0.38SS*.SBendtrans-72.7-7.7167.832.2-35.3000112.7
41L73.9Confident79.6Confident30 Ų3072.9 Ų72.916%0.15740%0.402CS..SBendtrans-81.5128-174-146.489.5000111M1 S39 K43 L45 L46M1-L41 HydrophobicContact CE-CD1 3.31Å; M1-L41 HydrophobicContact CE-CD2 3.51Å; M1-L41 HydrophobicContact CE-CG 4.02Å; M1-L41 HydrophobicContact SD-CD2 4.23Å; S39-L41 PolarHBondContact O-N 3.17Å; S39-L41 WeakPolarHBondContact OG-CB 3.39Å; S39-L41 PolarHBondContact OG-N 3.42Å; L41-K43 PolarHBondContact O-N 3.32Å; L41-L45 HydrophobicContact CD1-CD2 3.81Å; L41-L45 HydrophobicContact CD2-CB 4.31Å; L41-L45 HydrophobicContact CD2-CD2 3.98Å; L41-L45 HydrophobicContact CG-CB 4.45Å; L41-L45 HydrophobicContact CG-CD2 3.85Å; L41-L46 HydrophobicContact CD2-CD1 4.49Å; L41-L46 HydrophobicContact CD2-CG 4.18Å
42P74.4Confident79.7Confident72 Ų7274.6 Ų74.647%0.46841%0.414SS..  trans-62.9137.2170.1-14.427.1000110E44 L45P42-E44 HydrophobicContact CB-CB 4.44Å; P42-E44 WeakPolarHBondContact CB-OE2 3.47Å; P42-E44 PolarHBondContact O-N 3.02Å; P42-L45 WeakPolarHBondContact O-CB 3.22Å; P42-L45 PolarHBondContact O-N 3Å
43K79.6Confident79.7Confident83 Ų8374.6 Ų74.636%0.36141%0.414SS..Hα-helixtrans-57.4-32.2174.5-65.2-174.8-179.8-160.20111.1L41 L45 L46 L47 F88L41-K43 PolarHBondContact O-N 3.32Å; K43-L45 PolarHBondContact O-N 2.79Å; K43-L46 PolarHBondContact O-N 3.29Å; K43-L47 WeakPolarHBondContact O-CG 3.49Å; K43-L47 PolarHBondContact O-N 3.48Å; K43-L47 VanDerWaalsContact O-N 3.09Å; K43-F88 WeakPolarHBondContact CD-O 3.49Å; K43-F88 WeakPolarHBondContact CE-O 3.19Å; K43-F88 HydrophobicContact CG-CD1 4.48Å; K43-F88 HydrophobicContact CG-CE1 3.97Å; K43-F88 HydrophobicContact CG-CE2 4.33Å; K43-F88 HydrophobicContact CG-CZ 3.89Å; K43-F88 PolarHBondContact NZ-O 3.33Å
44E79.6Confident79.9Confident133 Ų13369 Ų6962%0.62139%0.392SS*.Hα-helixtrans-58-28.3177.3-61.274.8-163.500112.5P42 L47 G48P42-E44 HydrophobicContact CB-CB 4.44Å; P42-E44 WeakPolarHBondContact CB-OE2 3.47Å; P42-E44 PolarHBondContact O-N 3.02Å; E44-L47 PolarHBondContact O-N 2.67Å; E44-G48 PolarHBondContact O-N 3.4Å
45L81.2Confident80.3Confident81 Ų8167.8 Ų67.842%0.42439%0.389SS..Hα-helixtrans-71.2-41.8178.9-171.666.5000111.8L41 P42 K43 L47 G48 Q49L41-L45 HydrophobicContact CD1-CD2 3.81Å; L41-L45 HydrophobicContact CD2-CB 4.31Å; L41-L45 HydrophobicContact CD2-CD2 3.98Å; L41-L45 HydrophobicContact CG-CB 4.45Å; L41-L45 HydrophobicContact CG-CD2 3.85Å; P42-L45 WeakPolarHBondContact O-CB 3.22Å; P42-L45 PolarHBondContact O-N 3Å; K43-L45 PolarHBondContact O-N 2.79Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-G48 PolarHBondContact O-N 3.11Å; L45-Q49 WeakPolarHBondContact O-CG 3.22Å; L45-Q49 PolarHBondContact O-N 3.19Å
46L80.4Confident80.8Confident4 Ų467.6 Ų67.62%0.02139%0.389CS..Hα-helixtrans-69.5-35.2173.7-77.2169.9000111.4L2 I35 L41 K43 G48 Q49 Q50 F88 V89L2-L46 HydrophobicContact CD1-CD2 4.49Å; I35-L46 HydrophobicContact CD1-CD1 3.88Å; I35-L46 HydrophobicContact CD1-CD2 4.2Å; I35-L46 HydrophobicContact CG1-CD1 3.99Å; I35-L46 HydrophobicContact CG2-CD1 4.26Å; L41-L46 HydrophobicContact CD2-CD1 4.49Å; L41-L46 HydrophobicContact CD2-CG 4.18Å; K43-L46 PolarHBondContact O-N 3.29Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 3.42Å; L46-Q49 CarbonylContact O-C 3.55Å; L46-Q49 PolarHBondContact O-N 3.47Å; L46-Q50 PolarHBondContact O-NE2 3.5Å; L46-Q50 VanDerWaalsContact O-NE2 3.1Å; L46-F88 HydrophobicContact CD1-CD1 3.89Å; L46-F88 HydrophobicContact CD1-CE1 4.13Å; L46-V89 HydrophobicContact CB-CG2 4.07Å; L46-V89 HydrophobicContact CD1-CG2 3.72Å
47L80.6Confident81.6Confident63 Ų6366.6 Ų66.633%0.3338%0.378SS..Hα-helixtrans-64.8-31.5171.3-68.3172.2000112.5K43 E44 L45 Q49 Q50 V89 E91K43-L47 WeakPolarHBondContact O-CG 3.49Å; K43-L47 PolarHBondContact O-N 3.48Å; K43-L47 VanDerWaalsContact O-N 3.09Å; E44-L47 PolarHBondContact O-N 2.67Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L47-Q49 PolarHBondContact O-N 3.2Å; L47-Q50 WeakPolarHBondContact O-CG 3.5Å; L47-V89 HydrophobicContact CD2-CG1 3.55Å; L47-V89 HydrophobicContact CG-CG1 3.87Å; L47-E91 HydrophobicContact CD2-CB 3.91Å
48G84Confident82.8Confident69 Ų6964 Ų6471%0.71136%0.355SS*.THydrogen-bonded Turntrans-72.8-11.2171.500000114.2E44 L45 L46E44-G48 PolarHBondContact O-N 3.4Å; L45-G48 PolarHBondContact O-N 3.11Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 3.42Å
49Q86.5Confident83.9Confident53 Ų5356.8 Ų56.825%0.24832%0.32CS..THydrogen-bonded Turntrans-113.525.7-175.4-69.6-171.6-1900113.2L2 L45 L46 L47 E51 S52 L53L2-Q49 HydrophobicContact CD1-CB 4.18Å; L45-Q49 WeakPolarHBondContact O-CG 3.22Å; L45-Q49 PolarHBondContact O-N 3.19Å; L46-Q49 CarbonylContact O-C 3.55Å; L46-Q49 PolarHBondContact O-N 3.47Å; L47-Q49 PolarHBondContact O-N 3.2Å; Q49-E51 VanDerWaalsContact C-N 3.29Å; Q49-E51 PolarHBondContact O-N 3.37Å; Q49-S52 WeakPolarHBondContact O-CB 3.47Å; Q49-S52 PolarHBondContact O-N 3.43Å; Q49-L53 PolarHBondContact O-N 2.96Å
50Q84.4Confident84.9Confident52 Ų5255.7 Ų55.724%0.24331%0.312CS..Hα-helixtrans-56.2-40.6-177.9-66.3-61.4-72.800112.8L46 L47 S52 L53 V54L46-Q50 PolarHBondContact O-NE2 3.5Å; L46-Q50 VanDerWaalsContact O-NE2 3.1Å; L47-Q50 WeakPolarHBondContact O-CG 3.5Å; Q50-S52 VanDerWaalsContact C-N 3.33Å; Q50-S52 PolarHBondContact O-N 3.14Å; Q50-L53 WeakPolarHBondContact O-CB 3.36Å; Q50-L53 PolarHBondContact O-N 3.12Å; Q50-L53 VanDerWaalsContact O-N 3.13Å; Q50-V54 WeakPolarHBondContact O-CG2 3.25Å; Q50-V54 PolarHBondContact O-N 3.1Å
51E87.5Confident85.9Confident175 Ų17550.4 Ų50.482%0.81828%0.278SS*.Hα-helixtrans-62.3-39.9176.9-66.5-179.2173.600112.5Q49 L53 C55Q49-E51 VanDerWaalsContact C-N 3.29Å; Q49-E51 PolarHBondContact O-N 3.37Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-C55 WeakPolarHBondContact O-CB 3.2Å; E51-C55 PolarHBondContact O-N 3.29Å
52S90.7Very high86.7Confident44 Ų4456.1 Ų56.131%0.30830%0.297SS..Hα-helixtrans-68.7-36.1174.7-60.40000111.4I6 Q49 Q50 M56I6-S52 WeakPolarHBondContact CD1-O 3.23Å; Q49-S52 WeakPolarHBondContact O-CB 3.47Å; Q49-S52 PolarHBondContact O-N 3.43Å; Q50-S52 VanDerWaalsContact C-N 3.33Å; Q50-S52 PolarHBondContact O-N 3.14Å; S52-M56 VanDerWaalsContact O-CB 3.3Å; S52-M56 WeakPolarHBondContact O-CB 3.33Å; S52-M56 PolarHBondContact O-N 3.27Å
53L89.3Confident87.4Confident2 Ų252.8 Ų52.81%0.0128%0.275CS..Hα-helixtrans-63.8-47.3175.3-179.958.8000110.9L2 Q49 Q50 E51 C55 M56 L57 I85 L95L2-L53 HydrophobicContact CD1-CB 4.21Å; Q49-L53 PolarHBondContact O-N 2.96Å; Q50-L53 WeakPolarHBondContact O-CB 3.36Å; Q50-L53 PolarHBondContact O-N 3.12Å; Q50-L53 VanDerWaalsContact O-N 3.13Å; E51-L53 VanDerWaalsContact C-N 3.34Å; L53-C55 PolarHBondContact O-N 3.03Å; L53-M56 HydrophobicContact CD1-CE 3.57Å; L53-M56 HydrophobicContact CD1-SD 4.45Å; L53-M56 WeakPolarHBondContact O-CB 3.39Å; L53-M56 PolarHBondContact O-N 3.32Å; L53-L57 HydrophobicContact CD1-CD1 4.42Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.17Å; L53-L57 VanDerWaalsContact O-CG 3.24Å; L53-L57 WeakPolarHBondContact O-CG 3.47Å; L53-L57 PolarHBondContact O-N 3.37Å; L53-I85 HydrophobicContact CD1-CD1 3.83Å; L53-I85 HydrophobicContact CD2-CG2 4.35Å; L53-L95 HydrophobicContact CB-CD2 4.49Å; L53-L95 HydrophobicContact CD2-CD2 3.96Å; L53-L95 HydrophobicContact CG-CD2 4.18Å
54V90.6Very high87.8Confident34 Ų3449 Ų4921%0.20626%0.259CS..Hα-helixtrans-54.5-54.2173.5168.50000111Q50 M56 L57 D58 L95 H99Q50-V54 WeakPolarHBondContact O-CG2 3.25Å; Q50-V54 PolarHBondContact O-N 3.1Å; V54-M56 PolarHBondContact O-N 3.45Å; V54-L57 WeakPolarHBondContact O-CB 3.4Å; V54-L57 PolarHBondContact O-N 3.39Å; V54-D58 PolarHBondContact O-N 2.81Å; V54-L95 HydrophobicContact CG2-CD1 3.62Å; V54-L95 HydrophobicContact CG2-CD2 3.69Å; V54-L95 HydrophobicContact CG2-CG 3.98Å; V54-H99 WeakPolarHBondContact CG1-NE2 3.46Å
55C92.6Very high88.1Confident46 Ų4647.7 Ų47.731%0.31125%0.253SS..Hα-helixtrans-56.5-39.4-179.6-176.70000112.4I6 E51 L53 K59I6-C55 HydrophobicContact CD1-CB 4.4Å; E51-C55 WeakPolarHBondContact O-CB 3.2Å; E51-C55 PolarHBondContact O-N 3.29Å; L53-C55 PolarHBondContact O-N 3.03Å; C55-K59 WeakPolarHBondContact O-CD 3.39Å; C55-K59 VanDerWaalsContact O-CG 3.28Å; C55-K59 WeakPolarHBondContact O-CG 3.38Å; C55-K59 PolarHBondContact O-N 3.16Å; C55-K59 WeakPolarHBondContact SG-CE 3.41Å
56M93.4Very high88.2Confident0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-68.2-42.6175.5-178.3-151.27800112.2L2 L5 I6 L9 S52 L53 V54 K59 M60 F81 I85L2-M56 HydrophobicContact CD2-SD 3.89Å; L5-M56 HydrophobicContact CD2-CG 4.06Å; L5-M56 HydrophobicContact CD2-SD 3.56Å; L5-M56 VanDerWaalsContact CD2-SD 3.56Å; L5-M56 HydrophobicContact CG-CG 4.25Å; L5-M56 HydrophobicContact CG-SD 4.36Å; I6-M56 HydrophobicContact CD1-CB 4.38Å; I6-M56 HydrophobicContact CG1-CB 3.87Å; I6-M56 HydrophobicContact CG1-CG 4.44Å; L9-M56 HydrophobicContact CD1-CG 3.74Å; S52-M56 VanDerWaalsContact O-CB 3.3Å; S52-M56 WeakPolarHBondContact O-CB 3.33Å; S52-M56 PolarHBondContact O-N 3.27Å; L53-M56 HydrophobicContact CD1-CE 3.57Å; L53-M56 HydrophobicContact CD1-SD 4.45Å; L53-M56 WeakPolarHBondContact O-CB 3.39Å; L53-M56 PolarHBondContact O-N 3.32Å; V54-M56 PolarHBondContact O-N 3.45Å; M56-K59 PolarHBondContact O-N 3.04Å; M56-M60 HydrophobicContact CE-CE 4.14Å; M56-M60 WeakPolarHBondContact O-CB 3.3Å; M56-M60 PolarHBondContact O-N 2.88Å; M56-F81 HydrophobicContact CE-CD1 4.31Å; M56-F81 HydrophobicContact CE-CE1 3.74Å; M56-F81 HydrophobicContact SD-CD1 4.48Å; M56-F81 HydrophobicContact SD-CE1 3.56Å; M56-F81 VanDerWaalsContact SD-CE1 3.56Å; M56-F81 HydrophobicContact SD-CZ 4.29Å; M56-I85 HydrophobicContact CE-CD1 4.32Å
57L91.7Very high88.2Confident0 Ų049.3 Ų49.30%026%0.259CS..Hα-helixtrans-62-46.4176.8-66.2166.5000111L53 V54 K59 M60 N61 I82 L96 H99 M100L53-L57 HydrophobicContact CD1-CD1 4.42Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.17Å; L53-L57 VanDerWaalsContact O-CG 3.24Å; L53-L57 WeakPolarHBondContact O-CG 3.47Å; L53-L57 PolarHBondContact O-N 3.37Å; V54-L57 WeakPolarHBondContact O-CB 3.4Å; V54-L57 PolarHBondContact O-N 3.39Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.34Å; L57-M60 HydrophobicContact CD2-CE 3.61Å; L57-M60 PolarHBondContact O-N 3.23Å; L57-N61 WeakPolarHBondContact O-CB 3.39Å; L57-N61 PolarHBondContact O-N 3.08Å; L57-N61 PolarHBondContact O-ND2 3.3Å; L57-I82 HydrophobicContact CD2-CG1 4.37Å; L57-L96 HydrophobicContact CD1-CD2 3.67Å; L57-L96 HydrophobicContact CD2-CD2 3.68Å; L57-L96 HydrophobicContact CG-CD2 4.26Å; L57-H99 HydrophobicContact CB-CB 4.03Å; L57-H99 HydrophobicContact CD1-CB 3.97Å; L57-M100 HydrophobicContact CD2-SD 4.04Å
58D91.6Very high88.3Confident74 Ų7451.4 Ų51.440%0.39629%0.286SS..Hα-helixtrans-58.8-45178.8-69.9-23.6000111.9V54 N61 R62 H99V54-D58 PolarHBondContact O-N 2.81Å; D58-N61 PolarHBondContact O-N 2.68Å; D58-R62 WeakPolarHBondContact O-CG 3.48Å; D58-R62 PolarHBondContact O-N 3.07Å; D58-H99 IonicContact OD1-CD2 3.2Å; D58-H99 PolarHBondContact OD1-CD2 3.32Å
59K92Very high88.2Confident36 Ų3652.6 Ų52.616%0.15727%0.272CS..Hα-helixtrans-67.2-41.4177.7-69.9167.6-165.8-90.30111.8I6 L9 D10 L13 C55 M56 L57 R62 L63I6-K59 HydrophobicContact CG2-CD 3.84Å; L9-K59 HydrophobicContact CB-CB 4.01Å; L9-K59 HydrophobicContact CB-CD 4.48Å; L9-K59 HydrophobicContact CD1-CB 4.12Å; D10-K59 IonicContact OD1-NZ 3.83Å; D10-K59 PolarHBondContact OD1-NZ 2.95Å; D10-K59 IonicContact OD2-NZ 3.26Å; D10-K59 PolarHBondContact OD2-NZ 2.99Å; L13-K59 HydrophobicContact CD1-CB 3.87Å; L13-K59 HydrophobicContact CD1-CG 4.08Å; C55-K59 WeakPolarHBondContact O-CD 3.39Å; C55-K59 VanDerWaalsContact O-CG 3.28Å; C55-K59 WeakPolarHBondContact O-CG 3.38Å; C55-K59 PolarHBondContact O-N 3.16Å; C55-K59 WeakPolarHBondContact SG-CE 3.41Å; M56-K59 PolarHBondContact O-N 3.04Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.34Å; K59-R62 PolarHBondContact O-N 2.96Å; K59-L63 PolarHBondContact O-N 3.31Å
60M90.7Very high88Confident1 Ų150.1 Ų50.11%0.00526%0.261CS..Hα-helixtrans-65.3-41177.2-176.4171.453.600111.5L9 M28 M56 L57 L63 L64 A78 I82 M100L9-M60 HydrophobicContact CD1-CB 4.38Å; L9-M60 HydrophobicContact CD2-CB 4.4Å; M28-M60 HydrophobicContact CE-CG 4.18Å; M28-M60 HydrophobicContact CE-SD 3.66Å; M56-M60 HydrophobicContact CE-CE 4.14Å; M56-M60 WeakPolarHBondContact O-CB 3.3Å; M56-M60 PolarHBondContact O-N 2.88Å; L57-M60 HydrophobicContact CD2-CE 3.61Å; L57-M60 PolarHBondContact O-N 3.23Å; M60-L63 WeakPolarHBondContact O-CB 3.17Å; M60-L63 PolarHBondContact O-N 3.42Å; M60-L64 HydrophobicContact CG-CD1 4.04Å; M60-L64 HydrophobicContact CG-CG 4.38Å; M60-L64 WeakPolarHBondContact O-CB 3.04Å; M60-L64 VanDerWaalsContact O-CG 3.23Å; M60-L64 WeakPolarHBondContact O-CG 3.46Å; M60-L64 PolarHBondContact O-N 3.02Å; M60-A78 HydrophobicContact CG-CB 3.94Å; M60-A78 HydrophobicContact SD-CB 3.5Å; M60-A78 VanDerWaalsContact SD-CB 3.5Å; M60-I82 HydrophobicContact CE-CD1 3.4Å; M60-I82 HydrophobicContact CE-CG1 3.41Å; M60-I82 VanDerWaalsContact CE-CG1 3.41Å; M60-I82 HydrophobicContact SD-CD1 4.05Å; M60-I82 HydrophobicContact SD-CG1 4.17Å; M60-M100 HydrophobicContact CE-SD 4.32Å
61N89.8Confident88.1Confident7 Ų752.4 Ų52.44%0.03727%0.27CS..Hα-helixtrans-62.1-46.3175.8-74.1-19000111.7L57 D58 L63 L64 E65 H99 M100 S103L57-N61 WeakPolarHBondContact O-CB 3.39Å; L57-N61 PolarHBondContact O-N 3.08Å; L57-N61 PolarHBondContact O-ND2 3.3Å; D58-N61 PolarHBondContact O-N 2.68Å; N61-L63 PolarHBondContact O-N 3.22Å; N61-L64 CarbonylContact O-C 3.3Å; N61-L64 PolarHBondContact O-N 3.01Å; N61-L64 VanDerWaalsContact O-N 3.08Å; N61-E65 WeakPolarHBondContact O-CG 3.49Å; N61-E65 PolarHBondContact O-N 2.81Å; N61-H99 PolarHBondContact ND2-O 3.08Å; N61-M100 VanDerWaalsContact OD1-CE 3.28Å; N61-M100 WeakPolarHBondContact OD1-CE 3.19Å; N61-M100 PolarHBondContact OD1-SD 3.22Å; N61-S103 WeakPolarHBondContact CB-OG 3.46Å; N61-S103 PolarHBondContact OD1-OG 3.13Å
62R89.9Confident88.3Confident149 Ų14944.7 Ų44.756%0.56224%0.237SC*.Hα-helixtrans-57-39.8173.8-72.8176.463.9-166.8-4.3111.9L13 D58 K59 M66L13-R62 HydrophobicContact CD1-CB 4.48Å; L13-R62 HydrophobicContact CD2-CB 3.9Å; D58-R62 WeakPolarHBondContact O-CG 3.48Å; D58-R62 PolarHBondContact O-N 3.07Å; K59-R62 PolarHBondContact O-N 2.96Å; R62-M66 WeakPolarHBondContact O-CG 3.37Å
63L89Confident88.4Confident3 Ų346 Ų462%0.01624%0.244CC..Hα-helixtrans-67.2-44.1175.8-172.367000110.9L9 A12 L13 L21 K59 M60 N61 E65 M66 C70L9-L63 HydrophobicContact CD2-CD2 3.99Å; A12-L63 HydrophobicContact CB-CD1 4.36Å; A12-L63 HydrophobicContact CB-CD2 4.48Å; L13-L63 HydrophobicContact CD2-CB 4.01Å; L13-L63 HydrophobicContact CD2-CD1 4.25Å; L21-L63 HydrophobicContact CD2-CD1 4.16Å; L21-L63 HydrophobicContact CD2-CD2 4.12Å; K59-L63 PolarHBondContact O-N 3.31Å; M60-L63 WeakPolarHBondContact O-CB 3.17Å; M60-L63 PolarHBondContact O-N 3.42Å; N61-L63 PolarHBondContact O-N 3.22Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-E65 PolarHBondContact O-N 3.29Å; L63-M66 PolarHBondContact O-N 2.89Å; L63-M66 VanDerWaalsContact O-N 3.15Å; L63-C70 HydrophobicContact CG-CB 4.37Å; L63-C70 WeakPolarHBondContact O-CB 3.48Å
64L88.4Confident88.6Confident4 Ų446 Ų462%0.02124%0.244CC..Hα-helixtrans-65.3-31.2178.1-68.6170.7000112.7M60 N61 M66 A75 A78 M100 L107 W110M60-L64 HydrophobicContact CG-CD1 4.04Å; M60-L64 HydrophobicContact CG-CG 4.38Å; M60-L64 WeakPolarHBondContact O-CB 3.04Å; M60-L64 VanDerWaalsContact O-CG 3.23Å; M60-L64 WeakPolarHBondContact O-CG 3.46Å; M60-L64 PolarHBondContact O-N 3.02Å; N61-L64 CarbonylContact O-C 3.3Å; N61-L64 PolarHBondContact O-N 3.01Å; N61-L64 VanDerWaalsContact O-N 3.08Å; L64-M66 PolarHBondContact O-N 2.96Å; L64-A75 HydrophobicContact CD2-CB 3.66Å; L64-A78 HydrophobicContact CD1-CB 4.46Å; L64-A78 HydrophobicContact CD2-CB 4.24Å; L64-M100 HydrophobicContact CD1-CE 4.23Å; L64-L107 HydrophobicContact CD1-CD2 4.3Å; L64-L107 HydrophobicContact CD2-CD2 4.15Å; L64-W110 HydrophobicContact CB-CH2 4.42Å; L64-W110 HydrophobicContact CB-CZ3 4.31Å; L64-W110 HydrophobicContact CD2-CH2 4.19Å; L64-W110 HydrophobicContact CD2-CZ3 4.4Å; L64-W110 WeakPolarHBondContact O-CH2 3.35Å; L64-W110 WeakPolarHBondContact O-CZ3 3.49Å
65E84.8Confident88.7Confident104 Ų10444.4 Ų44.449%0.48623%0.234SC..Hα-helixtrans-65.6-23174.8-75.1170.5-175.300112.6N61 L63 E67N61-E65 WeakPolarHBondContact O-CG 3.49Å; N61-E65 PolarHBondContact O-N 2.81Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-E65 PolarHBondContact O-N 3.29Å; E65-E67 VanDerWaalsContact C-N 3.34Å; E65-E67 PolarHBondContact O-N 2.69Å
66M84.5Confident88.9Confident64 Ų6443.2 Ų43.232%0.31523%0.225SC..  trans-90.357.3179.2-59.9171.470.700111.4L13 R62 L63 L64 A68 E69 C70L13-M66 HydrophobicContact CD2-SD 4.41Å; R62-M66 WeakPolarHBondContact O-CG 3.37Å; L63-M66 PolarHBondContact O-N 2.89Å; L63-M66 VanDerWaalsContact O-N 3.15Å; L64-M66 PolarHBondContact O-N 2.96Å; M66-A68 VanDerWaalsContact C-N 3.27Å; M66-A68 PolarHBondContact O-N 3.08Å; M66-A68 VanDerWaalsContact O-N 3.08Å; M66-E69 HydrophobicContact CB-CB 4.25Å; M66-E69 HydrophobicContact CE-CG 4.3Å; M66-E69 WeakPolarHBondContact CE-OE1 3.27Å; M66-E69 WeakPolarHBondContact CE-OE2 3.27Å; M66-E69 CarbonylContact O-C 3.35Å; M66-E69 WeakPolarHBondContact O-CA 3.37Å; M66-E69 PolarHBondContact O-N 3.34Å; M66-C70 WeakPolarHBondContact O-CB 3.41Å; M66-C70 PolarHBondContact O-N 3.26Å
67E80.8Confident88.9Confident55 Ų5544.7 Ų44.726%0.25724%0.235SC..THydrogen-bonded Turntrans-48-41.8-173.2169.7173.3-168.700114.5E65 E69 W110 N111E65-E67 VanDerWaalsContact C-N 3.34Å; E65-E67 PolarHBondContact O-N 2.69Å; E67-E69 PolarHBondContact O-N 2.98Å; E67-W110 HydrophobicContact CB-CD2 4.45Å; E67-W110 HydrophobicContact CB-CH2 4.09Å; E67-W110 HydrophobicContact CB-CZ2 3.84Å; E67-W110 HydrophobicContact CB-CZ3 4.47Å; E67-W110 HydrophobicContact CG-CD2 4.09Å; E67-W110 HydrophobicContact CG-CG 4.47Å; E67-W110 HydrophobicContact CG-CZ2 3.79Å; E67-W110 PolarHBondContact OE1-NE1 3.48Å; E67-N111 WeakPolarHBondContact OE1-CB 3.41Å; E67-N111 PolarHBondContact OE1-N 3.1Å; E67-N111 PolarHBondContact OE1-ND2 3.29Å
68A81.5Confident89Confident108 Ų10844.7 Ų44.789%0.89324%0.235SC*.THydrogen-bonded Turntrans-62.8-27.3-179.300000112.9M66M66-A68 VanDerWaalsContact C-N 3.27Å; M66-A68 PolarHBondContact O-N 3.08Å; M66-A68 VanDerWaalsContact O-N 3.08Å
69E83.2Confident89.2Confident93 Ų9341.2 Ų41.244%0.43522%0.216SC..THydrogen-bonded Turntrans-100.1-42.2-177.5-53.8-171.5-162.700110.9C16 L21 M66 E67 K71C16-E69 HydrophobicContact CB-CB 4Å; C16-E69 WeakPolarHBondContact CB-OE2 3.4Å; C16-E69 VanDerWaalsContact SG-CB 3.53Å; C16-E69 PolarHBondContact SG-O 2.72Å; L21-E69 WeakPolarHBondContact CD1-O 3.39Å; M66-E69 HydrophobicContact CB-CB 4.25Å; M66-E69 HydrophobicContact CE-CG 4.3Å; M66-E69 WeakPolarHBondContact CE-OE1 3.27Å; M66-E69 WeakPolarHBondContact CE-OE2 3.27Å; M66-E69 CarbonylContact O-C 3.35Å; M66-E69 WeakPolarHBondContact O-CA 3.37Å; M66-E69 PolarHBondContact O-N 3.34Å; E67-E69 PolarHBondContact O-N 2.98Å; E69-K71 PolarHBondContact O-N 2.65Å
70C81.7Confident89.2Confident1 Ų143.2 Ų43.21%0.00723%0.226CC..SBendtrans-73.595174.5-1700000110.1L63 M66 W110L63-C70 HydrophobicContact CG-CB 4.37Å; L63-C70 WeakPolarHBondContact O-CB 3.48Å; M66-C70 WeakPolarHBondContact O-CB 3.41Å; M66-C70 PolarHBondContact O-N 3.26Å; C70-W110 HydrophobicContact CB-CH2 4.21Å; C70-W110 HydrophobicContact CB-CZ2 4.28Å; C70-W110 WeakPolarHBondContact O-CZ2 3.38Å
71K86.5Confident89.4Confident100 Ų10043.5 Ų43.544%0.43523%0.227SC..  trans-62.2146.2178.6-57.2-172.5179.6-163.40111.4N18 L21 E69 P73 C74 A75N18-K71 VanDerWaalsContact CG-NZ 3.27Å; N18-K71 WeakPolarHBondContact OD1-CE 3.43Å; N18-K71 PolarHBondContact OD1-NZ 3.12Å; L21-K71 HydrophobicContact CD1-CB 4.48Å; L21-K71 HydrophobicContact CD1-CD 4.26Å; L21-K71 HydrophobicContact CD1-CG 3.93Å; E69-K71 PolarHBondContact O-N 2.65Å; K71-P73 VanDerWaalsContact C-N 3.32Å; K71-P73 VanDerWaalsContact O-N 3.1Å; K71-C74 WeakPolarHBondContact O-CB 3.25Å; K71-C74 PolarHBondContact O-N 3.05Å; K71-A75 PolarHBondContact O-N 3.31Å
72A91.6Very high89.5Confident14 Ų1443.1 Ų43.112%0.11623%0.226CC..Hα-helixtrans-48.1-40.3179.300000115.2C74 A75 L76 D112 V115A72-C74 VanDerWaalsContact C-N 3.29Å; A72-C74 PolarHBondContact O-N 3.01Å; A72-A75 PolarHBondContact O-N 3.1Å; A72-L76 WeakPolarHBondContact O-CB 3.43Å; A72-L76 VanDerWaalsContact O-CG 3.26Å; A72-L76 WeakPolarHBondContact O-CG 3.33Å; A72-L76 PolarHBondContact O-N 3.5Å; A72-D112 HydrophobicContact CB-CB 3.88Å; A72-D112 VanDerWaalsContact CB-OD2 3.24Å; A72-D112 WeakPolarHBondContact CB-OD2 3.15Å; A72-V115 HydrophobicContact CB-CG2 3.91Å
73P92.3Very high89.6Confident70 Ų7036 Ų3646%0.45520%0.199SC..Hα-helixtrans-60.1-35.9175.7-25.336.1000114.1I25 K71 C77I25-P73 HydrophobicContact CD1-CB 4.23Å; K71-P73 VanDerWaalsContact C-N 3.32Å; K71-P73 VanDerWaalsContact O-N 3.1Å; P73-C77 WeakPolarHBondContact O-CB 3Å; P73-C77 PolarHBondContact O-N 3.29Å; P73-C77 VanDerWaalsContact O-N 3.09Å; P73-C77 PolarHBondContact O-SG 3.37Å
74C93.6Very high89.8Confident3 Ų340.7 Ų40.72%0.0222%0.216CC..Hα-helixtrans-68.6-47176.5-169.40000110.2L21 I25 K71 A72 L76 C77 A78L21-C74 HydrophobicContact CD2-CB 4.41Å; I25-C74 HydrophobicContact CD1-CB 4.09Å; I25-C74 HydrophobicContact CG1-CB 4.16Å; K71-C74 WeakPolarHBondContact O-CB 3.25Å; K71-C74 PolarHBondContact O-N 3.05Å; A72-C74 VanDerWaalsContact C-N 3.29Å; A72-C74 PolarHBondContact O-N 3.01Å; C74-L76 PolarHBondContact O-N 3.11Å; C74-C77 PolarHBondContact O-N 2.62Å; C74-A78 WeakPolarHBondContact O-CB 3.47Å; C74-A78 PolarHBondContact O-N 3.26Å
75A93.6Very high89.9Confident0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-59.6-43.7176.700000112.6L64 K71 A72 A78 I79 W110 V115L64-A75 HydrophobicContact CD2-CB 3.66Å; K71-A75 PolarHBondContact O-N 3.31Å; A72-A75 PolarHBondContact O-N 3.1Å; A75-A78 WeakPolarHBondContact O-CB 3.25Å; A75-A78 PolarHBondContact O-N 3.11Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.46Å; A75-I79 PolarHBondContact O-N 3.39Å; A75-W110 HydrophobicContact CB-CH2 4.11Å; A75-W110 HydrophobicContact CB-CZ2 3.98Å; A75-V115 HydrophobicContact CB-CG1 4.05Å; A75-V115 HydrophobicContact CB-CG2 4.17Å
76L95.5Very high90.2Very high22 Ų2235.8 Ų35.812%0.11519%0.194CC..Hα-helixtrans-60.8-46.2175.6-70.8169.4000111.8A72 C74 A78 I79 E80 R114 V115 H118A72-L76 WeakPolarHBondContact O-CB 3.43Å; A72-L76 VanDerWaalsContact O-CG 3.26Å; A72-L76 WeakPolarHBondContact O-CG 3.33Å; A72-L76 PolarHBondContact O-N 3.5Å; C74-L76 PolarHBondContact O-N 3.11Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 2.98Å; L76-E80 WeakPolarHBondContact O-CG 3.47Å; L76-E80 PolarHBondContact O-N 3.39Å; L76-R114 HydrophobicContact CD1-CB 4.32Å; L76-R114 HydrophobicContact CD2-CB 4.14Å; L76-V115 HydrophobicContact CD2-CG2 4.14Å; L76-V115 HydrophobicContact CG-CG2 4.05Å; L76-H118 HydrophobicContact CD2-CB 3.94Å; L76-H118 WeakPolarHBondContact CD2-ND1 3.39Å
77C94.7Very high90.5Very high30 Ų3038.1 Ų38.120%0.20320%0.202CC..Hα-helixtrans-63.1-40177.5-69.60000111.9I25 M28 P73 C74 E80 F81I25-C77 HydrophobicContact CG1-CB 4.32Å; I25-C77 HydrophobicContact CG2-CB 4.47Å; M28-C77 HydrophobicContact SD-CB 4.28Å; P73-C77 WeakPolarHBondContact O-CB 3Å; P73-C77 PolarHBondContact O-N 3.29Å; P73-C77 VanDerWaalsContact O-N 3.09Å; P73-C77 PolarHBondContact O-SG 3.37Å; C74-C77 PolarHBondContact O-N 2.62Å; C77-E80 PolarHBondContact O-N 2.7Å; C77-F81 WeakPolarHBondContact O-CB 3.38Å; C77-F81 PolarHBondContact O-N 2.87Å
78A93.9Very high90.9Very high1 Ų136.5 Ų36.51%0.00819%0.194CC..Hα-helixtrans-59-50.8174.600000111.3M28 M60 L64 C74 A75 L76 E80 F81 I82M28-A78 HydrophobicContact CE-CB 3.98Å; M28-A78 HydrophobicContact SD-CB 4.13Å; M60-A78 HydrophobicContact CG-CB 3.94Å; M60-A78 HydrophobicContact SD-CB 3.5Å; M60-A78 VanDerWaalsContact SD-CB 3.5Å; L64-A78 HydrophobicContact CD1-CB 4.46Å; L64-A78 HydrophobicContact CD2-CB 4.24Å; C74-A78 WeakPolarHBondContact O-CB 3.47Å; C74-A78 PolarHBondContact O-N 3.26Å; A75-A78 WeakPolarHBondContact O-CB 3.25Å; A75-A78 PolarHBondContact O-N 3.11Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.91Å; A78-E80 PolarHBondContact O-N 2.84Å; A78-F81 WeakPolarHBondContact O-CB 3.27Å; A78-F81 PolarHBondContact O-N 3.38Å; A78-I82 WeakPolarHBondContact O-CD1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.43Å; A78-I82 PolarHBondContact O-N 3.45Å
79I94.9Very high91.2Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-60.1-47.3178.7-66.2166.2000111.3A75 L76 F81 I82 A83 L107 V115 H118 L122A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.46Å; A75-I79 PolarHBondContact O-N 3.39Å; L76-I79 PolarHBondContact O-N 2.98Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 2.86Å; I79-I82 PolarHBondContact O-N 3.33Å; I79-A83 WeakPolarHBondContact O-CB 3.4Å; I79-A83 PolarHBondContact O-N 3.23Å; I79-L107 HydrophobicContact CD1-CD2 4.11Å; I79-L107 HydrophobicContact CG1-CD1 4.39Å; I79-L107 HydrophobicContact CG1-CD2 4.47Å; I79-V115 HydrophobicContact CD1-CG1 3.86Å; I79-H118 HydrophobicContact CB-CB 4.44Å; I79-H118 HydrophobicContact CD1-CB 4.09Å; I79-H118 HydrophobicContact CG2-CB 3.86Å; I79-H118 VanDerWaalsContact CG2-O 3.32Å; I79-H118 WeakPolarHBondContact CG2-O 3.48Å; I79-L122 HydrophobicContact CG2-CB 3.65Å; I79-L122 HydrophobicContact CG2-CD2 3.96Å; I79-L122 HydrophobicContact CG2-CG 4.4Å
80E93.4Very high91.5Very high79 Ų7930.5 Ų30.537%0.36915%0.154SC..Hα-helixtrans-60.9-41.1177.2-76.7-173.2-167.100112.4L76 C77 A78 A83 R84L76-E80 WeakPolarHBondContact O-CG 3.47Å; L76-E80 PolarHBondContact O-N 3.39Å; C77-E80 PolarHBondContact O-N 2.7Å; A78-E80 PolarHBondContact O-N 2.84Å; E80-A83 PolarHBondContact O-N 3.27Å; E80-R84 WeakPolarHBondContact O-CB 3.34Å; E80-R84 PolarHBondContact O-N 3.01Å
81F93.2Very high91.8Very high6 Ų636.3 Ų36.33%0.02618%0.181CC..Hα-helixtrans-63.6-47.8179-178.3-104.1000111.4L2 L5 M28 V31 I35 M56 C77 A78 I79 A83 R84 I85L2-F81 HydrophobicContact CD2-CZ 4.49Å; L5-F81 HydrophobicContact CD2-CD1 4.5Å; L5-F81 HydrophobicContact CD2-CE1 3.8Å; L5-F81 HydrophobicContact CD2-CZ 3.87Å; M28-F81 HydrophobicContact CB-CB 4.41Å; M28-F81 HydrophobicContact CB-CD2 4.27Å; M28-F81 HydrophobicContact CB-CG 4.3Å; M28-F81 HydrophobicContact CG-CG 4.35Å; M28-F81 WeakPolarHBondContact O-CD2 3.42Å; V31-F81 HydrophobicContact CB-CE2 3.87Å; V31-F81 HydrophobicContact CB-CZ 4.17Å; V31-F81 HydrophobicContact CG1-CE2 3.61Å; V31-F81 HydrophobicContact CG1-CZ 3.61Å; I35-F81 HydrophobicContact CD1-CE2 4.16Å; I35-F81 HydrophobicContact CD1-CZ 4.25Å; M56-F81 HydrophobicContact CE-CD1 4.31Å; M56-F81 HydrophobicContact CE-CE1 3.74Å; M56-F81 HydrophobicContact SD-CD1 4.48Å; M56-F81 HydrophobicContact SD-CE1 3.56Å; M56-F81 VanDerWaalsContact SD-CE1 3.56Å; M56-F81 HydrophobicContact SD-CZ 4.29Å; C77-F81 WeakPolarHBondContact O-CB 3.38Å; C77-F81 PolarHBondContact O-N 2.87Å; A78-F81 WeakPolarHBondContact O-CB 3.27Å; A78-F81 PolarHBondContact O-N 3.38Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 2.86Å; F81-A83 PolarHBondContact O-N 3.2Å; F81-R84 WeakPolarHBondContact O-CB 3.34Å; F81-R84 PolarHBondContact O-N 3.35Å; F81-I85 HydrophobicContact CD1-CD1 3.94Å; F81-I85 HydrophobicContact CE1-CD1 3.4Å; F81-I85 VanDerWaalsContact CE1-CD1 3.4Å; F81-I85 HydrophobicContact CE1-CG1 4.36Å; F81-I85 HydrophobicContact CZ-CD1 3.77Å; F81-I85 HydrophobicContact CZ-CG1 4.41Å; F81-I85 WeakPolarHBondContact O-CG1 3.3Å; F81-I85 PolarHBondContact O-N 3.41Å
82I93Very high92Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-59.8-48.2175.8-62.3157.5000110.7L57 M60 A78 I79 R84 I85 A86 L96 M100 L122L57-I82 HydrophobicContact CD2-CG1 4.37Å; M60-I82 HydrophobicContact CE-CD1 3.4Å; M60-I82 HydrophobicContact CE-CG1 3.41Å; M60-I82 VanDerWaalsContact CE-CG1 3.41Å; M60-I82 HydrophobicContact SD-CD1 4.05Å; M60-I82 HydrophobicContact SD-CG1 4.17Å; A78-I82 WeakPolarHBondContact O-CD1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.43Å; A78-I82 PolarHBondContact O-N 3.45Å; I79-I82 PolarHBondContact O-N 3.33Å; I82-R84 PolarHBondContact O-N 2.85Å; I82-I85 WeakPolarHBondContact O-CB 3.5Å; I82-I85 PolarHBondContact O-N 3.15Å; I82-I85 VanDerWaalsContact O-N 3.13Å; I82-A86 PolarHBondContact O-N 2.92Å; I82-L96 HydrophobicContact CG2-CD1 4.11Å; I82-L96 HydrophobicContact CG2-CD2 4.15Å; I82-M100 HydrophobicContact CD1-CE 3.52Å; I82-M100 HydrophobicContact CD1-CG 4.48Å; I82-M100 HydrophobicContact CD1-SD 3.59Å; I82-M100 VanDerWaalsContact CD1-SD 3.59Å; I82-M100 HydrophobicContact CG1-SD 4.46Å; I82-L122 HydrophobicContact CB-CD1 4.22Å; I82-L122 HydrophobicContact CB-CD2 4.24Å; I82-L122 HydrophobicContact CD1-CD2 4.17Å; I82-L122 HydrophobicContact CG2-CD1 3.72Å; I82-L122 HydrophobicContact CG2-CD2 4.05Å
83A92.5Very high92Very high0 Ų031.7 Ų31.70%016%0.16CC..Hα-helixtrans-62.6-32-179.500000111.9I79 E80 F81 K87 W121 L122I79-A83 WeakPolarHBondContact O-CB 3.4Å; I79-A83 PolarHBondContact O-N 3.23Å; E80-A83 PolarHBondContact O-N 3.27Å; F81-A83 PolarHBondContact O-N 3.2Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 VanDerWaalsContact O-CG 3.29Å; A83-K87 WeakPolarHBondContact O-CG 3.32Å; A83-K87 PolarHBondContact O-N 3.4Å; A83-W121 HydrophobicContact CB-CE3 3.92Å; A83-W121 HydrophobicContact CB-CH2 3.4Å; A83-W121 VanDerWaalsContact CB-CH2 3.4Å; A83-W121 HydrophobicContact CB-CZ2 4.45Å; A83-W121 HydrophobicContact CB-CZ3 3.07Å; A83-L122 HydrophobicContact CB-CD1 3.84Å
84R91.4Very high91.8Very high100 Ų10031.8 Ų31.838%0.37715%0.154SC..Hα-helixtrans-69-42.7174.6-165.7174-62.7-176.21.9111.7G32 I35 E80 F81 I82 K87 F88G32-R84 VanDerWaalsContact C-NH1 3.3Å; G32-R84 WeakPolarHBondContact O-CD 3.46Å; G32-R84 PolarHBondContact O-NH1 3.31Å; I35-R84 HydrophobicContact CG2-CG 4.19Å; I35-R84 WeakPolarHBondContact O-CD 3.5Å; I35-R84 WeakPolarHBondContact O-CG 3.3Å; E80-R84 WeakPolarHBondContact O-CB 3.34Å; E80-R84 PolarHBondContact O-N 3.01Å; F81-R84 WeakPolarHBondContact O-CB 3.34Å; F81-R84 PolarHBondContact O-N 3.35Å; I82-R84 PolarHBondContact O-N 2.85Å; R84-K87 PolarHBondContact O-N 3.13Å; R84-F88 WeakPolarHBondContact O-CB 3.17Å; R84-F88 PolarHBondContact O-N 2.57Å
