A0A096N0F4_PAPAN Loading...

Solute carrier family 25 member 34

Putative antiporter that exchanges dicarboxylates and sulfur oxoanions across the inner membrane of mitochondria.

AlphaFold DB , UniProt , Accession A0A096N0F4, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A34, Length 304 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low67.9Low225 Ų22589.7 Ų89.7100%1.10852%0.521SS*.  0106.20-86.7173.2148.600106.8T3M1-T3 PolarHBondContact O-N 2.88Å
2E42.6Very low69.4Low120 Ų12084.1 Ų84.156%0.56149%0.488SS*.  trans-60.6130.5-176.6-67.9177.3142.800110.7V4 H301E2-V4 VanDerWaalsContact C-N 3.35Å; E2-V4 PolarHBondContact O-N 3.11Å; E2-H301 IonicContact OE1-CD2 3.61Å; E2-H301 IonicContact OE1-CE1 2.66Å; E2-H301 IonicContact OE1-NE2 2.75Å; E2-H301 PolarHBondContact OE1-NE2 3.47Å
3T53.6Low70.5Confident138 Ų13879 Ų7985%0.84746%0.464SS*.  trans-82.281.4-175.751.40000109.8M1M1-T3 PolarHBondContact O-N 2.88Å
4V64.5Low71.5Confident16 Ų1674.9 Ų74.910%0.09744%0.444CS..  trans-57.3135.9163.6-179.80000108.1E2 V8 D9E2-V4 VanDerWaalsContact C-N 3.35Å; E2-V4 PolarHBondContact O-N 3.11Å; V4-V8 HydrophobicContact CG1-CB 3.59Å; V4-V8 HydrophobicContact CG1-CG1 3.47Å; V4-V8 VanDerWaalsContact CG1-CG1 3.47Å; V4-D9 HydrophobicContact CG1-CB 4.24Å
5S75.9Confident72.6Confident63 Ų6373.2 Ų73.244%0.44144%0.437SS..  trans-53.5137.8177.1171.70000110.2A7 V8 D9S5-A7 PolarHBondContact O-N 3.24Å; S5-V8 PolarHBondContact O-N 3.17Å; S5-D9 PolarHBondContact O-N 3.29Å
6P72.5Confident73.6Confident108 Ų10868.6 Ų68.670%0.70141%0.41SS*.Hα-helixtrans-51.9-32.4-179.6-28.234.3000113.8L10P6-L10 WeakPolarHBondContact O-CB 3.22Å; P6-L10 PolarHBondContact O-N 3.11Å
7A75.3Confident74.3Confident63 Ų6366.1 Ų66.152%0.52140%0.396SS..Hα-helixtrans-70.2-40.7176.900000112.7S5 L10 V11S5-A7 PolarHBondContact O-N 3.24Å; A7-L10 PolarHBondContact O-N 3.39Å; A7-V11 WeakPolarHBondContact O-CG2 3.49Å; A7-V11 PolarHBondContact O-N 3.31Å; A7-V11 VanDerWaalsContact O-N 3.15Å
8V80.6Confident75.1Confident66 Ų6664.1 Ų64.140%0.439%0.385SS..Hα-helixtrans-69-46.4178.6174.70000109.7V4 S5 L10 V11 L12V4-V8 HydrophobicContact CG1-CB 3.59Å; V4-V8 HydrophobicContact CG1-CG1 3.47Å; V4-V8 VanDerWaalsContact CG1-CG1 3.47Å; S5-V8 PolarHBondContact O-N 3.17Å; V8-L10 PolarHBondContact O-N 3.33Å; V8-L10 VanDerWaalsContact O-N 3.14Å; V8-V11 PolarHBondContact O-N 2.99Å; V8-V11 VanDerWaalsContact O-N 3.12Å; V8-L12 HydrophobicContact CG1-CD1 4.05Å; V8-L12 HydrophobicContact CG1-CG 4.33Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 3.32Å
9D79.1Confident76Confident33 Ų3364.6 Ų64.618%0.17639%0.386CS..Hα-helixtrans-56-35.1178.6-168.225.7000113V4 S5 L12 G13 W289 R293V4-D9 HydrophobicContact CG1-CB 4.24Å; S5-D9 PolarHBondContact O-N 3.29Å; D9-L12 PolarHBondContact O-N 3.25Å; D9-G13 PolarHBondContact O-N 3.11Å; D9-W289 VanDerWaalsContact OD1-CE2 3.31Å; D9-W289 WeakPolarHBondContact OD1-CZ2 3.32Å; D9-W289 PolarHBondContact OD1-NE1 3.33Å; D9-R293 IonicContact OD1-CZ 3.39Å; D9-R293 IonicContact OD1-NE 3.58Å; D9-R293 PolarHBondContact OD1-NE 2.87Å; D9-R293 IonicContact OD1-NH2 3.37Å; D9-R293 PolarHBondContact OD1-NH2 3.4Å; D9-R293 IonicContact OD2-CZ 3.47Å; D9-R293 IonicContact OD2-NE 2.73Å; D9-R293 IonicContact OD2-NH2 2.7Å; D9-R293 PolarHBondContact OD2-NH2 3.31Å