85I91.3Very high91.6Very high1 Ų133.1 Ų33.11%0.00516%0.161CC..Hα-helixtrans-58.4-51.4172.2-66.2172.6000109.8I35 L53 M56 F81 I82 K87 F88 V89 L96I35-I85 HydrophobicContact CD1-CG1 3.95Å; L53-I85 HydrophobicContact CD1-CD1 3.83Å; L53-I85 HydrophobicContact CD2-CG2 4.35Å; M56-I85 HydrophobicContact CE-CD1 4.32Å; F81-I85 HydrophobicContact CD1-CD1 3.94Å; F81-I85 HydrophobicContact CE1-CD1 3.4Å; F81-I85 VanDerWaalsContact CE1-CD1 3.4Å; F81-I85 HydrophobicContact CE1-CG1 4.36Å; F81-I85 HydrophobicContact CZ-CD1 3.77Å; F81-I85 HydrophobicContact CZ-CG1 4.41Å; F81-I85 WeakPolarHBondContact O-CG1 3.3Å; F81-I85 PolarHBondContact O-N 3.41Å; I82-I85 WeakPolarHBondContact O-CB 3.5Å; I82-I85 PolarHBondContact O-N 3.15Å; I82-I85 VanDerWaalsContact O-N 3.13Å; I85-K87 VanDerWaalsContact C-N 3.26Å; I85-K87 PolarHBondContact O-N 2.79Å; I85-F88 PolarHBondContact O-N 3.36Å; I85-F88 VanDerWaalsContact O-N 3.08Å; I85-V89 PolarHBondContact O-N 3.42Å; I85-L96 HydrophobicContact CB-CD1 4.46Å; I85-L96 HydrophobicContact CG2-CD1 4.14Å
86A91.9Very high91.5Very high4 Ų433.1 Ų33.13%0.03316%0.161CC..Hα-helixtrans-54.5-40.7179.700000113I82 V93 L96 T125 I126I82-A86 PolarHBondContact O-N 2.92Å; A86-V93 HydrophobicContact CB-CG2 4Å; A86-L96 HydrophobicContact CB-CD1 3.65Å; A86-T125 HydrophobicContact CB-CG2 3.94Å; A86-I126 HydrophobicContact CB-CG2 3.82Å
87K90Very high91.2Very high113 Ų11333.5 Ų33.549%0.49116%0.161SC..Hα-helixtrans-73.9-35.7178.4-74170.9-177.3171.90113A83 R84 I85 T125A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 VanDerWaalsContact O-CG 3.29Å; A83-K87 WeakPolarHBondContact O-CG 3.32Å; A83-K87 PolarHBondContact O-N 3.4Å; R84-K87 PolarHBondContact O-N 3.13Å; I85-K87 VanDerWaalsContact C-N 3.26Å; I85-K87 PolarHBondContact O-N 2.79Å; K87-T125 HydrophobicContact CD-CG2 4.35Å; K87-T125 HydrophobicContact CG-CG2 3.78Å
88F88.9Confident90.8Very high22 Ų2236.8 Ų36.810%0.09617%0.173CC..Hα-helixtrans-81.3-39.2-176.3-174.2-115.1000112.6I35 G36 K43 L46 R84 I85 P90I35-F88 HydrophobicContact CB-CD1 4.5Å; I35-F88 HydrophobicContact CG2-CB 3.61Å; I35-F88 HydrophobicContact CG2-CD1 3.6Å; I35-F88 HydrophobicContact CG2-CG 3.78Å; G36-F88 WeakPolarHBondContact O-CD2 3.3Å; G36-F88 WeakPolarHBondContact O-CE2 3.43Å; K43-F88 WeakPolarHBondContact CD-O 3.49Å; K43-F88 WeakPolarHBondContact CE-O 3.19Å; K43-F88 HydrophobicContact CG-CD1 4.48Å; K43-F88 HydrophobicContact CG-CE1 3.97Å; K43-F88 HydrophobicContact CG-CE2 4.33Å; K43-F88 HydrophobicContact CG-CZ 3.89Å; K43-F88 PolarHBondContact NZ-O 3.33Å; L46-F88 HydrophobicContact CD1-CD1 3.89Å; L46-F88 HydrophobicContact CD1-CE1 4.13Å; R84-F88 WeakPolarHBondContact O-CB 3.17Å; R84-F88 PolarHBondContact O-N 2.57Å; I85-F88 PolarHBondContact O-N 3.36Å; I85-F88 VanDerWaalsContact O-N 3.08Å; F88-P90 WeakPolarHBondContact O-CD 3.49Å
89V88.9Confident90.5Very high1 Ų138.8 Ų38.81%0.00618%0.183CC..  trans-121.979.9-179.1-168.20000109.3L46 L47 I85 E91 S92L46-V89 HydrophobicContact CB-CG2 4.07Å; L46-V89 HydrophobicContact CD1-CG2 3.72Å; L47-V89 HydrophobicContact CD2-CG1 3.55Å; L47-V89 HydrophobicContact CG-CG1 3.87Å; I85-V89 PolarHBondContact O-N 3.42Å; V89-E91 PolarHBondContact O-N 3.25Å; V89-E91 VanDerWaalsContact O-N 3.09Å; V89-S92 PolarHBondContact O-N 3.24Å; V89-S92 PolarHBondContact O-OG 3.37Å
90P88Confident90.1Very high73 Ų7338.8 Ų38.847%0.47418%0.183SC..G310 helixtrans-54.7-29179.8-27.236000114F88 S92 V93F88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-S92 PolarHBondContact O-N 2.9Å; P90-V93 VanDerWaalsContact O-CB 3.29Å; P90-V93 WeakPolarHBondContact O-CB 3.49Å; P90-V93 VanDerWaalsContact O-CG2 3.23Å; P90-V93 WeakPolarHBondContact O-CG2 3.47Å; P90-V93 PolarHBondContact O-N 3.5Å; P90-V93 VanDerWaalsContact O-N 3.17Å
91E89.2Confident89.6Confident123 Ų12336 Ų3658%0.57517%0.17SC*.G310 helixtrans-67-23.9178.8-59.283.5174.100112.8L47 V89 V93L47-E91 HydrophobicContact CD2-CB 3.91Å; V89-E91 PolarHBondContact O-N 3.25Å; V89-E91 VanDerWaalsContact O-N 3.09Å; E91-V93 VanDerWaalsContact C-N 3.3Å
92S89.5Confident88.9Confident0 Ų038.4 Ų38.40%019%0.185CC..G310 helixtrans-83.2-6.8175.770.80000112.9V89 P90 E94 L95 L96V89-S92 PolarHBondContact O-N 3.24Å; V89-S92 PolarHBondContact O-OG 3.37Å; P90-S92 PolarHBondContact O-N 2.9Å; S92-E94 VanDerWaalsContact C-N 3.28Å; S92-E94 PolarHBondContact O-N 2.92Å; S92-L95 WeakPolarHBondContact O-CB 3.39Å; S92-L95 PolarHBondContact O-N 3.19Å; S92-L95 VanDerWaalsContact O-N 3.16Å; S92-L96 VanDerWaalsContact O-CG 3.31Å; S92-L96 WeakPolarHBondContact O-CG 3.16Å; S92-L96 PolarHBondContact O-N 2.88Å
93V91.4Very high88.6Confident17 Ų1738.5 Ų38.510%0.10319%0.185CC..Hα-helixtrans-60.5-37.7-174.11730000112A86 P90 E91 L96 R97 I126A86-V93 HydrophobicContact CB-CG2 4Å; P90-V93 VanDerWaalsContact O-CB 3.29Å; P90-V93 WeakPolarHBondContact O-CB 3.49Å; P90-V93 VanDerWaalsContact O-CG2 3.23Å; P90-V93 WeakPolarHBondContact O-CG2 3.47Å; P90-V93 PolarHBondContact O-N 3.5Å; P90-V93 VanDerWaalsContact O-N 3.17Å; E91-V93 VanDerWaalsContact C-N 3.3Å; V93-L96 PolarHBondContact O-N 3.47Å; V93-R97 HydrophobicContact CG1-CG 4.5Å; V93-R97 VanDerWaalsContact O-CG 3.29Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.44Å; V93-I126 HydrophobicContact CG1-CB 4.01Å; V93-I126 HydrophobicContact CG1-CG2 4.21Å
94E89.7Confident88.4Confident73 Ų7338.5 Ų38.534%0.34119%0.185SC..Hα-helixtrans-64-45.3177-168.461-164.300111.4S92 L96 R97 E98S92-E94 VanDerWaalsContact C-N 3.28Å; S92-E94 PolarHBondContact O-N 2.92Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3Å; E94-R97 WeakPolarHBondContact O-CB 3.37Å; E94-R97 PolarHBondContact O-N 3.36Å; E94-R97 VanDerWaalsContact O-N 3.15Å; E94-R97 IonicContact OE2-CZ 3Å; E94-R97 IonicContact OE2-NH1 2.65Å; E94-R97 PolarHBondContact OE2-NH1 2.94Å; E94-E98 WeakPolarHBondContact O-CG 3.13Å; E94-E98 PolarHBondContact O-N 2.91Å
95L89.5Confident88.3Confident31 Ų3134.2 Ų34.216%0.16217%0.171CC..Hα-helixtrans-58.4-45.2174.8-17279.1000111.5L53 V54 S92 R97 E98 H99L53-L95 HydrophobicContact CB-CD2 4.49Å; L53-L95 HydrophobicContact CD2-CD2 3.96Å; L53-L95 HydrophobicContact CG-CD2 4.18Å; V54-L95 HydrophobicContact CG2-CD1 3.62Å; V54-L95 HydrophobicContact CG2-CD2 3.69Å; V54-L95 HydrophobicContact CG2-CG 3.98Å; S92-L95 WeakPolarHBondContact O-CB 3.39Å; S92-L95 PolarHBondContact O-N 3.19Å; S92-L95 VanDerWaalsContact O-N 3.16Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.42Å; L95-E98 PolarHBondContact O-N 3.46Å; L95-H99 VanDerWaalsContact CD1-CE1 3.5Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.35Å; L95-H99 PolarHBondContact O-N 3.47Å; L95-H99 PolarHBondContact O-ND1 3.07Å
96L91Very high88.2Confident0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-59.7-41.7177.3-66.3178.3000111.3L57 I82 I85 A86 S92 V93 E94 M100L57-L96 HydrophobicContact CD1-CD2 3.67Å; L57-L96 HydrophobicContact CD2-CD2 3.68Å; L57-L96 HydrophobicContact CG-CD2 4.26Å; I82-L96 HydrophobicContact CG2-CD1 4.11Å; I82-L96 HydrophobicContact CG2-CD2 4.15Å; I85-L96 HydrophobicContact CB-CD1 4.46Å; I85-L96 HydrophobicContact CG2-CD1 4.14Å; A86-L96 HydrophobicContact CB-CD1 3.65Å; S92-L96 VanDerWaalsContact O-CG 3.31Å; S92-L96 WeakPolarHBondContact O-CG 3.16Å; S92-L96 PolarHBondContact O-N 2.88Å; V93-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3Å; L96-M100 WeakPolarHBondContact O-CB 3.3Å; L96-M100 WeakPolarHBondContact O-CG 3.09Å; L96-M100 PolarHBondContact O-N 3.2Å
97R89.3Confident88.2Confident29 Ų2936.1 Ų36.111%0.10918%0.183CC..Hα-helixtrans-63.2-49.1177.4-69.6166.7-170.4158.8-5.3111.6V93 E94 L95 H99 M100 E101 I126 D128 L131V93-R97 HydrophobicContact CG1-CG 4.5Å; V93-R97 VanDerWaalsContact O-CG 3.29Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.44Å; E94-R97 WeakPolarHBondContact O-CB 3.37Å; E94-R97 PolarHBondContact O-N 3.36Å; E94-R97 VanDerWaalsContact O-N 3.15Å; E94-R97 IonicContact OE2-CZ 3Å; E94-R97 IonicContact OE2-NH1 2.65Å; E94-R97 PolarHBondContact OE2-NH1 2.94Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.42Å; R97-H99 PolarHBondContact O-N 3.08Å; R97-M100 PolarHBondContact O-N 3.2Å; R97-E101 WeakPolarHBondContact O-CB 3.39Å; R97-E101 PolarHBondContact O-N 2.76Å; R97-I126 HydrophobicContact CG-CB 4.33Å; R97-I126 HydrophobicContact CG-CD1 4.04Å; R97-I126 HydrophobicContact CG-CG1 4.41Å; R97-I126 PolarHBondContact NE-O 3.16Å; R97-I126 PolarHBondContact NH2-O 3.5Å; R97-D128 IonicContact CZ-OD1 3.42Å; R97-D128 IonicContact CZ-OD2 3.75Å; R97-D128 VanDerWaalsContact NH1-CG 3.32Å; R97-D128 IonicContact NH1-OD1 2.68Å; R97-D128 IonicContact NH1-OD2 3.76Å; R97-D128 PolarHBondContact NH1-OD2 2.97Å; R97-D128 IonicContact NH2-OD2 3.44Å; R97-D128 PolarHBondContact NH2-OD2 3.21Å; R97-L131 HydrophobicContact CG-CD2 4.26Å
98E86.5Confident88.4Confident99 Ų9931 Ų3146%0.46316%0.161SC..Hα-helixtrans-57.7-38.6-177.2-73.3-179.7162.100112.2E94 L95E94-E98 WeakPolarHBondContact O-CG 3.13Å; E94-E98 PolarHBondContact O-N 2.91Å; L95-E98 PolarHBondContact O-N 3.46Å
99H87.3Confident88.6Confident44 Ų4432.2 Ų32.220%0.20418%0.175CC..Hα-helixtrans-88.2-32.1-177.7-63.374.6000112.2V54 L57 D58 N61 L95 R97V54-H99 WeakPolarHBondContact CG1-NE2 3.46Å; L57-H99 HydrophobicContact CB-CB 4.03Å; L57-H99 HydrophobicContact CD1-CB 3.97Å; D58-H99 IonicContact OD1-CD2 3.2Å; D58-H99 PolarHBondContact OD1-CD2 3.32Å; N61-H99 PolarHBondContact ND2-O 3.08Å; L95-H99 VanDerWaalsContact CD1-CE1 3.5Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.35Å; L95-H99 PolarHBondContact O-N 3.47Å; L95-H99 PolarHBondContact O-ND1 3.07Å; R97-H99 PolarHBondContact O-N 3.08Å
100M86Confident88.8Confident0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-85.7-9.1-178.8-63.4-62.9-50.600114.2L57 M60 N61 L64 I82 L96 R97 T102 S103 F104 L107L57-M100 HydrophobicContact CD2-SD 4.04Å; M60-M100 HydrophobicContact CE-SD 4.32Å; N61-M100 VanDerWaalsContact OD1-CE 3.28Å; N61-M100 WeakPolarHBondContact OD1-CE 3.19Å; N61-M100 PolarHBondContact OD1-SD 3.22Å; L64-M100 HydrophobicContact CD1-CE 4.23Å; I82-M100 HydrophobicContact CD1-CE 3.52Å; I82-M100 HydrophobicContact CD1-CG 4.48Å; I82-M100 HydrophobicContact CD1-SD 3.59Å; I82-M100 VanDerWaalsContact CD1-SD 3.59Å; I82-M100 HydrophobicContact CG1-SD 4.46Å; L96-M100 WeakPolarHBondContact O-CB 3.3Å; L96-M100 WeakPolarHBondContact O-CG 3.09Å; L96-M100 PolarHBondContact O-N 3.2Å; R97-M100 PolarHBondContact O-N 3.2Å; M100-T102 PolarHBondContact O-N 3.23Å; M100-S103 PolarHBondContact O-N 2.86Å; M100-S103 VanDerWaalsContact O-N 3.13Å; M100-F104 HydrophobicContact CB-CD2 4.48Å; M100-F104 HydrophobicContact CB-CE1 4.49Å; M100-F104 HydrophobicContact CB-CE2 3.63Å; M100-F104 HydrophobicContact CB-CZ 3.6Å; M100-F104 WeakPolarHBondContact O-CD2 3.34Å; M100-F104 WeakPolarHBondContact O-CE2 3.4Å; M100-F104 PolarHBondContact O-N 3.17Å; M100-L107 HydrophobicContact CE-CD1 4.18Å
101E83.1Confident88.9Confident21 Ų2136.1 Ų36.110%0.09819%0.191CC..Hα-helixtrans-54.5-48.6-171.4-170.4168.2-157.500112.8R97 S103 F104 R134R97-E101 WeakPolarHBondContact O-CB 3.39Å; R97-E101 PolarHBondContact O-N 2.76Å; E101-S103 VanDerWaalsContact C-N 3.3Å; E101-S103 PolarHBondContact O-N 3.47Å; E101-F104 PolarHBondContact O-N 3.26Å; E101-R134 IonicContact OE1-NE 2.72Å; E101-R134 IonicContact OE2-CZ 2.86Å; E101-R134 VanDerWaalsContact OE2-CZ 3.24Å; E101-R134 IonicContact OE2-NE 3.7Å; E101-R134 PolarHBondContact OE2-NE 3.49Å; E101-R134 IonicContact OE2-NH2 2.75Å; E101-R134 PolarHBondContact OE2-NH2 3.23Å
102T78.8Confident89Confident56 Ų5632.1 Ų32.134%0.34417%0.173SC..Hα-helixtrans-64.6-36-178.960.30000111.8M100 F104M100-T102 PolarHBondContact O-N 3.23Å; T102-F104 VanDerWaalsContact C-N 3.32Å; T102-F104 PolarHBondContact O-N 2.82Å
103S86.2Confident89.2Confident1 Ų135.5 Ų35.51%0.00720%0.197CC..Hα-helixtrans-73.9-20.9-178-55.40000113.2N61 M100 E101 A105 T106 L107N61-S103 WeakPolarHBondContact CB-OG 3.46Å; N61-S103 PolarHBondContact OD1-OG 3.13Å; M100-S103 PolarHBondContact O-N 2.86Å; M100-S103 VanDerWaalsContact O-N 3.13Å; E101-S103 VanDerWaalsContact C-N 3.3Å; E101-S103 PolarHBondContact O-N 3.47Å; S103-A105 VanDerWaalsContact C-N 3.32Å; S103-A105 PolarHBondContact O-N 3.31Å; S103-T106 PolarHBondContact O-N 2.77Å; S103-L107 WeakPolarHBondContact O-CB 3.3Å; S103-L107 VanDerWaalsContact O-CG 3.27Å; S103-L107 WeakPolarHBondContact O-CG 3.42Å; S103-L107 PolarHBondContact O-N 3.09Å
104F89.4Confident89.3Confident0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-64.3-35.4-179.8-72.1-55.3000113.2M100 E101 T102 T106 L107 L108 L122 L123 I126 W135 L145M100-F104 HydrophobicContact CB-CD2 4.48Å; M100-F104 HydrophobicContact CB-CE1 4.49Å; M100-F104 HydrophobicContact CB-CE2 3.63Å; M100-F104 HydrophobicContact CB-CZ 3.6Å; M100-F104 WeakPolarHBondContact O-CD2 3.34Å; M100-F104 WeakPolarHBondContact O-CE2 3.4Å; M100-F104 PolarHBondContact O-N 3.17Å; E101-F104 PolarHBondContact O-N 3.26Å; T102-F104 VanDerWaalsContact C-N 3.32Å; T102-F104 PolarHBondContact O-N 2.82Å; F104-T106 VanDerWaalsContact C-N 3.3Å; F104-T106 PolarHBondContact O-N 3.14Å; F104-L107 HydrophobicContact CD1-CD1 4.31Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-L108 WeakPolarHBondContact O-CB 3.34Å; F104-L108 WeakPolarHBondContact O-CD1 3.32Å; F104-L108 WeakPolarHBondContact O-CG 3.33Å; F104-L108 PolarHBondContact O-N 3.12Å; F104-L122 HydrophobicContact CE1-CD2 3.9Å; F104-L122 HydrophobicContact CE1-CG 4.16Å; F104-L122 HydrophobicContact CZ-CD2 4.31Å; F104-L122 HydrophobicContact CZ-CG 4.46Å; F104-L123 HydrophobicContact CD1-CD1 4.07Å; F104-L123 HydrophobicContact CD1-CD2 3.6Å; F104-L123 HydrophobicContact CD1-CG 3.7Å; F104-L123 HydrophobicContact CD2-CD2 3.68Å; F104-L123 HydrophobicContact CE1-CD2 3.62Å; F104-L123 HydrophobicContact CE1-CG 3.79Å; F104-L123 HydrophobicContact CE2-CD2 3.71Å; F104-L123 HydrophobicContact CG-CD1 4.37Å; F104-L123 HydrophobicContact CG-CD2 3.68Å; F104-L123 HydrophobicContact CG-CG 4.2Å; F104-L123 HydrophobicContact CZ-CD2 3.71Å; F104-L123 HydrophobicContact CZ-CG 4.36Å; F104-I126 HydrophobicContact CE1-CD1 4.41Å; F104-I126 HydrophobicContact CE2-CD1 3.73Å; F104-I126 HydrophobicContact CZ-CD1 3.35Å; F104-I126 HydrophobicContact CZ-CG1 4.46Å; F104-W135 HydrophobicContact CD2-CZ2 4.42Å; F104-L145 HydrophobicContact CB-CD1 3.55Å
105A88.7Confident89.6Confident10 Ų1037.1 Ų37.18%0.08320%0.198CC..Hα-helixtrans-58.5-47.4175.600000110.3S103 A109 D144 L145 N148S103-A105 VanDerWaalsContact C-N 3.32Å; S103-A105 PolarHBondContact O-N 3.31Å; A105-A109 PolarHBondContact O-N 3.32Å; A105-D144 HydrophobicContact CB-CB 4.31Å; A105-L145 HydrophobicContact CB-CB 4.3Å; A105-L145 HydrophobicContact CB-CD1 4.4Å; A105-N148 PolarHBondContact O-ND2 3.45Å
106T88.9Confident89.9Confident46 Ų4635.8 Ų35.828%0.28219%0.191SC..Hα-helixtrans-64.8-48.2176.9-50.20000112.3S103 F104 L108 A109 W110S103-T106 PolarHBondContact O-N 2.77Å; F104-T106 VanDerWaalsContact C-N 3.3Å; F104-T106 PolarHBondContact O-N 3.14Å; T106-L108 VanDerWaalsContact C-N 3.28Å; T106-L108 PolarHBondContact O-N 2.68Å; T106-A109 PolarHBondContact O-N 2.84Å; T106-W110 HydrophobicContact CG2-CE3 4.32Å; T106-W110 HydrophobicContact CG2-CZ3 4.24Å; T106-W110 PolarHBondContact O-N 3.47Å; T106-W110 VanDerWaalsContact O-N 3.15Å
107L92.9Very high90.1Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-61.9-34.2-178.5-72.1176.7000112.9L64 I79 M100 S103 F104 W110 V115 S116 A119L64-L107 HydrophobicContact CD1-CD2 4.3Å; L64-L107 HydrophobicContact CD2-CD2 4.15Å; I79-L107 HydrophobicContact CD1-CD2 4.11Å; I79-L107 HydrophobicContact CG1-CD1 4.39Å; I79-L107 HydrophobicContact CG1-CD2 4.47Å; M100-L107 HydrophobicContact CE-CD1 4.18Å; S103-L107 WeakPolarHBondContact O-CB 3.3Å; S103-L107 VanDerWaalsContact O-CG 3.27Å; S103-L107 WeakPolarHBondContact O-CG 3.42Å; S103-L107 PolarHBondContact O-N 3.09Å; F104-L107 HydrophobicContact CD1-CD1 4.31Å; F104-L107 PolarHBondContact O-N 3.42Å; L107-W110 HydrophobicContact CD2-CE3 3.83Å; L107-W110 HydrophobicContact CD2-CZ3 3.76Å; L107-V115 HydrophobicContact CD2-CG1 4.1Å; L107-S116 WeakPolarHBondContact O-CA 3.5Å; L107-A119 HydrophobicContact CB-CB 3.71Å
108L93.8Very high90.4Very high5 Ų540.3 Ų40.33%0.02621%0.214CC..Hα-helixtrans-75.4-25.8176.3-67.1171.3000112.8F104 T106 S116 A119 C120 L123 L145 N148 F149 L152F104-L108 WeakPolarHBondContact O-CB 3.34Å; F104-L108 WeakPolarHBondContact O-CD1 3.32Å; F104-L108 WeakPolarHBondContact O-CG 3.33Å; F104-L108 PolarHBondContact O-N 3.12Å; T106-L108 VanDerWaalsContact C-N 3.28Å; T106-L108 PolarHBondContact O-N 2.68Å; L108-S116 WeakPolarHBondContact O-CB 3.3Å; L108-A119 HydrophobicContact CD2-CB 4.11Å; L108-C120 VanDerWaalsContact CD2-SG 3.59Å; L108-L123 HydrophobicContact CD1-CD1 4.11Å; L108-L123 HydrophobicContact CD2-CD1 4.11Å; L108-L123 HydrophobicContact CG-CD1 4.41Å; L108-L145 HydrophobicContact CD1-CD1 3.84Å; L108-L145 HydrophobicContact CD1-CG 4.42Å; L108-N148 HydrophobicContact CB-CB 3.74Å; L108-F149 HydrophobicContact CD1-CB 4.2Å; L108-L152 HydrophobicContact CB-CD1 4.16Å; L108-L152 HydrophobicContact CD2-CD1 3.67Å
109A91.7Very high90.8Very high48 Ų4835.6 Ų35.640%0.39719%0.192SC..Hα-helixtrans-87.9-3.7176.500000114.5A105 T106 N111 N148A105-A109 PolarHBondContact O-N 3.32Å; T106-A109 PolarHBondContact O-N 2.84Å; A109-N111 PolarHBondContact O-N 2.88Å; A109-N148 HydrophobicContact CB-CB 4.44Å; A109-N148 WeakPolarHBondContact CB-ND2 3.11Å
110W93.2Very high91.3Very high13 Ų1333.5 Ų33.55%0.04918%0.182CC..  trans-56.4137.9-172.8-146.9-73.8000112.4L64 E67 C70 A75 T106 L107 D112 V115L64-W110 HydrophobicContact CB-CH2 4.42Å; L64-W110 HydrophobicContact CB-CZ3 4.31Å; L64-W110 HydrophobicContact CD2-CH2 4.19Å; L64-W110 HydrophobicContact CD2-CZ3 4.4Å; L64-W110 WeakPolarHBondContact O-CH2 3.35Å; L64-W110 WeakPolarHBondContact O-CZ3 3.49Å; E67-W110 HydrophobicContact CB-CD2 4.45Å; E67-W110 HydrophobicContact CB-CH2 4.09Å; E67-W110 HydrophobicContact CB-CZ2 3.84Å; E67-W110 HydrophobicContact CB-CZ3 4.47Å; E67-W110 HydrophobicContact CG-CD2 4.09Å; E67-W110 HydrophobicContact CG-CG 4.47Å; E67-W110 HydrophobicContact CG-CZ2 3.79Å; E67-W110 PolarHBondContact OE1-NE1 3.48Å; C70-W110 HydrophobicContact CB-CH2 4.21Å; C70-W110 HydrophobicContact CB-CZ2 4.28Å; C70-W110 WeakPolarHBondContact O-CZ2 3.38Å; A75-W110 HydrophobicContact CB-CH2 4.11Å; A75-W110 HydrophobicContact CB-CZ2 3.98Å; T106-W110 HydrophobicContact CG2-CE3 4.32Å; T106-W110 HydrophobicContact CG2-CZ3 4.24Å; T106-W110 PolarHBondContact O-N 3.47Å; T106-W110 VanDerWaalsContact O-N 3.15Å; L107-W110 HydrophobicContact CD2-CE3 3.83Å; L107-W110 HydrophobicContact CD2-CZ3 3.76Å; W110-D112 VanDerWaalsContact C-N 3.28Å; W110-D112 PolarHBondContact O-N 3.17Å; W110-V115 HydrophobicContact CB-CB 3.93Å; W110-V115 HydrophobicContact CB-CG1 3.84Å; W110-V115 HydrophobicContact CD2-CB 4.36Å; W110-V115 HydrophobicContact CD2-CG1 3.72Å; W110-V115 HydrophobicContact CE3-CG1 4.06Å; W110-V115 HydrophobicContact CG-CB 3.81Å; W110-V115 HydrophobicContact CG-CG1 3.63Å; W110-V115 HydrophobicContact CG-CG2 4.25Å
111N90.6Very high91.7Very high142 Ų14237.3 Ų37.376%0.75920%0.196SC*.SBendtrans-64.3-32.5-175.9-70.4-63.8000113.1E67 A109 S113E67-N111 WeakPolarHBondContact OE1-CB 3.41Å; E67-N111 PolarHBondContact OE1-N 3.1Å; E67-N111 PolarHBondContact OE1-ND2 3.29Å; A109-N111 PolarHBondContact O-N 2.88Å; N111-S113 PolarHBondContact O-N 3.21Å
112D92.2Very high92.3Very high39 Ų3936.3 Ų36.321%0.20919%0.192CC..SBendtrans-79.5109.3173.3-167.6-46000109.7A72 W110 R114 V115A72-D112 HydrophobicContact CB-CB 3.88Å; A72-D112 VanDerWaalsContact CB-OD2 3.24Å; A72-D112 WeakPolarHBondContact CB-OD2 3.15Å; W110-D112 VanDerWaalsContact C-N 3.28Å; W110-D112 PolarHBondContact O-N 3.17Å; D112-R114 PolarHBondContact O-N 3.03Å; D112-R114 VanDerWaalsContact OD1-CB 3.24Å; D112-R114 WeakPolarHBondContact OD1-CB 3.43Å; D112-R114 WeakPolarHBondContact OD1-CG 3.43Å; D112-R114 IonicContact OD1-CZ 2.89Å; D112-R114 PolarHBondContact OD1-N 3.05Å; D112-R114 IonicContact OD1-NE 3.08Å; D112-R114 PolarHBondContact OD1-NE 3.04Å; D112-R114 IonicContact OD1-NH2 2.75Å; D112-R114 IonicContact OD2-CZ 3.76Å; D112-R114 IonicContact OD2-NE 2.68Å; D112-R114 PolarHBondContact OD2-NE 3.02Å; D112-R114 IonicContact OD2-NH2 2.7Å; D112-R114 PolarHBondContact OD2-NH2 3.1Å; D112-V115 HydrophobicContact CB-CG2 4.03Å; D112-V115 WeakPolarHBondContact O-CB 3.47Å; D112-V115 PolarHBondContact O-N 2.96Å
113S92.2Very high93.1Very high71 Ų7133.7 Ų33.750%0.49718%0.175SC..Hα-helixtrans-57.6-24.7-176.5680000113.7N111 V115 S116 E117N111-S113 PolarHBondContact O-N 3.21Å; S113-V115 VanDerWaalsContact C-N 3.32Å; S113-S116 WeakPolarHBondContact CA-OG 3.15Å; S113-S116 PolarHBondContact O-OG 3.28Å; S113-S116 VanDerWaalsContact O-OG 3.09Å; S113-E117 WeakPolarHBondContact O-CB 3.02Å; S113-E117 VanDerWaalsContact O-CG 3.26Å; S113-E117 WeakPolarHBondContact O-CG 3.2Å; S113-E117 PolarHBondContact O-N 3.07Å
114R94.5Very high93.5Very high125 Ų12535.6 Ų35.647%0.47219%0.185SC..Hα-helixtrans-67.3-37.9176.7-57.8172.4-66.8172.9-0.6110.4L76 D112 E117 H118L76-R114 HydrophobicContact CD1-CB 4.32Å; L76-R114 HydrophobicContact CD2-CB 4.14Å; D112-R114 PolarHBondContact O-N 3.03Å; D112-R114 VanDerWaalsContact OD1-CB 3.24Å; D112-R114 WeakPolarHBondContact OD1-CB 3.43Å; D112-R114 WeakPolarHBondContact OD1-CG 3.43Å; D112-R114 IonicContact OD1-CZ 2.89Å; D112-R114 PolarHBondContact OD1-N 3.05Å; D112-R114 IonicContact OD1-NE 3.08Å; D112-R114 PolarHBondContact OD1-NE 3.04Å; D112-R114 IonicContact OD1-NH2 2.75Å; D112-R114 IonicContact OD2-CZ 3.76Å; D112-R114 IonicContact OD2-NE 2.68Å; D112-R114 PolarHBondContact OD2-NE 3.02Å; D112-R114 IonicContact OD2-NH2 2.7Å; D112-R114 PolarHBondContact OD2-NH2 3.1Å; R114-E117 PolarHBondContact O-N 3.08Å; R114-H118 WeakPolarHBondContact O-CB 3.45Å; R114-H118 PolarHBondContact O-N 3.37Å; R114-H118 PolarHBondContact O-ND1 2.93Å
115V95.5Very high93.7Very high0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-65.4-47.5179.9178.90000109.8A72 A75 L76 I79 L107 W110 D112 S113 E117 H118 A119A72-V115 HydrophobicContact CB-CG2 3.91Å; A75-V115 HydrophobicContact CB-CG1 4.05Å; A75-V115 HydrophobicContact CB-CG2 4.17Å; L76-V115 HydrophobicContact CD2-CG2 4.14Å; L76-V115 HydrophobicContact CG-CG2 4.05Å; I79-V115 HydrophobicContact CD1-CG1 3.86Å; L107-V115 HydrophobicContact CD2-CG1 4.1Å; W110-V115 HydrophobicContact CB-CB 3.93Å; W110-V115 HydrophobicContact CB-CG1 3.84Å; W110-V115 HydrophobicContact CD2-CB 4.36Å; W110-V115 HydrophobicContact CD2-CG1 3.72Å; W110-V115 HydrophobicContact CE3-CG1 4.06Å; W110-V115 HydrophobicContact CG-CB 3.81Å; W110-V115 HydrophobicContact CG-CG1 3.63Å; W110-V115 HydrophobicContact CG-CG2 4.25Å; D112-V115 HydrophobicContact CB-CG2 4.03Å; D112-V115 WeakPolarHBondContact O-CB 3.47Å; D112-V115 PolarHBondContact O-N 2.96Å; S113-V115 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 3.23Å; V115-H118 PolarHBondContact O-N 3.46Å; V115-A119 WeakPolarHBondContact O-CB 3.19Å; V115-A119 PolarHBondContact O-N 3.39Å
116S95.5Very high93.9Very high3 Ų337.1 Ų37.12%0.02119%0.194CC..Hα-helixtrans-66.3-35.4177.752.50000113L107 L108 S113 A119 C120L107-S116 WeakPolarHBondContact O-CA 3.5Å; L108-S116 WeakPolarHBondContact O-CB 3.3Å; S113-S116 WeakPolarHBondContact CA-OG 3.15Å; S113-S116 PolarHBondContact O-OG 3.28Å; S113-S116 VanDerWaalsContact O-OG 3.09Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.22Å; S116-C120 PolarHBondContact O-N 2.86Å
117E95.3Very high94.1Very high69 Ų6935.4 Ų35.432%0.32218%0.183SC..Hα-helixtrans-60.3-46.6169.1-79.5174.4-169.700112.7S113 R114 V115 A119 C120 W121 N157 Q159S113-E117 WeakPolarHBondContact O-CB 3.02Å; S113-E117 VanDerWaalsContact O-CG 3.26Å; S113-E117 WeakPolarHBondContact O-CG 3.2Å; S113-E117 PolarHBondContact O-N 3.07Å; R114-E117 PolarHBondContact O-N 3.08Å; V115-E117 PolarHBondContact O-N 3.23Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 3.48Å; E117-C120 WeakPolarHBondContact O-CB 3.18Å; E117-C120 PolarHBondContact O-N 3.02Å; E117-W121 PolarHBondContact O-N 3.16Å; E117-N157 WeakPolarHBondContact CG-ND2 3.41Å; E117-Q159 HydrophobicContact CB-CG 4.43Å
118H95.8Very high94Very high55 Ų5537 Ų3726%0.25519%0.191SC..Hα-helixtrans-68.5-31.9178.2-74.567000111.3L76 I79 R114 V115 W121 L122L76-H118 HydrophobicContact CD2-CB 3.94Å; L76-H118 WeakPolarHBondContact CD2-ND1 3.39Å; I79-H118 HydrophobicContact CB-CB 4.44Å; I79-H118 HydrophobicContact CD1-CB 4.09Å; I79-H118 HydrophobicContact CG2-CB 3.86Å; I79-H118 VanDerWaalsContact CG2-O 3.32Å; I79-H118 WeakPolarHBondContact CG2-O 3.48Å; R114-H118 WeakPolarHBondContact O-CB 3.45Å; R114-H118 PolarHBondContact O-N 3.37Å; R114-H118 PolarHBondContact O-ND1 2.93Å; V115-H118 PolarHBondContact O-N 3.46Å; H118-W121 CarbonylContact O-C 3.58Å; H118-W121 WeakPolarHBondContact O-CB 3.09Å; H118-W121 PolarHBondContact O-N 2.86Å; H118-L122 WeakPolarHBondContact O-CB 3.38Å; H118-L122 PolarHBondContact O-N 3.21Å
119A95.7Very high93.8Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-62.4-45.6172.700000111.2L107 L108 V115 S116 E117 W121 L122 L123L107-A119 HydrophobicContact CB-CB 3.71Å; L108-A119 HydrophobicContact CD2-CB 4.11Å; V115-A119 WeakPolarHBondContact O-CB 3.19Å; V115-A119 PolarHBondContact O-N 3.39Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.22Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 3.48Å; A119-W121 VanDerWaalsContact C-N 3.29Å; A119-W121 PolarHBondContact O-N 2.69Å; A119-L122 PolarHBondContact O-N 2.9Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 WeakPolarHBondContact O-CG 3.42Å; A119-L123 PolarHBondContact O-N 3.02Å
120C97.1Very high93.7Very high0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-59.6-39.1171.8-71.80000112.3L108 S116 E117 L123 L124 Q159 L163L108-C120 VanDerWaalsContact CD2-SG 3.59Å; S116-C120 PolarHBondContact O-N 2.86Å; E117-C120 WeakPolarHBondContact O-CB 3.18Å; E117-C120 PolarHBondContact O-N 3.02Å; C120-L123 PolarHBondContact O-N 3.44Å; C120-L124 WeakPolarHBondContact O-CB 3.44Å; C120-L124 WeakPolarHBondContact O-CG 3.22Å; C120-L124 PolarHBondContact O-N 3.2Å; C120-Q159 HydrophobicContact CB-CB 3.63Å; C120-L163 HydrophobicContact CB-CD2 4.38Å
121W95.6Very high93.4Very high80 Ų8041.7 Ų41.730%0.30321%0.208SC..Hα-helixtrans-68.6-38.2176.8173.286.8000113.6A83 E117 H118 A119 L124 T125A83-W121 HydrophobicContact CB-CE3 3.92Å; A83-W121 HydrophobicContact CB-CH2 3.4Å; A83-W121 VanDerWaalsContact CB-CH2 3.4Å; A83-W121 HydrophobicContact CB-CZ2 4.45Å; A83-W121 HydrophobicContact CB-CZ3 3.07Å; E117-W121 PolarHBondContact O-N 3.16Å; H118-W121 CarbonylContact O-C 3.58Å; H118-W121 WeakPolarHBondContact O-CB 3.09Å; H118-W121 PolarHBondContact O-N 2.86Å; A119-W121 VanDerWaalsContact C-N 3.29Å; A119-W121 PolarHBondContact O-N 2.69Å; W121-L124 WeakPolarHBondContact O-CB 3.45Å; W121-L124 PolarHBondContact O-N 3.42Å; W121-T125 PolarHBondContact O-N 2.99Å; W121-T125 VanDerWaalsContact O-N 3.15Å; W121-T125 PolarHBondContact O-OG1 3.02Å; W121-T125 VanDerWaalsContact O-OG1 3.05Å
122L95.6Very high93.3Very high0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-64.8-46.7171.9168.260.3000110.2I79 I82 A83 F104 H118 A119 L124 T125 I126I79-L122 HydrophobicContact CG2-CB 3.65Å; I79-L122 HydrophobicContact CG2-CD2 3.96Å; I79-L122 HydrophobicContact CG2-CG 4.4Å; I82-L122 HydrophobicContact CB-CD1 4.22Å; I82-L122 HydrophobicContact CB-CD2 4.24Å; I82-L122 HydrophobicContact CD1-CD2 4.17Å; I82-L122 HydrophobicContact CG2-CD1 3.72Å; I82-L122 HydrophobicContact CG2-CD2 4.05Å; A83-L122 HydrophobicContact CB-CD1 3.84Å; F104-L122 HydrophobicContact CE1-CD2 3.9Å; F104-L122 HydrophobicContact CE1-CG 4.16Å; F104-L122 HydrophobicContact CZ-CD2 4.31Å; F104-L122 HydrophobicContact CZ-CG 4.46Å; H118-L122 WeakPolarHBondContact O-CB 3.38Å; H118-L122 PolarHBondContact O-N 3.21Å; A119-L122 PolarHBondContact O-N 2.9Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.32Å; L122-T125 WeakPolarHBondContact O-CA 3.39Å; L122-T125 VanDerWaalsContact O-CB 3.25Å; L122-T125 WeakPolarHBondContact O-CB 3.33Å; L122-T125 PolarHBondContact O-N 3.23Å; L122-I126 HydrophobicContact CD1-CG2 4.05Å; L122-I126 PolarHBondContact O-N 3.37Å
123L95.4Very high93Very high0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-56-43.2173.2-77.5171.6000111.3F104 L108 A119 C120 T125 I126 I127 W135 L163F104-L123 HydrophobicContact CD1-CD1 4.07Å; F104-L123 HydrophobicContact CD1-CD2 3.6Å; F104-L123 HydrophobicContact CD1-CG 3.7Å; F104-L123 HydrophobicContact CD2-CD2 3.68Å; F104-L123 HydrophobicContact CE1-CD2 3.62Å; F104-L123 HydrophobicContact CE1-CG 3.79Å; F104-L123 HydrophobicContact CE2-CD2 3.71Å; F104-L123 HydrophobicContact CG-CD1 4.37Å; F104-L123 HydrophobicContact CG-CD2 3.68Å; F104-L123 HydrophobicContact CG-CG 4.2Å; F104-L123 HydrophobicContact CZ-CD2 3.71Å; F104-L123 HydrophobicContact CZ-CG 4.36Å; L108-L123 HydrophobicContact CD1-CD1 4.11Å; L108-L123 HydrophobicContact CD2-CD1 4.11Å; L108-L123 HydrophobicContact CG-CD1 4.41Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 WeakPolarHBondContact O-CG 3.42Å; A119-L123 PolarHBondContact O-N 3.02Å; C120-L123 PolarHBondContact O-N 3.44Å; L123-T125 PolarHBondContact O-N 3.39Å; L123-I126 PolarHBondContact O-N 3.48Å; L123-I126 VanDerWaalsContact O-N 3.16Å; L123-I127 WeakPolarHBondContact O-CA 3.28Å; L123-I127 WeakPolarHBondContact O-CB 3.28Å; L123-I127 WeakPolarHBondContact O-CG2 3.49Å; L123-I127 PolarHBondContact O-N 3.44Å; L123-W135 HydrophobicContact CD1-CH2 3.92Å; L123-W135 HydrophobicContact CD2-CH2 3.53Å; L123-W135 HydrophobicContact CD2-CZ2 3.68Å; L123-W135 HydrophobicContact CG-CH2 4.31Å; L123-L163 HydrophobicContact CB-CD1 4.11Å; L123-L163 HydrophobicContact CB-CD2 3.73Å; L123-L163 HydrophobicContact CD1-CD2 3.9Å; L123-L163 HydrophobicContact CG-CD2 4.48Å
124L94.6Very high92.6Very high41 Ų4138.3 Ų38.322%0.21517%0.174CC..Hα-helixtrans-56.3-34173-89.7167.2000113.5C120 W121 L122 L162 L163 K166C120-L124 WeakPolarHBondContact O-CB 3.44Å; C120-L124 WeakPolarHBondContact O-CG 3.22Å; C120-L124 PolarHBondContact O-N 3.2Å; W121-L124 WeakPolarHBondContact O-CB 3.45Å; W121-L124 PolarHBondContact O-N 3.42Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.32Å; L124-L162 HydrophobicContact CD1-CB 3.75Å; L124-L163 HydrophobicContact CD1-CB 4.43Å; L124-L163 HydrophobicContact CD2-CB 4.22Å; L124-L163 HydrophobicContact CD2-CD1 4.16Å; L124-L163 HydrophobicContact CG-CB 3.94Å; L124-L163 HydrophobicContact CG-CD1 4.02Å; L124-K166 HydrophobicContact CD2-CB 3.71Å; L124-K166 HydrophobicContact CD2-CG 4.18Å
125T92.4Very high91.9Very high42 Ų4232.8 Ų32.826%0.25815%0.153SC..Hα-helixtrans-75-36.1179.8-58.30000111.7A86 K87 W121 L122 L123A86-T125 HydrophobicContact CB-CG2 3.94Å; K87-T125 HydrophobicContact CD-CG2 4.35Å; K87-T125 HydrophobicContact CG-CG2 3.78Å; W121-T125 PolarHBondContact O-N 2.99Å; W121-T125 VanDerWaalsContact O-N 3.15Å; W121-T125 PolarHBondContact O-OG1 3.02Å; W121-T125 VanDerWaalsContact O-OG1 3.05Å; L122-T125 WeakPolarHBondContact O-CA 3.39Å; L122-T125 VanDerWaalsContact O-CB 3.25Å; L122-T125 WeakPolarHBondContact O-CB 3.33Å; L122-T125 PolarHBondContact O-N 3.23Å; L123-T125 PolarHBondContact O-N 3.39Å
126I93.7Very high91Very high1 Ų134.2 Ų34.21%0.00516%0.163CC..Hα-helixtrans-107.2-17.6-172.970.5171.2000114.2A86 V93 R97 F104 L122 L123 D128A86-I126 HydrophobicContact CB-CG2 3.82Å; V93-I126 HydrophobicContact CG1-CB 4.01Å; V93-I126 HydrophobicContact CG1-CG2 4.21Å; R97-I126 HydrophobicContact CG-CB 4.33Å; R97-I126 HydrophobicContact CG-CD1 4.04Å; R97-I126 HydrophobicContact CG-CG1 4.41Å; R97-I126 PolarHBondContact NE-O 3.16Å; R97-I126 PolarHBondContact NH2-O 3.5Å; F104-I126 HydrophobicContact CE1-CD1 4.41Å; F104-I126 HydrophobicContact CE2-CD1 3.73Å; F104-I126 HydrophobicContact CZ-CD1 3.35Å; F104-I126 HydrophobicContact CZ-CG1 4.46Å; L122-I126 HydrophobicContact CD1-CG2 4.05Å; L122-I126 PolarHBondContact O-N 3.37Å; L123-I126 PolarHBondContact O-N 3.48Å; L123-I126 VanDerWaalsContact O-N 3.16Å; I126-D128 PolarHBondContact O-N 3.32Å
127I93.2Very high90.2Very high10 Ų1038.8 Ų38.85%0.05118%0.184CC..  trans-65.5137.7-172.1-166.4169.2000111.7L123 L131 W135 L163 K166 M167 F170L123-I127 WeakPolarHBondContact O-CA 3.28Å; L123-I127 WeakPolarHBondContact O-CB 3.28Å; L123-I127 WeakPolarHBondContact O-CG2 3.49Å; L123-I127 PolarHBondContact O-N 3.44Å; I127-L131 HydrophobicContact CG1-CD2 4.31Å; I127-W135 HydrophobicContact CD1-CZ3 4.28Å; I127-L163 HydrophobicContact CB-CD1 4.38Å; I127-L163 HydrophobicContact CD1-CD1 3.86Å; I127-L163 HydrophobicContact CG2-CD1 3.84Å; I127-K166 HydrophobicContact CG2-CG 4.01Å; I127-M167 HydrophobicContact CD1-CE 3.33Å; I127-M167 HydrophobicContact CD1-CG 3.66Å; I127-M167 HydrophobicContact CD1-SD 4.34Å; I127-F170 HydrophobicContact CD1-CE2 4.3Å; I127-F170 HydrophobicContact CG1-CE2 3.95Å; I127-F170 HydrophobicContact CG2-CE2 4.18Å; I127-F170 HydrophobicContact CG2-CZ 4.18Å
128D91.4Very high88.6Confident33 Ų3343.1 Ų43.118%0.17621%0.21CC..  trans-137.9-175.2169.573.31000111.7R97 I126 N130 L131 L132R97-D128 IonicContact CZ-OD1 3.42Å; R97-D128 IonicContact CZ-OD2 3.75Å; R97-D128 VanDerWaalsContact NH1-CG 3.32Å; R97-D128 IonicContact NH1-OD1 2.68Å; R97-D128 IonicContact NH1-OD2 3.76Å; R97-D128 PolarHBondContact NH1-OD2 2.97Å; R97-D128 IonicContact NH2-OD2 3.44Å; R97-D128 PolarHBondContact NH2-OD2 3.21Å; I126-D128 PolarHBondContact O-N 3.32Å; D128-N130 VanDerWaalsContact C-N 3.3Å; D128-N130 PolarHBondContact O-N 3.21Å; D128-N130 PolarHBondContact OD1-N 3Å; D128-L131 WeakPolarHBondContact OD1-CB 3.44Å; D128-L131 PolarHBondContact OD1-N 2.92Å; D128-L132 PolarHBondContact O-N 2.91Å
129H89.7Confident86.9Confident70 Ų7043.9 Ų43.932%0.32422%0.215SC..Hα-helixtrans-63.6-35.1178.8179.852000112.9K133 F170 P171H129-K133 WeakPolarHBondContact O-CB 3.47Å; H129-K133 PolarHBondContact O-N 2.87Å; H129-F170 HydrophobicContact CB-CB 4.23Å; H129-F170 HydrophobicContact CB-CD1 4.32Å; H129-F170 HydrophobicContact CB-CG 4.29Å; H129-P171 PolarHBondContact CE1-O 3.2Å; H129-P171 PolarHBondContact ND1-O 3.24Å
130N88.2Confident85.4Confident93 Ų9349.5 Ų49.550%0.49725%0.252SS..Hα-helixtrans-71.8-43.9-177.4-68.7-25.6000110.9D128 K133 R134D128-N130 VanDerWaalsContact C-N 3.3Å; D128-N130 PolarHBondContact O-N 3.21Å; D128-N130 PolarHBondContact OD1-N 3Å; N130-K133 WeakPolarHBondContact O-CB 3.39Å; N130-K133 PolarHBondContact O-N 3.45Å; N130-R134 WeakPolarHBondContact O-CG 3.39Å; N130-R134 PolarHBondContact O-N 3.2Å
131L87.8Confident84Confident2 Ų253.1 Ų53.11%0.0127%0.269CS..Hα-helixtrans-60.6-46.6175.5-173.562.5000111R97 I127 D128 K133 R134 W135R97-L131 HydrophobicContact CG-CD2 4.26Å; I127-L131 HydrophobicContact CG1-CD2 4.31Å; D128-L131 WeakPolarHBondContact OD1-CB 3.44Å; D128-L131 PolarHBondContact OD1-N 2.92Å; L131-K133 VanDerWaalsContact C-N 3.25Å; L131-K133 PolarHBondContact O-N 3.31Å; L131-R134 WeakPolarHBondContact O-CB 3.41Å; L131-R134 PolarHBondContact O-N 3.33Å; L131-R134 VanDerWaalsContact O-N 3.16Å; L131-W135 HydrophobicContact CD1-CZ2 4.44Å; L131-W135 HydrophobicContact CD2-CZ2 3.91Å; L131-W135 HydrophobicContact CG-CD2 4.44Å; L131-W135 HydrophobicContact CG-CZ2 4.01Å; L131-W135 VanDerWaalsContact O-CD1 3.3Å; L131-W135 VanDerWaalsContact O-CG 3.28Å; L131-W135 PolarHBondContact O-N 3.17Å
132L88.4Confident82.9Confident1 Ų150.7 Ų50.71%0.00526%0.26CS..Hα-helixtrans-61.4-35.7176.6-178.962.1000112.4D128 W135 S136 W146 M167 F170 V176D128-L132 PolarHBondContact O-N 2.91Å; L132-W135 HydrophobicContact CD1-CE3 4.44Å; L132-W135 PolarHBondContact O-N 3.5Å; L132-S136 PolarHBondContact O-N 3.26Å; L132-W146 HydrophobicContact CD1-CH2 3.55Å; L132-W146 HydrophobicContact CD1-CZ2 3.71Å; L132-M167 HydrophobicContact CD1-SD 4.42Å; L132-M167 HydrophobicContact CD2-CB 4.29Å; L132-M167 HydrophobicContact CD2-CG 4.45Å; L132-F170 HydrophobicContact CD2-CB 4.47Å; L132-F170 HydrophobicContact CD2-CD2 3.97Å; L132-V176 HydrophobicContact CD1-CG1 4.32Å
133K85.1Confident82.1Confident108 Ų10855.7 Ų55.747%0.4729%0.287SS..Hα-helixtrans-68.9-41.9175.4-172.5-174.1171.4-164.90111.4H129 N130 L131 W135 S136 E137H129-K133 WeakPolarHBondContact O-CB 3.47Å; H129-K133 PolarHBondContact O-N 2.87Å; N130-K133 WeakPolarHBondContact O-CB 3.39Å; N130-K133 PolarHBondContact O-N 3.45Å; L131-K133 VanDerWaalsContact C-N 3.25Å; L131-K133 PolarHBondContact O-N 3.31Å; K133-W135 VanDerWaalsContact C-N 3.28Å; K133-W135 PolarHBondContact O-N 3.03Å; K133-S136 WeakPolarHBondContact O-CA 3.49Å; K133-S136 VanDerWaalsContact O-CB 3.25Å; K133-S136 WeakPolarHBondContact O-CB 3.3Å; K133-S136 PolarHBondContact O-N 3.36Å; K133-S136 PolarHBondContact O-OG 3.14Å; K133-E137 PolarHBondContact O-N 2.86Å
134R83.2Confident81.6Confident72 Ų7260.1 Ų60.127%0.27231%0.311SS..Hα-helixtrans-57.8-42.6173.4-72.8168.165.1150.57.6111.2E101 N130 L131 S136 E137E101-R134 IonicContact OE1-NE 2.72Å; E101-R134 IonicContact OE2-CZ 2.86Å; E101-R134 VanDerWaalsContact OE2-CZ 3.24Å; E101-R134 IonicContact OE2-NE 3.7Å; E101-R134 PolarHBondContact OE2-NE 3.49Å; E101-R134 IonicContact OE2-NH2 2.75Å; E101-R134 PolarHBondContact OE2-NH2 3.23Å; N130-R134 WeakPolarHBondContact O-CG 3.39Å; N130-R134 PolarHBondContact O-N 3.2Å; L131-R134 WeakPolarHBondContact O-CB 3.41Å; L131-R134 PolarHBondContact O-N 3.33Å; L131-R134 VanDerWaalsContact O-N 3.16Å; R134-S136 PolarHBondContact O-N 2.94Å; R134-S136 VanDerWaalsContact O-N 3.09Å; R134-E137 WeakPolarHBondContact O-CB 3.39Å; R134-E137 PolarHBondContact O-N 3.2Å
135W80.6Confident81.3Confident8 Ų858.5 Ų58.53%0.0330%0.302CS..THydrogen-bonded Turntrans-65.4-12.1173.8-62.7-2.6000114.4F104 L123 I127 L131 L132 K133 K142 L145 W146 M167F104-W135 HydrophobicContact CD2-CZ2 4.42Å; L123-W135 HydrophobicContact CD1-CH2 3.92Å; L123-W135 HydrophobicContact CD2-CH2 3.53Å; L123-W135 HydrophobicContact CD2-CZ2 3.68Å; L123-W135 HydrophobicContact CG-CH2 4.31Å; I127-W135 HydrophobicContact CD1-CZ3 4.28Å; L131-W135 HydrophobicContact CD1-CZ2 4.44Å; L131-W135 HydrophobicContact CD2-CZ2 3.91Å; L131-W135 HydrophobicContact CG-CD2 4.44Å; L131-W135 HydrophobicContact CG-CZ2 4.01Å; L131-W135 VanDerWaalsContact O-CD1 3.3Å; L131-W135 VanDerWaalsContact O-CG 3.28Å; L131-W135 PolarHBondContact O-N 3.17Å; L132-W135 HydrophobicContact CD1-CE3 4.44Å; L132-W135 PolarHBondContact O-N 3.5Å; K133-W135 VanDerWaalsContact C-N 3.28Å; K133-W135 PolarHBondContact O-N 3.03Å; W135-K142 WeakPolarHBondContact O-CD 3.41Å; W135-K142 WeakPolarHBondContact O-CG 3.23Å; W135-L145 HydrophobicContact CB-CD2 4.24Å; W135-L145 HydrophobicContact CD2-CD2 3.27Å; W135-L145 VanDerWaalsContact CE2-CD2 3.43Å; W135-L145 HydrophobicContact CE3-CD2 3.53Å; W135-L145 HydrophobicContact CG-CD2 3.61Å; W135-L145 HydrophobicContact CH2-CD2 4.04Å; W135-L145 HydrophobicContact CZ2-CD1 4.37Å; W135-L145 HydrophobicContact CZ2-CD2 3.84Å; W135-L145 HydrophobicContact CZ3-CD2 3.9Å; W135-W146 HydrophobicContact CB-CZ2 4.08Å; W135-W146 HydrophobicContact CE3-CH2 4.16Å; W135-W146 HydrophobicContact CE3-CZ2 4.07Å; W135-W146 PolarHBondContact O-NE1 2.98Å; W135-M167 HydrophobicContact CE3-CE 4.29Å; W135-M167 HydrophobicContact CZ3-CE 3.62Å
136S77Confident81.1Confident31 Ų3156.7 Ų56.722%0.21729%0.291CS..THydrogen-bonded Turntrans-89-26.1172.883.80000112.7L132 K133 R134 K142 V176L132-S136 PolarHBondContact O-N 3.26Å; K133-S136 WeakPolarHBondContact O-CA 3.49Å; K133-S136 VanDerWaalsContact O-CB 3.25Å; K133-S136 WeakPolarHBondContact O-CB 3.3Å; K133-S136 PolarHBondContact O-N 3.36Å; K133-S136 PolarHBondContact O-OG 3.14Å; R134-S136 PolarHBondContact O-N 2.94Å; R134-S136 VanDerWaalsContact O-N 3.09Å; S136-K142 PolarHBondContact O-NZ 2.78Å; S136-V176 VanDerWaalsContact CB-CG1 3.41Å
137E77.8Confident80.8Confident99 Ų9960.7 Ų60.746%0.46331%0.312SS..SBendtrans-71.1152.9179.8-65.9170.9-17800109.9K133 R134 L139 K142K133-E137 PolarHBondContact O-N 2.86Å; R134-E137 WeakPolarHBondContact O-CB 3.39Å; R134-E137 PolarHBondContact O-N 3.2Å; E137-L139 PolarHBondContact O-N 3.39Å; E137-K142 WeakPolarHBondContact O-CD 3.47Å
138N61.4Low80.7Confident160 Ų16062 Ų6286%0.85632%0.319SS*.  trans-71.374.3-172-78.8-16.3000112
139L62.1Low80.7Confident70 Ų7060.6 Ų60.637%0.36631%0.311SS..  trans-92.7140.4170.9-66.2167.8000109.3E137 E141 K142E137-L139 PolarHBondContact O-N 3.39Å; L139-E141 PolarHBondContact O-N 2.99Å; L139-K142 HydrophobicContact CB-CB 4.35Å; L139-K142 WeakPolarHBondContact O-CB 3.35Å; L139-K142 PolarHBondContact O-N 3.5Å; L139-K142 VanDerWaalsContact O-N 3.09Å
140P63.8Low80.7Confident118 Ų11857.4 Ų57.477%0.76630%0.297SS*.THydrogen-bonded Turntrans-53.5-39.3174.9-24.132.9000112.5K142P140-K142 VanDerWaalsContact C-N 3.26Å; P140-K142 PolarHBondContact O-N 2.92Å
141E66.8Low80.8Confident77 Ų7757 Ų5736%0.3630%0.298SS..THydrogen-bonded Turntrans-74.5-12.7-177.4-64.6159.8-163.500113.6L139 N143 D144 L145L139-E141 PolarHBondContact O-N 2.99Å; E141-N143 VanDerWaalsContact C-N 3.32Å; E141-N143 PolarHBondContact O-N 3.29Å; E141-D144 PolarHBondContact O-N 2.86Å; E141-L145 WeakPolarHBondContact O-CB 3.41Å; E141-L145 PolarHBondContact O-N 3.49Å
142K73.4Confident81Confident29 Ų2957.8 Ų57.813%0.12630%0.302CS..Hα-helixtrans-56.7-46.3-178.1172.4178.1170.4-175.10111.8W135 S136 E137 L139 P140 W146W135-K142 WeakPolarHBondContact O-CD 3.41Å; W135-K142 WeakPolarHBondContact O-CG 3.23Å; S136-K142 PolarHBondContact O-NZ 2.78Å; E137-K142 WeakPolarHBondContact O-CD 3.47Å; L139-K142 HydrophobicContact CB-CB 4.35Å; L139-K142 WeakPolarHBondContact O-CB 3.35Å; L139-K142 PolarHBondContact O-N 3.5Å; L139-K142 VanDerWaalsContact O-N 3.09Å; P140-K142 VanDerWaalsContact C-N 3.26Å; P140-K142 PolarHBondContact O-N 2.92Å; K142-W146 WeakPolarHBondContact O-CB 3.24Å; K142-W146 PolarHBondContact O-N 3.32Å
143N78.7Confident81.1Confident104 Ų10458 Ų5856%0.55630%0.303SS*.Hα-helixtrans-66.4-44-174.2-72.6-15.4000110.3E141 N147E141-N143 VanDerWaalsContact C-N 3.32Å; E141-N143 PolarHBondContact O-N 3.29Å; N143-N147 WeakPolarHBondContact O-CB 3.49Å; N143-N147 PolarHBondContact O-N 3.15Å; N143-N147 PolarHBondContact O-ND2 2.95Å
144D85Confident81.3Confident93 Ų9357.3 Ų57.350%0.49730%0.302SS..Hα-helixtrans-66.6-46.6179.7-64.2-19.3000110.8A105 E141 W146 N147 N148A105-D144 HydrophobicContact CB-CB 4.31Å; E141-D144 PolarHBondContact O-N 2.86Å; D144-W146 PolarHBondContact O-N 3.39Å; D144-N147 PolarHBondContact O-N 2.96Å; D144-N148 VanDerWaalsContact O-CB 3.29Å; D144-N148 WeakPolarHBondContact O-CB 3.26Å; D144-N148 PolarHBondContact O-N 3.2Å; D144-N148 PolarHBondContact O-ND2 3Å; D144-N148 PolarHBondContact O-OD1 3.09Å
145L88.1Confident81.6Confident8 Ų858.1 Ų58.14%0.04232%0.318CS..Hα-helixtrans-55-51.8176.5-17586.5000112F104 A105 L108 W135 E141 F149F104-L145 HydrophobicContact CB-CD1 3.55Å; A105-L145 HydrophobicContact CB-CB 4.3Å; A105-L145 HydrophobicContact CB-CD1 4.4Å; L108-L145 HydrophobicContact CD1-CD1 3.84Å; L108-L145 HydrophobicContact CD1-CG 4.42Å; W135-L145 HydrophobicContact CB-CD2 4.24Å; W135-L145 HydrophobicContact CD2-CD2 3.27Å; W135-L145 VanDerWaalsContact CE2-CD2 3.43Å; W135-L145 HydrophobicContact CE3-CD2 3.53Å; W135-L145 HydrophobicContact CG-CD2 3.61Å; W135-L145 HydrophobicContact CH2-CD2 4.04Å; W135-L145 HydrophobicContact CZ2-CD1 4.37Å; W135-L145 HydrophobicContact CZ2-CD2 3.84Å; W135-L145 HydrophobicContact CZ3-CD2 3.9Å; E141-L145 WeakPolarHBondContact O-CB 3.41Å; E141-L145 PolarHBondContact O-N 3.49Å; L145-F149 WeakPolarHBondContact O-CB 3.21Å; L145-F149 PolarHBondContact O-N 2.73Å
146W87.2Confident82Confident3 Ų359.9 Ų59.91%0.01134%0.339CS..Hα-helixtrans-66.3-46.4179.5-77.8116.8000111.4L132 W135 K142 D144 N148 F149 L150 M167 V176 L177 A180L132-W146 HydrophobicContact CD1-CH2 3.55Å; L132-W146 HydrophobicContact CD1-CZ2 3.71Å; W135-W146 HydrophobicContact CB-CZ2 4.08Å; W135-W146 HydrophobicContact CE3-CH2 4.16Å; W135-W146 HydrophobicContact CE3-CZ2 4.07Å; W135-W146 PolarHBondContact O-NE1 2.98Å; K142-W146 WeakPolarHBondContact O-CB 3.24Å; K142-W146 PolarHBondContact O-N 3.32Å; D144-W146 PolarHBondContact O-N 3.39Å; W146-N148 VanDerWaalsContact C-N 3.28Å; W146-N148 PolarHBondContact O-N 2.98Å; W146-F149 AromaticContact CE3-CD1 3.79Å; W146-F149 HydrophobicContact CE3-CD1 3.79Å; W146-F149 HydrophobicContact CE3-CE1 4.49Å; W146-F149 AromaticContact CZ3-CD1 3.61Å; W146-F149 HydrophobicContact CZ3-CD1 3.61Å; W146-F149 AromaticContact CZ3-CE1 3.91Å; W146-F149 HydrophobicContact CZ3-CE1 3.91Å; W146-F149 PolarHBondContact O-N 3.16Å; W146-L150 HydrophobicContact CB-CD1 4.2Å; W146-L150 VanDerWaalsContact O-CB 3.31Å; W146-L150 WeakPolarHBondContact O-CB 3.22Å; W146-L150 VanDerWaalsContact O-CD1 3.28Å; W146-L150 WeakPolarHBondContact O-CD1 3.27Å; W146-L150 WeakPolarHBondContact O-CG 3.49Å; W146-L150 PolarHBondContact O-N 3.2Å; W146-M167 HydrophobicContact CH2-CE 4.28Å; W146-M167 HydrophobicContact CH2-SD 4.29Å; W146-M167 HydrophobicContact CZ3-CE 4.44Å; W146-M167 HydrophobicContact CZ3-SD 4.43Å; W146-V176 HydrophobicContact CZ2-CG1 4.28Å; W146-L177 HydrophobicContact CE3-CD2 4.39Å; W146-L177 HydrophobicContact CH2-CD2 3.43Å; W146-L177 VanDerWaalsContact CH2-CD2 3.43Å; W146-L177 HydrophobicContact CZ2-CD2 4.43Å; W146-L177 HydrophobicContact CZ3-CD2 3.4Å; W146-L177 VanDerWaalsContact CZ3-CD2 3.4Å; W146-A180 HydrophobicContact CD2-CB 4.31Å; W146-A180 HydrophobicContact CG-CB 4.13Å
147N87.4Confident82.8Confident86 Ų8658.9 Ų58.946%0.4633%0.331SS..Hα-helixtrans-57.6-43179.2-71.9-23.3000111.6N143 D144 L150 T151N143-N147 WeakPolarHBondContact O-CB 3.49Å; N143-N147 PolarHBondContact O-N 3.15Å; N143-N147 PolarHBondContact O-ND2 2.95Å; D144-N147 PolarHBondContact O-N 2.96Å; N147-L150 PolarHBondContact O-N 3.32Å; N147-T151 WeakPolarHBondContact O-CB 3.27Å; N147-T151 PolarHBondContact O-N 2.74Å; N147-T151 PolarHBondContact O-OG1 2.64Å
148N90.9Very high83.6Confident37 Ų3757.2 Ų57.220%0.19833%0.331CS..Hα-helixtrans-66.5-47.2178.4-62.5-22.3000111.1A105 L108 A109 D144 W146 L150 T151 L152A105-N148 PolarHBondContact O-ND2 3.45Å; L108-N148 HydrophobicContact CB-CB 3.74Å; A109-N148 HydrophobicContact CB-CB 4.44Å; A109-N148 WeakPolarHBondContact CB-ND2 3.11Å; D144-N148 VanDerWaalsContact O-CB 3.29Å; D144-N148 WeakPolarHBondContact O-CB 3.26Å; D144-N148 PolarHBondContact O-N 3.2Å; D144-N148 PolarHBondContact O-ND2 3Å; D144-N148 PolarHBondContact O-OD1 3.09Å; W146-N148 VanDerWaalsContact C-N 3.28Å; W146-N148 PolarHBondContact O-N 2.98Å; N148-L150 VanDerWaalsContact C-N 3.33Å; N148-L150 PolarHBondContact O-N 3.25Å; N148-T151 PolarHBondContact O-N 2.9Å; N148-L152 WeakPolarHBondContact O-CG 3.42Å; N148-L152 PolarHBondContact O-N 2.75Å; N148-L152 VanDerWaalsContact O-N 3.08Å
149F92.3Very high85.2Confident3 Ų351.9 Ų51.91%0.01330%0.3CS..Hα-helixtrans-59.9-41.8175.9176.6-117.5000112.9L108 L145 W146 L152 L153 A160 L163 L164 M167L108-F149 HydrophobicContact CD1-CB 4.2Å; L145-F149 WeakPolarHBondContact O-CB 3.21Å; L145-F149 PolarHBondContact O-N 2.73Å; W146-F149 AromaticContact CE3-CD1 3.79Å; W146-F149 HydrophobicContact CE3-CD1 3.79Å; W146-F149 HydrophobicContact CE3-CE1 4.49Å; W146-F149 AromaticContact CZ3-CD1 3.61Å; W146-F149 HydrophobicContact CZ3-CD1 3.61Å; W146-F149 AromaticContact CZ3-CE1 3.91Å; W146-F149 HydrophobicContact CZ3-CE1 3.91Å; W146-F149 PolarHBondContact O-N 3.16Å; F149-L152 WeakPolarHBondContact O-CB 3.03Å; F149-L152 PolarHBondContact O-N 3.08Å; F149-L153 HydrophobicContact CD1-CD1 3.92Å; F149-L153 HydrophobicContact CE1-CD1 3.38Å; F149-L153 HydrophobicContact CE1-CG 4.22Å; F149-L153 HydrophobicContact CE2-CD1 4.23Å; F149-L153 HydrophobicContact CE2-CG 4.21Å; F149-L153 HydrophobicContact CZ-CD1 3.56Å; F149-L153 HydrophobicContact CZ-CD2 4.35Å; F149-L153 HydrophobicContact CZ-CG 3.99Å; F149-L153 PolarHBondContact O-N 3.14Å; F149-A160 HydrophobicContact CD2-CB 4.35Å; F149-A160 HydrophobicContact CE2-CB 3.9Å; F149-L163 HydrophobicContact CD2-CD2 4.15Å; F149-L163 HydrophobicContact CE2-CB 4.15Å; F149-L163 HydrophobicContact CE2-CD2 3.67Å; F149-L163 HydrophobicContact CE2-CG 4Å; F149-L163 HydrophobicContact CZ-CB 4.46Å; F149-L163 HydrophobicContact CZ-CD2 4.34Å; F149-L163 HydrophobicContact CZ-CG 4.25Å; F149-L164 HydrophobicContact CZ-CB 4.09Å; F149-M167 HydrophobicContact CE1-CE 4.26Å; F149-M167 HydrophobicContact CE1-SD 4.06Å; F149-M167 HydrophobicContact CZ-CE 4.23Å; F149-M167 HydrophobicContact CZ-SD 4.12Å
150L89.4Confident86.8Confident3 Ų348.5 Ų48.52%0.01628%0.283CS..Hα-helixtrans-72.1-34.6-178.4-62.6163.5000111.6W146 N147 N148 L152 L153 Q154 I181 I186W146-L150 HydrophobicContact CB-CD1 4.2Å; W146-L150 VanDerWaalsContact O-CB 3.31Å; W146-L150 WeakPolarHBondContact O-CB 3.22Å; W146-L150 VanDerWaalsContact O-CD1 3.28Å; W146-L150 WeakPolarHBondContact O-CD1 3.27Å; W146-L150 WeakPolarHBondContact O-CG 3.49Å; W146-L150 PolarHBondContact O-N 3.2Å; N147-L150 PolarHBondContact O-N 3.32Å; N148-L150 VanDerWaalsContact C-N 3.33Å; N148-L150 PolarHBondContact O-N 3.25Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L153 HydrophobicContact CD2-CD1 4.13Å; L150-L153 WeakPolarHBondContact O-CB 3.44Å; L150-L153 PolarHBondContact O-N 2.97Å; L150-Q154 WeakPolarHBondContact O-CG 3.49Å; L150-Q154 PolarHBondContact O-N 3.41Å; L150-I181 HydrophobicContact CD1-CD1 3.82Å; L150-I181 HydrophobicContact CD1-CG1 3.56Å; L150-I181 HydrophobicContact CD2-CD1 3.47Å; L150-I181 VanDerWaalsContact CD2-CD1 3.47Å; L150-I181 HydrophobicContact CD2-CG1 4.21Å; L150-I181 HydrophobicContact CG-CD1 4.28Å; L150-I186 HydrophobicContact CB-CD1 4.09Å; L150-I186 HydrophobicContact CB-CG2 3.9Å; L150-I186 HydrophobicContact CD1-CD1 4.42Å; L150-I186 HydrophobicContact CD1-CG2 4.06Å; L150-I186 HydrophobicContact CD2-CG2 3.56Å; L150-I186 HydrophobicContact CG-CG2 3.99Å
151T89.8Confident88.3Confident86 Ų8645.9 Ų45.953%0.52826%0.26SS..Hα-helixtrans-60.9-42.9171.2-58.90000110.8N147 N148 Q154 S155N147-T151 WeakPolarHBondContact O-CB 3.27Å; N147-T151 PolarHBondContact O-N 2.74Å; N147-T151 PolarHBondContact O-OG1 2.64Å; N148-T151 PolarHBondContact O-N 2.9Å; T151-Q154 PolarHBondContact O-N 3.09Å; T151-S155 PolarHBondContact O-N 3.14Å
152L92.8Very high89.6Confident17 Ų1746 Ų469%0.08926%0.263CS..Hα-helixtrans-64.1-39.4173.9-66.7169.5000112.3L108 N148 F149 L150 S155 N157 A160L108-L152 HydrophobicContact CB-CD1 4.16Å; L108-L152 HydrophobicContact CD2-CD1 3.67Å; N148-L152 WeakPolarHBondContact O-CG 3.42Å; N148-L152 PolarHBondContact O-N 2.75Å; N148-L152 VanDerWaalsContact O-N 3.08Å; F149-L152 WeakPolarHBondContact O-CB 3.03Å; F149-L152 PolarHBondContact O-N 3.08Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L152-S155 PolarHBondContact O-N 3.2Å; L152-S155 PolarHBondContact O-OG 3.48Å; L152-N157 HydrophobicContact CB-CB 4.19Å; L152-N157 WeakPolarHBondContact O-CB 3.49Å; L152-N157 PolarHBondContact O-N 2.95Å; L152-N157 VanDerWaalsContact O-N 3.16Å; L152-A160 HydrophobicContact CB-CB 3.99Å
153L91.2Very high90.7Very high6 Ų644.6 Ų44.63%0.03126%0.257CS..Hα-helixtrans-63.6-41174.5-79.5171.6000112.3F149 L150 S155 G156 A160 E161 L164 L190F149-L153 HydrophobicContact CD1-CD1 3.92Å; F149-L153 HydrophobicContact CE1-CD1 3.38Å; F149-L153 HydrophobicContact CE1-CG 4.22Å; F149-L153 HydrophobicContact CE2-CD1 4.23Å; F149-L153 HydrophobicContact CE2-CG 4.21Å; F149-L153 HydrophobicContact CZ-CD1 3.56Å; F149-L153 HydrophobicContact CZ-CD2 4.35Å; F149-L153 HydrophobicContact CZ-CG 3.99Å; F149-L153 PolarHBondContact O-N 3.14Å; L150-L153 HydrophobicContact CD2-CD1 4.13Å; L150-L153 WeakPolarHBondContact O-CB 3.44Å; L150-L153 PolarHBondContact O-N 2.97Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.34Å; L153-G156 PolarHBondContact O-N 3.18Å; L153-A160 VanDerWaalsContact CD2-C 3.49Å; L153-A160 HydrophobicContact CD2-CB 3.88Å; L153-A160 WeakPolarHBondContact CD2-O 3.36Å; L153-A160 HydrophobicContact CG-CB 4.04Å; L153-E161 HydrophobicContact CD2-CG 4.26Å; L153-L164 HydrophobicContact CD1-CB 4.44Å; L153-L164 HydrophobicContact CD1-CD2 3.98Å; L153-L164 HydrophobicContact CD2-CB 4.1Å; L153-L164 HydrophobicContact CD2-CD2 4.03Å; L153-L190 HydrophobicContact CD1-CD2 4.09Å
154Q88.5Confident91.5Very high94 Ų9439.6 Ų39.644%0.43923%0.23SC..Hα-helixtrans-68-28178-75.6-179.1-53.200112.9L150 T151 G156 I186L150-Q154 WeakPolarHBondContact O-CG 3.49Å; L150-Q154 PolarHBondContact O-N 3.41Å; T151-Q154 PolarHBondContact O-N 3.09Å; Q154-G156 PolarHBondContact O-N 3.34Å; Q154-I186 VanDerWaalsContact CD-CG1 3.48Å; Q154-I186 HydrophobicContact CG-CG1 4.21Å
155S90.6Very high92Very high88 Ų8837.7 Ų37.762%0.61522%0.218SC*.THydrogen-bonded Turntrans-76.5-3.9175.473.10000113.9T151 L152 L153T151-S155 PolarHBondContact O-N 3.14Å; L152-S155 PolarHBondContact O-N 3.2Å; L152-S155 PolarHBondContact O-OG 3.48Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.34Å
156G89Confident92.3Very high45 Ų4541.5 Ų41.546%0.46423%0.234SC..THydrogen-bonded Turntrans78.127.3-177.900000113.2L153 Q154 S158L153-G156 PolarHBondContact O-N 3.18Å; Q154-G156 PolarHBondContact O-N 3.34Å; G156-S158 PolarHBondContact O-N 2.87Å
157N93Very high92.7Very high10 Ų1041.3 Ų41.35%0.05323%0.234CC..  trans-66.6113.9179.8-173.9-66.2000111.8E117 L152 Q159 A160 E161E117-N157 WeakPolarHBondContact CG-ND2 3.41Å; L152-N157 HydrophobicContact CB-CB 4.19Å; L152-N157 WeakPolarHBondContact O-CB 3.49Å; L152-N157 PolarHBondContact O-N 2.95Å; L152-N157 VanDerWaalsContact O-N 3.16Å; N157-Q159 VanDerWaalsContact C-N 3.31Å; N157-Q159 PolarHBondContact O-N 3.37Å; N157-Q159 PolarHBondContact OD1-N 3.1Å; N157-A160 HydrophobicContact CB-CB 3.9Å; N157-A160 WeakPolarHBondContact O-CB 3.31Å; N157-A160 PolarHBondContact O-N 3.04Å; N157-A160 VanDerWaalsContact O-N 3.13Å; N157-A160 PolarHBondContact OD1-N 3.07Å; N157-E161 WeakPolarHBondContact O-CG 3.43Å; N157-E161 PolarHBondContact O-N 2.85Å
158S93.7Very high93.1Very high65 Ų6537.2 Ų37.246%0.45521%0.212SC..Hα-helixtrans-59.5-34.5-17665.70000114.6G156 E161 L162G156-S158 PolarHBondContact O-N 2.87Å; S158-E161 PolarHBondContact O-N 3.12Å; S158-L162 WeakPolarHBondContact O-CG 3.44Å; S158-L162 PolarHBondContact O-N 3Å
159Q95.4Very high93.4Very high47 Ų4737.9 Ų37.922%0.2222%0.217CC..Hα-helixtrans-73.3-38178.2-63.5-56.9-47.500111E117 C120 N157 E161 L162 L163E117-Q159 HydrophobicContact CB-CG 4.43Å; C120-Q159 HydrophobicContact CB-CB 3.63Å; N157-Q159 VanDerWaalsContact C-N 3.31Å; N157-Q159 PolarHBondContact O-N 3.37Å; N157-Q159 PolarHBondContact OD1-N 3.1Å; Q159-E161 VanDerWaalsContact C-N 3.34Å; Q159-L162 PolarHBondContact O-N 3.33Å; Q159-L163 WeakPolarHBondContact O-CB 3.45Å; Q159-L163 PolarHBondContact O-N 3.35Å
160A95.5Very high93.5Very high0 Ų038.7 Ų38.70%022%0.221CC..Hα-helixtrans-63.3-40.717300000111.4F149 L152 L153 N157 L163 L164F149-A160 HydrophobicContact CD2-CB 4.35Å; F149-A160 HydrophobicContact CE2-CB 3.9Å; L152-A160 HydrophobicContact CB-CB 3.99Å; L153-A160 VanDerWaalsContact CD2-C 3.49Å; L153-A160 HydrophobicContact CD2-CB 3.88Å; L153-A160 WeakPolarHBondContact CD2-O 3.36Å; L153-A160 HydrophobicContact CG-CB 4.04Å; N157-A160 HydrophobicContact CB-CB 3.9Å; N157-A160 WeakPolarHBondContact O-CB 3.31Å; N157-A160 PolarHBondContact O-N 3.04Å; N157-A160 VanDerWaalsContact O-N 3.13Å; N157-A160 PolarHBondContact OD1-N 3.07Å; A160-L163 WeakPolarHBondContact O-CB 3.43Å; A160-L163 PolarHBondContact O-N 3.33Å; A160-L164 PolarHBondContact O-N 3.15Å
161E95Very high93.7Very high62 Ų6240.7 Ų40.729%0.2923%0.234SC..Hα-helixtrans-62.3-44175.3-67-175.1175.200112.2L153 N157 S158 Q159 L163 L164 Q165 H193L153-E161 HydrophobicContact CD2-CG 4.26Å; N157-E161 WeakPolarHBondContact O-CG 3.43Å; N157-E161 PolarHBondContact O-N 2.85Å; S158-E161 PolarHBondContact O-N 3.12Å; Q159-E161 VanDerWaalsContact C-N 3.34Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L164 PolarHBondContact O-N 3.44Å; E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.42Å; E161-Q165 PolarHBondContact O-N 3.34Å; E161-H193 WeakPolarHBondContact CG-NE2 3.39Å; E161-H193 IonicContact OE1-NE2 3.64Å
162L95.4Very high93.8Very high79 Ų7937.7 Ų37.741%0.41422%0.22SC..Hα-helixtrans-63.2-41.3174.8-73.5172.1000111.4L124 S158 Q159 Q165 K166L124-L162 HydrophobicContact CD1-CB 3.75Å; S158-L162 WeakPolarHBondContact O-CG 3.44Å; S158-L162 PolarHBondContact O-N 3Å; Q159-L162 PolarHBondContact O-N 3.33Å; L162-Q165 PolarHBondContact O-N 3.24Å; L162-K166 PolarHBondContact O-N 3.5Å
163L96.2Very high93.7Very high0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-60.4-45.5175.5-179.855.6000111.2C120 L123 L124 I127 F149 Q159 A160 E161 Q165 K166 M167C120-L163 HydrophobicContact CB-CD2 4.38Å; L123-L163 HydrophobicContact CB-CD1 4.11Å; L123-L163 HydrophobicContact CB-CD2 3.73Å; L123-L163 HydrophobicContact CD1-CD2 3.9Å; L123-L163 HydrophobicContact CG-CD2 4.48Å; L124-L163 HydrophobicContact CD1-CB 4.43Å; L124-L163 HydrophobicContact CD2-CB 4.22Å; L124-L163 HydrophobicContact CD2-CD1 4.16Å; L124-L163 HydrophobicContact CG-CB 3.94Å; L124-L163 HydrophobicContact CG-CD1 4.02Å; I127-L163 HydrophobicContact CB-CD1 4.38Å; I127-L163 HydrophobicContact CD1-CD1 3.86Å; I127-L163 HydrophobicContact CG2-CD1 3.84Å; F149-L163 HydrophobicContact CD2-CD2 4.15Å; F149-L163 HydrophobicContact CE2-CB 4.15Å; F149-L163 HydrophobicContact CE2-CD2 3.67Å; F149-L163 HydrophobicContact CE2-CG 4Å; F149-L163 HydrophobicContact CZ-CB 4.46Å; F149-L163 HydrophobicContact CZ-CD2 4.34Å; F149-L163 HydrophobicContact CZ-CG 4.25Å; Q159-L163 WeakPolarHBondContact O-CB 3.45Å; Q159-L163 PolarHBondContact O-N 3.35Å; A160-L163 WeakPolarHBondContact O-CB 3.43Å; A160-L163 PolarHBondContact O-N 3.33Å; E161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q165 PolarHBondContact O-N 2.88Å; L163-K166 WeakPolarHBondContact O-CB 3.48Å; L163-K166 PolarHBondContact O-N 3.24Å; L163-M167 HydrophobicContact CD1-CE 4.04Å; L163-M167 HydrophobicContact CD2-CE 4.1Å; L163-M167 HydrophobicContact CG-CE 3.77Å; L163-M167 HydrophobicContact CG-SD 4.48Å; L163-M167 WeakPolarHBondContact O-CG 3.47Å; L163-M167 PolarHBondContact O-N 2.94Å
164L95.6Very high93.7Very high0 Ų036.8 Ų36.80%022%0.216CC..Hα-helixtrans-61.5-43.4175.4179.662.3000112.1F149 L153 A160 E161 K166 M167 F168 L177 L190 H193F149-L164 HydrophobicContact CZ-CB 4.09Å; L153-L164 HydrophobicContact CD1-CB 4.44Å; L153-L164 HydrophobicContact CD1-CD2 3.98Å; L153-L164 HydrophobicContact CD2-CB 4.1Å; L153-L164 HydrophobicContact CD2-CD2 4.03Å; A160-L164 PolarHBondContact O-N 3.15Å; E161-L164 PolarHBondContact O-N 3.44Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 2.78Å; L164-M167 WeakPolarHBondContact O-CB 3.38Å; L164-M167 PolarHBondContact O-N 3.16Å; L164-M167 VanDerWaalsContact O-N 3.16Å; L164-F168 HydrophobicContact CD1-CE1 4.12Å; L164-F168 HydrophobicContact CD1-CE2 4.05Å; L164-F168 HydrophobicContact CD1-CZ 3.74Å; L164-F168 HydrophobicContact CD2-CE2 4.1Å; L164-F168 HydrophobicContact CD2-CZ 4.2Å; L164-F168 HydrophobicContact CG-CD2 4.34Å; L164-F168 HydrophobicContact CG-CE2 3.71Å; L164-F168 HydrophobicContact CG-CZ 3.89Å; L164-F168 WeakPolarHBondContact O-CD2 3.31Å; L164-F168 PolarHBondContact O-N 3.43Å; L164-L177 HydrophobicContact CD1-CD1 3.8Å; L164-L177 HydrophobicContact CD1-CD2 4.22Å; L164-L190 HydrophobicContact CD1-CD2 3.7Å; L164-L190 HydrophobicContact CD2-CD2 3.46Å; L164-L190 VanDerWaalsContact CD2-CD2 3.46Å; L164-L190 HydrophobicContact CG-CD2 4.24Å; L164-H193 HydrophobicContact CD2-CB 3.64Å
165Q94.3Very high93.6Very high52 Ų5234.4 Ų34.424%0.24321%0.212CC..Hα-helixtrans-59.7-42.6175.5-72.2172.728.200111.3E161 L162 L163 F168E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.42Å; E161-Q165 PolarHBondContact O-N 3.34Å; L162-Q165 PolarHBondContact O-N 3.24Å; L163-Q165 PolarHBondContact O-N 2.88Å; Q165-F168 PolarHBondContact O-N 3.08Å
166K95.7Very high93.4Very high88 Ų8831.2 Ų31.238%0.38319%0.189SC..Hα-helixtrans-61.5-44.1173.9179.761176.5179.70111.4L124 I127 L162 L163 L164 F168 T169 F170L124-K166 HydrophobicContact CD2-CB 3.71Å; L124-K166 HydrophobicContact CD2-CG 4.18Å; I127-K166 HydrophobicContact CG2-CG 4.01Å; L162-K166 PolarHBondContact O-N 3.5Å; L163-K166 WeakPolarHBondContact O-CB 3.48Å; L163-K166 PolarHBondContact O-N 3.24Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 2.78Å; K166-F168 VanDerWaalsContact C-N 3.28Å; K166-F168 PolarHBondContact O-N 2.99Å; K166-T169 WeakPolarHBondContact O-CB 3.42Å; K166-T169 PolarHBondContact O-N 3.34Å; K166-T169 PolarHBondContact O-OG1 3.49Å; K166-F170 HydrophobicContact CD-CZ 4.37Å; K166-F170 HydrophobicContact CG-CZ 4.14Å
167M95.7Very high93.4Very high0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-58.9-37.1177.3-70.4169.9173.900112.8I127 L132 W135 W146 F149 L163 L164 T169 F170 S173 L177I127-M167 HydrophobicContact CD1-CE 3.33Å; I127-M167 HydrophobicContact CD1-CG 3.66Å; I127-M167 HydrophobicContact CD1-SD 4.34Å; L132-M167 HydrophobicContact CD1-SD 4.42Å; L132-M167 HydrophobicContact CD2-CB 4.29Å; L132-M167 HydrophobicContact CD2-CG 4.45Å; W135-M167 HydrophobicContact CE3-CE 4.29Å; W135-M167 HydrophobicContact CZ3-CE 3.62Å; W146-M167 HydrophobicContact CH2-CE 4.28Å; W146-M167 HydrophobicContact CH2-SD 4.29Å; W146-M167 HydrophobicContact CZ3-CE 4.44Å; W146-M167 HydrophobicContact CZ3-SD 4.43Å; F149-M167 HydrophobicContact CE1-CE 4.26Å; F149-M167 HydrophobicContact CE1-SD 4.06Å; F149-M167 HydrophobicContact CZ-CE 4.23Å; F149-M167 HydrophobicContact CZ-SD 4.12Å; L163-M167 HydrophobicContact CD1-CE 4.04Å; L163-M167 HydrophobicContact CD2-CE 4.1Å; L163-M167 HydrophobicContact CG-CE 3.77Å; L163-M167 HydrophobicContact CG-SD 4.48Å; L163-M167 WeakPolarHBondContact O-CG 3.47Å; L163-M167 PolarHBondContact O-N 2.94Å; L164-M167 WeakPolarHBondContact O-CB 3.38Å; L164-M167 PolarHBondContact O-N 3.16Å; L164-M167 VanDerWaalsContact O-N 3.16Å; M167-T169 PolarHBondContact O-N 2.91Å; M167-T169 VanDerWaalsContact O-N 3.16Å; M167-F170 WeakPolarHBondContact O-CB 3.05Å; M167-F170 PolarHBondContact O-N 2.57Å; M167-S173 WeakPolarHBondContact O-CB 3.46Å; M167-S173 PolarHBondContact O-OG 3.22Å; M167-L177 HydrophobicContact CB-CD1 4.47Å; M167-L177 HydrophobicContact SD-CD2 4.26Å
168F96.2Very high93.2Very high0 Ų028.9 Ų28.90%017%0.166CC..Hα-helixtrans-63.7-18.1176-70.1-38.8000114.3L164 Q165 K166 F170 V174 L177 H193 L194 A197 L203 H204 N207L164-F168 HydrophobicContact CD1-CE1 4.12Å; L164-F168 HydrophobicContact CD1-CE2 4.05Å; L164-F168 HydrophobicContact CD1-CZ 3.74Å; L164-F168 HydrophobicContact CD2-CE2 4.1Å; L164-F168 HydrophobicContact CD2-CZ 4.2Å; L164-F168 HydrophobicContact CG-CD2 4.34Å; L164-F168 HydrophobicContact CG-CE2 3.71Å; L164-F168 HydrophobicContact CG-CZ 3.89Å; L164-F168 WeakPolarHBondContact O-CD2 3.31Å; L164-F168 PolarHBondContact O-N 3.43Å; Q165-F168 PolarHBondContact O-N 3.08Å; K166-F168 VanDerWaalsContact C-N 3.28Å; K166-F168 PolarHBondContact O-N 2.99Å; F168-F170 VanDerWaalsContact C-N 3.26Å; F168-F170 PolarHBondContact O-N 3.19Å; F168-V174 HydrophobicContact CD1-CG2 3.8Å; F168-V174 HydrophobicContact CE1-CG2 3.99Å; F168-L177 HydrophobicContact CD1-CD1 3.93Å; F168-L177 HydrophobicContact CE1-CD1 3.56Å; F168-L177 HydrophobicContact CZ-CD1 4.43Å; F168-H193 HydrophobicContact CE2-CB 3.9Å; F168-L194 HydrophobicContact CD1-CD1 4.48Å; F168-L194 HydrophobicContact CE1-CD1 4.33Å; F168-L194 HydrophobicContact CE2-CB 4.45Å; F168-L194 HydrophobicContact CZ-CB 4.19Å; F168-L194 HydrophobicContact CZ-CD1 4.49Å; F168-A197 HydrophobicContact CB-CB 4.31Å; F168-A197 HydrophobicContact CD2-CB 3.77Å; F168-A197 HydrophobicContact CE2-CB 4.49Å; F168-A197 HydrophobicContact CG-CB 4.35Å; F168-L203 HydrophobicContact CB-CD1 3.95Å; F168-L203 HydrophobicContact CD1-CD1 4.29Å; F168-L203 HydrophobicContact CG-CD1 4.3Å; F168-H204 PolarHBondContact O-N 3.5Å; F168-N207 PolarHBondContact O-ND2 3.02Å
169T95.7Very high92.6Very high51 Ų5129.6 Ų29.631%0.31317%0.171SC..THydrogen-bonded Turntrans-76.3-13174740000113.2K166 M167 Q202 H204K166-T169 WeakPolarHBondContact O-CB 3.42Å; K166-T169 PolarHBondContact O-N 3.34Å; K166-T169 PolarHBondContact O-OG1 3.49Å; M167-T169 PolarHBondContact O-N 2.91Å; M167-T169 VanDerWaalsContact O-N 3.16Å; T169-Q202 WeakPolarHBondContact CG2-O 3.36Å; T169-H204 WeakPolarHBondContact O-CB 3.09Å; T169-H204 PolarHBondContact O-CD2 3.36Å
170F95.9Very high91.9Very high20 Ų2028.4 Ų28.49%0.08817%0.169CC..SBendtrans-86.6145.8178.5-55.3-42.3000112.1I127 H129 L132 K166 M167 F168 S173 N207I127-F170 HydrophobicContact CD1-CE2 4.3Å; I127-F170 HydrophobicContact CG1-CE2 3.95Å; I127-F170 HydrophobicContact CG2-CE2 4.18Å; I127-F170 HydrophobicContact CG2-CZ 4.18Å; H129-F170 HydrophobicContact CB-CB 4.23Å; H129-F170 HydrophobicContact CB-CD1 4.32Å; H129-F170 HydrophobicContact CB-CG 4.29Å; L132-F170 HydrophobicContact CD2-CB 4.47Å; L132-F170 HydrophobicContact CD2-CD2 3.97Å; K166-F170 HydrophobicContact CD-CZ 4.37Å; K166-F170 HydrophobicContact CG-CZ 4.14Å; M167-F170 WeakPolarHBondContact O-CB 3.05Å; M167-F170 PolarHBondContact O-N 2.57Å; F168-F170 VanDerWaalsContact C-N 3.26Å; F168-F170 PolarHBondContact O-N 3.19Å; F170-S173 PolarHBondContact O-OG 2.91Å; F170-N207 PolarHBondContact O-ND2 3.11Å
171P93.6Very high91.3Very high44 Ų4428.7 Ų28.729%0.28617%0.17SC..THydrogen-bonded Turntrans-65.3137.217824.5-31.5000111.6H129 S173 S206H129-P171 PolarHBondContact CE1-O 3.2Å; H129-P171 PolarHBondContact ND1-O 3.24Å; P171-S173 PolarHBondContact O-N 3.1Å; P171-S173 VanDerWaalsContact O-N 3.07Å; P171-S206 WeakPolarHBondContact CA-OG 3.49Å; P171-S206 VanDerWaalsContact CB-OG 3.23Å; P171-S206 WeakPolarHBondContact CB-OG 3.47Å
172G90.1Very high90.7Very high24 Ų2432.7 Ų32.725%0.24719%0.194CC..THydrogen-bonded Turntrans68.90.4176.400000116V174 A175 V176 S206 N207G172-V174 VanDerWaalsContact C-N 3.28Å; G172-V174 PolarHBondContact O-N 3.5Å; G172-A175 WeakPolarHBondContact O-CB 3.26Å; G172-A175 PolarHBondContact O-N 2.96Å; G172-A175 VanDerWaalsContact O-N 3.13Å; G172-V176 PolarHBondContact O-N 2.99Å; G172-S206 PolarHBondContact N-OG 3.39Å; G172-N207 WeakPolarHBondContact CA-OD1 3.48Å; G172-N207 PolarHBondContact N-OD1 3.43Å
173S92.2Very high90.4Very high1 Ų132.5 Ų32.51%0.00719%0.193CC..Hα-helixtrans-59.1-35.2-177.357.10000114M167 F170 P171 A175 V176 L177 N207M167-S173 WeakPolarHBondContact O-CB 3.46Å; M167-S173 PolarHBondContact O-OG 3.22Å; F170-S173 PolarHBondContact O-OG 2.91Å; P171-S173 PolarHBondContact O-N 3.1Å; P171-S173 VanDerWaalsContact O-N 3.07Å; S173-A175 VanDerWaalsContact C-N 3.29Å; S173-A175 PolarHBondContact O-N 3.22Å; S173-V176 WeakPolarHBondContact O-CB 3.24Å; S173-V176 PolarHBondContact O-N 2.84Å; S173-L177 WeakPolarHBondContact O-CB 3.48Å; S173-L177 VanDerWaalsContact O-CG 3.32Å; S173-L177 WeakPolarHBondContact O-CG 3.29Å; S173-L177 PolarHBondContact O-N 3.48Å; S173-N207 PolarHBondContact N-OD1 3.49Å; S173-N207 PolarHBondContact OG-ND2 2.83Å
174V90.8Very high90.2Very high2 Ų234.1 Ų34.11%0.01220%0.2CC..Hα-helixtrans-63-38.9178.61690000111.2F168 G172 V176 L177 F178 L194 L203 N207 L211F168-V174 HydrophobicContact CD1-CG2 3.8Å; F168-V174 HydrophobicContact CE1-CG2 3.99Å; G172-V174 VanDerWaalsContact C-N 3.28Å; G172-V174 PolarHBondContact O-N 3.5Å; V174-V176 VanDerWaalsContact C-N 3.32Å; V174-V176 PolarHBondContact O-N 3.1Å; V174-L177 PolarHBondContact O-N 3.31Å; V174-F178 HydrophobicContact CG1-CD2 3.71Å; V174-F178 HydrophobicContact CG1-CE2 3.97Å; V174-F178 WeakPolarHBondContact O-CD2 3.15Å; V174-F178 PolarHBondContact O-N 3.16Å; V174-L194 HydrophobicContact CG2-CD1 4.05Å; V174-L203 HydrophobicContact CG2-CD1 3.74Å; V174-N207 HydrophobicContact CB-CB 3.91Å; V174-N207 HydrophobicContact CG2-CB 3.66Å; V174-N207 PolarHBondContact N-OD1 2.93Å; V174-N207 VanDerWaalsContact N-OD1 3.14Å; V174-L211 HydrophobicContact CG1-CB 4.19Å; V174-L211 HydrophobicContact CG1-CD1 3.68Å; V174-L211 HydrophobicContact CG1-CG 4.47Å
175A86.1Confident90Very high44 Ų4437.7 Ų37.736%0.36422%0.219SC..Hα-helixtrans-62.9-43.9177.800000110.9G172 S173 S179 P210G172-A175 WeakPolarHBondContact O-CB 3.26Å; G172-A175 PolarHBondContact O-N 2.96Å; G172-A175 VanDerWaalsContact O-N 3.13Å; S173-A175 VanDerWaalsContact C-N 3.29Å; S173-A175 PolarHBondContact O-N 3.22Å; A175-S179 WeakPolarHBondContact O-CB 3.41Å; A175-S179 PolarHBondContact O-N 3.44Å; A175-S179 PolarHBondContact O-OG 3.34Å; A175-P210 HydrophobicContact CB-CB 3.78Å; A175-P210 HydrophobicContact CB-CG 4.49Å
176V85.9Confident89.8Confident22 Ų2236.1 Ų36.113%0.13321%0.212CC..Hα-helixtrans-60.4-56177171.10000110.3L132 S136 W146 G172 S173 V174 F178 S179 A180L132-V176 HydrophobicContact CD1-CG1 4.32Å; S136-V176 VanDerWaalsContact CB-CG1 3.41Å; W146-V176 HydrophobicContact CZ2-CG1 4.28Å; G172-V176 PolarHBondContact O-N 2.99Å; S173-V176 WeakPolarHBondContact O-CB 3.24Å; S173-V176 PolarHBondContact O-N 2.84Å; V174-V176 VanDerWaalsContact C-N 3.32Å; V174-V176 PolarHBondContact O-N 3.1Å; V176-F178 PolarHBondContact O-N 3.3Å; V176-S179 PolarHBondContact O-N 2.92Å; V176-S179 VanDerWaalsContact O-N 3.07Å; V176-S179 PolarHBondContact O-OG 2.88Å; V176-A180 PolarHBondContact O-N 3.11Å
177L89.1Confident89.6Confident0 Ų032.1 Ų32.10%020%0.195CC..Hα-helixtrans-57-50.1-176.5-72.7165.1000112W146 L164 M167 F168 S173 V174 S179 A180 I181 L190W146-L177 HydrophobicContact CE3-CD2 4.39Å; W146-L177 HydrophobicContact CH2-CD2 3.43Å; W146-L177 VanDerWaalsContact CH2-CD2 3.43Å; W146-L177 HydrophobicContact CZ2-CD2 4.43Å; W146-L177 HydrophobicContact CZ3-CD2 3.4Å; W146-L177 VanDerWaalsContact CZ3-CD2 3.4Å; L164-L177 HydrophobicContact CD1-CD1 3.8Å; L164-L177 HydrophobicContact CD1-CD2 4.22Å; M167-L177 HydrophobicContact CB-CD1 4.47Å; M167-L177 HydrophobicContact SD-CD2 4.26Å; F168-L177 HydrophobicContact CD1-CD1 3.93Å; F168-L177 HydrophobicContact CE1-CD1 3.56Å; F168-L177 HydrophobicContact CZ-CD1 4.43Å; S173-L177 WeakPolarHBondContact O-CB 3.48Å; S173-L177 VanDerWaalsContact O-CG 3.32Å; S173-L177 WeakPolarHBondContact O-CG 3.29Å; S173-L177 PolarHBondContact O-N 3.48Å; V174-L177 PolarHBondContact O-N 3.31Å; L177-S179 VanDerWaalsContact C-N 3.28Å; L177-S179 PolarHBondContact O-N 2.85Å; L177-A180 PolarHBondContact O-N 3.41Å; L177-I181 WeakPolarHBondContact O-CD1 3.32Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.16Å; L177-L190 HydrophobicContact CB-CD1 4.02Å
178F88.5Confident89.5Confident6 Ų632.2 Ų32.23%0.02620%0.195CC..Hα-helixtrans-74.6-15.8180-79.4-87.5000113.8V174 V176 Q187 L190 A191 L194 Y214 L238V174-F178 HydrophobicContact CG1-CD2 3.71Å; V174-F178 HydrophobicContact CG1-CE2 3.97Å; V174-F178 WeakPolarHBondContact O-CD2 3.15Å; V174-F178 PolarHBondContact O-N 3.16Å; V176-F178 PolarHBondContact O-N 3.3Å; F178-Q187 HydrophobicContact CD1-CB 4.36Å; F178-Q187 HydrophobicContact CD1-CG 4.18Å; F178-Q187 HydrophobicContact CE1-CB 4.19Å; F178-L190 HydrophobicContact CE1-CB 4.35Å; F178-L190 HydrophobicContact CE2-CB 4.34Å; F178-L190 HydrophobicContact CZ-CB 3.92Å; F178-A191 HydrophobicContact CZ-CB 4.26Å; F178-L194 HydrophobicContact CE2-CD2 4.17Å; F178-L194 HydrophobicContact CZ-CD2 4.36Å; F178-Y214 HydrophobicContact CB-CD1 4.47Å; F178-Y214 HydrophobicContact CB-CD2 3.92Å; F178-Y214 HydrophobicContact CB-CE1 4.28Å; F178-Y214 HydrophobicContact CB-CE2 3.71Å; F178-Y214 HydrophobicContact CB-CG 4.3Å; F178-Y214 HydrophobicContact CD1-CD1 4.11Å; F178-Y214 AromaticContact CD1-CE1 3.44Å; F178-Y214 HydrophobicContact CD1-CE1 3.44Å; F178-Y214 VanDerWaalsContact CD1-CE1 3.44Å; F178-Y214 HydrophobicContact CD1-CE2 4.22Å; F178-Y214 AromaticContact CD1-CZ 3.5Å; F178-Y214 VanDerWaalsContact CD1-CZ 3.5Å; F178-Y214 AromaticContact CE1-CE1 3.99Å; F178-Y214 HydrophobicContact CE1-CE1 3.99Å; F178-Y214 HydrophobicContact CG-CD1 4.34Å; F178-Y214 HydrophobicContact CG-CE1 4.05Å; F178-Y214 HydrophobicContact CG-CE2 4.35Å; F178-L238 HydrophobicContact CE1-CD2 4.29Å; F178-L238 HydrophobicContact CZ-CD2 3.97Å
179S82.3Confident89.3Confident80 Ų8033.9 Ų33.956%0.55921%0.206SC*.Hα-helixtrans-86.9-19.7173.371.80000113.8A175 V176 L177 I181A175-S179 WeakPolarHBondContact O-CB 3.41Å; A175-S179 PolarHBondContact O-N 3.44Å; A175-S179 PolarHBondContact O-OG 3.34Å; V176-S179 PolarHBondContact O-N 2.92Å; V176-S179 VanDerWaalsContact O-N 3.07Å; V176-S179 PolarHBondContact O-OG 2.88Å; L177-S179 VanDerWaalsContact C-N 3.28Å; L177-S179 PolarHBondContact O-N 2.85Å; S179-I181 VanDerWaalsContact C-N 3.29Å
180A80.5Confident89.2Confident22 Ų2231.5 Ų31.518%0.18219%0.191CC..SBendtrans-85.9-2.518000000113W146 V176 L177W146-A180 HydrophobicContact CD2-CB 4.31Å; W146-A180 HydrophobicContact CG-CB 4.13Å; V176-A180 PolarHBondContact O-N 3.11Å; L177-A180 PolarHBondContact O-N 3.41Å
181I82.8Confident89.2Confident5 Ų530.6 Ų30.63%0.02619%0.187CC..  trans-132118.7-166.9-55.7170.4000108.7L150 L177 S179 D183 I186 Q187 L190L150-I181 HydrophobicContact CD1-CD1 3.82Å; L150-I181 HydrophobicContact CD1-CG1 3.56Å; L150-I181 HydrophobicContact CD2-CD1 3.47Å; L150-I181 VanDerWaalsContact CD2-CD1 3.47Å; L150-I181 HydrophobicContact CD2-CG1 4.21Å; L150-I181 HydrophobicContact CG-CD1 4.28Å; L177-I181 WeakPolarHBondContact O-CD1 3.32Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.16Å; S179-I181 VanDerWaalsContact C-N 3.29Å; I181-D183 HydrophobicContact CG2-CB 4.45Å; I181-D183 WeakPolarHBondContact CG2-O 3.45Å; I181-I186 HydrophobicContact CD1-CG2 3.96Å; I181-I186 HydrophobicContact CG2-CB 3.73Å; I181-I186 HydrophobicContact CG2-CG2 3.66Å; I181-Q187 HydrophobicContact CB-CG 4.22Å; I181-Q187 HydrophobicContact CG2-CG 3.82Å; I181-Q187 PolarHBondContact O-NE2 3.46Å; I181-L190 HydrophobicContact CD1-CD1 3.22Å; I181-L190 HydrophobicContact CD1-CG 4.04Å
182D82.6Confident89.2Confident147 Ų14730.6 Ų30.679%0.78619%0.189SC*.  trans-94.6-21.4175-68.8-42.8000112.7
183D88.6Confident89.5Confident75 Ų7530.3 Ų30.340%0.40118%0.181SC..  trans-75.8123.6-179.2-176.2-61.7000112.4I181 D185 I186 Q187I181-D183 HydrophobicContact CG2-CB 4.45Å; I181-D183 WeakPolarHBondContact CG2-O 3.45Å; D183-D185 WeakPolarHBondContact OD1-CA 3.4Å; D183-D185 WeakPolarHBondContact OD1-CB 3.23Å; D183-D185 PolarHBondContact OD1-N 3.24Å; D183-I186 HydrophobicContact CB-CB 4.2Å; D183-I186 HydrophobicContact CB-CD1 3.84Å; D183-I186 HydrophobicContact CB-CG1 3.99Å; D183-I186 PolarHBondContact O-N 2.94Å; D183-I186 PolarHBondContact OD1-N 2.98Å; D183-Q187 VanDerWaalsContact O-CG 3.26Å; D183-Q187 WeakPolarHBondContact O-CG 3.43Å; D183-Q187 PolarHBondContact O-N 3.12Å
184F92.3Very high89.7Confident34 Ų3430.3 Ų30.315%0.14918%0.18CC..Hα-helixtrans-71.3-29.4-177.6-72.8-48.8000114.2S188 S230 F231 T234F184-S188 VanDerWaalsContact O-CB 3.31Å; F184-S188 WeakPolarHBondContact O-CB 3.35Å; F184-S188 PolarHBondContact O-N 2.65Å; F184-S230 WeakPolarHBondContact CB-OG 3.16Å; F184-F231 HydrophobicContact CD1-CB 4.41Å; F184-F231 AromaticContact CD1-CD2 3.99Å; F184-F231 HydrophobicContact CD1-CD2 3.99Å; F184-F231 HydrophobicContact CD2-CB 4.07Å; F184-F231 HydrophobicContact CD2-CD2 4.44Å; F184-F231 AromaticContact CE1-CD2 3.54Å; F184-F231 HydrophobicContact CE1-CD2 3.54Å; F184-F231 HydrophobicContact CE1-CE2 4.19Å; F184-F231 HydrophobicContact CE2-CB 4.28Å; F184-F231 AromaticContact CE2-CD2 3.99Å; F184-F231 HydrophobicContact CE2-CD2 3.99Å; F184-F231 HydrophobicContact CG-CB 4.17Å; F184-F231 HydrophobicContact CG-CD2 4.47Å; F184-F231 AromaticContact CZ-CD2 3.54Å; F184-F231 HydrophobicContact CZ-CD2 3.54Å; F184-F231 HydrophobicContact CZ-CE2 4.22Å; F184-T234 PolarHBondContact O-OG1 3.41Å
185D90.6Very high90Very high74 Ų7430.5 Ų30.540%0.39618%0.182SC..Hα-helixtrans-69.9-40.4176.2-82-47000110.9D183 S188 T189 S230D183-D185 WeakPolarHBondContact OD1-CA 3.4Å; D183-D185 WeakPolarHBondContact OD1-CB 3.23Å; D183-D185 PolarHBondContact OD1-N 3.24Å; D185-S188 VanDerWaalsContact O-CB 3.25Å; D185-S188 WeakPolarHBondContact O-CB 3.35Å; D185-S188 PolarHBondContact O-N 3.31Å; D185-T189 PolarHBondContact O-N 3.19Å; D185-T189 PolarHBondContact O-OG1 3.31Å; D185-T189 VanDerWaalsContact O-OG1 3.09Å; D185-S230 VanDerWaalsContact OD1-CB 3.27Å; D185-S230 WeakPolarHBondContact OD1-CB 3.49Å
186I90Very high90.4Very high19 Ų1931.6 Ų31.610%0.09718%0.182CC..Hα-helixtrans-64.4-49.4172.6-60.9178.3000110.4L150 Q154 I181 D183 S188 T189 L190L150-I186 HydrophobicContact CB-CD1 4.09Å; L150-I186 HydrophobicContact CB-CG2 3.9Å; L150-I186 HydrophobicContact CD1-CD1 4.42Å; L150-I186 HydrophobicContact CD1-CG2 4.06Å; L150-I186 HydrophobicContact CD2-CG2 3.56Å; L150-I186 HydrophobicContact CG-CG2 3.99Å; Q154-I186 VanDerWaalsContact CD-CG1 3.48Å; Q154-I186 HydrophobicContact CG-CG1 4.21Å; I181-I186 HydrophobicContact CD1-CG2 3.96Å; I181-I186 HydrophobicContact CG2-CB 3.73Å; I181-I186 HydrophobicContact CG2-CG2 3.66Å; D183-I186 HydrophobicContact CB-CB 4.2Å; D183-I186 HydrophobicContact CB-CD1 3.84Å; D183-I186 HydrophobicContact CB-CG1 3.99Å; D183-I186 PolarHBondContact O-N 2.94Å; D183-I186 PolarHBondContact OD1-N 2.98Å; I186-S188 PolarHBondContact O-N 3.12Å; I186-T189 WeakPolarHBondContact O-CA 3.15Å; I186-T189 WeakPolarHBondContact O-CB 3.12Å; I186-T189 PolarHBondContact O-N 3.4Å; I186-L190 PolarHBondContact O-N 2.9Å
187Q92.7Very high90.9Very high4 Ų430.6 Ų30.62%0.01918%0.176CC..Hα-helixtrans-57.1-34.4175.1-71.8172.27.900111.6F178 I181 D183 T189 L190 A191 Y214 T234F178-Q187 HydrophobicContact CD1-CB 4.36Å; F178-Q187 HydrophobicContact CD1-CG 4.18Å; F178-Q187 HydrophobicContact CE1-CB 4.19Å; I181-Q187 HydrophobicContact CB-CG 4.22Å; I181-Q187 HydrophobicContact CG2-CG 3.82Å; I181-Q187 PolarHBondContact O-NE2 3.46Å; D183-Q187 VanDerWaalsContact O-CG 3.26Å; D183-Q187 WeakPolarHBondContact O-CG 3.43Å; D183-Q187 PolarHBondContact O-N 3.12Å; Q187-T189 VanDerWaalsContact C-N 3.34Å; Q187-L190 PolarHBondContact O-N 3.27Å; Q187-A191 VanDerWaalsContact O-CB 3.31Å; Q187-A191 WeakPolarHBondContact O-CB 3.44Å; Q187-A191 PolarHBondContact O-N 2.86Å; Q187-Y214 PolarHBondContact NE2-OH 3.03Å; Q187-Y214 VanDerWaalsContact NE2-OH 3.15Å; Q187-Y214 PolarHBondContact OE1-OH 3.48Å; Q187-T234 HydrophobicContact CB-CG2 3.8Å
188S93Very high91.2Very high2 Ų230.8 Ų30.81%0.01418%0.177CC..Hα-helixtrans-63.4-43175.6-141.70000111.4F184 D185 I186 A191 S192 R233 T234 R237F184-S188 VanDerWaalsContact O-CB 3.31Å; F184-S188 WeakPolarHBondContact O-CB 3.35Å; F184-S188 PolarHBondContact O-N 2.65Å; D185-S188 VanDerWaalsContact O-CB 3.25Å; D185-S188 WeakPolarHBondContact O-CB 3.35Å; D185-S188 PolarHBondContact O-N 3.31Å; I186-S188 PolarHBondContact O-N 3.12Å; S188-A191 PolarHBondContact O-N 3.31Å; S188-S192 PolarHBondContact O-N 2.85Å; S188-R233 WeakPolarHBondContact OG-CB 3.39Å; S188-T234 WeakPolarHBondContact CA-OG1 3.49Å; S188-T234 WeakPolarHBondContact CB-OG1 3.5Å; S188-T234 PolarHBondContact N-OG1 3.04Å; S188-T234 PolarHBondContact OG-N 3Å; S188-T234 PolarHBondContact OG-OG1 2.89Å; S188-T234 VanDerWaalsContact OG-OG1 3.12Å; S188-R237 VanDerWaalsContact CB-NH1 3.26Å; S188-R237 VanDerWaalsContact O-CD 3.26Å; S188-R237 WeakPolarHBondContact O-CD 3.39Å; S188-R237 PolarHBondContact O-NH1 3.48Å; S188-R237 PolarHBondContact OG-NH1 2.97Å
189T92.3Very high91.6Very high36 Ų3636.2 Ų36.222%0.22120%0.197CC..Hα-helixtrans-63.8-43.9177.2-59.20000110.6D185 I186 Q187 S192 H193D185-T189 PolarHBondContact O-N 3.19Å; D185-T189 PolarHBondContact O-OG1 3.31Å; D185-T189 VanDerWaalsContact O-OG1 3.09Å; I186-T189 WeakPolarHBondContact O-CA 3.15Å; I186-T189 WeakPolarHBondContact O-CB 3.12Å; I186-T189 PolarHBondContact O-N 3.4Å; Q187-T189 VanDerWaalsContact C-N 3.34Å; T189-S192 WeakPolarHBondContact O-CB 3.47Å; T189-S192 PolarHBondContact O-N 3.01Å; T189-H193 PolarHBondContact O-N 3.41Å; T189-H193 VanDerWaalsContact O-N 3.16Å; T189-H193 PolarHBondContact O-ND1 3.25Å
190L93.6Very high92.2Very high1 Ų137.4 Ų37.41%0.00520%0.197CC..Hα-helixtrans-60.1-46.2171.9-69.9-164.8000112.5L153 L164 L177 F178 I181 I186 Q187 S192 H193 L194L153-L190 HydrophobicContact CD1-CD2 4.09Å; L164-L190 HydrophobicContact CD1-CD2 3.7Å; L164-L190 HydrophobicContact CD2-CD2 3.46Å; L164-L190 VanDerWaalsContact CD2-CD2 3.46Å; L164-L190 HydrophobicContact CG-CD2 4.24Å; L177-L190 HydrophobicContact CB-CD1 4.02Å; F178-L190 HydrophobicContact CE1-CB 4.35Å; F178-L190 HydrophobicContact CE2-CB 4.34Å; F178-L190 HydrophobicContact CZ-CB 3.92Å; I181-L190 HydrophobicContact CD1-CD1 3.22Å; I181-L190 HydrophobicContact CD1-CG 4.04Å; I186-L190 PolarHBondContact O-N 2.9Å; Q187-L190 PolarHBondContact O-N 3.27Å; L190-S192 PolarHBondContact O-N 2.91Å; L190-H193 PolarHBondContact O-N 3.23Å; L190-H193 VanDerWaalsContact O-N 3.14Å; L190-L194 WeakPolarHBondContact O-CB 3.31Å; L190-L194 PolarHBondContact O-N 3.48Å
191A95.7Very high92.8Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-63-30.6179.400000112.2F178 Q187 S188 C195 T234 R237 L238F178-A191 HydrophobicContact CZ-CB 4.26Å; Q187-A191 VanDerWaalsContact O-CB 3.31Å; Q187-A191 WeakPolarHBondContact O-CB 3.44Å; Q187-A191 PolarHBondContact O-N 2.86Å; S188-A191 PolarHBondContact O-N 3.31Å; A191-C195 PolarHBondContact O-N 3.31Å; A191-C195 PolarHBondContact O-SG 3.05Å; A191-T234 HydrophobicContact CB-CG2 4.49Å; A191-R237 HydrophobicContact CB-CB 3.56Å; A191-L238 HydrophobicContact CB-CD2 3.8Å; A191-L238 HydrophobicContact CB-CG 4.29Å
192S94Very high93.4Very high45 Ų4544.9 Ų44.932%0.31523%0.226SC..Hα-helixtrans-65.1-48.8172.1-167.30000111.4S188 T189 L190 L194 C195 N196S188-S192 PolarHBondContact O-N 2.85Å; T189-S192 WeakPolarHBondContact O-CB 3.47Å; T189-S192 PolarHBondContact O-N 3.01Å; L190-S192 PolarHBondContact O-N 2.91Å; S192-L194 VanDerWaalsContact C-N 3.33Å; S192-L194 PolarHBondContact O-N 3.08Å; S192-C195 WeakPolarHBondContact O-CB 3.35Å; S192-C195 PolarHBondContact O-N 3.45Å; S192-N196 PolarHBondContact O-N 3.46Å
193H95.2Very high94.1Very high18 Ų1838.1 Ų38.18%0.08319%0.19CC..Hα-helixtrans-64.8-37.1176.1-72.489.8000112.4E161 L164 F168 T189 L190 C195 N196 A197E161-H193 WeakPolarHBondContact CG-NE2 3.39Å; E161-H193 IonicContact OE1-NE2 3.64Å; L164-H193 HydrophobicContact CD2-CB 3.64Å; F168-H193 HydrophobicContact CE2-CB 3.9Å; T189-H193 PolarHBondContact O-N 3.41Å; T189-H193 VanDerWaalsContact O-N 3.16Å; T189-H193 PolarHBondContact O-ND1 3.25Å; L190-H193 PolarHBondContact O-N 3.23Å; L190-H193 VanDerWaalsContact O-N 3.14Å; H193-C195 VanDerWaalsContact C-N 3.34Å; H193-C195 PolarHBondContact O-N 3.23Å; H193-N196 WeakPolarHBondContact O-CA 3.35Å; H193-N196 WeakPolarHBondContact O-CB 3.46Å; H193-N196 PolarHBondContact O-N 2.8Å; H193-A197 PolarHBondContact O-N 3.3Å
194L96.6Very high94.4Very high0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-60.5-42174-178.263.9000111.6F168 V174 F178 L190 S192 N196 A197 V198 L203 L211 L238 A241F168-L194 HydrophobicContact CD1-CD1 4.48Å; F168-L194 HydrophobicContact CE1-CD1 4.33Å; F168-L194 HydrophobicContact CE2-CB 4.45Å; F168-L194 HydrophobicContact CZ-CB 4.19Å; F168-L194 HydrophobicContact CZ-CD1 4.49Å; V174-L194 HydrophobicContact CG2-CD1 4.05Å; F178-L194 HydrophobicContact CE2-CD2 4.17Å; F178-L194 HydrophobicContact CZ-CD2 4.36Å; L190-L194 WeakPolarHBondContact O-CB 3.31Å; L190-L194 PolarHBondContact O-N 3.48Å; S192-L194 VanDerWaalsContact C-N 3.33Å; S192-L194 PolarHBondContact O-N 3.08Å; L194-N196 PolarHBondContact O-N 3.06Å; L194-A197 PolarHBondContact O-N 3.26Å; L194-V198 HydrophobicContact CD1-CG2 4.41Å; L194-V198 VanDerWaalsContact O-CG2 3.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 2.98Å; L194-L203 HydrophobicContact CD1-CD1 3.71Å; L194-L203 HydrophobicContact CD1-CD2 3.84Å; L194-L203 HydrophobicContact CD1-CG 4.36Å; L194-L211 HydrophobicContact CD2-CD1 3.79Å; L194-L211 HydrophobicContact CD2-CD2 3.69Å; L194-L211 HydrophobicContact CD2-CG 4.4Å; L194-L238 HydrophobicContact CD2-CD2 3.94Å; L194-A241 HydrophobicContact CD2-CB 4.48Å; L194-A241 HydrophobicContact CG-CB 4.39Å
195C96.8Very high94.4Very high7 Ų740.2 Ų40.25%0.04720%0.2CC..Hα-helixtrans-57.3-39.5173.3-720000111.9A191 S192 H193 R199 R237 I244A191-C195 PolarHBondContact O-N 3.31Å; A191-C195 PolarHBondContact O-SG 3.05Å; S192-C195 WeakPolarHBondContact O-CB 3.35Å; S192-C195 PolarHBondContact O-N 3.45Å; H193-C195 VanDerWaalsContact C-N 3.34Å; H193-C195 PolarHBondContact O-N 3.23Å; C195-R199 WeakPolarHBondContact O-CB 3.25Å; C195-R199 PolarHBondContact O-N 3.06Å; C195-R237 PolarHBondContact SG-O 3.38Å; C195-I244 HydrophobicContact CB-CD1 4.11Å
196N95.9Very high94.6Very high67 Ų6739.1 Ų39.136%0.35820%0.198SC..Hα-helixtrans-69.8-46177.4-68.6-16.2000111.4S192 H193 L194 V198 R199 L200S192-N196 PolarHBondContact O-N 3.46Å; H193-N196 WeakPolarHBondContact O-CA 3.35Å; H193-N196 WeakPolarHBondContact O-CB 3.46Å; H193-N196 PolarHBondContact O-N 2.8Å; L194-N196 PolarHBondContact O-N 3.06Å; N196-V198 VanDerWaalsContact C-N 3.32Å; N196-V198 PolarHBondContact O-N 3.14Å; N196-R199 WeakPolarHBondContact O-CB 3.26Å; N196-R199 PolarHBondContact O-N 3.16Å; N196-R199 VanDerWaalsContact O-N 3.1Å; N196-R199 PolarHBondContact OD1-NH1 2.9Å; N196-L200 WeakPolarHBondContact O-CB 3.31Å; N196-L200 WeakPolarHBondContact O-CG 3.43Å; N196-L200 PolarHBondContact O-N 3.12Å
197A96.1Very high94.8Very high1 Ų138.2 Ų38.21%0.00819%0.194CC..Hα-helixtrans-59.1-41.4176.900000112.3F168 H193 L194 K201 Q202 L203F168-A197 HydrophobicContact CB-CB 4.31Å; F168-A197 HydrophobicContact CD2-CB 3.77Å; F168-A197 HydrophobicContact CE2-CB 4.49Å; F168-A197 HydrophobicContact CG-CB 4.35Å; H193-A197 PolarHBondContact O-N 3.3Å; L194-A197 PolarHBondContact O-N 3.26Å; A197-K201 PolarHBondContact O-N 2.84Å; A197-K201 VanDerWaalsContact O-N 3.14Å; A197-Q202 PolarHBondContact O-N 3.39Å; A197-L203 HydrophobicContact CB-CB 4.42Å; A197-L203 PolarHBondContact O-N 3.12Å
198V96.1Very high94.9Very high3 Ų338.4 Ų38.42%0.01820%0.195CC..Hα-helixtrans-64.2-47.1173.41760000110.5L194 N196 L200 K201 L203 A241 I244 A245 Y253L194-V198 HydrophobicContact CD1-CG2 4.41Å; L194-V198 VanDerWaalsContact O-CG2 3.3Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 2.98Å; N196-V198 VanDerWaalsContact C-N 3.32Å; N196-V198 PolarHBondContact O-N 3.14Å; V198-L200 VanDerWaalsContact C-N 3.3Å; V198-L200 PolarHBondContact O-N 2.95Å; V198-K201 PolarHBondContact O-N 3.49Å; V198-K201 VanDerWaalsContact O-N 3.09Å; V198-L203 HydrophobicContact CG2-CB 4.34Å; V198-L203 HydrophobicContact CG2-CD2 3.67Å; V198-A241 HydrophobicContact CG2-CB 4.49Å; V198-I244 HydrophobicContact CB-CG2 4.48Å; V198-I244 HydrophobicContact CG1-CB 3.99Å; V198-I244 HydrophobicContact CG1-CG2 3.79Å; V198-A245 HydrophobicContact CG1-CB 3.71Å; V198-Y253 HydrophobicContact CB-CE2 4.43Å; V198-Y253 HydrophobicContact CG1-CD2 3.97Å; V198-Y253 HydrophobicContact CG1-CE2 3.88Å; V198-Y253 WeakPolarHBondContact O-CE2 3.49Å
199R95.1Very high94.9Very high121 Ų12142.1 Ų42.146%0.45722%0.22SC..Hα-helixtrans-59-41.7179.3-174.7-178.3-61.999.20.8112.5C195 N196 K201 I244C195-R199 WeakPolarHBondContact O-CB 3.25Å; C195-R199 PolarHBondContact O-N 3.06Å; N196-R199 WeakPolarHBondContact O-CB 3.26Å; N196-R199 PolarHBondContact O-N 3.16Å; N196-R199 VanDerWaalsContact O-N 3.1Å; N196-R199 PolarHBondContact OD1-NH1 2.9Å; R199-K201 PolarHBondContact O-N 3.24Å; R199-I244 HydrophobicContact CB-CG2 4.06Å
200L95Very high94.9Very high105 Ų10542.3 Ų42.355%0.5522%0.222SC..THydrogen-bonded Turntrans-82.53-179.5-62.7178.2000113.4N196 V198 Q202N196-L200 WeakPolarHBondContact O-CB 3.31Å; N196-L200 WeakPolarHBondContact O-CG 3.43Å; N196-L200 PolarHBondContact O-N 3.12Å; V198-L200 VanDerWaalsContact C-N 3.3Å; V198-L200 PolarHBondContact O-N 2.95Å; L200-Q202 HydrophobicContact CB-CG 4.02Å; L200-Q202 PolarHBondContact O-N 3.34Å
201K94.8Very high95Very high102 Ų10242.3 Ų42.344%0.44322%0.222SC..THydrogen-bonded Turntrans58.632.7-178.4-57.1-179.2176.8-171.90112.9A197 V198 R199 D248 P252 Y253A197-K201 PolarHBondContact O-N 2.84Å; A197-K201 VanDerWaalsContact O-N 3.14Å; V198-K201 PolarHBondContact O-N 3.49Å; V198-K201 VanDerWaalsContact O-N 3.09Å; R199-K201 PolarHBondContact O-N 3.24Å; K201-D248 IonicContact NZ-OD2 3.29Å; K201-D248 PolarHBondContact NZ-OD2 3.18Å; K201-P252 HydrophobicContact CB-CG 4.26Å; K201-P252 HydrophobicContact CD-CG 4.45Å; K201-P252 HydrophobicContact CG-CG 4.35Å; K201-Y253 WeakPolarHBondContact CA-OH 3.29Å
202Q94.4Very high95.1Very high81 Ų8142.5 Ų42.538%0.37922%0.223SC..  trans-105-1.3-177.4-72174.1-30.300114T169 A197 L200 Y253T169-Q202 WeakPolarHBondContact CG2-O 3.36Å; A197-Q202 PolarHBondContact O-N 3.39Å; L200-Q202 HydrophobicContact CB-CG 4.02Å; L200-Q202 PolarHBondContact O-N 3.34Å; Q202-Y253 PolarHBondContact N-OH 3.15Å
203L96.4Very high95.1Very high6 Ų643.8 Ų43.83%0.03123%0.232CC..SBendtrans-81.5133.1173.9-17968.3000109.5F168 V174 L194 A197 V198 N205 N207 L208 Y253F168-L203 HydrophobicContact CB-CD1 3.95Å; F168-L203 HydrophobicContact CD1-CD1 4.29Å; F168-L203 HydrophobicContact CG-CD1 4.3Å; V174-L203 HydrophobicContact CG2-CD1 3.74Å; L194-L203 HydrophobicContact CD1-CD1 3.71Å; L194-L203 HydrophobicContact CD1-CD2 3.84Å; L194-L203 HydrophobicContact CD1-CG 4.36Å; A197-L203 HydrophobicContact CB-CB 4.42Å; A197-L203 PolarHBondContact O-N 3.12Å; V198-L203 HydrophobicContact CG2-CB 4.34Å; V198-L203 HydrophobicContact CG2-CD2 3.67Å; L203-N205 PolarHBondContact O-N 2.92Å; L203-N207 HydrophobicContact CD1-CB 3.78Å; L203-N207 HydrophobicContact CD2-CB 4.31Å; L203-N207 HydrophobicContact CG-CB 4.07Å; L203-L208 HydrophobicContact CD2-CD2 3.97Å; L203-Y253 HydrophobicContact CB-CE1 4.24Å; L203-Y253 WeakPolarHBondContact CB-OH 3.4Å; L203-Y253 PolarHBondContact N-OH 3.2Å; L203-Y253 VanDerWaalsContact O-CE1 3.28Å; L203-Y253 WeakPolarHBondContact O-CE1 3.43Å; L203-Y253 PolarHBondContact O-OH 3.35Å; L203-Y253 VanDerWaalsContact O-OH 3.14Å
204H95.6Very high95.1Very high77 Ų7744.6 Ų44.636%0.35623%0.234SC..  trans-65.6132171.8-167-86.9000111.4F168 T169 S206 N207F168-H204 PolarHBondContact O-N 3.5Å; T169-H204 WeakPolarHBondContact O-CB 3.09Å; T169-H204 PolarHBondContact O-CD2 3.36Å; H204-S206 PolarHBondContact CE1-OG 3.49Å; H204-S206 PolarHBondContact ND1-N 2.98Å; H204-S206 PolarHBondContact ND1-OG 2.9Å; H204-S206 PolarHBondContact O-N 3.29Å; H204-S206 VanDerWaalsContact O-N 3.11Å; H204-N207 VanDerWaalsContact O-CB 3.27Å; H204-N207 WeakPolarHBondContact O-CB 3.37Å; H204-N207 PolarHBondContact O-N 3.25Å; H204-N207 PolarHBondContact O-ND2 3.35Å
205N93.2Very high95.1Very high76 Ų7644.6 Ų44.641%0.40623%0.234SC..G310 helixtrans-55.6-34.4-174.6-78.6-2.8000114.2L203 N207 L208 P252 Y253L203-N205 PolarHBondContact O-N 2.92Å; N205-N207 PolarHBondContact O-N 2.85Å; N205-N207 VanDerWaalsContact O-N 3.1Å; N205-L208 PolarHBondContact O-N 2.81Å; N205-P252 PolarHBondContact ND2-O 2.88Å; N205-P252 VanDerWaalsContact ND2-O 3.08Å; N205-P252 PolarHBondContact OD1-O 2.86Å; N205-Y253 WeakPolarHBondContact OD1-CD1 3.05Å; N205-Y253 WeakPolarHBondContact OD1-CE1 3.27Å
206S93.2Very high95.1Very high51 Ų5146.6 Ų46.636%0.35725%0.248SC..G310 helixtrans-64.4-13.217970.80000113.9P171 G172 H204 P210P171-S206 WeakPolarHBondContact CA-OG 3.49Å; P171-S206 VanDerWaalsContact CB-OG 3.23Å; P171-S206 WeakPolarHBondContact CB-OG 3.47Å; G172-S206 PolarHBondContact N-OG 3.39Å; H204-S206 PolarHBondContact CE1-OG 3.49Å; H204-S206 PolarHBondContact ND1-N 2.98Å; H204-S206 PolarHBondContact ND1-OG 2.9Å; H204-S206 PolarHBondContact O-N 3.29Å; H204-S206 VanDerWaalsContact O-N 3.11Å; S206-P210 WeakPolarHBondContact O-CD 3.47Å
207N95.3Very high95.1Very high0 Ų049.7 Ų49.70%026%0.259CS..G310 helixtrans-77.8-18.4177.2-73.7-44000113.8F168 F170 G172 S173 V174 L203 H204 N205 P210 L211F168-N207 PolarHBondContact O-ND2 3.02Å; F170-N207 PolarHBondContact O-ND2 3.11Å; G172-N207 WeakPolarHBondContact CA-OD1 3.48Å; G172-N207 PolarHBondContact N-OD1 3.43Å; S173-N207 PolarHBondContact N-OD1 3.49Å; S173-N207 PolarHBondContact OG-ND2 2.83Å; V174-N207 HydrophobicContact CB-CB 3.91Å; V174-N207 HydrophobicContact CG2-CB 3.66Å; V174-N207 PolarHBondContact N-OD1 2.93Å; V174-N207 VanDerWaalsContact N-OD1 3.14Å; L203-N207 HydrophobicContact CD1-CB 3.78Å; L203-N207 HydrophobicContact CD2-CB 4.31Å; L203-N207 HydrophobicContact CG-CB 4.07Å; H204-N207 VanDerWaalsContact O-CB 3.27Å; H204-N207 WeakPolarHBondContact O-CB 3.37Å; H204-N207 PolarHBondContact O-N 3.25Å; H204-N207 PolarHBondContact O-ND2 3.35Å; N205-N207 PolarHBondContact O-N 2.85Å; N205-N207 VanDerWaalsContact O-N 3.1Å; N207-P210 WeakPolarHBondContact O-CD 3.14Å; N207-L211 VanDerWaalsContact O-CB 3.31Å; N207-L211 WeakPolarHBondContact O-CB 3.09Å; N207-L211 PolarHBondContact O-N 3.39Å; N207-L211 VanDerWaalsContact O-N 3.11Å
208L94.9Very high95.1Very high7 Ų749.9 Ų49.94%0.03726%0.259CS..Hα-helixtrans-67.7-44.9-176.1-66.6170.8000112.4L203 N205 L211 V212 A245 Y253 I256L203-L208 HydrophobicContact CD2-CD2 3.97Å; N205-L208 PolarHBondContact O-N 2.81Å; L208-L211 WeakPolarHBondContact O-CB 3.32Å; L208-L211 PolarHBondContact O-N 3.4Å; L208-V212 WeakPolarHBondContact O-CG2 3.33Å; L208-V212 PolarHBondContact O-N 3.18Å; L208-A245 HydrophobicContact CD2-CB 4.44Å; L208-Y253 HydrophobicContact CD1-CD1 3.7Å; L208-Y253 HydrophobicContact CD1-CG 4.01Å; L208-Y253 HydrophobicContact CG-CD1 4.45Å; L208-I256 HydrophobicContact CB-CD1 3.91Å; L208-I256 HydrophobicContact CB-CG1 4.32Å; L208-I256 HydrophobicContact CD1-CB 4.18Å; L208-I256 HydrophobicContact CD1-CG1 4.48Å
209C93.3Very high95.2Very high80 Ų8050.1 Ų50.154%0.54126%0.261SS..Hα-helixtrans-63.3-48.8-179.9-71.40000112.8L211 V212 S213C209-L211 PolarHBondContact O-N 3.16Å; C209-V212 WeakPolarHBondContact O-CB 3.43Å; C209-V212 PolarHBondContact O-N 2.72Å; C209-V212 VanDerWaalsContact O-N 3.1Å; C209-S213 PolarHBondContact O-N 3.25Å; C209-S213 VanDerWaalsContact O-N 3.16Å
210P92.5Very high95.3Very high41 Ų4148.7 Ų48.727%0.26627%0.269SS..Hα-helixtrans-58-35.5172.1-24.733.3000113.4A175 S206 N207 V212 S213 Y214A175-P210 HydrophobicContact CB-CB 3.78Å; A175-P210 HydrophobicContact CB-CG 4.49Å; S206-P210 WeakPolarHBondContact O-CD 3.47Å; N207-P210 WeakPolarHBondContact O-CD 3.14Å; P210-V212 VanDerWaalsContact C-N 3.33Å; P210-V212 PolarHBondContact O-N 3.29Å; P210-S213 WeakPolarHBondContact O-CB 3.19Å; P210-S213 PolarHBondContact O-N 2.98Å; P210-Y214 PolarHBondContact O-N 3.42Å
211L95Very high95.4Very high1 Ų149.6 Ų49.61%0.00527%0.266CS..Hα-helixtrans-66-35176.1-171.869000112.3V174 L194 N207 L208 C209 Y214 L215 L238 F242V174-L211 HydrophobicContact CG1-CB 4.19Å; V174-L211 HydrophobicContact CG1-CD1 3.68Å; V174-L211 HydrophobicContact CG1-CG 4.47Å; L194-L211 HydrophobicContact CD2-CD1 3.79Å; L194-L211 HydrophobicContact CD2-CD2 3.69Å; L194-L211 HydrophobicContact CD2-CG 4.4Å; N207-L211 VanDerWaalsContact O-CB 3.31Å; N207-L211 WeakPolarHBondContact O-CB 3.09Å; N207-L211 PolarHBondContact O-N 3.39Å; N207-L211 VanDerWaalsContact O-N 3.11Å; L208-L211 WeakPolarHBondContact O-CB 3.32Å; L208-L211 PolarHBondContact O-N 3.4Å; C209-L211 PolarHBondContact O-N 3.16Å; L211-Y214 PolarHBondContact O-N 3.4Å; L211-L215 WeakPolarHBondContact O-CB 3.47Å; L211-L215 PolarHBondContact O-N 2.82Å; L211-L238 HydrophobicContact CD1-CD2 3.87Å; L211-F242 HydrophobicContact CB-CZ 3.88Å; L211-F242 HydrophobicContact CD2-CE1 4.05Å; L211-F242 HydrophobicContact CD2-CE2 3.87Å; L211-F242 HydrophobicContact CD2-CZ 3.55Å; L211-F242 HydrophobicContact CG-CE1 4.46Å; L211-F242 HydrophobicContact CG-CE2 3.86Å; L211-F242 HydrophobicContact CG-CZ 3.56Å
212V97.3Very high95.6Very high4 Ų444.8 Ų44.82%0.02425%0.245CC..Hα-helixtrans-62.7-45.6172.4175.80000109.8L208 C209 P210 Y214 L215 S216 F242 I256 L262L208-V212 WeakPolarHBondContact O-CG2 3.33Å; L208-V212 PolarHBondContact O-N 3.18Å; C209-V212 WeakPolarHBondContact O-CB 3.43Å; C209-V212 PolarHBondContact O-N 2.72Å; C209-V212 VanDerWaalsContact O-N 3.1Å; P210-V212 VanDerWaalsContact C-N 3.33Å; P210-V212 PolarHBondContact O-N 3.29Å; V212-Y214 VanDerWaalsContact C-N 3.3Å; V212-Y214 PolarHBondContact O-N 2.94Å; V212-L215 WeakPolarHBondContact O-CB 3.46Å; V212-L215 PolarHBondContact O-N 2.61Å; V212-S216 PolarHBondContact O-N 3.22Å; V212-S216 PolarHBondContact O-OG 3.32Å; V212-F242 HydrophobicContact CB-CZ 4.42Å; V212-F242 HydrophobicContact CG2-CE1 3.74Å; V212-F242 HydrophobicContact CG2-CZ 3.65Å; V212-I256 HydrophobicContact CG2-CD1 4.04Å; V212-L262 HydrophobicContact CG1-CB 4.02Å; V212-L262 HydrophobicContact CG2-CB 4.02Å; V212-L262 HydrophobicContact CG2-CD1 4.24Å; V212-L262 HydrophobicContact CG2-CD2 4.36Å; V212-L262 HydrophobicContact CG2-CG 4.43Å
213S95.4Very high95.7Very high72 Ų7245.4 Ų45.450%0.50325%0.25SS..Hα-helixtrans-61.1-39.5176.4-59.70000112.2C209 P210 S216 K217C209-S213 PolarHBondContact O-N 3.25Å; C209-S213 VanDerWaalsContact O-N 3.16Å; P210-S213 WeakPolarHBondContact O-CB 3.19Å; P210-S213 PolarHBondContact O-N 2.98Å; S213-S216 PolarHBondContact O-N 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.26Å; S213-K217 PolarHBondContact O-N 2.97Å; S213-K217 VanDerWaalsContact O-N 3.12Å
214Y94.8Very high95.7Very high34 Ų3451.2 Ų51.213%0.13328%0.282CS..Hα-helixtrans-66.1-44.1175.3-176.2-98000111.9F178 Q187 P210 L211 V212 S216 K217 M218 L238F178-Y214 HydrophobicContact CB-CD1 4.47Å; F178-Y214 HydrophobicContact CB-CD2 3.92Å; F178-Y214 HydrophobicContact CB-CE1 4.28Å; F178-Y214 HydrophobicContact CB-CE2 3.71Å; F178-Y214 HydrophobicContact CB-CG 4.3Å; F178-Y214 HydrophobicContact CD1-CD1 4.11Å; F178-Y214 AromaticContact CD1-CE1 3.44Å; F178-Y214 HydrophobicContact CD1-CE1 3.44Å; F178-Y214 VanDerWaalsContact CD1-CE1 3.44Å; F178-Y214 HydrophobicContact CD1-CE2 4.22Å; F178-Y214 AromaticContact CD1-CZ 3.5Å; F178-Y214 VanDerWaalsContact CD1-CZ 3.5Å; F178-Y214 AromaticContact CE1-CE1 3.99Å; F178-Y214 HydrophobicContact CE1-CE1 3.99Å; F178-Y214 HydrophobicContact CG-CD1 4.34Å; F178-Y214 HydrophobicContact CG-CE1 4.05Å; F178-Y214 HydrophobicContact CG-CE2 4.35Å; Q187-Y214 PolarHBondContact NE2-OH 3.03Å; Q187-Y214 VanDerWaalsContact NE2-OH 3.15Å; Q187-Y214 PolarHBondContact OE1-OH 3.48Å; P210-Y214 PolarHBondContact O-N 3.42Å; L211-Y214 PolarHBondContact O-N 3.4Å; V212-Y214 VanDerWaalsContact C-N 3.3Å; V212-Y214 PolarHBondContact O-N 2.94Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-S216 PolarHBondContact O-N 2.77Å; Y214-K217 WeakPolarHBondContact O-CB 3.33Å; Y214-K217 PolarHBondContact O-N 2.94Å; Y214-K217 VanDerWaalsContact O-N 3.12Å; Y214-M218 HydrophobicContact CD1-CG 4.29Å; Y214-M218 HydrophobicContact CD1-SD 4.23Å; Y214-M218 HydrophobicContact CE1-CG 3.83Å; Y214-M218 HydrophobicContact CE1-SD 3.53Å; Y214-M218 VanDerWaalsContact CE1-SD 3.53Å; Y214-M218 PolarHBondContact O-N 3.14Å; Y214-L238 HydrophobicContact CD1-CD1 3.68Å; Y214-L238 HydrophobicContact CE1-CD1 3.69Å
215L97.1Very high95.8Very high0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-56.3-48.2174-17867.8000110.5L211 V212 K217 M218 V219 L235 L238 V239 F242 L262 A265 I269L211-L215 WeakPolarHBondContact O-CB 3.47Å; L211-L215 PolarHBondContact O-N 2.82Å; V212-L215 WeakPolarHBondContact O-CB 3.46Å; V212-L215 PolarHBondContact O-N 2.61Å; L215-K217 VanDerWaalsContact C-N 3.28Å; L215-K217 PolarHBondContact O-N 3.4Å; L215-M218 CarbonylContact O-C 3.31Å; L215-M218 WeakPolarHBondContact O-CA 3.35Å; L215-M218 WeakPolarHBondContact O-CB 3.5Å; L215-M218 PolarHBondContact O-N 3.02Å; L215-V219 HydrophobicContact CG-CG2 4.45Å; L215-V219 VanDerWaalsContact O-CG2 3.23Å; L215-V219 WeakPolarHBondContact O-CG2 3.09Å; L215-V219 PolarHBondContact O-N 3.16Å; L215-L235 HydrophobicContact CD1-CD1 3.6Å; L215-L238 HydrophobicContact CD1-CB 4.17Å; L215-L238 HydrophobicContact CD1-CD1 4.48Å; L215-V239 HydrophobicContact CD1-CG2 4.19Å; L215-F242 HydrophobicContact CB-CE2 4.22Å; L215-F242 HydrophobicContact CD2-CD2 3.98Å; L215-F242 HydrophobicContact CD2-CE2 3.82Å; L215-L262 HydrophobicContact CD2-CD1 3.66Å; L215-A265 HydrophobicContact CD2-CB 4.3Å; L215-I269 HydrophobicContact CD1-CD1 4.04Å; L215-I269 HydrophobicContact CG-CD1 4.43Å
216S96.9Very high95.9Very high49 Ų4946.6 Ų46.634%0.34326%0.261SS..Hα-helixtrans-57.9-38.3177.1-61.10000112.9V212 S213 Y214 V219 S220V212-S216 PolarHBondContact O-N 3.22Å; V212-S216 PolarHBondContact O-OG 3.32Å; S213-S216 PolarHBondContact O-N 3.29Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-S216 PolarHBondContact O-N 2.77Å; S216-V219 PolarHBondContact O-N 3.05Å; S216-S220 PolarHBondContact O-N 3.32Å
217K95.3Very high96Very high132 Ų13250.3 Ų50.357%0.57427%0.273SS*.Hα-helixtrans-63.3-43.5172.6-70.1175.8-178.8-177.50111.4S213 Y214 L215 V219 S220 R221S213-K217 WeakPolarHBondContact O-CG 3.26Å; S213-K217 PolarHBondContact O-N 2.97Å; S213-K217 VanDerWaalsContact O-N 3.12Å; Y214-K217 WeakPolarHBondContact O-CB 3.33Å; Y214-K217 PolarHBondContact O-N 2.94Å; Y214-K217 VanDerWaalsContact O-N 3.12Å; L215-K217 VanDerWaalsContact C-N 3.28Å; L215-K217 PolarHBondContact O-N 3.4Å; K217-V219 VanDerWaalsContact C-N 3.34Å; K217-V219 PolarHBondContact O-N 3.48Å; K217-S220 PolarHBondContact O-N 2.95Å; K217-S220 PolarHBondContact O-OG 3.42Å; K217-R221 PolarHBondContact O-N 3.15Å
218M95.9Very high96.1Very high5 Ų553.1 Ų53.13%0.02529%0.288CS..Hα-helixtrans-61.5-41.6173.8-67-166.176.200111.8Y214 L215 S220 R221 L222 F231 T234 L235 L238Y214-M218 HydrophobicContact CD1-CG 4.29Å; Y214-M218 HydrophobicContact CD1-SD 4.23Å; Y214-M218 HydrophobicContact CE1-CG 3.83Å; Y214-M218 HydrophobicContact CE1-SD 3.53Å; Y214-M218 VanDerWaalsContact CE1-SD 3.53Å; Y214-M218 PolarHBondContact O-N 3.14Å; L215-M218 CarbonylContact O-C 3.31Å; L215-M218 WeakPolarHBondContact O-CA 3.35Å; L215-M218 WeakPolarHBondContact O-CB 3.5Å; L215-M218 PolarHBondContact O-N 3.02Å; M218-S220 PolarHBondContact O-N 3.16Å; M218-R221 CarbonylContact O-C 3.6Å; M218-R221 WeakPolarHBondContact O-CA 3.45Å; M218-R221 PolarHBondContact O-N 2.83Å; M218-L222 PolarHBondContact O-N 3.49Å; M218-L222 VanDerWaalsContact O-N 3.08Å; M218-F231 HydrophobicContact CB-CE2 4.37Å; M218-F231 HydrophobicContact CB-CZ 4.3Å; M218-F231 HydrophobicContact CE-CD2 3.76Å; M218-F231 HydrophobicContact CE-CE2 3.58Å; M218-F231 HydrophobicContact CE-CG 4.4Å; M218-F231 HydrophobicContact CE-CZ 4.06Å; M218-F231 WeakPolarHBondContact O-CZ 3.48Å; M218-T234 HydrophobicContact CE-CG2 3.8Å; M218-T234 HydrophobicContact SD-CG2 4.09Å; M218-L235 HydrophobicContact CB-CD1 4.11Å; M218-L235 HydrophobicContact CE-CB 4.13Å; M218-L238 HydrophobicContact SD-CD1 3.43Å; M218-L238 WeakPolarHBondContact SD-CD1 3.26Å
219V97.9Very high96.1Very high9 Ų957.3 Ų57.36%0.05531%0.307CS..Hα-helixtrans-56-39.1176.8-176.60000111.7L215 S216 K217 R221 L222 A265 D268 I269 Q272L215-V219 HydrophobicContact CG-CG2 4.45Å; L215-V219 VanDerWaalsContact O-CG2 3.23Å; L215-V219 WeakPolarHBondContact O-CG2 3.09Å; L215-V219 PolarHBondContact O-N 3.16Å; S216-V219 PolarHBondContact O-N 3.05Å; K217-V219 VanDerWaalsContact C-N 3.34Å; K217-V219 PolarHBondContact O-N 3.48Å; V219-R221 PolarHBondContact O-N 3.03Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 PolarHBondContact O-N 3.47Å; V219-A265 HydrophobicContact CG2-CB 4.15Å; V219-D268 HydrophobicContact CG1-CB 3.74Å; V219-I269 HydrophobicContact CB-CG1 4.3Å; V219-I269 HydrophobicContact CG1-CG1 4.11Å; V219-I269 HydrophobicContact CG2-CD1 3.7Å; V219-I269 HydrophobicContact CG2-CG1 3.42Å; V219-I269 VanDerWaalsContact CG2-CG1 3.42Å; V219-Q272 PolarHBondContact O-NE2 3.28Å; V219-Q272 VanDerWaalsContact O-NE2 3.15Å
220S97.1Very high96.1Very high90 Ų9054.3 Ų54.363%0.62929%0.287SS*.Hα-helixtrans-68.1-21.317771.30000114.2S216 K217 M218S216-S220 PolarHBondContact O-N 3.32Å; K217-S220 PolarHBondContact O-N 2.95Å; K217-S220 PolarHBondContact O-OG 3.42Å; M218-S220 PolarHBondContact O-N 3.16Å
221R97.3Very high96.4Very high125 Ų12552.3 Ų52.347%0.47227%0.274SS..Hα-helixtrans-97.6-5.5178.9-64.5178.4-178.9-174.6-2.2113.1K217 M218 V219 N223 D224 N225 F231K217-R221 PolarHBondContact O-N 3.15Å; M218-R221 CarbonylContact O-C 3.6Å; M218-R221 WeakPolarHBondContact O-CA 3.45Å; M218-R221 PolarHBondContact O-N 2.83Å; V219-R221 PolarHBondContact O-N 3.03Å; R221-N223 VanDerWaalsContact C-N 3.32Å; R221-N223 PolarHBondContact O-N 3.34Å; R221-D224 PolarHBondContact O-N 2.94Å; R221-N225 PolarHBondContact O-N 2.98Å; R221-N225 VanDerWaalsContact O-N 3.12Å; R221-N225 PolarHBondContact O-ND2 3.36Å; R221-F231 HydrophobicContact CB-CE2 4.06Å; R221-F231 HydrophobicContact CB-CZ 4.27Å
222L98.2Very high96.5Very high0 Ų052.3 Ų52.30%027%0.274CS..THydrogen-bonded Turntrans-62.1-37.6-173.4170.860.2000112.3M218 V219 D224 N225 C226 F231 L232 L235 I269 Q272 I273 F276M218-L222 PolarHBondContact O-N 3.49Å; M218-L222 VanDerWaalsContact O-N 3.08Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 PolarHBondContact O-N 3.47Å; L222-D224 PolarHBondContact O-N 3.38Å; L222-N225 CarbonylContact O-C 3.56Å; L222-N225 PolarHBondContact O-N 3.2Å; L222-C226 WeakPolarHBondContact O-CA 3.48Å; L222-C226 VanDerWaalsContact O-CB 3.29Å; L222-C226 WeakPolarHBondContact O-CB 3.41Å; L222-C226 PolarHBondContact O-N 2.89Å; L222-F231 HydrophobicContact CB-CE1 4.11Å; L222-F231 HydrophobicContact CB-CZ 4.24Å; L222-F231 HydrophobicContact CD1-CD1 4.49Å; L222-F231 HydrophobicContact CD1-CE1 3.72Å; L222-L232 HydrophobicContact CD1-CD2 3.88Å; L222-L235 HydrophobicContact CD1-CD2 3.92Å; L222-L235 HydrophobicContact CD2-CD2 4.24Å; L222-I269 HydrophobicContact CD2-CG2 4.22Å; L222-Q272 HydrophobicContact CD2-CB 3.82Å; L222-I273 HydrophobicContact CD2-CG2 4.3Å; L222-F276 HydrophobicContact CD1-CE2 4.22Å; L222-F276 HydrophobicContact CD2-CE2 4.31Å; L222-F276 HydrophobicContact CG-CE2 3.89Å; L222-F276 HydrophobicContact CG-CZ 4.39Å
223N97Very high96.4Very high94 Ų9456.3 Ų56.350%0.50329%0.289SS..THydrogen-bonded Turntrans-61.6-44.4176.9-174.173000112.6R221 N225 C226 F276R221-N223 VanDerWaalsContact C-N 3.32Å; R221-N223 PolarHBondContact O-N 3.34Å; N223-N225 VanDerWaalsContact C-N 3.26Å; N223-N225 PolarHBondContact O-N 3.26Å; N223-C226 PolarHBondContact O-SG 2.84Å; N223-C226 VanDerWaalsContact O-SG 3.35Å; N223-F276 HydrophobicContact CB-CZ 4.33Å
224D97.4Very high96.4Very high129 Ų12952.9 Ų52.969%0.6927%0.265SS*.THydrogen-bonded Turntrans-74.6-19.3-178.2-55.6-24.9000112.6R221 L222R221-D224 PolarHBondContact O-N 2.94Å; L222-D224 PolarHBondContact O-N 3.38Å
225N97Very high96.5Very high35 Ų3551.3 Ų51.319%0.18726%0.259CS..THydrogen-bonded Turntrans-119.526.8-178.3-60.2-88.3000111.3R221 L222 N223 E227 D228 F231R221-N225 PolarHBondContact O-N 2.98Å; R221-N225 VanDerWaalsContact O-N 3.12Å; R221-N225 PolarHBondContact O-ND2 3.36Å; L222-N225 CarbonylContact O-C 3.56Å; L222-N225 PolarHBondContact O-N 3.2Å; N223-N225 VanDerWaalsContact C-N 3.26Å; N223-N225 PolarHBondContact O-N 3.26Å; N225-E227 PolarHBondContact O-N 2.85Å; N225-E227 VanDerWaalsContact O-N 3.16Å; N225-D228 HydrophobicContact CB-CB 4.11Å; N225-D228 PolarHBondContact O-N 3Å; N225-F231 HydrophobicContact CB-CB 3.98Å; N225-F231 HydrophobicContact CB-CD1 3.61Å; N225-F231 HydrophobicContact CB-CD2 3.74Å; N225-F231 HydrophobicContact CB-CE1 4.01Å; N225-F231 HydrophobicContact CB-CE2 4.1Å; N225-F231 HydrophobicContact CB-CG 3.48Å; N225-F231 VanDerWaalsContact CB-CG 3.48Å; N225-F231 HydrophobicContact CB-CZ 4.23Å
226C96.5Very high96.5Very high21 Ų2154.4 Ų54.414%0.14227%0.27CS..THydrogen-bonded Turntrans-68.2-17.1-168.662.70000113.7L222 N223 F276 I283 Y284L222-C226 WeakPolarHBondContact O-CA 3.48Å; L222-C226 VanDerWaalsContact O-CB 3.29Å; L222-C226 WeakPolarHBondContact O-CB 3.41Å; L222-C226 PolarHBondContact O-N 2.89Å; N223-C226 PolarHBondContact O-SG 2.84Å; N223-C226 VanDerWaalsContact O-SG 3.35Å; C226-F276 HydrophobicContact CB-CD2 4.02Å; C226-F276 HydrophobicContact CB-CE1 4.43Å; C226-F276 HydrophobicContact CB-CE2 3.65Å; C226-F276 HydrophobicContact CB-CZ 3.91Å; C226-I283 WeakPolarHBondContact O-CD1 3.25Å; C226-Y284 WeakPolarHBondContact O-CE2 3.14Å; C226-Y284 VanDerWaalsContact O-CZ 3.26Å; C226-Y284 PolarHBondContact O-OH 2.91Å
227E95.2Very high96.5Very high128 Ų12855.2 Ų55.260%0.59827%0.266SS*.THydrogen-bonded Turntrans-117.51.3174.9-63.7-175.996.400112.8N225 E229 I281 I283N225-E227 PolarHBondContact O-N 2.85Å; N225-E227 VanDerWaalsContact O-N 3.16Å; E227-E229 PolarHBondContact O-N 3.09Å; E227-I281 HydrophobicContact CG-CG2 4.04Å; E227-I283 HydrophobicContact CB-CD1 4.5Å; E227-I283 HydrophobicContact CG-CD1 4.23Å
228D96.2Very high96.6Very high59 Ų5949 Ų4932%0.31624%0.239SC..  trans-72.3114.7177.9-176.7-60.5000110.4N225 S230 F231 L232N225-D228 HydrophobicContact CB-CB 4.11Å; N225-D228 PolarHBondContact O-N 3Å; D228-S230 PolarHBondContact O-N 3.04Å; D228-S230 WeakPolarHBondContact OD1-CA 3.42Å; D228-S230 PolarHBondContact OD1-N 2.77Å; D228-S230 PolarHBondContact OD1-OG 2.62Å; D228-F231 HydrophobicContact CB-CB 3.83Å; D228-F231 PolarHBondContact O-N 2.89Å; D228-F231 WeakPolarHBondContact OD1-CB 3.08Å; D228-F231 PolarHBondContact OD1-N 3.18Å; D228-L232 WeakPolarHBondContact O-CB 3.43Å; D228-L232 WeakPolarHBondContact O-CG 3.25Å; D228-L232 PolarHBondContact O-N 3.44Å
229E95.1Very high96.8Very high95 Ų9548.7 Ų48.744%0.44424%0.238SC..Hα-helixtrans-62.5-42.4-174.7-60-161.3175.300113.3E227 L232 R233 P301E227-E229 PolarHBondContact O-N 3.09Å; E229-L232 PolarHBondContact O-N 3.13Å; E229-R233 WeakPolarHBondContact O-CB 3.48Å; E229-R233 WeakPolarHBondContact O-CG 3.35Å; E229-R233 PolarHBondContact O-N 3.23Å; E229-R233 IonicContact OE2-CZ 2.98Å; E229-R233 IonicContact OE2-NH2 3.4Å; E229-R233 PolarHBondContact OE2-NH2 3.02Å; E229-P301 HydrophobicContact CB-CB 3.92Å; E229-P301 HydrophobicContact CG-CB 3.91Å; E229-P301 HydrophobicContact CG-CG 4Å
230S94.2Very high96.7Very high17 Ų1752.7 Ų52.712%0.11925%0.254CS..Hα-helixtrans-67.5-43.8-175.567.90000110.3F184 D185 D228 L232 R233 T234F184-S230 WeakPolarHBondContact CB-OG 3.16Å; D185-S230 VanDerWaalsContact OD1-CB 3.27Å; D185-S230 WeakPolarHBondContact OD1-CB 3.49Å; D228-S230 PolarHBondContact O-N 3.04Å; D228-S230 WeakPolarHBondContact OD1-CA 3.42Å; D228-S230 PolarHBondContact OD1-N 2.77Å; D228-S230 PolarHBondContact OD1-OG 2.62Å; S230-L232 PolarHBondContact O-N 3.27Å; S230-R233 PolarHBondContact O-N 2.76Å; S230-T234 WeakPolarHBondContact O-CB 3.46Å; S230-T234 PolarHBondContact O-N 3.07Å; S230-T234 PolarHBondContact O-OG1 3.21Å
231F97.1Very high96.8Very high0 Ų048.4 Ų48.40%022%0.224CC..Hα-helixtrans-57.5-49.5172.6178.5-91.2000111.5F184 M218 R221 L222 N225 D228 T234 L235F184-F231 HydrophobicContact CD1-CB 4.41Å; F184-F231 AromaticContact CD1-CD2 3.99Å; F184-F231 HydrophobicContact CD1-CD2 3.99Å; F184-F231 HydrophobicContact CD2-CB 4.07Å; F184-F231 HydrophobicContact CD2-CD2 4.44Å; F184-F231 AromaticContact CE1-CD2 3.54Å; F184-F231 HydrophobicContact CE1-CD2 3.54Å; F184-F231 HydrophobicContact CE1-CE2 4.19Å; F184-F231 HydrophobicContact CE2-CB 4.28Å; F184-F231 AromaticContact CE2-CD2 3.99Å; F184-F231 HydrophobicContact CE2-CD2 3.99Å; F184-F231 HydrophobicContact CG-CB 4.17Å; F184-F231 HydrophobicContact CG-CD2 4.47Å; F184-F231 AromaticContact CZ-CD2 3.54Å; F184-F231 HydrophobicContact CZ-CD2 3.54Å; F184-F231 HydrophobicContact CZ-CE2 4.22Å; M218-F231 HydrophobicContact CB-CE2 4.37Å; M218-F231 HydrophobicContact CB-CZ 4.3Å; M218-F231 HydrophobicContact CE-CD2 3.76Å; M218-F231 HydrophobicContact CE-CE2 3.58Å; M218-F231 HydrophobicContact CE-CG 4.4Å; M218-F231 HydrophobicContact CE-CZ 4.06Å; M218-F231 WeakPolarHBondContact O-CZ 3.48Å; R221-F231 HydrophobicContact CB-CE2 4.06Å; R221-F231 HydrophobicContact CB-CZ 4.27Å; L222-F231 HydrophobicContact CB-CE1 4.11Å; L222-F231 HydrophobicContact CB-CZ 4.24Å; L222-F231 HydrophobicContact CD1-CD1 4.49Å; L222-F231 HydrophobicContact CD1-CE1 3.72Å; N225-F231 HydrophobicContact CB-CB 3.98Å; N225-F231 HydrophobicContact CB-CD1 3.61Å; N225-F231 HydrophobicContact CB-CD2 3.74Å; N225-F231 HydrophobicContact CB-CE1 4.01Å; N225-F231 HydrophobicContact CB-CE2 4.1Å; N225-F231 HydrophobicContact CB-CG 3.48Å; N225-F231 VanDerWaalsContact CB-CG 3.48Å; N225-F231 HydrophobicContact CB-CZ 4.23Å; D228-F231 HydrophobicContact CB-CB 3.83Å; D228-F231 PolarHBondContact O-N 2.89Å; D228-F231 WeakPolarHBondContact OD1-CB 3.08Å; D228-F231 PolarHBondContact OD1-N 3.18Å; F231-T234 WeakPolarHBondContact O-CB 3.5Å; F231-T234 PolarHBondContact O-N 3.07Å; F231-L235 HydrophobicContact CE1-CD2 4.09Å; F231-L235 WeakPolarHBondContact O-CB 3.37Å; F231-L235 PolarHBondContact O-N 2.92Å
232L97.5Very high96.8Very high0 Ų042.5 Ų42.50%020%0.202CC..Hα-helixtrans-67.2-38.4-178.5-67175.3000112.6L222 D228 E229 S230 T234 L235 R236 I283 Y284 P301 A302 L305L222-L232 HydrophobicContact CD1-CD2 3.88Å; D228-L232 WeakPolarHBondContact O-CB 3.43Å; D228-L232 WeakPolarHBondContact O-CG 3.25Å; D228-L232 PolarHBondContact O-N 3.44Å; E229-L232 PolarHBondContact O-N 3.13Å; S230-L232 PolarHBondContact O-N 3.27Å; L232-T234 VanDerWaalsContact C-N 3.32Å; L232-T234 PolarHBondContact O-N 2.9Å; L232-L235 PolarHBondContact O-N 3.34Å; L232-R236 VanDerWaalsContact O-CB 3.24Å; L232-R236 WeakPolarHBondContact O-CB 3.28Å; L232-R236 PolarHBondContact O-N 3.37Å; L232-I283 HydrophobicContact CD1-CD1 3.72Å; L232-Y284 WeakPolarHBondContact CD2-OH 3.1Å; L232-P301 HydrophobicContact CB-CB 4.4Å; L232-P301 HydrophobicContact CD1-CB 4.23Å; L232-P301 HydrophobicContact CD1-CG 4.1Å; L232-A302 HydrophobicContact CD1-CB 4.35Å; L232-L305 HydrophobicContact CD2-CD2 4.4Å
233R95Very high96.8Very high89 Ų8942.5 Ų42.534%0.33620%0.202SC..Hα-helixtrans-60.6-44.5173.2-72.5169.1-161.8-173.66.2110.6S188 E229 S230 R237S188-R233 WeakPolarHBondContact OG-CB 3.39Å; E229-R233 WeakPolarHBondContact O-CB 3.48Å; E229-R233 WeakPolarHBondContact O-CG 3.35Å; E229-R233 PolarHBondContact O-N 3.23Å; E229-R233 IonicContact OE2-CZ 2.98Å; E229-R233 IonicContact OE2-NH2 3.4Å; E229-R233 PolarHBondContact OE2-NH2 3.02Å; S230-R233 PolarHBondContact O-N 2.76Å; R233-R237 WeakPolarHBondContact O-CB 3.02Å; R233-R237 VanDerWaalsContact O-CG 3.24Å; R233-R237 WeakPolarHBondContact O-CG 3.31Å; R233-R237 PolarHBondContact O-N 2.88Å
234T95.9Very high96.8Very high0 Ų039.4 Ų39.40%019%0.185CC..Hα-helixtrans-63-52.5177.8-61.50000110.8F184 Q187 S188 A191 M218 S230 F231 L232 R236 R237 L238F184-T234 PolarHBondContact O-OG1 3.41Å; Q187-T234 HydrophobicContact CB-CG2 3.8Å; S188-T234 WeakPolarHBondContact CA-OG1 3.49Å; S188-T234 WeakPolarHBondContact CB-OG1 3.5Å; S188-T234 PolarHBondContact N-OG1 3.04Å; S188-T234 PolarHBondContact OG-N 3Å; S188-T234 PolarHBondContact OG-OG1 2.89Å; S188-T234 VanDerWaalsContact OG-OG1 3.12Å; A191-T234 HydrophobicContact CB-CG2 4.49Å; M218-T234 HydrophobicContact CE-CG2 3.8Å; M218-T234 HydrophobicContact SD-CG2 4.09Å; S230-T234 WeakPolarHBondContact O-CB 3.46Å; S230-T234 PolarHBondContact O-N 3.07Å; S230-T234 PolarHBondContact O-OG1 3.21Å; F231-T234 WeakPolarHBondContact O-CB 3.5Å; F231-T234 PolarHBondContact O-N 3.07Å; L232-T234 VanDerWaalsContact C-N 3.32Å; L232-T234 PolarHBondContact O-N 2.9Å; T234-R236 VanDerWaalsContact C-N 3.34Å; T234-R236 PolarHBondContact O-N 2.75Å; T234-R237 PolarHBondContact O-N 3.27Å; T234-R237 VanDerWaalsContact O-N 3.08Å; T234-L238 WeakPolarHBondContact O-CG 3.05Å; T234-L238 PolarHBondContact O-N 3.5Å
235L97.9Very high96.7Very high0 Ų033.2 Ų33.20%015%0.152CC..Hα-helixtrans-55.1-48.3178.3-176.561.3000111.6L215 M218 L222 F231 L232 R237 L238 V239 I269 L305L215-L235 HydrophobicContact CD1-CD1 3.6Å; M218-L235 HydrophobicContact CB-CD1 4.11Å; M218-L235 HydrophobicContact CE-CB 4.13Å; L222-L235 HydrophobicContact CD1-CD2 3.92Å; L222-L235 HydrophobicContact CD2-CD2 4.24Å; F231-L235 HydrophobicContact CE1-CD2 4.09Å; F231-L235 WeakPolarHBondContact O-CB 3.37Å; F231-L235 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 3.34Å; L235-R237 PolarHBondContact O-N 2.89Å; L235-L238 PolarHBondContact O-N 3.13Å; L235-V239 WeakPolarHBondContact O-CG2 3.42Å; L235-V239 PolarHBondContact O-N 3.03Å; L235-I269 HydrophobicContact CD1-CD1 3.84Å; L235-I269 HydrophobicContact CD1-CG1 4.5Å; L235-I269 HydrophobicContact CD2-CG2 4.28Å; L235-I269 HydrophobicContact CG-CD1 4.42Å; L235-L305 HydrophobicContact CD2-CD2 4.24Å; L235-L305 HydrophobicContact CG-CD1 4.27Å
236R97.1Very high96.7Very high66 Ų6631.7 Ų31.725%0.24914%0.144CC..Hα-helixtrans-59.8-44176.7-179.7-176.264.4176.9-5.2112.2L232 T234 L238 V239 K240 S303 L305L232-R236 VanDerWaalsContact O-CB 3.24Å; L232-R236 WeakPolarHBondContact O-CB 3.28Å; L232-R236 PolarHBondContact O-N 3.37Å; T234-R236 VanDerWaalsContact C-N 3.34Å; T234-R236 PolarHBondContact O-N 2.75Å; R236-L238 VanDerWaalsContact C-N 3.33Å; R236-L238 PolarHBondContact O-N 3Å; R236-V239 PolarHBondContact O-N 3.21Å; R236-K240 VanDerWaalsContact O-CB 3.26Å; R236-K240 WeakPolarHBondContact O-CB 3.48Å; R236-K240 PolarHBondContact O-N 3.45Å; R236-S303 WeakPolarHBondContact CD-O 3.4Å; R236-S303 PolarHBondContact NH1-O 2.89Å; R236-L305 HydrophobicContact CB-CB 4.38Å; R236-L305 HydrophobicContact CB-CD1 4.03Å; R236-L305 HydrophobicContact CG-CB 4.41Å
237R96.5Very high96.6Very high66 Ų6633.5 Ų33.525%0.24916%0.157CC..Hα-helixtrans-64.3-37.7178.4-75.2171.4178.5166.63.3111.2S188 A191 C195 R233 T234 L235 K240 A241S188-R237 VanDerWaalsContact CB-NH1 3.26Å; S188-R237 VanDerWaalsContact O-CD 3.26Å; S188-R237 WeakPolarHBondContact O-CD 3.39Å; S188-R237 PolarHBondContact O-NH1 3.48Å; S188-R237 PolarHBondContact OG-NH1 2.97Å; A191-R237 HydrophobicContact CB-CB 3.56Å; C195-R237 PolarHBondContact SG-O 3.38Å; R233-R237 WeakPolarHBondContact O-CB 3.02Å; R233-R237 VanDerWaalsContact O-CG 3.24Å; R233-R237 WeakPolarHBondContact O-CG 3.31Å; R233-R237 PolarHBondContact O-N 2.88Å; T234-R237 PolarHBondContact O-N 3.27Å; T234-R237 VanDerWaalsContact O-N 3.08Å; L235-R237 PolarHBondContact O-N 2.89Å; R237-K240 WeakPolarHBondContact O-CB 3.36Å; R237-K240 PolarHBondContact O-N 3.04Å; R237-A241 PolarHBondContact O-N 3.22Å
238L97.5Very high96.3Very high0 Ų030.1 Ų30.10%014%0.143CC..Hα-helixtrans-66-47.5174.6-66.2-173.7000112.9F178 A191 L194 L211 Y214 L215 M218 T234 L235 R236 K240 A241 F242F178-L238 HydrophobicContact CE1-CD2 4.29Å; F178-L238 HydrophobicContact CZ-CD2 3.97Å; A191-L238 HydrophobicContact CB-CD2 3.8Å; A191-L238 HydrophobicContact CB-CG 4.29Å; L194-L238 HydrophobicContact CD2-CD2 3.94Å; L211-L238 HydrophobicContact CD1-CD2 3.87Å; Y214-L238 HydrophobicContact CD1-CD1 3.68Å; Y214-L238 HydrophobicContact CE1-CD1 3.69Å; L215-L238 HydrophobicContact CD1-CB 4.17Å; L215-L238 HydrophobicContact CD1-CD1 4.48Å; M218-L238 HydrophobicContact SD-CD1 3.43Å; M218-L238 WeakPolarHBondContact SD-CD1 3.26Å; T234-L238 WeakPolarHBondContact O-CG 3.05Å; T234-L238 PolarHBondContact O-N 3.5Å; L235-L238 PolarHBondContact O-N 3.13Å; R236-L238 VanDerWaalsContact C-N 3.33Å; R236-L238 PolarHBondContact O-N 3Å; L238-K240 PolarHBondContact O-N 3.24Å; L238-A241 WeakPolarHBondContact O-CB 3.12Å; L238-A241 PolarHBondContact O-N 2.89Å; L238-A241 VanDerWaalsContact O-N 3.12Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.42Å; L238-F242 PolarHBondContact O-N 3.36Å; L238-F242 VanDerWaalsContact O-N 3.07Å
239V98.6Very high95.8Very high0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-60.2-38.6175.1-179.20000110.3L215 L235 R236 F242 C243 V266 I269 L305 C308 L312L215-V239 HydrophobicContact CD1-CG2 4.19Å; L235-V239 WeakPolarHBondContact O-CG2 3.42Å; L235-V239 PolarHBondContact O-N 3.03Å; R236-V239 PolarHBondContact O-N 3.21Å; V239-F242 PolarHBondContact O-N 3.22Å; V239-C243 PolarHBondContact O-N 3.31Å; V239-C243 PolarHBondContact O-SG 3.07Å; V239-V266 HydrophobicContact CG1-CG2 4.35Å; V239-I269 HydrophobicContact CG2-CD1 3.87Å; V239-L305 HydrophobicContact CG2-CD1 4.37Å; V239-C308 HydrophobicContact CB-CB 4.29Å; V239-C308 HydrophobicContact CG1-CB 3.72Å; V239-L312 HydrophobicContact CG1-CB 4.38Å; V239-L312 HydrophobicContact CG1-CD2 3.99Å
240K97.7Very high95.5Very high92 Ų9236.2 Ų36.240%0.417%0.171SC..Hα-helixtrans-64.2-40.7174.6-175.9176.6-178.5177.60112.4R236 R237 L238 F242 C243 I244R236-K240 VanDerWaalsContact O-CB 3.26Å; R236-K240 WeakPolarHBondContact O-CB 3.48Å; R236-K240 PolarHBondContact O-N 3.45Å; R237-K240 WeakPolarHBondContact O-CB 3.36Å; R237-K240 PolarHBondContact O-N 3.04Å; L238-K240 PolarHBondContact O-N 3.24Å; K240-F242 VanDerWaalsContact C-N 3.3Å; K240-F242 PolarHBondContact O-N 2.97Å; K240-C243 WeakPolarHBondContact O-CB 3.4Å; K240-C243 PolarHBondContact O-N 2.94Å; K240-C243 VanDerWaalsContact O-N 3.17Å; K240-I244 HydrophobicContact CG-CD1 4.33Å; K240-I244 WeakPolarHBondContact O-CG1 3.23Å; K240-I244 PolarHBondContact O-N 3.26Å
241A97.3Very high95.4Very high1 Ų136 Ų361%0.00817%0.169CC..Hα-helixtrans-58.6-44.7174.300000110.6L194 V198 R237 L238 C243 I244 A245L194-A241 HydrophobicContact CD2-CB 4.48Å; L194-A241 HydrophobicContact CG-CB 4.39Å; V198-A241 HydrophobicContact CG2-CB 4.49Å; R237-A241 PolarHBondContact O-N 3.22Å; L238-A241 WeakPolarHBondContact O-CB 3.12Å; L238-A241 PolarHBondContact O-N 2.89Å; L238-A241 VanDerWaalsContact O-N 3.12Å; A241-C243 PolarHBondContact O-N 3.36Å; A241-I244 PolarHBondContact O-N 2.81Å; A241-A245 PolarHBondContact O-N 3Å
242F98.3Very high95.2Very high0 Ų038.7 Ų38.70%019%0.186CC..Hα-helixtrans-65.3-37.2173.8-74.5-62.9000113.4L211 V212 L215 L238 V239 K240 I244 A245 T246 I256 L262 L312L211-F242 HydrophobicContact CB-CZ 3.88Å; L211-F242 HydrophobicContact CD2-CE1 4.05Å; L211-F242 HydrophobicContact CD2-CE2 3.87Å; L211-F242 HydrophobicContact CD2-CZ 3.55Å; L211-F242 HydrophobicContact CG-CE1 4.46Å; L211-F242 HydrophobicContact CG-CE2 3.86Å; L211-F242 HydrophobicContact CG-CZ 3.56Å; V212-F242 HydrophobicContact CB-CZ 4.42Å; V212-F242 HydrophobicContact CG2-CE1 3.74Å; V212-F242 HydrophobicContact CG2-CZ 3.65Å; L215-F242 HydrophobicContact CB-CE2 4.22Å; L215-F242 HydrophobicContact CD2-CD2 3.98Å; L215-F242 HydrophobicContact CD2-CE2 3.82Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.42Å; L238-F242 PolarHBondContact O-N 3.36Å; L238-F242 VanDerWaalsContact O-N 3.07Å; V239-F242 PolarHBondContact O-N 3.22Å; K240-F242 VanDerWaalsContact C-N 3.3Å; K240-F242 PolarHBondContact O-N 2.97Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 3.16Å; F242-A245 PolarHBondContact O-N 2.89Å; F242-T246 WeakPolarHBondContact O-CB 3.29Å; F242-T246 WeakPolarHBondContact O-CG2 3.42Å; F242-T246 PolarHBondContact O-N 3.02Å; F242-T246 PolarHBondContact O-OG1 3.45Å; F242-I256 HydrophobicContact CD1-CG1 4.48Å; F242-I256 HydrophobicContact CE1-CG1 4.36Å; F242-L262 HydrophobicContact CB-CD2 4.34Å; F242-L262 HydrophobicContact CD1-CD1 4.11Å; F242-L262 HydrophobicContact CD1-CD2 3.58Å; F242-L262 HydrophobicContact CD2-CD1 3.81Å; F242-L262 HydrophobicContact CE1-CD1 4.23Å; F242-L262 HydrophobicContact CE1-CD2 3.98Å; F242-L262 HydrophobicContact CE2-CD1 3.94Å; F242-L262 HydrophobicContact CG-CD1 3.89Å; F242-L262 HydrophobicContact CG-CD2 3.98Å; F242-L262 HydrophobicContact CZ-CD1 4.14Å; F242-L312 HydrophobicContact CB-CD1 3.88Å; F242-L312 HydrophobicContact CB-CD2 3.68Å; F242-L312 HydrophobicContact CB-CG 4.47Å; F242-L312 HydrophobicContact CG-CD2 4.5Å
243C98Very high95Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-56.5-47.1171.9-68.50000110.6V239 K240 A241 T246 S247 C308 R311 N315V239-C243 PolarHBondContact O-N 3.31Å; V239-C243 PolarHBondContact O-SG 3.07Å; K240-C243 WeakPolarHBondContact O-CB 3.4Å; K240-C243 PolarHBondContact O-N 2.94Å; K240-C243 VanDerWaalsContact O-N 3.17Å; A241-C243 PolarHBondContact O-N 3.36Å; C243-T246 PolarHBondContact O-N 3.17Å; C243-T246 PolarHBondContact O-OG1 2.59Å; C243-S247 WeakPolarHBondContact O-CB 3.46Å; C243-S247 PolarHBondContact O-N 2.91Å; C243-S247 PolarHBondContact O-OG 3.04Å; C243-C308 PolarHBondContact SG-O 2.7Å; C243-R311 HydrophobicContact CB-CG 4.33Å; C243-N315 PolarHBondContact O-ND2 3.4Å
244I96.8Very high94.8Very high29 Ų2938 Ų3815%0.14919%0.186CC..Hα-helixtrans-63.6-48179.1-61.2163000110C195 V198 R199 K240 A241 F242 T246 S247C195-I244 HydrophobicContact CB-CD1 4.11Å; V198-I244 HydrophobicContact CB-CG2 4.48Å; V198-I244 HydrophobicContact CG1-CB 3.99Å; V198-I244 HydrophobicContact CG1-CG2 3.79Å; R199-I244 HydrophobicContact CB-CG2 4.06Å; K240-I244 HydrophobicContact CG-CD1 4.33Å; K240-I244 WeakPolarHBondContact O-CG1 3.23Å; K240-I244 PolarHBondContact O-N 3.26Å; A241-I244 PolarHBondContact O-N 2.81Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 3.16Å; I244-T246 PolarHBondContact O-N 3.3Å; I244-S247 PolarHBondContact O-N 3.28Å
245A96.3Very high94.6Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-57.8-33.8-17900000113.1V198 L208 A241 F242 Y253 I256V198-A245 HydrophobicContact CG1-CB 3.71Å; L208-A245 HydrophobicContact CD2-CB 4.44Å; A241-A245 PolarHBondContact O-N 3Å; F242-A245 PolarHBondContact O-N 2.89Å; A245-Y253 HydrophobicContact CB-CD2 4.22Å; A245-Y253 HydrophobicContact CB-CG 4.35Å; A245-I256 HydrophobicContact CB-CG2 4.37Å
246T96.8Very high94.5Very high3 Ų342.6 Ų42.62%0.01822%0.218CC..THydrogen-bonded Turntrans-973.3-175.355.60000114.6F242 C243 I244 I256 L312 N315 L316F242-T246 WeakPolarHBondContact O-CB 3.29Å; F242-T246 WeakPolarHBondContact O-CG2 3.42Å; F242-T246 PolarHBondContact O-N 3.02Å; F242-T246 PolarHBondContact O-OG1 3.45Å; C243-T246 PolarHBondContact O-N 3.17Å; C243-T246 PolarHBondContact O-OG1 2.59Å; I244-T246 PolarHBondContact O-N 3.3Å; T246-I256 HydrophobicContact CG2-CG2 3.48Å; T246-I256 VanDerWaalsContact CG2-CG2 3.48Å; T246-L312 HydrophobicContact CG2-CD1 4.08Å; T246-N315 WeakPolarHBondContact OG1-CB 3.46Å; T246-N315 PolarHBondContact OG1-ND2 3.4Å; T246-L316 HydrophobicContact CG2-CD2 3.99Å
247S94.4Very high94.4Very high59 Ų5941 Ų4141%0.41321%0.211SC..SBendtrans-88-21.5-173-69.80000115.5C243 I244 R311 N315C243-S247 WeakPolarHBondContact O-CB 3.46Å; C243-S247 PolarHBondContact O-N 2.91Å; C243-S247 PolarHBondContact O-OG 3.04Å; I244-S247 PolarHBondContact O-N 3.28Å; S247-R311 PolarHBondContact OG-NH2 3.35Å; S247-N315 PolarHBondContact OG-ND2 3.16Å
248D88.7Confident94.4Very high56 Ų5641.1 Ų41.130%0.29922%0.223SC..  trans-120.8123-173.917222.4000109.1K201 K250 S251K201-D248 IonicContact NZ-OD2 3.29Å; K201-D248 PolarHBondContact NZ-OD2 3.18Å; D248-K250 PolarHBondContact O-N 3.5Å; D248-K250 WeakPolarHBondContact OD1-CB 2.97Å; D248-K250 PolarHBondContact OD1-N 2.7Å; D248-S251 WeakPolarHBondContact O-CB 3.43Å; D248-S251 PolarHBondContact O-N 3.3Å; D248-S251 VanDerWaalsContact O-N 3.08Å
249D85.4Confident94.4Very high111 Ų11142.6 Ų42.659%0.59423%0.231SC*.THydrogen-bonded Turntrans-70.4-19.517962.6-13.2000113.1S251 F254D249-S251 VanDerWaalsContact C-N 3.31Å; D249-F254 VanDerWaalsContact CA-CD2 3.45Å; D249-F254 HydrophobicContact CB-CD2 4.13Å; D249-F254 HydrophobicContact CB-CE2 3.72Å; D249-F254 HydrophobicContact CB-CZ 4.04Å
250K89.5Confident94.4Very high172 Ų17244.8 Ų44.875%0.74825%0.248SC*.THydrogen-bonded Turntrans-90.76.5171.7-57176.5-174.4177.90112.6D248D248-K250 PolarHBondContact O-N 3.5Å; D248-K250 WeakPolarHBondContact OD1-CB 2.97Å; D248-K250 PolarHBondContact OD1-N 2.7Å
251S90.9Very high94.4Very high11 Ų1144 Ų448%0.07726%0.255CS..SBendtrans-70.8139.2176.6-178.70000110.8D248 D249 Y253 F254D248-S251 WeakPolarHBondContact O-CB 3.43Å; D248-S251 PolarHBondContact O-N 3.3Å; D248-S251 VanDerWaalsContact O-N 3.08Å; D249-S251 VanDerWaalsContact C-N 3.31Å; S251-Y253 PolarHBondContact O-N 3.09Å; S251-Y253 WeakPolarHBondContact OG-CB 3.04Å; S251-Y253 WeakPolarHBondContact OG-CD2 3.36Å; S251-Y253 PolarHBondContact OG-N 3.05Å; S251-F254 VanDerWaalsContact O-CB 3.3Å; S251-F254 WeakPolarHBondContact O-CB 3.36Å; S251-F254 PolarHBondContact O-N 3.5Å
252P92.6Very high94.5Very high58 Ų5844 Ų4438%0.37725%0.254SS..THydrogen-bonded Turntrans-60.7-15.9170.427.7-35.6000112.5K201 N205K201-P252 HydrophobicContact CB-CG 4.26Å; K201-P252 HydrophobicContact CD-CG 4.45Å; K201-P252 HydrophobicContact CG-CG 4.35Å; N205-P252 PolarHBondContact ND2-O 2.88Å; N205-P252 VanDerWaalsContact ND2-O 3.08Å; N205-P252 PolarHBondContact OD1-O 2.86Å
253Y94.6Very high94.5Very high1 Ų144 Ų440%0.00425%0.254CS..THydrogen-bonded Turntrans-91.7-1.2179.7-46.3-47.7000113.7V198 K201 Q202 L203 N205 L208 A245 S251 S255 I256V198-Y253 HydrophobicContact CB-CE2 4.43Å; V198-Y253 HydrophobicContact CG1-CD2 3.97Å; V198-Y253 HydrophobicContact CG1-CE2 3.88Å; V198-Y253 WeakPolarHBondContact O-CE2 3.49Å; K201-Y253 WeakPolarHBondContact CA-OH 3.29Å; Q202-Y253 PolarHBondContact N-OH 3.15Å; L203-Y253 HydrophobicContact CB-CE1 4.24Å; L203-Y253 WeakPolarHBondContact CB-OH 3.4Å; L203-Y253 PolarHBondContact N-OH 3.2Å; L203-Y253 VanDerWaalsContact O-CE1 3.28Å; L203-Y253 WeakPolarHBondContact O-CE1 3.43Å; L203-Y253 PolarHBondContact O-OH 3.35Å; L203-Y253 VanDerWaalsContact O-OH 3.14Å; N205-Y253 WeakPolarHBondContact OD1-CD1 3.05Å; N205-Y253 WeakPolarHBondContact OD1-CE1 3.27Å; L208-Y253 HydrophobicContact CD1-CD1 3.7Å; L208-Y253 HydrophobicContact CD1-CG 4.01Å; L208-Y253 HydrophobicContact CG-CD1 4.45Å; A245-Y253 HydrophobicContact CB-CD2 4.22Å; A245-Y253 HydrophobicContact CB-CG 4.35Å; S251-Y253 PolarHBondContact O-N 3.09Å; S251-Y253 WeakPolarHBondContact OG-CB 3.04Å; S251-Y253 WeakPolarHBondContact OG-CD2 3.36Å; S251-Y253 PolarHBondContact OG-N 3.05Å; Y253-S255 PolarHBondContact O-N 3.2Å; Y253-I256 WeakPolarHBondContact O-CB 3.34Å; Y253-I256 WeakPolarHBondContact O-CG2 3.36Å; Y253-I256 PolarHBondContact O-N 2.91Å
254F90.2Very high94.5Very high73 Ų7346 Ų4632%0.3227%0.267SS..G310 helixtrans-56-31.1-168.6-177.1-112.4000113.8D249 S251 I256 R257D249-F254 VanDerWaalsContact CA-CD2 3.45Å; D249-F254 HydrophobicContact CB-CD2 4.13Å; D249-F254 HydrophobicContact CB-CE2 3.72Å; D249-F254 HydrophobicContact CB-CZ 4.04Å; S251-F254 VanDerWaalsContact O-CB 3.3Å; S251-F254 WeakPolarHBondContact O-CB 3.36Å; S251-F254 PolarHBondContact O-N 3.5Å; F254-I256 PolarHBondContact O-N 3.36Å; F254-I256 VanDerWaalsContact O-N 3.1Å; F254-R257 WeakPolarHBondContact O-CB 3.39Å; F254-R257 PolarHBondContact O-N 2.83Å
255S92Very high94.6Very high91 Ų9144.9 Ų44.964%0.63626%0.262SS*.G310 helixtrans-57.5-24.6176.759.70000114Y253 R257 S258Y253-S255 PolarHBondContact O-N 3.2Å; S255-R257 PolarHBondContact O-N 3.04Å; S255-S258 PolarHBondContact O-N 3.4Å
256I95.7Very high94.8Very high6 Ų644.9 Ų44.93%0.03126%0.262CS..G310 helixtrans-65.5-18.3177.6-157.560.6000112.6L208 V212 F242 A245 T246 Y253 F254 S258 N259 L262L208-I256 HydrophobicContact CB-CD1 3.91Å; L208-I256 HydrophobicContact CB-CG1 4.32Å; L208-I256 HydrophobicContact CD1-CB 4.18Å; L208-I256 HydrophobicContact CD1-CG1 4.48Å; V212-I256 HydrophobicContact CG2-CD1 4.04Å; F242-I256 HydrophobicContact CD1-CG1 4.48Å; F242-I256 HydrophobicContact CE1-CG1 4.36Å; A245-I256 HydrophobicContact CB-CG2 4.37Å; T246-I256 HydrophobicContact CG2-CG2 3.48Å; T246-I256 VanDerWaalsContact CG2-CG2 3.48Å; Y253-I256 WeakPolarHBondContact O-CB 3.34Å; Y253-I256 WeakPolarHBondContact O-CG2 3.36Å; Y253-I256 PolarHBondContact O-N 2.91Å; F254-I256 PolarHBondContact O-N 3.36Å; F254-I256 VanDerWaalsContact O-N 3.1Å; I256-S258 PolarHBondContact O-N 2.98Å; I256-N259 HydrophobicContact CD1-CB 4.02Å; I256-N259 HydrophobicContact CG1-CB 4.47Å; I256-N259 WeakPolarHBondContact O-CB 3.35Å; I256-N259 PolarHBondContact O-N 2.81Å; I256-L262 HydrophobicContact CG1-CD2 4Å
257R95.2Very high94.9Very high31 Ų3144.7 Ų44.712%0.11726%0.261CS..G310 helixtrans-60.1-32.1177.6-167.2-174.7-167.5165.621.7112.8F254 S255 N259 N315 L316 C318 N323F254-R257 WeakPolarHBondContact O-CB 3.39Å; F254-R257 PolarHBondContact O-N 2.83Å; S255-R257 PolarHBondContact O-N 3.04Å; R257-N259 PolarHBondContact O-N 3.4Å; R257-N315 VanDerWaalsContact CZ-O 3.24Å; R257-N315 PolarHBondContact NE-O 3.45Å; R257-N315 PolarHBondContact NH2-O 3.23Å; R257-L316 WeakPolarHBondContact O-CD2 3.36Å; R257-C318 PolarHBondContact NE-O 3.42Å; R257-C318 VanDerWaalsContact NE-O 3.14Å; R257-C318 PolarHBondContact NH1-O 2.87Å; R257-C318 PolarHBondContact NH2-O 3.15Å; R257-C318 PolarHBondContact NH2-SG 3.06Å; R257-N323 PolarHBondContact O-ND2 3.42Å
258S95.9Very high95.1Very high69 Ų6944.6 Ų44.648%0.48326%0.256SS..G310 helixtrans-835.2179-51.90000113.5S255 I256 A260 H320S255-S258 PolarHBondContact O-N 3.4Å; I256-S258 PolarHBondContact O-N 2.98Å; S258-A260 PolarHBondContact O-N 3.31Å; S258-H320 WeakPolarHBondContact CA-NE2 3.43Å; S258-H320 VanDerWaalsContact CB-NE2 3.27Å; S258-H320 WeakPolarHBondContact CB-NE2 3.41Å; S258-H320 PolarHBondContact OG-CD2 3.31Å; S258-H320 VanDerWaalsContact OG-CD2 3.26Å; S258-H320 PolarHBondContact OG-NE2 3.08Å
259N97.5Very high95.5Very high32 Ų3242 Ų4217%0.17124%0.241CC..  trans-79.8104.3-175.2-169.2-52.3000111.7I256 R257 S261 L262 L263I256-N259 HydrophobicContact CD1-CB 4.02Å; I256-N259 HydrophobicContact CG1-CB 4.47Å; I256-N259 WeakPolarHBondContact O-CB 3.35Å; I256-N259 PolarHBondContact O-N 2.81Å; R257-N259 PolarHBondContact O-N 3.4Å; N259-S261 VanDerWaalsContact C-N 3.35Å; N259-S261 PolarHBondContact O-N 2.73Å; N259-S261 WeakPolarHBondContact OD1-CA 3.49Å; N259-S261 WeakPolarHBondContact OD1-CB 3.32Å; N259-S261 PolarHBondContact OD1-N 3.09Å; N259-L262 HydrophobicContact CB-CB 4.02Å; N259-L262 PolarHBondContact O-N 3.34Å; N259-L262 PolarHBondContact OD1-N 3.36Å; N259-L263 PolarHBondContact O-N 2.93Å
260A98.3Very high96.2Very high45 Ų4536.7 Ų36.737%0.37221%0.213SC..Hα-helixtrans-63.2-36.3178.200000113.2S258 L262 L263 T264 L326S258-A260 PolarHBondContact O-N 3.31Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L262 PolarHBondContact O-N 2.9Å; A260-L263 WeakPolarHBondContact O-CB 3.42Å; A260-L263 PolarHBondContact O-N 3Å; A260-T264 PolarHBondContact O-N 2.74Å; A260-T264 PolarHBondContact O-OG1 3.05Å; A260-L326 HydrophobicContact CB-CD2 3.77Å
261S98.4Very high96.6Very high76 Ų7634.3 Ų34.353%0.53120%0.2SC..Hα-helixtrans-65.9-37.4178.7-560000112.1N259 T264 A265N259-S261 VanDerWaalsContact C-N 3.35Å; N259-S261 PolarHBondContact O-N 2.73Å; N259-S261 WeakPolarHBondContact OD1-CA 3.49Å; N259-S261 WeakPolarHBondContact OD1-CB 3.32Å; N259-S261 PolarHBondContact OD1-N 3.09Å; S261-T264 PolarHBondContact O-N 2.71Å; S261-A265 WeakPolarHBondContact O-CB 3.43Å; S261-A265 PolarHBondContact O-N 3.17Å
262L98.7Very high96.9Very high0 Ų035.7 Ų35.70%021%0.205CC..Hα-helixtrans-64.9-40.6173.6179.357000111.1V212 L215 F242 I256 N259 A260 A265 V266 L312 L316V212-L262 HydrophobicContact CG1-CB 4.02Å; V212-L262 HydrophobicContact CG2-CB 4.02Å; V212-L262 HydrophobicContact CG2-CD1 4.24Å; V212-L262 HydrophobicContact CG2-CD2 4.36Å; V212-L262 HydrophobicContact CG2-CG 4.43Å; L215-L262 HydrophobicContact CD2-CD1 3.66Å; F242-L262 HydrophobicContact CB-CD2 4.34Å; F242-L262 HydrophobicContact CD1-CD1 4.11Å; F242-L262 HydrophobicContact CD1-CD2 3.58Å; F242-L262 HydrophobicContact CD2-CD1 3.81Å; F242-L262 HydrophobicContact CE1-CD1 4.23Å; F242-L262 HydrophobicContact CE1-CD2 3.98Å; F242-L262 HydrophobicContact CE2-CD1 3.94Å; F242-L262 HydrophobicContact CG-CD1 3.89Å; F242-L262 HydrophobicContact CG-CD2 3.98Å; F242-L262 HydrophobicContact CZ-CD1 4.14Å; I256-L262 HydrophobicContact CG1-CD2 4Å; N259-L262 HydrophobicContact CB-CB 4.02Å; N259-L262 PolarHBondContact O-N 3.34Å; N259-L262 PolarHBondContact OD1-N 3.36Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L262 PolarHBondContact O-N 2.9Å; L262-A265 PolarHBondContact O-N 2.7Å; L262-V266 WeakPolarHBondContact O-CG1 3.16Å; L262-V266 PolarHBondContact O-N 3Å; L262-L312 HydrophobicContact CD1-CD2 4.15Å; L262-L312 HydrophobicContact CG-CD2 4.43Å; L262-L316 HydrophobicContact CD2-CD1 4.38Å; L262-L316 HydrophobicContact CD2-CD2 4.06Å; L262-L316 HydrophobicContact CG-CD1 4.01Å
263L98.8Very high97.1Very high0 Ų033.2 Ų33.20%019%0.188CC..Hα-helixtrans-61.2-47.4174179.163.3000111.4N259 A260 A265 V266 V267 I313 L316 N323 L326 A327N259-L263 PolarHBondContact O-N 2.93Å; A260-L263 WeakPolarHBondContact O-CB 3.42Å; A260-L263 PolarHBondContact O-N 3Å; L263-A265 PolarHBondContact O-N 2.87Å; L263-V266 HydrophobicContact CD1-CG1 4.36Å; L263-V266 VanDerWaalsContact O-CG1 3.3Å; L263-V266 WeakPolarHBondContact O-CG1 3.36Å; L263-V266 PolarHBondContact O-N 2.91Å; L263-V267 HydrophobicContact CD1-CG2 3.99Å; L263-V267 HydrophobicContact CG-CG2 4.38Å; L263-V267 WeakPolarHBondContact O-CB 3.29Å; L263-V267 VanDerWaalsContact O-CG2 3.27Å; L263-V267 WeakPolarHBondContact O-CG2 3.49Å; L263-V267 PolarHBondContact O-N 3.08Å; L263-I313 HydrophobicContact CD1-CG1 4.31Å; L263-L316 HydrophobicContact CB-CD1 3.95Å; L263-L316 HydrophobicContact CD1-CB 4.33Å; L263-L316 HydrophobicContact CD1-CD1 4.12Å; L263-N323 HydrophobicContact CD2-CB 3.75Å; L263-N323 WeakPolarHBondContact CD2-O 3.48Å; L263-L326 HydrophobicContact CD2-CB 4.04Å; L263-L326 HydrophobicContact CD2-CD2 4.05Å; L263-L326 HydrophobicContact CD2-CG 4.05Å; L263-A327 HydrophobicContact CD2-CB 4.2Å
264T98.8Very high97.1Very high44 Ų4433.8 Ų33.827%0.2719%0.191SC..Hα-helixtrans-57.1-50.7176.6-58.70000110.9A260 S261 V266 V267 D268A260-T264 PolarHBondContact O-N 2.74Å; A260-T264 PolarHBondContact O-OG1 3.05Å; S261-T264 PolarHBondContact O-N 2.71Å; T264-V266 PolarHBondContact O-N 3.18Å; T264-V267 PolarHBondContact O-N 2.99Å; T264-D268 VanDerWaalsContact O-CG 3.32Å; T264-D268 PolarHBondContact O-N 3.07Å
265A98.8Very high97.4Very high4 Ų435.5 Ų35.53%0.03320%0.2CC..Hα-helixtrans-58.3-45.7-179.700000112.5L215 V219 S261 L262 L263 D268 I269L215-A265 HydrophobicContact CD2-CB 4.3Å; V219-A265 HydrophobicContact CG2-CB 4.15Å; S261-A265 WeakPolarHBondContact O-CB 3.43Å; S261-A265 PolarHBondContact O-N 3.17Å; L262-A265 PolarHBondContact O-N 2.7Å; L263-A265 PolarHBondContact O-N 2.87Å; A265-D268 PolarHBondContact O-N 3.23Å; A265-I269 WeakPolarHBondContact O-CG1 3.49Å; A265-I269 PolarHBondContact O-N 3.16Å
266V98.8Very high97.7Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-71-32.4-179.770.50000113V239 L262 L263 T264 D268 L270 C309 L312 I313 L316V239-V266 HydrophobicContact CG1-CG2 4.35Å; L262-V266 WeakPolarHBondContact O-CG1 3.16Å; L262-V266 PolarHBondContact O-N 3Å; L263-V266 HydrophobicContact CD1-CG1 4.36Å; L263-V266 VanDerWaalsContact O-CG1 3.3Å; L263-V266 WeakPolarHBondContact O-CG1 3.36Å; L263-V266 PolarHBondContact O-N 2.91Å; T264-V266 PolarHBondContact O-N 3.18Å; V266-D268 VanDerWaalsContact C-N 3.35Å; V266-L270 WeakPolarHBondContact O-CB 3.47Å; V266-L270 PolarHBondContact O-N 2.83Å; V266-C309 HydrophobicContact CG2-CB 3.72Å; V266-L312 HydrophobicContact CB-CD2 4.04Å; V266-L312 HydrophobicContact CG1-CD2 4.35Å; V266-L312 HydrophobicContact CG1-CG 4.37Å; V266-L312 HydrophobicContact CG2-CB 4.19Å; V266-L312 HydrophobicContact CG2-CD2 3.95Å; V266-L312 HydrophobicContact CG2-CG 4.33Å; V266-I313 HydrophobicContact CG1-CD1 4.47Å; V266-I313 HydrophobicContact CG1-CG1 3.7Å; V266-I313 HydrophobicContact CG2-CG1 4.38Å; V266-L316 HydrophobicContact CG1-CD1 4.15Å
267V98.8Very high97.6Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-67.2-39.7173.1171.20000110.5L263 T264 L270 R271 I313 L330 V332L263-V267 HydrophobicContact CD1-CG2 3.99Å; L263-V267 HydrophobicContact CG-CG2 4.38Å; L263-V267 WeakPolarHBondContact O-CB 3.29Å; L263-V267 VanDerWaalsContact O-CG2 3.27Å; L263-V267 WeakPolarHBondContact O-CG2 3.49Å; L263-V267 PolarHBondContact O-N 3.08Å; T264-V267 PolarHBondContact O-N 2.99Å; V267-L270 PolarHBondContact O-N 2.97Å; V267-R271 HydrophobicContact CG1-CG 4.34Å; V267-R271 WeakPolarHBondContact O-CB 3.17Å; V267-R271 WeakPolarHBondContact O-CG 3.41Å; V267-R271 PolarHBondContact O-N 3.27Å; V267-I313 HydrophobicContact CG2-CD1 4.19Å; V267-I313 HydrophobicContact CG2-CG1 4.28Å; V267-L330 HydrophobicContact CB-CD1 4.07Å; V267-L330 HydrophobicContact CG1-CB 3.76Å; V267-L330 HydrophobicContact CG1-CD1 4.18Å; V267-L330 HydrophobicContact CG2-CD1 4.13Å; V267-V332 HydrophobicContact CB-CG2 4.47Å; V267-V332 HydrophobicContact CG1-CB 3.99Å; V267-V332 HydrophobicContact CG1-CG2 3.97Å; V267-V332 HydrophobicContact CG2-CB 4.16Å; V267-V332 HydrophobicContact CG2-CG2 3.95Å
268D98.7Very high97.5Very high57 Ų5738.3 Ų38.331%0.30521%0.206SC..Hα-helixtrans-66.2-40.6177.5-71.8-16.2000112V219 T264 A265 V266 L270 R271 Q272V219-D268 HydrophobicContact CG1-CB 3.74Å; T264-D268 VanDerWaalsContact O-CG 3.32Å; T264-D268 PolarHBondContact O-N 3.07Å; A265-D268 PolarHBondContact O-N 3.23Å; V266-D268 VanDerWaalsContact C-N 3.35Å; D268-L270 VanDerWaalsContact C-N 3.34Å; D268-L270 PolarHBondContact O-N 2.99Å; D268-R271 PolarHBondContact O-N 3.2Å; D268-Q272 WeakPolarHBondContact O-CG 3.49Å; D268-Q272 PolarHBondContact O-N 3.37Å
269I98.7Very high97.5Very high0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-56.8-51.4170.3-64164.7000109.6L215 V219 L222 L235 V239 A265 R271 Q272 I273 L305L215-I269 HydrophobicContact CD1-CD1 4.04Å; L215-I269 HydrophobicContact CG-CD1 4.43Å; V219-I269 HydrophobicContact CB-CG1 4.3Å; V219-I269 HydrophobicContact CG1-CG1 4.11Å; V219-I269 HydrophobicContact CG2-CD1 3.7Å; V219-I269 HydrophobicContact CG2-CG1 3.42Å; V219-I269 VanDerWaalsContact CG2-CG1 3.42Å; L222-I269 HydrophobicContact CD2-CG2 4.22Å; L235-I269 HydrophobicContact CD1-CD1 3.84Å; L235-I269 HydrophobicContact CD1-CG1 4.5Å; L235-I269 HydrophobicContact CD2-CG2 4.28Å; L235-I269 HydrophobicContact CG-CD1 4.42Å; V239-I269 HydrophobicContact CG2-CD1 3.87Å; A265-I269 WeakPolarHBondContact O-CG1 3.49Å; A265-I269 PolarHBondContact O-N 3.16Å; I269-R271 VanDerWaalsContact C-N 3.28Å; I269-R271 PolarHBondContact O-N 2.96Å; I269-Q272 PolarHBondContact O-N 2.86Å; I269-I273 HydrophobicContact CG2-CG2 4.33Å; I269-I273 WeakPolarHBondContact O-CG1 3.48Å; I269-I273 WeakPolarHBondContact O-CG2 3.29Å; I269-I273 PolarHBondContact O-N 3.44Å; I269-L305 HydrophobicContact CG2-CD1 4.38Å; I269-L305 HydrophobicContact CG2-CD2 4.49Å
270L98.3Very high97.3Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-61.1-37-177.1-18060000112.5V266 V267 D268 I273 D274 K306 C309 I310 I313 V332 I335V266-L270 WeakPolarHBondContact O-CB 3.47Å; V266-L270 PolarHBondContact O-N 2.83Å; V267-L270 PolarHBondContact O-N 2.97Å; D268-L270 VanDerWaalsContact C-N 3.34Å; D268-L270 PolarHBondContact O-N 2.99Å; L270-I273 HydrophobicContact CD1-CD1 4.05Å; L270-I273 HydrophobicContact CD1-CG1 4.36Å; L270-I273 VanDerWaalsContact O-CG1 3.3Å; L270-I273 WeakPolarHBondContact O-CG1 3.49Å; L270-D274 VanDerWaalsContact O-CB 3.31Å; L270-D274 WeakPolarHBondContact O-CB 3.34Å; L270-D274 PolarHBondContact O-N 2.74Å; L270-K306 HydrophobicContact CD1-CD 4.43Å; L270-K306 HydrophobicContact CD1-CG 3.77Å; L270-C309 HydrophobicContact CB-CB 4.21Å; L270-C309 HydrophobicContact CD1-CB 4.4Å; L270-I310 HydrophobicContact CD1-CD1 4.1Å; L270-I310 HydrophobicContact CD1-CG1 4.47Å; L270-I310 HydrophobicContact CD2-CD1 3.46Å; L270-I310 VanDerWaalsContact CD2-CD1 3.46Å; L270-I310 HydrophobicContact CD2-CG1 4.44Å; L270-I310 HydrophobicContact CG-CD1 4.46Å; L270-I313 HydrophobicContact CD2-CD1 3.48Å; L270-I313 VanDerWaalsContact CD2-CD1 3.48Å; L270-V332 HydrophobicContact CD2-CG2 3.72Å; L270-I335 HydrophobicContact CD1-CG2 3.89Å; L270-I335 HydrophobicContact CD2-CG2 4.05Å; L270-I335 HydrophobicContact CG-CG2 3.74Å
271R98Very high97.1Very high123 Ų12340.1 Ų40.146%0.46421%0.211SC..Hα-helixtrans-66.8-49.2175.3-76.5177.160.3156.5-5.6111.8V267 D268 I269 I273 D274 E275 L330 I335V267-R271 HydrophobicContact CG1-CG 4.34Å; V267-R271 WeakPolarHBondContact O-CB 3.17Å; V267-R271 WeakPolarHBondContact O-CG 3.41Å; V267-R271 PolarHBondContact O-N 3.27Å; D268-R271 PolarHBondContact O-N 3.2Å; I269-R271 VanDerWaalsContact C-N 3.28Å; I269-R271 PolarHBondContact O-N 2.96Å; R271-I273 PolarHBondContact O-N 3Å; R271-D274 PolarHBondContact O-N 3.35Å; R271-E275 WeakPolarHBondContact O-CB 3.31Å; R271-E275 PolarHBondContact O-N 3.34Å; R271-L330 PolarHBondContact NH1-O 2.94Å; R271-L330 VanDerWaalsContact NH1-O 3.13Å; R271-I335 HydrophobicContact CB-CD1 4.3Å; R271-I335 HydrophobicContact CG-CD1 3.58Å
272Q98.3Very high96.7Very high40 Ų4041.8 Ų41.819%0.18721%0.214CC..Hα-helixtrans-60.6-47-179.7-74.3-175.463.800111.5V219 L222 D268 I269 D274 E275 F276V219-Q272 PolarHBondContact O-NE2 3.28Å; V219-Q272 VanDerWaalsContact O-NE2 3.15Å; L222-Q272 HydrophobicContact CD2-CB 3.82Å; D268-Q272 WeakPolarHBondContact O-CG 3.49Å; D268-Q272 PolarHBondContact O-N 3.37Å; I269-Q272 PolarHBondContact O-N 2.86Å; Q272-D274 VanDerWaalsContact C-N 3.27Å; Q272-D274 PolarHBondContact O-N 2.8Å; Q272-E275 WeakPolarHBondContact O-CB 3.46Å; Q272-E275 PolarHBondContact O-N 2.82Å; Q272-E275 VanDerWaalsContact O-N 3.16Å; Q272-F276 HydrophobicContact CB-CE2 4.01Å; Q272-F276 HydrophobicContact CB-CZ 3.98Å; Q272-F276 VanDerWaalsContact O-CD2 3.3Å; Q272-F276 WeakPolarHBondContact O-CD2 3.11Å; Q272-F276 WeakPolarHBondContact O-CG 3.24Å; Q272-F276 PolarHBondContact O-N 3.02Å
273I96.6Very high96.4Very high5 Ų543.6 Ų43.63%0.02622%0.223CC..Hα-helixtrans-65.5-31.2178.868.8-178.4000112.8L222 I269 L270 R271 A277 Y284 L305 K306L222-I273 HydrophobicContact CD2-CG2 4.3Å; I269-I273 HydrophobicContact CG2-CG2 4.33Å; I269-I273 WeakPolarHBondContact O-CG1 3.48Å; I269-I273 WeakPolarHBondContact O-CG2 3.29Å; I269-I273 PolarHBondContact O-N 3.44Å; L270-I273 HydrophobicContact CD1-CD1 4.05Å; L270-I273 HydrophobicContact CD1-CG1 4.36Å; L270-I273 VanDerWaalsContact O-CG1 3.3Å; L270-I273 WeakPolarHBondContact O-CG1 3.49Å; R271-I273 PolarHBondContact O-N 3Å; I273-A277 WeakPolarHBondContact O-CB 3.18Å; I273-A277 PolarHBondContact O-N 3.33Å; I273-A277 VanDerWaalsContact O-N 3.09Å; I273-Y284 HydrophobicContact CB-CD1 3.7Å; I273-Y284 HydrophobicContact CB-CE1 3.93Å; I273-Y284 HydrophobicContact CB-CG 4.44Å; I273-Y284 HydrophobicContact CG2-CD1 3.88Å; I273-Y284 HydrophobicContact CG2-CE1 3.55Å; I273-L305 HydrophobicContact CG2-CD2 4.13Å; I273-K306 HydrophobicContact CD1-CB 3.75Å; I273-K306 HydrophobicContact CD1-CD 4.44Å; I273-K306 HydrophobicContact CD1-CG 3.93Å
274D94.7Very high96.1Very high14 Ų1444.5 Ų44.58%0.07523%0.227CC..Hα-helixtrans-70.9-38175.2-166.575000111.5L270 R271 Q272 A277 K278 K306 I335L270-D274 VanDerWaalsContact O-CB 3.31Å; L270-D274 WeakPolarHBondContact O-CB 3.34Å; L270-D274 PolarHBondContact O-N 2.74Å; R271-D274 PolarHBondContact O-N 3.35Å; Q272-D274 VanDerWaalsContact C-N 3.27Å; Q272-D274 PolarHBondContact O-N 2.8Å; D274-A277 PolarHBondContact O-N 3.3Å; D274-K278 VanDerWaalsContact O-CG 3.32Å; D274-K278 WeakPolarHBondContact O-CG 3.4Å; D274-K278 PolarHBondContact O-N 3.48Å; D274-K278 VanDerWaalsContact O-N 3.08Å; D274-K278 WeakPolarHBondContact OD2-CE 3.5Å; D274-K278 IonicContact OD2-NZ 3.33Å; D274-K278 PolarHBondContact OD2-NZ 2.72Å; D274-K306 IonicContact OD1-NZ 3.02Å; D274-K306 PolarHBondContact OD1-NZ 3.34Å; D274-K306 VanDerWaalsContact OD1-NZ 3.08Å; D274-I335 HydrophobicContact CB-CD1 4.39Å; D274-I335 HydrophobicContact CB-CG2 4.09Å
275E96.3Very high95.6Very high109 Ų10946.1 Ų46.151%0.50923%0.23SC..Hα-helixtrans-65.7-44.5172.8-176.1169.3-174.700112R271 Q272 A277 K278 N279R271-E275 WeakPolarHBondContact O-CB 3.31Å; R271-E275 PolarHBondContact O-N 3.34Å; Q272-E275 WeakPolarHBondContact O-CB 3.46Å; Q272-E275 PolarHBondContact O-N 2.82Å; Q272-E275 VanDerWaalsContact O-N 3.16Å; E275-A277 VanDerWaalsContact C-N 3.32Å; E275-A277 PolarHBondContact O-N 2.85Å; E275-K278 WeakPolarHBondContact O-CB 3.38Å; E275-K278 PolarHBondContact O-N 3.05Å; E275-K278 VanDerWaalsContact O-N 3.13Å; E275-N279 WeakPolarHBondContact O-CB 3.49Å; E275-N279 VanDerWaalsContact O-CG 3.26Å; E275-N279 PolarHBondContact O-N 2.94Å; E275-N279 PolarHBondContact O-ND2 3.46Å
276F97.4Very high95Very high11 Ų1150.6 Ų50.65%0.04825%0.246CC..Hα-helixtrans-58.6-43174.5-61.4-25.5000112.3L222 N223 C226 Q272 K278 N279 G280 I281 Y284L222-F276 HydrophobicContact CD1-CE2 4.22Å; L222-F276 HydrophobicContact CD2-CE2 4.31Å; L222-F276 HydrophobicContact CG-CE2 3.89Å; L222-F276 HydrophobicContact CG-CZ 4.39Å; N223-F276 HydrophobicContact CB-CZ 4.33Å; C226-F276 HydrophobicContact CB-CD2 4.02Å; C226-F276 HydrophobicContact CB-CE1 4.43Å; C226-F276 HydrophobicContact CB-CE2 3.65Å; C226-F276 HydrophobicContact CB-CZ 3.91Å; Q272-F276 HydrophobicContact CB-CE2 4.01Å; Q272-F276 HydrophobicContact CB-CZ 3.98Å; Q272-F276 VanDerWaalsContact O-CD2 3.3Å; Q272-F276 WeakPolarHBondContact O-CD2 3.11Å; Q272-F276 WeakPolarHBondContact O-CG 3.24Å; Q272-F276 PolarHBondContact O-N 3.02Å; F276-K278 VanDerWaalsContact C-N 3.34Å; F276-K278 PolarHBondContact O-N 3.49Å; F276-N279 PolarHBondContact O-N 3.21Å; F276-G280 PolarHBondContact O-N 3.3Å; F276-G280 VanDerWaalsContact O-N 3.15Å; F276-I281 HydrophobicContact CB-CB 4.3Å; F276-I281 HydrophobicContact CB-CD1 3.96Å; F276-I281 HydrophobicContact CB-CG1 4.39Å; F276-I281 HydrophobicContact CD1-CD1 4.25Å; F276-I281 HydrophobicContact CG-CD1 4.19Å; F276-I281 WeakPolarHBondContact O-CB 3.45Å; F276-I281 PolarHBondContact O-N 2.87Å; F276-Y284 HydrophobicContact CB-CD2 3.48Å; F276-Y284 VanDerWaalsContact CB-CD2 3.48Å; F276-Y284 HydrophobicContact CB-CE2 3.92Å; F276-Y284 HydrophobicContact CB-CG 4.05Å; F276-Y284 HydrophobicContact CD2-CD2 4.02Å; F276-Y284 HydrophobicContact CD2-CE1 4.47Å; F276-Y284 AromaticContact CD2-CE2 3.62Å; F276-Y284 HydrophobicContact CD2-CE2 3.62Å; F276-Y284 AromaticContact CD2-CZ 3.86Å; F276-Y284 HydrophobicContact CG-CD2 4.21Å; F276-Y284 HydrophobicContact CG-CE2 4.15Å
277A94Very high94.4Very high21 Ų2153.5 Ų53.517%0.17426%0.258CS..Hα-helixtrans-61.5-42.6175.400000112I273 D274 E275 G280 Y284I273-A277 WeakPolarHBondContact O-CB 3.18Å; I273-A277 PolarHBondContact O-N 3.33Å; I273-A277 VanDerWaalsContact O-N 3.09Å; D274-A277 PolarHBondContact O-N 3.3Å; E275-A277 VanDerWaalsContact C-N 3.32Å; E275-A277 PolarHBondContact O-N 2.85Å; A277-G280 PolarHBondContact O-N 3.4Å; A277-Y284 WeakPolarHBondContact CB-O 3.41Å
278K93.8Very high93.4Very high155 Ų15562.2 Ų62.267%0.67429%0.291SS*.Hα-helixtrans-66.7-36.7176.9-75.4165.8174.3161.90112.5D274 E275 F276 G280D274-K278 VanDerWaalsContact O-CG 3.32Å; D274-K278 WeakPolarHBondContact O-CG 3.4Å; D274-K278 PolarHBondContact O-N 3.48Å; D274-K278 VanDerWaalsContact O-N 3.08Å; D274-K278 WeakPolarHBondContact OD2-CE 3.5Å; D274-K278 IonicContact OD2-NZ 3.33Å; D274-K278 PolarHBondContact OD2-NZ 2.72Å; E275-K278 WeakPolarHBondContact O-CB 3.38Å; E275-K278 PolarHBondContact O-N 3.05Å; E275-K278 VanDerWaalsContact O-N 3.13Å; F276-K278 VanDerWaalsContact C-N 3.34Å; F276-K278 PolarHBondContact O-N 3.49Å; K278-G280 PolarHBondContact O-N 3.05Å
279N95.7Very high92.1Very high117 Ų11765.1 Ų65.163%0.62631%0.307SS*.THydrogen-bonded Turntrans-76.9-1.4176.7-68-14.9000113.1E275 F276E275-N279 WeakPolarHBondContact O-CB 3.49Å; E275-N279 VanDerWaalsContact O-CG 3.26Å; E275-N279 PolarHBondContact O-N 2.94Å; E275-N279 PolarHBondContact O-ND2 3.46Å; F276-N279 PolarHBondContact O-N 3.21Å
280G92.6Very high90.6Very high31 Ų3170.3 Ų70.332%0.3233%0.329SS..THydrogen-bonded Turntrans101.76168.200000115.4F276 A277 K278 D282 K285F276-G280 PolarHBondContact O-N 3.3Å; F276-G280 VanDerWaalsContact O-N 3.15Å; A277-G280 PolarHBondContact O-N 3.4Å; K278-G280 PolarHBondContact O-N 3.05Å; G280-D282 PolarHBondContact O-N 3.47Å; G280-K285 VanDerWaalsContact CA-CE 3.43Å; G280-K285 WeakPolarHBondContact O-CE 3.13Å; G280-K285 PolarHBondContact O-NZ 3.03Å
281I94.1Very high88.8Confident35 Ų3574.4 Ų74.418%0.17935%0.351CS..  trans-72.1113.4178.5-56-174.8000109.9E227 F276 I283 Y284E227-I281 HydrophobicContact CG-CG2 4.04Å; F276-I281 HydrophobicContact CB-CB 4.3Å; F276-I281 HydrophobicContact CB-CD1 3.96Å; F276-I281 HydrophobicContact CB-CG1 4.39Å; F276-I281 HydrophobicContact CD1-CD1 4.25Å; F276-I281 HydrophobicContact CG-CD1 4.19Å; F276-I281 WeakPolarHBondContact O-CB 3.45Å; F276-I281 PolarHBondContact O-N 2.87Å; I281-I283 HydrophobicContact CG2-CG1 3.78Å; I281-I283 PolarHBondContact O-N 2.98Å; I281-Y284 HydrophobicContact CB-CD2 4.02Å; I281-Y284 HydrophobicContact CG2-CD2 3.66Å; I281-Y284 HydrophobicContact CG2-CE2 3.97Å; I281-Y284 PolarHBondContact O-N 3.09Å
282D90.5Very high86.7Confident112 Ų11272.1 Ų72.160%0.59937%0.366SS*.G310 helixtrans-63.9-34.6-166.2-79.5-24.3000114.1G280 Y284 K285G280-D282 PolarHBondContact O-N 3.47Å; D282-Y284 PolarHBondContact O-N 2.91Å; D282-Y284 VanDerWaalsContact O-N 3.16Å; D282-K285 PolarHBondContact O-N 3.38Å; D282-K285 VanDerWaalsContact O-N 3.12Å; D282-K285 WeakPolarHBondContact OD1-CD 3.12Å; D282-K285 WeakPolarHBondContact OD1-CE 3.46Å; D282-K285 IonicContact OD1-NZ 3.29Å; D282-K285 PolarHBondContact OD1-NZ 3.02Å
283I91.7Very high84.7Confident38 Ų3876.4 Ų76.420%0.19538%0.384CS..G310 helixtrans-64.5-19.7-18059.7164.2000113.1C226 E227 L232 I281 N300 P301C226-I283 WeakPolarHBondContact O-CD1 3.25Å; E227-I283 HydrophobicContact CB-CD1 4.5Å; E227-I283 HydrophobicContact CG-CD1 4.23Å; L232-I283 HydrophobicContact CD1-CD1 3.72Å; I281-I283 HydrophobicContact CG2-CG1 3.78Å; I281-I283 PolarHBondContact O-N 2.98Å; I283-N300 WeakPolarHBondContact CB-OD1 3.35Å; I283-N300 PolarHBondContact O-ND2 2.63Å; I283-N300 PolarHBondContact O-OD1 3.29Å; I283-P301 HydrophobicContact CD1-CG 4.25Å; I283-P301 HydrophobicContact CG2-CG 4.48Å
284Y93.3Very high82.4Confident19 Ų1982.2 Ų82.28%0.07542%0.422CS..G310 helixtrans-99.2-10.2176.6-61.3-71.6000113.7C226 L232 I273 F276 A277 I281 D282 A302C226-Y284 WeakPolarHBondContact O-CE2 3.14Å; C226-Y284 VanDerWaalsContact O-CZ 3.26Å; C226-Y284 PolarHBondContact O-OH 2.91Å; L232-Y284 WeakPolarHBondContact CD2-OH 3.1Å; I273-Y284 HydrophobicContact CB-CD1 3.7Å; I273-Y284 HydrophobicContact CB-CE1 3.93Å; I273-Y284 HydrophobicContact CB-CG 4.44Å; I273-Y284 HydrophobicContact CG2-CD1 3.88Å; I273-Y284 HydrophobicContact CG2-CE1 3.55Å; F276-Y284 HydrophobicContact CB-CD2 3.48Å; F276-Y284 VanDerWaalsContact CB-CD2 3.48Å; F276-Y284 HydrophobicContact CB-CE2 3.92Å; F276-Y284 HydrophobicContact CB-CG 4.05Å; F276-Y284 HydrophobicContact CD2-CD2 4.02Å; F276-Y284 HydrophobicContact CD2-CE1 4.47Å; F276-Y284 AromaticContact CD2-CE2 3.62Å; F276-Y284 HydrophobicContact CD2-CE2 3.62Å; F276-Y284 AromaticContact CD2-CZ 3.86Å; F276-Y284 HydrophobicContact CG-CD2 4.21Å; F276-Y284 HydrophobicContact CG-CE2 4.15Å; A277-Y284 WeakPolarHBondContact CB-O 3.41Å; I281-Y284 HydrophobicContact CB-CD2 4.02Å; I281-Y284 HydrophobicContact CG2-CD2 3.66Å; I281-Y284 HydrophobicContact CG2-CE2 3.97Å; I281-Y284 PolarHBondContact O-N 3.09Å; D282-Y284 PolarHBondContact O-N 2.91Å; D282-Y284 VanDerWaalsContact O-N 3.16Å; Y284-A302 HydrophobicContact CD1-CB 3.89Å; Y284-A302 HydrophobicContact CE1-CB 3.66Å
285K89.5Confident80.3Confident77 Ų7787.7 Ų87.734%0.33545%0.452SS..SBendtrans-69140.8-179.7-70.6-178.8-170.6157.50110.7G280 D282 K287G280-K285 VanDerWaalsContact CA-CE 3.43Å; G280-K285 WeakPolarHBondContact O-CE 3.13Å; G280-K285 PolarHBondContact O-NZ 3.03Å; D282-K285 PolarHBondContact O-N 3.38Å; D282-K285 VanDerWaalsContact O-N 3.12Å; D282-K285 WeakPolarHBondContact OD1-CD 3.12Å; D282-K285 WeakPolarHBondContact OD1-CE 3.46Å; D282-K285 IonicContact OD1-NZ 3.29Å; D282-K285 PolarHBondContact OD1-NZ 3.02Å; K285-K287 PolarHBondContact O-N 3.39Å
286R86.1Confident77.9Confident98 Ų9885 Ų8537%0.3745%0.454SS..  trans-60.2130.2171.5-178.2179.975-148.3-1.2109.9E338 F342 D343R286-E338 IonicContact NH1-OE1 3.38Å; R286-E338 PolarHBondContact NH1-OE1 3.41Å; R286-F342 VanDerWaalsContact CD-O 3.27Å; R286-F342 WeakPolarHBondContact CD-O 3.37Å; R286-D343 HydrophobicContact CG-CB 3.82Å
287K84.9Confident75.6Confident61 Ų6190.9 Ų90.927%0.26548%0.481SS..  trans-107.2133.7171.7-68.8-164.7177.4-168.10110.4K285 D291 D343 C344K285-K287 PolarHBondContact O-N 3.39Å; K287-D291 IonicContact NZ-OD2 2.67Å; K287-D291 PolarHBondContact NZ-OD2 3.5Å; K287-D343 PolarHBondContact N-OD1 3.49Å; K287-D343 VanDerWaalsContact N-OD1 3.09Å; K287-D343 WeakPolarHBondContact O-CA 3.41Å; K287-C344 WeakPolarHBondContact CB-SG 3.48Å; K287-C344 PolarHBondContact O-N 3.21Å; K287-C344 PolarHBondContact O-SG 3.19Å
288R78.6Confident73.7Confident183 Ų18391.1 Ų91.169%0.69148%0.479SS*.SBendtrans-92.1-27.3-176.6-77.7-173.5-88.4-176.9-3.9113.3F342R288-F342 WeakPolarHBondContact O-CE1 3.4Å
289D71.3Confident72.5Confident118 Ų11891.2 Ų91.263%0.63148%0.482SS*.SBendtrans-121.4146.6-178.8-57.9-37.7000109.1D291 C344D289-D291 PolarHBondContact O-N 3.09Å; D289-C344 PolarHBondContact O-SG 3.2Å
290F67.2Low71.8Confident109 Ų10986.5 Ų86.548%0.47846%0.457SS..  trans-67117.4157.9-59.3-84.6000104.5G292 C344 L347F290-G292 PolarHBondContact O-N 3.21Å; F290-C344 HydrophobicContact CD1-CB 4Å; F290-C344 HydrophobicContact CD2-CB 4.43Å; F290-C344 HydrophobicContact CE1-CB 3.83Å; F290-C344 HydrophobicContact CE2-CB 4.28Å; F290-C344 HydrophobicContact CG-CB 4.31Å; F290-C344 HydrophobicContact CZ-CB 3.97Å; F290-L347 HydrophobicContact CE1-CD2 4.39Å; F290-L347 HydrophobicContact CZ-CD2 4.12Å
291D61Low71.5Confident86 Ų8685.7 Ų85.746%0.4645%0.446SS..  trans-62.253.1-169.9-72.9-36.8000114.2K287 D289 K293K287-D291 IonicContact NZ-OD2 2.67Å; K287-D291 PolarHBondContact NZ-OD2 3.5Å; D289-D291 PolarHBondContact O-N 3.09Å; D291-K293 PolarHBondContact O-N 3.16Å
292G53.5Low71.3Confident75 Ų7584.3 Ų84.377%0.77344%0.44SS*.SBendtrans61.5-1.2-175.700000115.3F290 P294F290-G292 PolarHBondContact O-N 3.21Å; G292-P294 WeakPolarHBondContact O-CD 3.2Å
293K54.9Low71.3Confident130 Ų13080.4 Ų80.457%0.56542%0.422SS*.  trans-86.1112-177.6-69.4-175.8-179.4-175.60109.9D291 N295 G296D291-K293 PolarHBondContact O-N 3.16Å; K293-N295 PolarHBondContact O-N 3.3Å; K293-N295 VanDerWaalsContact O-N 3.1Å; K293-G296 PolarHBondContact O-N 3.32Å
294P49.8Very low71.3Confident128 Ų12879 Ų7983%0.83142%0.417SS*.THydrogen-bonded Turntrans-63.9-19.4-175.824.2-33.1000113.2G292 G296G292-P294 WeakPolarHBondContact O-CD 3.2Å; P294-G296 PolarHBondContact O-N 2.95Å
295N49.8Very low71.4Confident129 Ų12978.2 Ų78.269%0.6941%0.413SS*.THydrogen-bonded Turntrans-87.92-172.1-73.3-3.2000114.9K293 Q297K293-N295 PolarHBondContact O-N 3.3Å; K293-N295 VanDerWaalsContact O-N 3.1Å; N295-Q297 PolarHBondContact O-N 2.91Å
296G45.2Very low71.7Confident53 Ų5375.8 Ų75.855%0.54640%0.403SS..  trans58.9-4.9173.300000115.8K293 P294 N298K293-G296 PolarHBondContact O-N 3.32Å; P294-G296 PolarHBondContact O-N 2.95Å; G296-N298 PolarHBondContact O-N 3Å
297Q50.5Low72.1Confident134 Ų13473 Ų7363%0.62639%0.394SS*.  trans-76.367.4167.5-66.3-178.9-3.800106.2N295 E299N295-Q297 PolarHBondContact O-N 2.91Å; Q297-E299 HydrophobicContact CB-CG 4.43Å; Q297-E299 PolarHBondContact O-N 3.39Å
298N52.9Low72.7Confident26 Ų2670.7 Ų70.714%0.13939%0.386CS..  trans-59.298.8142-85.7-15.6000103.9G296 N300G296-N298 PolarHBondContact O-N 3Å; N298-N300 HydrophobicContact CB-CB 4.49Å; N298-N300 PolarHBondContact O-N 3.15Å
299E69.3Low73.7Confident156 Ų15662 Ų6273%0.72935%0.353SS*.  trans-62.625.9172.8-64.5174.516300111.5Q297 P301Q297-E299 HydrophobicContact CB-CG 4.43Å; Q297-E299 PolarHBondContact O-N 3.39Å; E299-P301 VanDerWaalsContact O-CD 3.27Å; E299-P301 WeakPolarHBondContact O-CD 3.42Å
300N81.8Confident75Confident19 Ų1956.4 Ų56.410%0.10232%0.323CS..  trans-69.2114.4174.4178.2-16.9000107.8I283 N298 A302 S303I283-N300 WeakPolarHBondContact CB-OD1 3.35Å; I283-N300 PolarHBondContact O-ND2 2.63Å; I283-N300 PolarHBondContact O-OD1 3.29Å; N298-N300 HydrophobicContact CB-CB 4.49Å; N298-N300 PolarHBondContact O-N 3.15Å; N300-A302 PolarHBondContact O-N 3.35Å; N300-A302 WeakPolarHBondContact OD1-CB 3.39Å; N300-A302 PolarHBondContact OD1-N 2.92Å; N300-S303 WeakPolarHBondContact O-CB 3.22Å; N300-S303 PolarHBondContact O-N 2.55Å
301P85.6Confident76.5Confident13 Ų1354.1 Ų54.18%0.08431%0.311CS..THydrogen-bonded Turntrans-61.1-29-176.726.8-37.5000112.6E229 L232 I283 E299 S303E229-P301 HydrophobicContact CB-CB 3.92Å; E229-P301 HydrophobicContact CG-CB 3.91Å; E229-P301 HydrophobicContact CG-CG 4Å; L232-P301 HydrophobicContact CB-CB 4.4Å; L232-P301 HydrophobicContact CD1-CB 4.23Å; L232-P301 HydrophobicContact CD1-CG 4.1Å; I283-P301 HydrophobicContact CD1-CG 4.25Å; I283-P301 HydrophobicContact CG2-CG 4.48Å; E299-P301 VanDerWaalsContact O-CD 3.27Å; E299-P301 WeakPolarHBondContact O-CD 3.42Å; P301-S303 VanDerWaalsContact C-N 3.33Å
302A90Very high78.3Confident7 Ų750 Ų506%0.05829%0.289CS..THydrogen-bonded Turntrans-82.6-5.2177.600000113.8L232 Y284 N300 G304 L305L232-A302 HydrophobicContact CD1-CB 4.35Å; Y284-A302 HydrophobicContact CD1-CB 3.89Å; Y284-A302 HydrophobicContact CE1-CB 3.66Å; N300-A302 PolarHBondContact O-N 3.35Å; N300-A302 WeakPolarHBondContact OD1-CB 3.39Å; N300-A302 PolarHBondContact OD1-N 2.92Å; A302-G304 PolarHBondContact O-N 3.37Å; A302-L305 WeakPolarHBondContact O-CB 3.19Å; A302-L305 PolarHBondContact O-N 2.91Å
303S89.3Confident80.4Confident30 Ų3046.4 Ų46.421%0.2125%0.252CS..THydrogen-bonded Turntrans-56.5131.3-178.4176.80000111.7R236 N300 P301 L305 C345R236-S303 WeakPolarHBondContact CD-O 3.4Å; R236-S303 PolarHBondContact NH1-O 2.89Å; N300-S303 WeakPolarHBondContact O-CB 3.22Å; N300-S303 PolarHBondContact O-N 2.55Å; P301-S303 VanDerWaalsContact C-N 3.33Å; S303-L305 PolarHBondContact O-N 3.02Å; S303-C345 CarbonylContact C-O 3.55Å; S303-C345 PolarHBondContact OG-O 3.38Å
304G91.9Very high82.5Confident9 Ų940.2 Ų40.29%0.09323%0.225CC..THydrogen-bonded Turntrans77-7.2-177.700000115.1A302 C308 C345 N346A302-G304 PolarHBondContact O-N 3.37Å; G304-C308 WeakPolarHBondContact O-CB 3.31Å; G304-C308 PolarHBondContact O-N 3.48Å; G304-C308 PolarHBondContact O-SG 3.42Å; G304-C345 PolarHBondContact N-O 3.28Å; G304-N346 VanDerWaalsContact CA-OD1 3.3Å; G304-N346 WeakPolarHBondContact CA-OD1 3.3Å; G304-N346 PolarHBondContact N-OD1 3.48Å
305L95.8Very high84.8Confident1 Ų134.6 Ų34.61%0.00519%0.188CC..Hα-helixtrans-64.3-48.9176.6177.859.7000110.9L232 L235 R236 V239 I269 I273 A302 S303 Q307 C308 C309L232-L305 HydrophobicContact CD2-CD2 4.4Å; L235-L305 HydrophobicContact CD2-CD2 4.24Å; L235-L305 HydrophobicContact CG-CD1 4.27Å; R236-L305 HydrophobicContact CB-CB 4.38Å; R236-L305 HydrophobicContact CB-CD1 4.03Å; R236-L305 HydrophobicContact CG-CB 4.41Å; V239-L305 HydrophobicContact CG2-CD1 4.37Å; I269-L305 HydrophobicContact CG2-CD1 4.38Å; I269-L305 HydrophobicContact CG2-CD2 4.49Å; I273-L305 HydrophobicContact CG2-CD2 4.13Å; A302-L305 WeakPolarHBondContact O-CB 3.19Å; A302-L305 PolarHBondContact O-N 2.91Å; S303-L305 PolarHBondContact O-N 3.02Å; L305-Q307 PolarHBondContact O-N 3.46Å; L305-C308 PolarHBondContact O-N 3.47Å; L305-C309 PolarHBondContact O-N 2.95Å; L305-C309 PolarHBondContact O-SG 3.13Å
306K96.1Very high87.1Confident27 Ų2728.4 Ų28.412%0.11716%0.155CC..Hα-helixtrans-61-45177.7-167.5168.3-169.6164.70110.8L270 I273 D274 C308 C309 I310 S339 N346 M349L270-K306 HydrophobicContact CD1-CD 4.43Å; L270-K306 HydrophobicContact CD1-CG 3.77Å; I273-K306 HydrophobicContact CD1-CB 3.75Å; I273-K306 HydrophobicContact CD1-CD 4.44Å; I273-K306 HydrophobicContact CD1-CG 3.93Å; D274-K306 IonicContact OD1-NZ 3.02Å; D274-K306 PolarHBondContact OD1-NZ 3.34Å; D274-K306 VanDerWaalsContact OD1-NZ 3.08Å; K306-C308 PolarHBondContact O-N 2.97Å; K306-C309 PolarHBondContact O-N 3.09Å; K306-I310 WeakPolarHBondContact O-CG1 3.25Å; K306-I310 PolarHBondContact O-N 3.25Å; K306-S339 WeakPolarHBondContact CE-OG 3.48Å; K306-N346 WeakPolarHBondContact CB-OD1 3.28Å; K306-N346 PolarHBondContact N-OD1 3.24Å; K306-M349 HydrophobicContact CD-SD 4.04Å; K306-M349 HydrophobicContact CG-SD 4.05Å
307Q95.4Very high89.6Confident38 Ų3825.9 Ų25.918%0.17813%0.129CC..Hα-helixtrans-54.8-48.8173.2-178.3-159.5-7.600112.2L305 C309 I310 R311 N346 L347L305-Q307 PolarHBondContact O-N 3.46Å; Q307-C309 VanDerWaalsContact C-N 3.32Å; Q307-C309 PolarHBondContact O-N 3.13Å; Q307-I310 PolarHBondContact O-N 3.33Å; Q307-R311 WeakPolarHBondContact O-CB 3.27Å; Q307-R311 PolarHBondContact O-N 3.31Å; Q307-N346 HydrophobicContact CB-CB 4Å; Q307-N346 PolarHBondContact N-OD1 2.86Å; Q307-N346 VanDerWaalsContact N-OD1 3.07Å; Q307-L347 WeakPolarHBondContact CG-O 3.43Å; Q307-L347 PolarHBondContact NE2-O 3.02Å; Q307-L347 PolarHBondContact OE1-O 3.06Å
308C97.6Very high91.8Very high14 Ų1420.2 Ų20.210%0.09510%0.104CC..Hα-helixtrans-63-39.4179.5-69.80000111.4V239 C243 G304 L305 K306 R311 L312V239-C308 HydrophobicContact CB-CB 4.29Å; V239-C308 HydrophobicContact CG1-CB 3.72Å; C243-C308 PolarHBondContact SG-O 2.7Å; G304-C308 WeakPolarHBondContact O-CB 3.31Å; G304-C308 PolarHBondContact O-N 3.48Å; G304-C308 PolarHBondContact O-SG 3.42Å; L305-C308 PolarHBondContact O-N 3.47Å; K306-C308 PolarHBondContact O-N 2.97Å; C308-R311 PolarHBondContact O-N 3.42Å; C308-L312 WeakPolarHBondContact O-CB 3.42Å; C308-L312 PolarHBondContact O-N 2.98Å
309C98.7Very high93.8Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-61.5-48.8176.2-64.10000111.5V266 L270 L305 K306 Q307 R311 L312 I313V266-C309 HydrophobicContact CG2-CB 3.72Å; L270-C309 HydrophobicContact CB-CB 4.21Å; L270-C309 HydrophobicContact CD1-CB 4.4Å; L305-C309 PolarHBondContact O-N 2.95Å; L305-C309 PolarHBondContact O-SG 3.13Å; K306-C309 PolarHBondContact O-N 3.09Å; Q307-C309 VanDerWaalsContact C-N 3.32Å; Q307-C309 PolarHBondContact O-N 3.13Å; C309-R311 PolarHBondContact O-N 3.4Å; C309-L312 PolarHBondContact O-N 3.37Å; C309-I313 WeakPolarHBondContact O-CD1 3.15Å; C309-I313 VanDerWaalsContact O-CG1 3.28Å; C309-I313 WeakPolarHBondContact O-CG1 3.49Å; C309-I313 PolarHBondContact O-N 2.88Å
310I98.5Very high95Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-63.2-42.9179.1-60.4-70.7000111.2L270 K306 Q307 L312 I313 A314 V336 W352 A353L270-I310 HydrophobicContact CD1-CD1 4.1Å; L270-I310 HydrophobicContact CD1-CG1 4.47Å; L270-I310 HydrophobicContact CD2-CD1 3.46Å; L270-I310 VanDerWaalsContact CD2-CD1 3.46Å; L270-I310 HydrophobicContact CD2-CG1 4.44Å; L270-I310 HydrophobicContact CG-CD1 4.46Å; K306-I310 WeakPolarHBondContact O-CG1 3.25Å; K306-I310 PolarHBondContact O-N 3.25Å; Q307-I310 PolarHBondContact O-N 3.33Å; I310-L312 PolarHBondContact O-N 3.44Å; I310-I313 PolarHBondContact O-N 3.46Å; I310-A314 WeakPolarHBondContact O-CB 3.37Å; I310-A314 PolarHBondContact O-N 3.48Å; I310-V336 HydrophobicContact CD1-CB 4.47Å; I310-V336 HydrophobicContact CD1-CG2 3.99Å; I310-W352 HydrophobicContact CB-CB 4.39Å; I310-W352 VanDerWaalsContact CG2-C 3.49Å; I310-W352 HydrophobicContact CG2-CB 3.75Å; I310-A353 HydrophobicContact CG2-CB 4.08Å
311R98.3Very high95.8Very high61 Ų6122.8 Ų22.823%0.2312%0.118CC..Hα-helixtrans-59.2-46.9174.3175.2177.7176.2-171.8-0.6111.5C243 S247 Q307 C308 C309 A314 N315 W352C243-R311 HydrophobicContact CB-CG 4.33Å; S247-R311 PolarHBondContact OG-NH2 3.35Å; Q307-R311 WeakPolarHBondContact O-CB 3.27Å; Q307-R311 PolarHBondContact O-N 3.31Å; C308-R311 PolarHBondContact O-N 3.42Å; C309-R311 PolarHBondContact O-N 3.4Å; R311-A314 WeakPolarHBondContact O-CB 3.45Å; R311-A314 PolarHBondContact O-N 2.94Å; R311-N315 PolarHBondContact O-N 2.96Å; R311-N315 PolarHBondContact O-OD1 2.85Å; R311-W352 HydrophobicContact CB-CB 4.44Å; R311-W352 HydrophobicContact CB-CD2 3.68Å; R311-W352 HydrophobicContact CB-CE3 4.01Å; R311-W352 HydrophobicContact CB-CG 3.86Å; R311-W352 HydrophobicContact CG-CD2 3.75Å; R311-W352 HydrophobicContact CG-CE3 3.76Å; R311-W352 HydrophobicContact CG-CG 4.46Å; R311-W352 HydrophobicContact CG-CH2 3.91Å; R311-W352 HydrophobicContact CG-CZ2 3.89Å; R311-W352 HydrophobicContact CG-CZ3 3.84Å
312L98.7Very high96.4Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-63.9-43.5179.9-177.654.9000110.8V239 F242 T246 L262 V266 C308 C309 I310 A314 N315 L316V239-L312 HydrophobicContact CG1-CB 4.38Å; V239-L312 HydrophobicContact CG1-CD2 3.99Å; F242-L312 HydrophobicContact CB-CD1 3.88Å; F242-L312 HydrophobicContact CB-CD2 3.68Å; F242-L312 HydrophobicContact CB-CG 4.47Å; F242-L312 HydrophobicContact CG-CD2 4.5Å; T246-L312 HydrophobicContact CG2-CD1 4.08Å; L262-L312 HydrophobicContact CD1-CD2 4.15Å; L262-L312 HydrophobicContact CG-CD2 4.43Å; V266-L312 HydrophobicContact CB-CD2 4.04Å; V266-L312 HydrophobicContact CG1-CD2 4.35Å; V266-L312 HydrophobicContact CG1-CG 4.37Å; V266-L312 HydrophobicContact CG2-CB 4.19Å; V266-L312 HydrophobicContact CG2-CD2 3.95Å; V266-L312 HydrophobicContact CG2-CG 4.33Å; C308-L312 WeakPolarHBondContact O-CB 3.42Å; C308-L312 PolarHBondContact O-N 2.98Å; C309-L312 PolarHBondContact O-N 3.37Å; I310-L312 PolarHBondContact O-N 3.44Å; L312-A314 VanDerWaalsContact C-N 3.31Å; L312-A314 PolarHBondContact O-N 3.23Å; L312-N315 WeakPolarHBondContact O-CB 3.26Å; L312-N315 PolarHBondContact O-N 3.32Å; L312-N315 VanDerWaalsContact O-N 3.15Å; L312-L316 HydrophobicContact CD1-CD1 4.11Å; L312-L316 HydrophobicContact CD1-CD2 4.23Å; L312-L316 HydrophobicContact CD1-CG 3.95Å; L312-L316 HydrophobicContact CG-CD1 3.92Å; L312-L316 HydrophobicContact CG-CG 4.22Å; L312-L316 VanDerWaalsContact O-CG 3.25Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 3.44Å
313I98.7Very high96.8Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-57.8-44.8173.3-68158.7000110.8L263 V266 V267 L270 C309 I310 N315 L316 T317 V332L263-I313 HydrophobicContact CD1-CG1 4.31Å; V266-I313 HydrophobicContact CG1-CD1 4.47Å; V266-I313 HydrophobicContact CG1-CG1 3.7Å; V266-I313 HydrophobicContact CG2-CG1 4.38Å; V267-I313 HydrophobicContact CG2-CD1 4.19Å; V267-I313 HydrophobicContact CG2-CG1 4.28Å; L270-I313 HydrophobicContact CD2-CD1 3.48Å; L270-I313 VanDerWaalsContact CD2-CD1 3.48Å; C309-I313 WeakPolarHBondContact O-CD1 3.15Å; C309-I313 VanDerWaalsContact O-CG1 3.28Å; C309-I313 WeakPolarHBondContact O-CG1 3.49Å; C309-I313 PolarHBondContact O-N 2.88Å; I310-I313 PolarHBondContact O-N 3.46Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 2.97Å; I313-L316 PolarHBondContact O-N 3.23Å; I313-T317 HydrophobicContact CG2-CG2 4.31Å; I313-T317 WeakPolarHBondContact O-CB 3.24Å; I313-T317 WeakPolarHBondContact O-CG2 3.32Å; I313-T317 PolarHBondContact O-N 3.29Å; I313-T317 PolarHBondContact O-OG1 2.82Å; I313-V332 HydrophobicContact CD1-CG2 3.98Å
314A98.5Very high97.2Very high0 Ų022.5 Ų22.50%012%0.122CC..Hα-helixtrans-58.9-43.5176.700000111.8I310 R311 L312 T317 C318 W352 F355 A356 N359I310-A314 WeakPolarHBondContact O-CB 3.37Å; I310-A314 PolarHBondContact O-N 3.48Å; R311-A314 WeakPolarHBondContact O-CB 3.45Å; R311-A314 PolarHBondContact O-N 2.94Å; L312-A314 VanDerWaalsContact C-N 3.31Å; L312-A314 PolarHBondContact O-N 3.23Å; A314-T317 PolarHBondContact O-OG1 3.39Å; A314-C318 PolarHBondContact O-N 3.09Å; A314-C318 VanDerWaalsContact O-N 3.16Å; A314-W352 HydrophobicContact CB-CE3 4.46Å; A314-F355 HydrophobicContact CB-CD1 3.75Å; A314-F355 HydrophobicContact CB-CE1 4.44Å; A314-F355 HydrophobicContact CB-CG 4.46Å; A314-A356 HydrophobicContact CB-CB 3.79Å; A314-N359 PolarHBondContact O-ND2 3.21Å
315N98Very high97.5Very high9 Ų923.3 Ų23.35%0.04813%0.125CC..Hα-helixtrans-63.4-52.9176.8-71.1-1.5000110.6C243 T246 S247 R257 R311 L312 I313 T317 C318C243-N315 PolarHBondContact O-ND2 3.4Å; T246-N315 WeakPolarHBondContact OG1-CB 3.46Å; T246-N315 PolarHBondContact OG1-ND2 3.4Å; S247-N315 PolarHBondContact OG-ND2 3.16Å; R257-N315 VanDerWaalsContact CZ-O 3.24Å; R257-N315 PolarHBondContact NE-O 3.45Å; R257-N315 PolarHBondContact NH2-O 3.23Å; R311-N315 PolarHBondContact O-N 2.96Å; R311-N315 PolarHBondContact O-OD1 2.85Å; L312-N315 WeakPolarHBondContact O-CB 3.26Å; L312-N315 PolarHBondContact O-N 3.32Å; L312-N315 VanDerWaalsContact O-N 3.15Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 2.97Å; N315-T317 PolarHBondContact O-N 3.3Å; N315-C318 PolarHBondContact O-N 3.23Å
316L98.4Very high97.7Very high0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-63.9-23.6-176.9-63176.1000113.9T246 R257 L262 L263 V266 L312 I313 N323T246-L316 HydrophobicContact CG2-CD2 3.99Å; R257-L316 WeakPolarHBondContact O-CD2 3.36Å; L262-L316 HydrophobicContact CD2-CD1 4.38Å; L262-L316 HydrophobicContact CD2-CD2 4.06Å; L262-L316 HydrophobicContact CG-CD1 4.01Å; L263-L316 HydrophobicContact CB-CD1 3.95Å; L263-L316 HydrophobicContact CD1-CB 4.33Å; L263-L316 HydrophobicContact CD1-CD1 4.12Å; V266-L316 HydrophobicContact CG1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CD1 4.11Å; L312-L316 HydrophobicContact CD1-CD2 4.23Å; L312-L316 HydrophobicContact CD1-CG 3.95Å; L312-L316 HydrophobicContact CG-CD1 3.92Å; L312-L316 HydrophobicContact CG-CG 4.22Å; L312-L316 VanDerWaalsContact O-CG 3.25Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 3.44Å; I313-L316 PolarHBondContact O-N 3.23Å; L316-N323 VanDerWaalsContact O-CB 3.25Å; L316-N323 WeakPolarHBondContact O-CB 3.24Å; L316-N323 PolarHBondContact O-ND2 2.81Å
317T98Very high97.8Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-95.1-19.7-179.552.70000114I313 A314 N315 D319 H320 C324 A327 M360I313-T317 HydrophobicContact CG2-CG2 4.31Å; I313-T317 WeakPolarHBondContact O-CB 3.24Å; I313-T317 WeakPolarHBondContact O-CG2 3.32Å; I313-T317 PolarHBondContact O-N 3.29Å; I313-T317 PolarHBondContact O-OG1 2.82Å; A314-T317 PolarHBondContact O-OG1 3.39Å; N315-T317 PolarHBondContact O-N 3.3Å; T317-D319 PolarHBondContact O-N 3.3Å; T317-H320 PolarHBondContact O-N 3.46Å; T317-C324 PolarHBondContact O-SG 2.9Å; T317-A327 HydrophobicContact CG2-CB 4.1Å; T317-M360 HydrophobicContact CG2-CG 3.87Å; T317-M360 HydrophobicContact CG2-SD 4.48Å
318C96.1Very high97.8Very high15 Ų1525.6 Ų25.610%0.10113%0.134CC..THydrogen-bonded Turntrans-68.2128.5-179.7152.30000112R257 A314 N315 H320 F355 N359R257-C318 PolarHBondContact NE-O 3.42Å; R257-C318 VanDerWaalsContact NE-O 3.14Å; R257-C318 PolarHBondContact NH1-O 2.87Å; R257-C318 PolarHBondContact NH2-O 3.15Å; R257-C318 PolarHBondContact NH2-SG 3.06Å; A314-C318 PolarHBondContact O-N 3.09Å; A314-C318 VanDerWaalsContact O-N 3.16Å; N315-C318 PolarHBondContact O-N 3.23Å; C318-H320 PolarHBondContact O-N 2.88Å; C318-H320 VanDerWaalsContact O-N 3.1Å; C318-F355 HydrophobicContact CB-CZ 4.43Å; C318-N359 HydrophobicContact CB-CB 4.11Å; C318-N359 VanDerWaalsContact CB-CG 3.45Å; C318-N359 WeakPolarHBondContact CB-ND2 3.48Å
319D93.9Very high97.9Very high104 Ų10432.4 Ų32.456%0.55616%0.162SC*.THydrogen-bonded Turntrans5030.1-176.3-54.2-38000114.1T317 K362T317-D319 PolarHBondContact O-N 3.3Å; D319-K362 IonicContact OD1-NZ 2.91Å; D319-K362 PolarHBondContact OD1-NZ 3.36Å
320H96.6Very high97.9Very high45 Ų4534 Ų3421%0.20817%0.17CC..  trans-132.886.7179.4-168-58.4000112S258 T317 C318 G322 N323 C324S258-H320 WeakPolarHBondContact CA-NE2 3.43Å; S258-H320 VanDerWaalsContact CB-NE2 3.27Å; S258-H320 WeakPolarHBondContact CB-NE2 3.41Å; S258-H320 PolarHBondContact OG-CD2 3.31Å; S258-H320 VanDerWaalsContact OG-CD2 3.26Å; S258-H320 PolarHBondContact OG-NE2 3.08Å; T317-H320 PolarHBondContact O-N 3.46Å; C318-H320 PolarHBondContact O-N 2.88Å; C318-H320 VanDerWaalsContact O-N 3.1Å; H320-G322 VanDerWaalsContact C-N 3.33Å; H320-G322 PolarHBondContact ND1-N 3.1Å; H320-G322 PolarHBondContact O-N 3.06Å; H320-N323 HydrophobicContact CB-CB 4.36Å; H320-N323 WeakPolarHBondContact ND1-CB 3.34Å; H320-N323 PolarHBondContact ND1-N 3.46Å; H320-N323 VanDerWaalsContact ND1-N 3.11Å; H320-N323 PolarHBondContact O-N 2.68Å; H320-C324 PolarHBondContact O-N 3.47Å; H320-C324 VanDerWaalsContact O-N 3.11Å; H320-C324 PolarHBondContact O-SG 2.85Å
321H97.2Very high97.7Very high105 Ų10535.7 Ų35.749%0.48619%0.188SC..Hα-helixtrans-49.8-45-177.6-178.375.7000114.5N323 C324 V325 E363H321-N323 PolarHBondContact O-N 3.27Å; H321-C324 WeakPolarHBondContact O-CB 3.5Å; H321-C324 PolarHBondContact O-N 3.37Å; H321-C324 VanDerWaalsContact O-N 3.12Å; H321-V325 WeakPolarHBondContact O-CG2 3.34Å; H321-V325 PolarHBondContact O-N 3.03Å; H321-E363 PolarHBondContact CE1-O 3.29Å; H321-E363 PolarHBondContact ND1-O 3.13Å
322G98.2Very high97.7Very high41 Ų4132.8 Ų32.842%0.42318%0.177SC..Hα-helixtrans-58.2-47.8-17900000113.4H320 V325 L326H320-G322 VanDerWaalsContact C-N 3.33Å; H320-G322 PolarHBondContact ND1-N 3.1Å; H320-G322 PolarHBondContact O-N 3.06Å; G322-V325 PolarHBondContact O-N 3.35Å; G322-L326 WeakPolarHBondContact O-CB 3.37Å; G322-L326 PolarHBondContact O-N 3.18Å
323N98.5Very high97.5Very high3 Ų333 Ų332%0.01618%0.178CC..Hα-helixtrans-64.1-36.3173.4-78.2-4.6000113.1R257 L263 L316 H320 H321 L326 A327R257-N323 PolarHBondContact O-ND2 3.42Å; L263-N323 HydrophobicContact CD2-CB 3.75Å; L263-N323 WeakPolarHBondContact CD2-O 3.48Å; L316-N323 VanDerWaalsContact O-CB 3.25Å; L316-N323 WeakPolarHBondContact O-CB 3.24Å; L316-N323 PolarHBondContact O-ND2 2.81Å; H320-N323 HydrophobicContact CB-CB 4.36Å; H320-N323 WeakPolarHBondContact ND1-CB 3.34Å; H320-N323 PolarHBondContact ND1-N 3.46Å; H320-N323 VanDerWaalsContact ND1-N 3.11Å; H320-N323 PolarHBondContact O-N 2.68Å; H321-N323 PolarHBondContact O-N 3.27Å; N323-L326 PolarHBondContact O-N 3.25Å; N323-A327 VanDerWaalsContact O-CB 3.25Å; N323-A327 WeakPolarHBondContact O-CB 3.41Å; N323-A327 PolarHBondContact O-N 3.34Å
324C98.4Very high97.3Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-62.9-46.8173.7-65.50000111.8T317 H320 H321 L326 A327 R328 E363 D364T317-C324 PolarHBondContact O-SG 2.9Å; H320-C324 PolarHBondContact O-N 3.47Å; H320-C324 VanDerWaalsContact O-N 3.11Å; H320-C324 PolarHBondContact O-SG 2.85Å; H321-C324 WeakPolarHBondContact O-CB 3.5Å; H321-C324 PolarHBondContact O-N 3.37Å; H321-C324 VanDerWaalsContact O-N 3.12Å; C324-L326 VanDerWaalsContact C-N 3.32Å; C324-L326 PolarHBondContact O-N 2.76Å; C324-A327 PolarHBondContact O-N 3.42Å; C324-R328 PolarHBondContact O-N 2.68Å; C324-R328 VanDerWaalsContact O-N 3.08Å; C324-E363 HydrophobicContact CB-CB 4.01Å; C324-D364 HydrophobicContact CB-CB 3.91Å
325V98.4Very high97.2Very high26 Ų2636.6 Ų36.616%0.15820%0.201CC..Hα-helixtrans-61.2-42.2175.6169.20000111.2H321 G322 K329 D364H321-V325 WeakPolarHBondContact O-CG2 3.34Å; H321-V325 PolarHBondContact O-N 3.03Å; G322-V325 PolarHBondContact O-N 3.35Å; V325-K329 HydrophobicContact CG1-CD 4.23Å; V325-K329 WeakPolarHBondContact O-CG 3.47Å; V325-K329 PolarHBondContact O-N 2.9Å; V325-K329 VanDerWaalsContact O-N 3.07Å; V325-D364 HydrophobicContact CG2-CB 4.42Å
326L98.7Very high97.1Very high43 Ų4336.2 Ų36.223%0.22520%0.198CC..Hα-helixtrans-65.9-46.7177.918057000111.6A260 L263 G322 N323 C324 R328 K329 L330A260-L326 HydrophobicContact CB-CD2 3.77Å; L263-L326 HydrophobicContact CD2-CB 4.04Å; L263-L326 HydrophobicContact CD2-CD2 4.05Å; L263-L326 HydrophobicContact CD2-CG 4.05Å; G322-L326 WeakPolarHBondContact O-CB 3.37Å; G322-L326 PolarHBondContact O-N 3.18Å; N323-L326 PolarHBondContact O-N 3.25Å; C324-L326 VanDerWaalsContact C-N 3.32Å; C324-L326 PolarHBondContact O-N 2.76Å; L326-R328 VanDerWaalsContact C-N 3.29Å; L326-R328 PolarHBondContact O-N 3.07Å; L326-K329 PolarHBondContact O-N 3.37Å; L326-L330 HydrophobicContact CD1-CD1 4.04Å; L326-L330 HydrophobicContact CD1-CD2 4.36Å; L326-L330 HydrophobicContact CD1-CG 3.93Å; L326-L330 HydrophobicContact CG-CD1 3.89Å; L326-L330 HydrophobicContact CG-CG 4.25Å; L326-L330 WeakPolarHBondContact O-CG 3.34Å; L326-L330 PolarHBondContact O-N 3.43Å
327A98.5Very high96.9Very high0 Ų038.3 Ų38.30%021%0.21CC..Hα-helixtrans-55.7-43.1177.200000111.9L263 T317 N323 C324 L330 G331 V332 M360L263-A327 HydrophobicContact CD2-CB 4.2Å; T317-A327 HydrophobicContact CG2-CB 4.1Å; N323-A327 VanDerWaalsContact O-CB 3.25Å; N323-A327 WeakPolarHBondContact O-CB 3.41Å; N323-A327 PolarHBondContact O-N 3.34Å; C324-A327 PolarHBondContact O-N 3.42Å; A327-L330 PolarHBondContact O-N 3.27Å; A327-G331 PolarHBondContact O-N 3.42Å; A327-V332 HydrophobicContact CB-CG1 3.92Å; A327-V332 WeakPolarHBondContact O-CG1 3.38Å; A327-V332 PolarHBondContact O-N 3.45Å; A327-M360 HydrophobicContact CB-CG 4.49Å; A327-M360 HydrophobicContact CB-SD 3.71Å
328R97.1Very high96.6Very high71 Ų7141.5 Ų41.527%0.26823%0.225SC..Hα-helixtrans-59.8-50.9172.2-176.1-174.759.8-153.9-16111.8C324 L326 L330 G331 L333 D364 G366C324-R328 PolarHBondContact O-N 2.68Å; C324-R328 VanDerWaalsContact O-N 3.08Å; L326-R328 VanDerWaalsContact C-N 3.29Å; L326-R328 PolarHBondContact O-N 3.07Å; R328-L330 VanDerWaalsContact C-N 3.26Å; R328-L330 PolarHBondContact O-N 3.02Å; R328-G331 PolarHBondContact O-N 3.34Å; R328-L333 HydrophobicContact CB-CD1 4.47Å; R328-L333 HydrophobicContact CG-CD1 4.04Å; R328-D364 VanDerWaalsContact CD-OD2 3.27Å; R328-D364 WeakPolarHBondContact CD-OD2 3.33Å; R328-D364 VanDerWaalsContact CZ-CG 3.44Å; R328-D364 IonicContact CZ-OD1 3.86Å; R328-D364 IonicContact CZ-OD2 3.19Å; R328-D364 IonicContact NE-OD2 2.91Å; R328-D364 PolarHBondContact NE-OD2 3.22Å; R328-D364 IonicContact NH1-OD1 2.71Å; R328-D364 PolarHBondContact NH1-OD1 3.34Å; R328-D364 IonicContact NH1-OD2 2.65Å; R328-D364 PolarHBondContact NH1-OD2 3.4Å; R328-D364 IonicContact NH2-OD1 3.75Å; R328-D364 PolarHBondContact NH2-OD1 2.86Å; R328-D364 IonicContact NH2-OD2 3.24Å; R328-D364 PolarHBondContact NH2-OD2 2.97Å; R328-G366 VanDerWaalsContact NH1-N 3.17Å
329K98.1Very high96.5Very high158 Ų15840.9 Ų40.969%0.68722%0.22SC*.Hα-helixtrans-61.2-33.7-178.9-75.2178.9177.3-176.20112.7V325 L326 G331V325-K329 HydrophobicContact CG1-CD 4.23Å; V325-K329 WeakPolarHBondContact O-CG 3.47Å; V325-K329 PolarHBondContact O-N 2.9Å; V325-K329 VanDerWaalsContact O-N 3.07Å; L326-K329 PolarHBondContact O-N 3.37Å; K329-G331 PolarHBondContact O-N 2.86Å
330L98.3Very high96.4Very high33 Ų3338.4 Ų38.417%0.17321%0.209CC..THydrogen-bonded Turntrans-74.4-5.5175.4-65.9172.8000113.3V267 R271 L326 A327 R328V267-L330 HydrophobicContact CB-CD1 4.07Å; V267-L330 HydrophobicContact CG1-CB 3.76Å; V267-L330 HydrophobicContact CG1-CD1 4.18Å; V267-L330 HydrophobicContact CG2-CD1 4.13Å; R271-L330 PolarHBondContact NH1-O 2.94Å; R271-L330 VanDerWaalsContact NH1-O 3.13Å; L326-L330 HydrophobicContact CD1-CD1 4.04Å; L326-L330 HydrophobicContact CD1-CD2 4.36Å; L326-L330 HydrophobicContact CD1-CG 3.93Å; L326-L330 HydrophobicContact CG-CD1 3.89Å; L326-L330 HydrophobicContact CG-CG 4.25Å; L326-L330 WeakPolarHBondContact O-CG 3.34Å; L326-L330 PolarHBondContact O-N 3.43Å; A327-L330 PolarHBondContact O-N 3.27Å; R328-L330 VanDerWaalsContact C-N 3.26Å; R328-L330 PolarHBondContact O-N 3.02Å
331G95.4Very high96Very high36 Ų3642.4 Ų42.437%0.37122%0.222SC..THydrogen-bonded Turntrans75.329175.300000113.8A327 R328 K329 P334A327-G331 PolarHBondContact O-N 3.42Å; R328-G331 PolarHBondContact O-N 3.34Å; K329-G331 PolarHBondContact O-N 2.86Å; G331-P334 WeakPolarHBondContact O-CD 3.32Å
332V97.2Very high95.5Very high0 Ų042.9 Ų42.90%022%0.223CC..  trans-77.2-24.4-175.883.50000113.5V267 L270 I313 A327 I335 V336 M360V267-V332 HydrophobicContact CB-CG2 4.47Å; V267-V332 HydrophobicContact CG1-CB 3.99Å; V267-V332 HydrophobicContact CG1-CG2 3.97Å; V267-V332 HydrophobicContact CG2-CB 4.16Å; V267-V332 HydrophobicContact CG2-CG2 3.95Å; L270-V332 HydrophobicContact CD2-CG2 3.72Å; I313-V332 HydrophobicContact CD1-CG2 3.98Å; A327-V332 HydrophobicContact CB-CG1 3.92Å; A327-V332 WeakPolarHBondContact O-CG1 3.38Å; A327-V332 PolarHBondContact O-N 3.45Å; V332-I335 PolarHBondContact O-N 3.26Å; V332-V336 HydrophobicContact CG1-CG2 4.2Å; V332-V336 HydrophobicContact CG2-CG2 3.97Å; V332-V336 WeakPolarHBondContact O-CG2 3.38Å; V332-V336 PolarHBondContact O-N 3.24Å; V332-M360 HydrophobicContact CG1-CE 4.42Å; V332-M360 HydrophobicContact CG1-SD 4.02Å
333L96Very high94.9Very high4 Ų441.2 Ų41.22%0.02121%0.205CC..Hα-helixtrans-51.8-48.9-173.8-72.5170.4000114.7R328 I335 V336 L337 L357 M360 C367 Y370R328-L333 HydrophobicContact CB-CD1 4.47Å; R328-L333 HydrophobicContact CG-CD1 4.04Å; L333-I335 VanDerWaalsContact C-N 3.26Å; L333-I335 PolarHBondContact O-N 2.89Å; L333-V336 PolarHBondContact O-N 3.31Å; L333-L337 WeakPolarHBondContact O-CB 3.43Å; L333-L337 WeakPolarHBondContact O-CD1 3.23Å; L333-L337 WeakPolarHBondContact O-CG 3.43Å; L333-L337 PolarHBondContact O-N 2.88Å; L333-L357 HydrophobicContact CD2-CD2 3.99Å; L333-M360 HydrophobicContact CD2-CE 3.75Å; L333-M360 HydrophobicContact CD2-SD 3.89Å; L333-C367 HydrophobicContact CD1-CB 4.21Å; L333-Y370 HydrophobicContact CB-CD1 3.87Å; L333-Y370 HydrophobicContact CB-CE1 3.71Å; L333-Y370 HydrophobicContact CD1-CD1 3.52Å; L333-Y370 HydrophobicContact CD1-CE1 4.19Å; L333-Y370 HydrophobicContact CD1-CG 3.95Å; L333-Y370 HydrophobicContact CG-CD1 4.32Å
334P94.2Very high94.1Very high61 Ų6141.4 Ų41.440%0.39621%0.206SC..Hα-helixtrans-55.5-40.9175.9-1417.9000113.2G331 L337 E338 Y370G331-P334 WeakPolarHBondContact O-CD 3.32Å; P334-L337 PolarHBondContact O-N 3.28Å; P334-E338 PolarHBondContact O-N 3.17Å; P334-Y370 WeakPolarHBondContact CG-OH 3.28Å
335I95.5Very high93.4Very high15 Ų1541.7 Ų41.78%0.07721%0.208CC..Hα-helixtrans-72-39.7-176.7-52174.1000110.2L270 R271 D274 V332 L333 E338 S339L270-I335 HydrophobicContact CD1-CG2 3.89Å; L270-I335 HydrophobicContact CD2-CG2 4.05Å; L270-I335 HydrophobicContact CG-CG2 3.74Å; R271-I335 HydrophobicContact CB-CD1 4.3Å; R271-I335 HydrophobicContact CG-CD1 3.58Å; D274-I335 HydrophobicContact CB-CD1 4.39Å; D274-I335 HydrophobicContact CB-CG2 4.09Å; V332-I335 PolarHBondContact O-N 3.26Å; L333-I335 VanDerWaalsContact C-N 3.26Å; L333-I335 PolarHBondContact O-N 2.89Å; I335-E338 PolarHBondContact O-N 2.77Å; I335-S339 WeakPolarHBondContact O-CB 3.48Å; I335-S339 PolarHBondContact O-N 3.04Å; I335-S339 PolarHBondContact O-OG 3.26Å
336V96.9Very high92.7Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-64.9-40.2174.9-176.20000110.9I310 V332 L333 S339 T340 A353 A356 L357 M360I310-V336 HydrophobicContact CD1-CB 4.47Å; I310-V336 HydrophobicContact CD1-CG2 3.99Å; V332-V336 HydrophobicContact CG1-CG2 4.2Å; V332-V336 HydrophobicContact CG2-CG2 3.97Å; V332-V336 WeakPolarHBondContact O-CG2 3.38Å; V332-V336 PolarHBondContact O-N 3.24Å; L333-V336 PolarHBondContact O-N 3.31Å; V336-S339 CarbonylContact O-C 3.58Å; V336-S339 WeakPolarHBondContact O-CA 3.37Å; V336-S339 WeakPolarHBondContact O-CB 3.38Å; V336-S339 PolarHBondContact O-N 3.33Å; V336-S339 VanDerWaalsContact O-N 3.17Å; V336-T340 PolarHBondContact O-N 3.13Å; V336-A353 HydrophobicContact CG1-CB 4.06Å; V336-A356 HydrophobicContact CG1-CB 3.98Å; V336-L357 HydrophobicContact CB-CD2 4.27Å; V336-L357 HydrophobicContact CB-CG 4.48Å; V336-L357 HydrophobicContact CG1-CD1 4.23Å; V336-L357 HydrophobicContact CG1-CD2 3.98Å; V336-L357 HydrophobicContact CG1-CG 3.68Å; V336-M360 HydrophobicContact CB-CE 4.5Å; V336-M360 HydrophobicContact CG1-CE 4.37Å; V336-M360 HydrophobicContact CG2-CE 4.17Å
337L94.4Very high92Very high45 Ų4543 Ų4324%0.23621%0.214CC..Hα-helixtrans-64.1-43.5175.4-77.1160.2000112.5L333 P334 S339 T340 L357 M374L333-L337 WeakPolarHBondContact O-CB 3.43Å; L333-L337 WeakPolarHBondContact O-CD1 3.23Å; L333-L337 WeakPolarHBondContact O-CG 3.43Å; L333-L337 PolarHBondContact O-N 2.88Å; P334-L337 PolarHBondContact O-N 3.28Å; L337-S339 PolarHBondContact O-N 3.42Å; L337-T340 WeakPolarHBondContact O-CB 3.34Å; L337-T340 WeakPolarHBondContact O-CG2 3.34Å; L337-T340 PolarHBondContact O-N 2.85Å; L337-T340 VanDerWaalsContact O-N 3.12Å; L337-T340 PolarHBondContact O-OG1 2.97Å; L337-L357 HydrophobicContact CD2-CD1 3.67Å; L337-L357 HydrophobicContact CD2-CD2 4.08Å; L337-L357 HydrophobicContact CG-CD1 4.15Å; L337-L357 HydrophobicContact CG-CD2 3.94Å; L337-M374 HydrophobicContact CD1-CE 3.09Å; L337-M374 HydrophobicContact CD1-SD 3.61Å
338E92Very high91.5Very high67 Ų6749.5 Ų49.531%0.31324%0.242SC..Hα-helixtrans-63.4-30.7174.4-177.358-154.700111.5R286 P334 I335 T340 R341R286-E338 IonicContact NH1-OE1 3.38Å; R286-E338 PolarHBondContact NH1-OE1 3.41Å; P334-E338 PolarHBondContact O-N 3.17Å; I335-E338 PolarHBondContact O-N 2.77Å; E338-T340 PolarHBondContact O-N 2.88Å; E338-R341 WeakPolarHBondContact O-CB 2.96Å; E338-R341 PolarHBondContact O-N 2.9Å; E338-R341 VanDerWaalsContact OE1-CD 3.22Å; E338-R341 WeakPolarHBondContact OE1-CD 2.97Å; E338-R341 IonicContact OE1-CZ 3.24Å; E338-R341 VanDerWaalsContact OE1-CZ 3.29Å; E338-R341 IonicContact OE1-NE 3.47Å; E338-R341 PolarHBondContact OE1-NE 3.02Å; E338-R341 IonicContact OE1-NH1 2.63Å; E338-R341 PolarHBondContact OE1-NH1 3.06Å; E338-R341 IonicContact OE2-CZ 2.72Å; E338-R341 IonicContact OE2-NE 2.82Å; E338-R341 PolarHBondContact OE2-NE 2.9Å; E338-R341 IonicContact OE2-NH1 3.48Å; E338-R341 PolarHBondContact OE2-NH1 3.21Å; E338-R341 IonicContact OE2-NH2 3.21Å; E338-R341 PolarHBondContact OE2-NH2 3.24Å
339S93.2Very high91.3Very high1 Ų146.4 Ų46.41%0.00723%0.231CC..THydrogen-bonded Turntrans-740.7176.3-54.40000113.9K306 I335 V336 L337 M349K306-S339 WeakPolarHBondContact CE-OG 3.48Å; I335-S339 WeakPolarHBondContact O-CB 3.48Å; I335-S339 PolarHBondContact O-N 3.04Å; I335-S339 PolarHBondContact O-OG 3.26Å; V336-S339 CarbonylContact O-C 3.58Å; V336-S339 WeakPolarHBondContact O-CA 3.37Å; V336-S339 WeakPolarHBondContact O-CB 3.38Å; V336-S339 PolarHBondContact O-N 3.33Å; V336-S339 VanDerWaalsContact O-N 3.17Å; L337-S339 PolarHBondContact O-N 3.42Å; S339-M349 WeakPolarHBondContact O-CG 3.34Å
340T91.1Very high91.1Very high53 Ų5341 Ų4133%0.32521%0.211SC..THydrogen-bonded Turntrans-75.6-17.5168.669.20000112.4V336 L337 E338 T350 A353 L357V336-T340 PolarHBondContact O-N 3.13Å; L337-T340 WeakPolarHBondContact O-CB 3.34Å; L337-T340 WeakPolarHBondContact O-CG2 3.34Å; L337-T340 PolarHBondContact O-N 2.85Å; L337-T340 VanDerWaalsContact O-N 3.12Å; L337-T340 PolarHBondContact O-OG1 2.97Å; E338-T340 PolarHBondContact O-N 2.88Å; T340-T350 WeakPolarHBondContact O-CB 3.27Å; T340-T350 WeakPolarHBondContact O-CG2 3.22Å; T340-T350 PolarHBondContact O-OG1 3.41Å; T340-A353 HydrophobicContact CG2-CB 4.03Å; T340-L357 HydrophobicContact CG2-CD1 3.96Å
341R88.6Confident91Very high128 Ų12844.8 Ų44.848%0.48323%0.228SC..SBendtrans-72.7144177.2-61.9177.3-178.5176.4-2.1110.6E338 M349E338-R341 WeakPolarHBondContact O-CB 2.96Å; E338-R341 PolarHBondContact O-N 2.9Å; E338-R341 VanDerWaalsContact OE1-CD 3.22Å; E338-R341 WeakPolarHBondContact OE1-CD 2.97Å; E338-R341 IonicContact OE1-CZ 3.24Å; E338-R341 VanDerWaalsContact OE1-CZ 3.29Å; E338-R341 IonicContact OE1-NE 3.47Å; E338-R341 PolarHBondContact OE1-NE 3.02Å; E338-R341 IonicContact OE1-NH1 2.63Å; E338-R341 PolarHBondContact OE1-NH1 3.06Å; E338-R341 IonicContact OE2-CZ 2.72Å; E338-R341 IonicContact OE2-NE 2.82Å; E338-R341 PolarHBondContact OE2-NE 2.9Å; E338-R341 IonicContact OE2-NH1 3.48Å; E338-R341 PolarHBondContact OE2-NH1 3.21Å; E338-R341 IonicContact OE2-NH2 3.21Å; E338-R341 PolarHBondContact OE2-NH2 3.24Å; R341-M349 WeakPolarHBondContact O-CE 3.39Å
342F86Confident91.1Very high115 Ų11545.9 Ų45.950%0.50422%0.221SC..  trans-61135.6-179.6179-100.8000112.4R286 R288 C344R286-F342 VanDerWaalsContact CD-O 3.27Å; R286-F342 WeakPolarHBondContact CD-O 3.37Å; R288-F342 WeakPolarHBondContact O-CE1 3.4Å; F342-C344 HydrophobicContact CE1-CB 4.09Å; F342-C344 HydrophobicContact CZ-CB 4.18Å
343D85.4Confident91.1Very high7 Ų745.9 Ų45.94%0.03722%0.221CC..  trans-142.4113.8176.2-173.82.1000110.1R286 K287 C345 N346 M349R286-D343 HydrophobicContact CG-CB 3.82Å; K287-D343 PolarHBondContact N-OD1 3.49Å; K287-D343 VanDerWaalsContact N-OD1 3.09Å; K287-D343 WeakPolarHBondContact O-CA 3.41Å; D343-C345 PolarHBondContact O-N 3.21Å; D343-C345 WeakPolarHBondContact OD1-CB 3.48Å; D343-C345 PolarHBondContact OD1-N 2.91Å; D343-C345 VanDerWaalsContact OD1-N 3.14Å; D343-N346 HydrophobicContact CB-CB 4.2Å; D343-N346 CarbonylContact O-C 3.58Å; D343-N346 VanDerWaalsContact O-C 3.31Å; D343-N346 PolarHBondContact O-N 3.49Å; D343-N346 VanDerWaalsContact O-N 3.1Å; D343-N346 PolarHBondContact OD2-ND2 2.78Å; D343-M349 HydrophobicContact CB-CE 3.41Å; D343-M349 VanDerWaalsContact CB-CE 3.41Å; D343-M349 HydrophobicContact CB-SD 4.45Å
344C83.7Confident91.2Very high7 Ų749.7 Ų49.75%0.04724%0.244CC..THydrogen-bonded Turntrans-68.8-22.1-177.970.50000112.6K287 D289 F290 F342 N346K287-C344 WeakPolarHBondContact CB-SG 3.48Å; K287-C344 PolarHBondContact O-N 3.21Å; K287-C344 PolarHBondContact O-SG 3.19Å; D289-C344 PolarHBondContact O-SG 3.2Å; F290-C344 HydrophobicContact CD1-CB 4Å; F290-C344 HydrophobicContact CD2-CB 4.43Å; F290-C344 HydrophobicContact CE1-CB 3.83Å; F290-C344 HydrophobicContact CE2-CB 4.28Å; F290-C344 HydrophobicContact CG-CB 4.31Å; F290-C344 HydrophobicContact CZ-CB 3.97Å; F342-C344 HydrophobicContact CE1-CB 4.09Å; F342-C344 HydrophobicContact CZ-CB 4.18Å; C344-N346 VanDerWaalsContact C-N 3.25Å; C344-N346 PolarHBondContact O-N 3.46Å
345C83.5Confident91.3Very high5 Ų550 Ų503%0.03424%0.24CC..THydrogen-bonded Turntrans-76.8-11.8174.6-70.40000113S303 G304 D343S303-C345 CarbonylContact C-O 3.55Å; S303-C345 PolarHBondContact OG-O 3.38Å; G304-C345 PolarHBondContact N-O 3.28Å; D343-C345 PolarHBondContact O-N 3.21Å; D343-C345 WeakPolarHBondContact OD1-CB 3.48Å; D343-C345 PolarHBondContact OD1-N 2.91Å; D343-C345 VanDerWaalsContact OD1-N 3.14Å
346N83.5Confident91.4Very high12 Ų1249.3 Ų49.36%0.06424%0.236CC..SBendtrans-137.769.8-174.5-71.3-74.3000109.5G304 K306 Q307 D343 C344 M349G304-N346 VanDerWaalsContact CA-OD1 3.3Å; G304-N346 WeakPolarHBondContact CA-OD1 3.3Å; G304-N346 PolarHBondContact N-OD1 3.48Å; K306-N346 WeakPolarHBondContact CB-OD1 3.28Å; K306-N346 PolarHBondContact N-OD1 3.24Å; Q307-N346 HydrophobicContact CB-CB 4Å; Q307-N346 PolarHBondContact N-OD1 2.86Å; Q307-N346 VanDerWaalsContact N-OD1 3.07Å; D343-N346 HydrophobicContact CB-CB 4.2Å; D343-N346 CarbonylContact O-C 3.58Å; D343-N346 VanDerWaalsContact O-C 3.31Å; D343-N346 PolarHBondContact O-N 3.49Å; D343-N346 VanDerWaalsContact O-N 3.1Å; D343-N346 PolarHBondContact OD2-ND2 2.78Å; C344-N346 VanDerWaalsContact C-N 3.25Å; C344-N346 PolarHBondContact O-N 3.46Å; N346-M349 HydrophobicContact CB-CB 3.98Å; N346-M349 HydrophobicContact CB-CG 4.43Å; N346-M349 HydrophobicContact CB-SD 3.85Å; N346-M349 WeakPolarHBondContact O-CB 3.28Å; N346-M349 PolarHBondContact O-N 3.29Å; N346-M349 VanDerWaalsContact O-N 3.12Å
347L83.7Confident91.5Very high86 Ų8650 Ų5045%0.4524%0.239SC..THydrogen-bonded Turntrans-55.1146-178.3-61.9179.9000111.8F290 Q307 M349F290-L347 HydrophobicContact CE1-CD2 4.39Å; F290-L347 HydrophobicContact CZ-CD2 4.12Å; Q307-L347 WeakPolarHBondContact CG-O 3.43Å; Q307-L347 PolarHBondContact NE2-O 3.02Å; Q307-L347 PolarHBondContact OE1-O 3.06Å; L347-M349 PolarHBondContact O-N 3.23Å
348F88.1Confident91.6Very high135 Ų13554.3 Ų54.359%0.59225%0.253SS*.THydrogen-bonded Turntrans60.38-176-50.3-74.3000116.2T350 Q351 W352F348-T350 VanDerWaalsContact C-N 3.3Å; F348-T350 PolarHBondContact O-N 2.89Å; F348-Q351 VanDerWaalsContact C-OE1 3.26Å; F348-Q351 PolarHBondContact O-N 3.41Å; F348-Q351 VanDerWaalsContact O-N 3.16Å; F348-Q351 PolarHBondContact O-OE1 2.88Å; F348-W352 PolarHBondContact O-N 3.45Å; F348-W352 VanDerWaalsContact O-N 3.08Å
349M92.2Very high91.9Very high6 Ų651.2 Ų51.23%0.0324%0.238CC..Hα-helixtrans-58.5-40.8-178.8-178.5179.570.300112.1K306 S339 R341 D343 N346 L347 Q351 W352 A353K306-M349 HydrophobicContact CD-SD 4.04Å; K306-M349 HydrophobicContact CG-SD 4.05Å; S339-M349 WeakPolarHBondContact O-CG 3.34Å; R341-M349 WeakPolarHBondContact O-CE 3.39Å; D343-M349 HydrophobicContact CB-CE 3.41Å; D343-M349 VanDerWaalsContact CB-CE 3.41Å; D343-M349 HydrophobicContact CB-SD 4.45Å; N346-M349 HydrophobicContact CB-CB 3.98Å; N346-M349 HydrophobicContact CB-CG 4.43Å; N346-M349 HydrophobicContact CB-SD 3.85Å; N346-M349 WeakPolarHBondContact O-CB 3.28Å; N346-M349 PolarHBondContact O-N 3.29Å; N346-M349 VanDerWaalsContact O-N 3.12Å; L347-M349 PolarHBondContact O-N 3.23Å; M349-Q351 VanDerWaalsContact C-N 3.35Å; M349-Q351 PolarHBondContact O-N 3.03Å; M349-W352 PolarHBondContact O-N 2.82Å; M349-A353 VanDerWaalsContact O-CB 3.3Å; M349-A353 WeakPolarHBondContact O-CB 3.47Å; M349-A353 PolarHBondContact O-N 3.43Å
350T94Very high92.1Very high45 Ų4551.2 Ų51.228%0.27624%0.238SC..Hα-helixtrans-57.5-45.6175.6-57.80000112T340 F348 A353 V354T340-T350 WeakPolarHBondContact O-CB 3.27Å; T340-T350 WeakPolarHBondContact O-CG2 3.22Å; T340-T350 PolarHBondContact O-OG1 3.41Å; F348-T350 VanDerWaalsContact C-N 3.3Å; F348-T350 PolarHBondContact O-N 2.89Å; T350-A353 PolarHBondContact O-N 2.87Å; T350-V354 HydrophobicContact CG2-CG2 4.47Å; T350-V354 WeakPolarHBondContact O-CB 3.46Å; T350-V354 VanDerWaalsContact O-CG2 3.3Å; T350-V354 WeakPolarHBondContact O-CG2 3.34Å; T350-V354 PolarHBondContact O-N 3.08Å
351Q95.7Very high92.4Very high113 Ų11351.3 Ų51.353%0.52824%0.235SC..Hα-helixtrans-63.9-44.5-179.9-68.577.6-2.900110.6F348 M349 F355F348-Q351 VanDerWaalsContact C-OE1 3.26Å; F348-Q351 PolarHBondContact O-N 3.41Å; F348-Q351 VanDerWaalsContact O-N 3.16Å; F348-Q351 PolarHBondContact O-OE1 2.88Å; M349-Q351 VanDerWaalsContact C-N 3.35Å; M349-Q351 PolarHBondContact O-N 3.03Å; Q351-F355 WeakPolarHBondContact O-CB 3.43Å; Q351-F355 PolarHBondContact O-N 2.82Å
352W97.4Very high92.7Very high59 Ų5950 Ų5022%0.22323%0.234CC..Hα-helixtrans-66.1-38.3176.1-67.2119000112.3I310 R311 A314 F348 M349 F355 A356I310-W352 HydrophobicContact CB-CB 4.39Å; I310-W352 VanDerWaalsContact CG2-C 3.49Å; I310-W352 HydrophobicContact CG2-CB 3.75Å; R311-W352 HydrophobicContact CB-CB 4.44Å; R311-W352 HydrophobicContact CB-CD2 3.68Å; R311-W352 HydrophobicContact CB-CE3 4.01Å; R311-W352 HydrophobicContact CB-CG 3.86Å; R311-W352 HydrophobicContact CG-CD2 3.75Å; R311-W352 HydrophobicContact CG-CE3 3.76Å; R311-W352 HydrophobicContact CG-CG 4.46Å; R311-W352 HydrophobicContact CG-CH2 3.91Å; R311-W352 HydrophobicContact CG-CZ2 3.89Å; R311-W352 HydrophobicContact CG-CZ3 3.84Å; A314-W352 HydrophobicContact CB-CE3 4.46Å; F348-W352 PolarHBondContact O-N 3.45Å; F348-W352 VanDerWaalsContact O-N 3.08Å; M349-W352 PolarHBondContact O-N 2.82Å; W352-F355 HydrophobicContact CE3-CD1 4.24Å; W352-F355 HydrophobicContact CZ3-CD1 4.16Å; W352-F355 PolarHBondContact O-N 3.29Å; W352-A356 WeakPolarHBondContact O-CB 3.41Å; W352-A356 PolarHBondContact O-N 2.89Å
353A97.8Very high93Very high0 Ų046.9 Ų46.90%022%0.22CC..Hα-helixtrans-64.9-47.2177.200000111.5I310 V336 T340 M349 T350 F355 A356 L357I310-A353 HydrophobicContact CG2-CB 4.08Å; V336-A353 HydrophobicContact CG1-CB 4.06Å; T340-A353 HydrophobicContact CG2-CB 4.03Å; M349-A353 VanDerWaalsContact O-CB 3.3Å; M349-A353 WeakPolarHBondContact O-CB 3.47Å; M349-A353 PolarHBondContact O-N 3.43Å; T350-A353 PolarHBondContact O-N 2.87Å; A353-F355 VanDerWaalsContact C-N 3.28Å; A353-F355 PolarHBondContact O-N 3.17Å; A353-A356 PolarHBondContact O-N 3.44Å; A353-L357 WeakPolarHBondContact O-CB 3.32Å; A353-L357 VanDerWaalsContact O-CG 3.28Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3.42Å
354V97.4Very high93.4Very high84 Ų8446.8 Ų46.851%0.50922%0.22SC..Hα-helixtrans-58.8-42.7174.4170.20000110.7T350 L357 R358T350-V354 HydrophobicContact CG2-CG2 4.47Å; T350-V354 WeakPolarHBondContact O-CB 3.46Å; T350-V354 VanDerWaalsContact O-CG2 3.3Å; T350-V354 WeakPolarHBondContact O-CG2 3.34Å; T350-V354 PolarHBondContact O-N 3.08Å; V354-L357 PolarHBondContact O-N 2.97Å; V354-R358 WeakPolarHBondContact O-CB 3.4Å; V354-R358 PolarHBondContact O-N 3.34Å
355F97.3Very high93.9Very high68 Ų6849.9 Ų49.930%0.29824%0.238SC..Hα-helixtrans-65.9-44.9178.4-170.5-133.8000112.3A314 C318 Q351 W352 A353 L357 R358 N359A314-F355 HydrophobicContact CB-CD1 3.75Å; A314-F355 HydrophobicContact CB-CE1 4.44Å; A314-F355 HydrophobicContact CB-CG 4.46Å; C318-F355 HydrophobicContact CB-CZ 4.43Å; Q351-F355 WeakPolarHBondContact O-CB 3.43Å; Q351-F355 PolarHBondContact O-N 2.82Å; W352-F355 HydrophobicContact CE3-CD1 4.24Å; W352-F355 HydrophobicContact CZ3-CD1 4.16Å; W352-F355 PolarHBondContact O-N 3.29Å; A353-F355 VanDerWaalsContact C-N 3.28Å; A353-F355 PolarHBondContact O-N 3.17Å; F355-L357 PolarHBondContact O-N 2.91Å; F355-R358 WeakPolarHBondContact O-CB 3.1Å; F355-R358 PolarHBondContact O-N 2.99Å; F355-N359 WeakPolarHBondContact CE2-OD1 3.31Å; F355-N359 PolarHBondContact O-N 2.86Å; F355-N359 PolarHBondContact O-ND2 3.21Å; F355-N359 VanDerWaalsContact O-ND2 3.16Å; F355-N359 PolarHBondContact O-OD1 3.13Å
356A98.2Very high94.4Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-58.8-46.1174.800000112A314 V336 W352 A353 N359 M360A314-A356 HydrophobicContact CB-CB 3.79Å; V336-A356 HydrophobicContact CG1-CB 3.98Å; W352-A356 WeakPolarHBondContact O-CB 3.41Å; W352-A356 PolarHBondContact O-N 2.89Å; A353-A356 PolarHBondContact O-N 3.44Å; A356-N359 PolarHBondContact O-N 3.08Å; A356-M360 HydrophobicContact CB-CE 4.15Å; A356-M360 WeakPolarHBondContact O-CE 3.38Å; A356-M360 WeakPolarHBondContact O-CG 3.36Å; A356-M360 PolarHBondContact O-N 3.33Å
357L97.9Very high94.9Very high13 Ų1349.5 Ų49.57%0.06824%0.238CC..Hα-helixtrans-61.4-45.6177.1-71166.9000111.5L333 V336 L337 T340 A353 V354 F355 N359 M360 M361L333-L357 HydrophobicContact CD2-CD2 3.99Å; V336-L357 HydrophobicContact CB-CD2 4.27Å; V336-L357 HydrophobicContact CB-CG 4.48Å; V336-L357 HydrophobicContact CG1-CD1 4.23Å; V336-L357 HydrophobicContact CG1-CD2 3.98Å; V336-L357 HydrophobicContact CG1-CG 3.68Å; L337-L357 HydrophobicContact CD2-CD1 3.67Å; L337-L357 HydrophobicContact CD2-CD2 4.08Å; L337-L357 HydrophobicContact CG-CD1 4.15Å; L337-L357 HydrophobicContact CG-CD2 3.94Å; T340-L357 HydrophobicContact CG2-CD1 3.96Å; A353-L357 WeakPolarHBondContact O-CB 3.32Å; A353-L357 VanDerWaalsContact O-CG 3.28Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3.42Å; V354-L357 PolarHBondContact O-N 2.97Å; F355-L357 PolarHBondContact O-N 2.91Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-N359 PolarHBondContact O-N 3.15Å; L357-M360 HydrophobicContact CD2-CE 4.33Å; L357-M360 PolarHBondContact O-N 2.91Å; L357-M361 HydrophobicContact CB-CE 4.13Å; L357-M361 VanDerWaalsContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.4Å; L357-M361 WeakPolarHBondContact O-CE 3.04Å; L357-M361 VanDerWaalsContact O-CG 3.26Å; L357-M361 WeakPolarHBondContact O-CG 3.47Å; L357-M361 PolarHBondContact O-N 3.05Å
358R97.6Very high95.4Very high137 Ų13750.6 Ų50.652%0.51724%0.236SC..Hα-helixtrans-55.5-49.3174.9179-166.2177.6-100.94.5111V354 F355 M361 K362V354-R358 WeakPolarHBondContact O-CB 3.4Å; V354-R358 PolarHBondContact O-N 3.34Å; F355-R358 WeakPolarHBondContact O-CB 3.1Å; F355-R358 PolarHBondContact O-N 2.99Å; R358-M361 PolarHBondContact O-N 2.77Å; R358-K362 WeakPolarHBondContact O-CB 3.2Å; R358-K362 PolarHBondContact O-N 3.22Å
359N97.2Very high95.7Very high2 Ų250.3 Ų50.31%0.01124%0.237CC..Hα-helixtrans-62.8-48.5-176.5-62.7-20.7000111.2A314 C318 F355 A356 L357 K362 E363A314-N359 PolarHBondContact O-ND2 3.21Å; C318-N359 HydrophobicContact CB-CB 4.11Å; C318-N359 VanDerWaalsContact CB-CG 3.45Å; C318-N359 WeakPolarHBondContact CB-ND2 3.48Å; F355-N359 WeakPolarHBondContact CE2-OD1 3.31Å; F355-N359 PolarHBondContact O-N 2.86Å; F355-N359 PolarHBondContact O-ND2 3.21Å; F355-N359 VanDerWaalsContact O-ND2 3.16Å; F355-N359 PolarHBondContact O-OD1 3.13Å; A356-N359 PolarHBondContact O-N 3.08Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-N359 PolarHBondContact O-N 3.15Å; N359-K362 PolarHBondContact O-N 2.6Å; N359-E363 WeakPolarHBondContact O-CG 3.33Å; N359-E363 PolarHBondContact O-N 3.49Å
360M97.9Very high95.7Very high0 Ų054.6 Ų54.60%025%0.253CS..Hα-helixtrans-62.7-46.1177.6-70.4-174.7-77.500112.3T317 A327 V332 L333 V336 A356 L357 D364 C367T317-M360 HydrophobicContact CG2-CG 3.87Å; T317-M360 HydrophobicContact CG2-SD 4.48Å; A327-M360 HydrophobicContact CB-CG 4.49Å; A327-M360 HydrophobicContact CB-SD 3.71Å; V332-M360 HydrophobicContact CG1-CE 4.42Å; V332-M360 HydrophobicContact CG1-SD 4.02Å; L333-M360 HydrophobicContact CD2-CE 3.75Å; L333-M360 HydrophobicContact CD2-SD 3.89Å; V336-M360 HydrophobicContact CB-CE 4.5Å; V336-M360 HydrophobicContact CG1-CE 4.37Å; V336-M360 HydrophobicContact CG2-CE 4.17Å; A356-M360 HydrophobicContact CB-CE 4.15Å; A356-M360 WeakPolarHBondContact O-CE 3.38Å; A356-M360 WeakPolarHBondContact O-CG 3.36Å; A356-M360 PolarHBondContact O-N 3.33Å; L357-M360 HydrophobicContact CD2-CE 4.33Å; L357-M360 PolarHBondContact O-N 2.91Å; M360-D364 WeakPolarHBondContact O-CB 3.48Å; M360-D364 PolarHBondContact O-N 3.32Å; M360-C367 HydrophobicContact CB-CB 4.38Å
361M96.3Very high95.4Very high55 Ų5554.4 Ų54.427%0.27125%0.252SS..Hα-helixtrans-69.8-31.8180-70.4-172-60.700113.3L357 R358 C367 R368 V371L357-M361 HydrophobicContact CB-CE 4.13Å; L357-M361 VanDerWaalsContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.4Å; L357-M361 WeakPolarHBondContact O-CE 3.04Å; L357-M361 VanDerWaalsContact O-CG 3.26Å; L357-M361 WeakPolarHBondContact O-CG 3.47Å; L357-M361 PolarHBondContact O-N 3.05Å; R358-M361 PolarHBondContact O-N 2.77Å; M361-C367 HydrophobicContact CG-CB 4.16Å; M361-R368 HydrophobicContact CB-CG 3.77Å; M361-R368 HydrophobicContact CG-CG 4.21Å; M361-R368 VanDerWaalsContact O-CD 3.32Å; M361-R368 WeakPolarHBondContact O-CD 3.41Å; M361-R368 VanDerWaalsContact O-CG 3.31Å; M361-R368 WeakPolarHBondContact O-CG 3.5Å; M361-R368 PolarHBondContact O-NE 2.91Å; M361-V371 HydrophobicContact SD-CB 4.12Å; M361-V371 HydrophobicContact SD-CG1 4.2Å; M361-V371 HydrophobicContact SD-CG2 3.87Å
362K95.9Very high95.2Very high102 Ų10253.9 Ų53.944%0.44326%0.261SS..Hα-helixtrans-62.8-51.6175.2179.5-175.2173.2-109.90110.3D319 R358 N359D319-K362 IonicContact OD1-NZ 2.91Å; D319-K362 PolarHBondContact OD1-NZ 3.36Å; R358-K362 WeakPolarHBondContact O-CB 3.2Å; R358-K362 PolarHBondContact O-N 3.22Å; N359-K362 PolarHBondContact O-N 2.6Å
363E92.7Very high94.9Very high49 Ų4955 Ų5523%0.22928%0.277CS..Hα-helixtrans-86-25.1-170.9-59.9-57.8137.400113.8H321 C324 N359H321-E363 PolarHBondContact CE1-O 3.29Å; H321-E363 PolarHBondContact ND1-O 3.13Å; C324-E363 HydrophobicContact CB-CB 4.01Å; N359-E363 WeakPolarHBondContact O-CG 3.33Å; N359-E363 PolarHBondContact O-N 3.49Å
364D94.3Very high94.3Very high4 Ų458.7 Ų58.72%0.02130%0.296CS..  trans-126.6111.4-172.917935.4000112.6C324 V325 R328 M360 G366 C367C324-D364 HydrophobicContact CB-CB 3.91Å; V325-D364 HydrophobicContact CG2-CB 4.42Å; R328-D364 VanDerWaalsContact CD-OD2 3.27Å; R328-D364 WeakPolarHBondContact CD-OD2 3.33Å; R328-D364 VanDerWaalsContact CZ-CG 3.44Å; R328-D364 IonicContact CZ-OD1 3.86Å; R328-D364 IonicContact CZ-OD2 3.19Å; R328-D364 IonicContact NE-OD2 2.91Å; R328-D364 PolarHBondContact NE-OD2 3.22Å; R328-D364 IonicContact NH1-OD1 2.71Å; R328-D364 PolarHBondContact NH1-OD1 3.34Å; R328-D364 IonicContact NH1-OD2 2.65Å; R328-D364 PolarHBondContact NH1-OD2 3.4Å; R328-D364 IonicContact NH2-OD1 3.75Å; R328-D364 PolarHBondContact NH2-OD1 2.86Å; R328-D364 IonicContact NH2-OD2 3.24Å; R328-D364 PolarHBondContact NH2-OD2 2.97Å; M360-D364 WeakPolarHBondContact O-CB 3.48Å; M360-D364 PolarHBondContact O-N 3.32Å; D364-G366 VanDerWaalsContact C-N 3.32Å; D364-G366 PolarHBondContact O-N 2.92Å; D364-C367 HydrophobicContact CB-CB 4.39Å; D364-C367 WeakPolarHBondContact O-CB 3.49Å; D364-C367 PolarHBondContact O-N 2.98Å; D364-C367 VanDerWaalsContact O-N 3.07Å; D364-C367 PolarHBondContact OD2-N 2.75Å; D364-C367 PolarHBondContact OD2-SG 2.56Å
365T93.3Very high93.5Very high72 Ų7263.6 Ų63.644%0.44231%0.31SS..Hα-helixtrans-58.7-39.8-177.252.70000112.7C367 R368 E369T365-C367 PolarHBondContact O-N 3.46Å; T365-R368 WeakPolarHBondContact O-CA 3.31Å; T365-R368 VanDerWaalsContact O-CB 3.27Å; T365-R368 WeakPolarHBondContact O-CB 3.45Å; T365-R368 PolarHBondContact O-N 3.1Å; T365-E369 PolarHBondContact O-N 3.42Å
366G94.8Very high92.2Very high9 Ų965 Ų659%0.09333%0.326CS..Hα-helixtrans-73.7-15.9-179.600000113.2R328 D364 Y370R328-G366 VanDerWaalsContact NH1-N 3.17Å; D364-G366 VanDerWaalsContact C-N 3.32Å; D364-G366 PolarHBondContact O-N 2.92Å; G366-Y370 VanDerWaalsContact O-CB 3.26Å; G366-Y370 WeakPolarHBondContact O-CB 3.26Å; G366-Y370 PolarHBondContact O-N 3.33Å
367C93.3Very high90.8Very high0 Ų071.5 Ų71.50%037%0.372CS..Hα-helixtrans-65.6-41.9163.7-74.40000110.8L333 M360 M361 D364 T365 Y370 V371L333-C367 HydrophobicContact CD1-CB 4.21Å; M360-C367 HydrophobicContact CB-CB 4.38Å; M361-C367 HydrophobicContact CG-CB 4.16Å; D364-C367 HydrophobicContact CB-CB 4.39Å; D364-C367 WeakPolarHBondContact O-CB 3.49Å; D364-C367 PolarHBondContact O-N 2.98Å; D364-C367 VanDerWaalsContact O-N 3.07Å; D364-C367 PolarHBondContact OD2-N 2.75Å; D364-C367 PolarHBondContact OD2-SG 2.56Å; T365-C367 PolarHBondContact O-N 3.46Å; C367-Y370 PolarHBondContact O-N 3.31Å; C367-V371 WeakPolarHBondContact O-CG2 3.32Å; C367-V371 PolarHBondContact O-N 2.93Å; C367-V371 VanDerWaalsContact O-N 3.08Å
368R93.4Very high89.3Confident109 Ų10973.8 Ų73.841%0.41139%0.393SS..Hα-helixtrans-63.6-44.4174.5-73.7178.5-94.5126.3-12.3111.8M361 T365 V371 S372M361-R368 HydrophobicContact CB-CG 3.77Å; M361-R368 HydrophobicContact CG-CG 4.21Å; M361-R368 VanDerWaalsContact O-CD 3.32Å; M361-R368 WeakPolarHBondContact O-CD 3.41Å; M361-R368 VanDerWaalsContact O-CG 3.31Å; M361-R368 WeakPolarHBondContact O-CG 3.5Å; M361-R368 PolarHBondContact O-NE 2.91Å; T365-R368 WeakPolarHBondContact O-CA 3.31Å; T365-R368 VanDerWaalsContact O-CB 3.27Å; T365-R368 WeakPolarHBondContact O-CB 3.45Å; T365-R368 PolarHBondContact O-N 3.1Å; R368-V371 PolarHBondContact O-N 3.28Å; R368-S372 VanDerWaalsContact O-CB 3.26Å; R368-S372 WeakPolarHBondContact O-CB 3.42Å; R368-S372 PolarHBondContact O-N 3.08Å; R368-S372 PolarHBondContact O-OG 3.16Å
369E94.5Very high87.6Confident129 Ų12973.3 Ų73.360%0.60341%0.407SS*.Hα-helixtrans-61.8-45177.6-67.2162.7-168.100111.1T365 V371 S372 S373T365-E369 PolarHBondContact O-N 3.42Å; E369-V371 PolarHBondContact O-N 3.01Å; E369-S372 PolarHBondContact O-N 3.31Å; E369-S373 WeakPolarHBondContact O-CB 3.43Å; E369-S373 PolarHBondContact O-N 2.9Å; E369-S373 PolarHBondContact O-OG 3.2Å
370Y92.2Very high85.9Confident96 Ų9679.6 Ų79.638%0.37644%0.438SS..Hα-helixtrans-55.8-51.9176-178.3-101000111.6L333 P334 G366 C367 S372 S373 M374L333-Y370 HydrophobicContact CB-CD1 3.87Å; L333-Y370 HydrophobicContact CB-CE1 3.71Å; L333-Y370 HydrophobicContact CD1-CD1 3.52Å; L333-Y370 HydrophobicContact CD1-CE1 4.19Å; L333-Y370 HydrophobicContact CD1-CG 3.95Å; L333-Y370 HydrophobicContact CG-CD1 4.32Å; P334-Y370 WeakPolarHBondContact CG-OH 3.28Å; G366-Y370 VanDerWaalsContact O-CB 3.26Å; G366-Y370 WeakPolarHBondContact O-CB 3.26Å; G366-Y370 PolarHBondContact O-N 3.33Å; C367-Y370 PolarHBondContact O-N 3.31Å; Y370-S372 PolarHBondContact O-N 3.42Å; Y370-S373 PolarHBondContact O-N 3.34Å; Y370-S373 PolarHBondContact O-OG 3.02Å; Y370-M374 HydrophobicContact CD1-CE 3.27Å; Y370-M374 HydrophobicContact CE1-CE 2.99Å; Y370-M374 HydrophobicContact CG-CE 4.29Å
371V89.5Confident84.2Confident42 Ų4288.8 Ų88.826%0.25548%0.478SS..Hα-helixtrans-64.6-41.1178.7175.30000111.9M361 C367 R368 E369 S373 M374M361-V371 HydrophobicContact SD-CB 4.12Å; M361-V371 HydrophobicContact SD-CG1 4.2Å; M361-V371 HydrophobicContact SD-CG2 3.87Å; C367-V371 WeakPolarHBondContact O-CG2 3.32Å; C367-V371 PolarHBondContact O-N 2.93Å; C367-V371 VanDerWaalsContact O-N 3.08Å; R368-V371 PolarHBondContact O-N 3.28Å; E369-V371 PolarHBondContact O-N 3.01Å; V371-S373 PolarHBondContact O-N 3.31Å; V371-M374 HydrophobicContact CG2-CE 4.16Å; V371-M374 WeakPolarHBondContact O-CB 3.48Å; V371-M374 WeakPolarHBondContact O-CG 2.92Å; V371-M374 PolarHBondContact O-N 2.94Å
372S90Very high82.5Confident101 Ų10192.9 Ų92.971%0.70650%0.5SS*.Hα-helixtrans-67.1-26.1179.3-55.60000112.9R368 E369 Y370 M374R368-S372 VanDerWaalsContact O-CB 3.26Å; R368-S372 WeakPolarHBondContact O-CB 3.42Å; R368-S372 PolarHBondContact O-N 3.08Å; R368-S372 PolarHBondContact O-OG 3.16Å; E369-S372 PolarHBondContact O-N 3.31Å; Y370-S372 PolarHBondContact O-N 3.42Å; S372-M374 VanDerWaalsContact C-N 3.29Å
373S90.8Very high80.3Confident82 Ų8298.5 Ų98.557%0.57354%0.535SS*.THydrogen-bonded Turntrans-78.8-11.7177.2760000113.8E369 Y370 V371 K375E369-S373 WeakPolarHBondContact O-CB 3.43Å; E369-S373 PolarHBondContact O-N 2.9Å; E369-S373 PolarHBondContact O-OG 3.2Å; Y370-S373 PolarHBondContact O-N 3.34Å; Y370-S373 PolarHBondContact O-OG 3.02Å; V371-S373 PolarHBondContact O-N 3.31Å; S373-K375 PolarHBondContact O-N 3.26Å
374M86.7Confident79.7Confident78 Ų78101 Ų10138%0.38455%0.551SS.*  trans-68.3132.4-179.2-63.1-173-168.200111.1L337 Y370 V371 S372L337-M374 HydrophobicContact CD1-CE 3.09Å; L337-M374 HydrophobicContact CD1-SD 3.61Å; Y370-M374 HydrophobicContact CD1-CE 3.27Å; Y370-M374 HydrophobicContact CE1-CE 2.99Å; Y370-M374 HydrophobicContact CG-CE 4.29Å; V371-M374 HydrophobicContact CG2-CE 4.16Å; V371-M374 WeakPolarHBondContact O-CB 3.48Å; V371-M374 WeakPolarHBondContact O-CG 2.92Å; V371-M374 PolarHBondContact O-N 2.94Å; S372-M374 VanDerWaalsContact C-N 3.29Å
375K80.1Confident78.9Confident188 Ų188106.1 Ų106.182%0.81758%0.578SS**  trans-106.3139.7171.2-64.3-177.5-178.5179.40108.9S373 S377S373-K375 PolarHBondContact O-N 3.26Å; K375-S377 PolarHBondContact O-N 3.49Å
376P70.2Confident78.1Confident97 Ų97108 Ų10863%0.6359%0.586SS**  trans-52.9130.3167.6-24.534.3000109.8A378P376-A378 VanDerWaalsContact CB-O 3.28Å; P376-A378 WeakPolarHBondContact CB-O 3.46Å; P376-A378 PolarHBondContact O-N 3.35Å
377S68.3Low77.2Confident137 Ų137113.8 Ų113.896%0.95862%0.615SS**SBendtrans-67.5-17179.350.20000113.2K375K375-S377 PolarHBondContact O-N 3.49Å
378A67.5Low76.2Confident61 Ų61120.9 Ų120.950%0.50465%0.653SS.*SBendtrans-131.7147.117100000109.2P376 M380P376-A378 VanDerWaalsContact CB-O 3.28Å; P376-A378 WeakPolarHBondContact CB-O 3.46Å; P376-A378 PolarHBondContact O-N 3.35Å; A378-M380 PolarHBondContact O-N 3.22Å
379P61.8Low75Confident126 Ų126121.7 Ų121.782%0.81867%0.67SS**  trans-56.5117.9172.822.4-30.7000109K381P379-K381 PolarHBondContact O-N 3.42Å; P379-K381 VanDerWaalsContact O-N 3.13Å
380M61.2Low73.6Confident135 Ų135121.2 Ų121.267%0.66567%0.674SS**  trans-67.2111.9175.6-167.1166.5109.300107.3A378 L382A378-M380 PolarHBondContact O-N 3.22Å; M380-L382 VanDerWaalsContact C-N 3.29Å; M380-L382 HydrophobicContact CE-CD1 4.01Å; M380-L382 HydrophobicContact CE-CD2 3.31Å; M380-L382 HydrophobicContact CE-CG 3.49Å; M380-L382 VanDerWaalsContact CE-CG 3.49Å; M380-L382 PolarHBondContact O-N 2.71Å
381K61.1Low72.2Confident193 Ų193123.2 Ų123.284%0.83970%0.697SS**  trans-70.395.8163.8-70.1-172.6178.4-1750106.5P379 D383P379-K381 PolarHBondContact O-N 3.42Å; P379-K381 VanDerWaalsContact O-N 3.13Å; K381-D383 PolarHBondContact O-N 2.9Å
382L60.2Low70.7Confident140 Ų140129.9 Ų129.973%0.73373%0.734SS**  trans-73.6103.4159-78.8156.8000105.1M380M380-L382 VanDerWaalsContact C-N 3.29Å; M380-L382 HydrophobicContact CE-CD1 4.01Å; M380-L382 HydrophobicContact CE-CD2 3.31Å; M380-L382 HydrophobicContact CE-CG 3.49Å; M380-L382 VanDerWaalsContact CE-CG 3.49Å; M380-L382 PolarHBondContact O-N 2.71Å
383D51Low69Low221 Ų221132.5 Ų132.5100%1.18274%0.737SS**  trans-710161.3-75.8-13.8000109.8K381K381-D383 PolarHBondContact O-N 2.9Å

Retrieved 383 of 383 residues in 125.1 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).