10L75.7Confident76.6Confident67 Ų6761.4 Ų61.435%0.35137%0.366SS..Hα-helixtrans-74.9-39.7179.8-174.5150.2000112.9P6 A7 V8 L12 G13 A14 F88P6-L10 WeakPolarHBondContact O-CB 3.22Å; P6-L10 PolarHBondContact O-N 3.11Å; A7-L10 PolarHBondContact O-N 3.39Å; V8-L10 PolarHBondContact O-N 3.33Å; V8-L10 VanDerWaalsContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-G13 PolarHBondContact O-N 3.46Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.05Å; L10-F88 HydrophobicContact CD1-CB 3.78Å; L10-F88 HydrophobicContact CD1-CD1 3.79Å; L10-F88 HydrophobicContact CD1-CD2 3.76Å; L10-F88 HydrophobicContact CD1-CE1 4.28Å; L10-F88 HydrophobicContact CD1-CE2 4.22Å; L10-F88 HydrophobicContact CD1-CG 3.51Å; L10-F88 HydrophobicContact CD1-CZ 4.47Å; L10-F88 HydrophobicContact CD2-CB 4.26Å; L10-F88 HydrophobicContact CD2-CD2 3.25Å; L10-F88 HydrophobicContact CD2-CE2 3.64Å; L10-F88 HydrophobicContact CD2-CG 3.89Å; L10-F88 HydrophobicContact CG-CB 4.39Å; L10-F88 HydrophobicContact CG-CD1 4.18Å; L10-F88 HydrophobicContact CG-CD2 3.44Å; L10-F88 VanDerWaalsContact CG-CD2 3.44Å; L10-F88 HydrophobicContact CG-CE1 4.3Å; L10-F88 HydrophobicContact CG-CE2 3.55Å; L10-F88 HydrophobicContact CG-CG 3.77Å; L10-F88 HydrophobicContact CG-CZ 4Å
11V83.3Confident77.2Confident88 Ų8858.7 Ų58.753%0.53335%0.35SS..Hα-helixtrans-63.1-41.4170.41720000110.4A7 V8 A14 S15A7-V11 WeakPolarHBondContact O-CG2 3.49Å; A7-V11 PolarHBondContact O-N 3.31Å; A7-V11 VanDerWaalsContact O-N 3.15Å; V8-V11 PolarHBondContact O-N 2.99Å; V8-V11 VanDerWaalsContact O-N 3.12Å; V11-A14 PolarHBondContact O-N 2.83Å; V11-S15 VanDerWaalsContact O-CB 3.31Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.23Å; V11-S15 PolarHBondContact O-OG 3.01Å
12L86.3Confident79.4Confident22 Ų2250.6 Ų50.612%0.11531%0.314CS..Hα-helixtrans-62.9-42.7174.8-60.9171.6000111V8 D9 L10 S15 A16 L292 R293 A296V8-L12 HydrophobicContact CG1-CD1 4.05Å; V8-L12 HydrophobicContact CG1-CG 4.33Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 3.32Å; D9-L12 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L12-S15 PolarHBondContact O-N 3.22Å; L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-L292 HydrophobicContact CB-CB 4.12Å; L12-L292 HydrophobicContact CD2-CB 3.78Å; L12-L292 HydrophobicContact CD2-CD2 4.46Å; L12-L292 HydrophobicContact CG-CB 4.35Å; L12-L292 WeakPolarHBondContact O-CD1 3.21Å; L12-R293 HydrophobicContact CD1-CG 3.97Å; L12-A296 HydrophobicContact CD1-CB 3.83Å
13G83.5Confident81.6Confident18 Ų1850.9 Ų50.919%0.18631%0.313CS..Hα-helixtrans-62.7-43.5175.800000113.4D9 L10 A16 C17D9-G13 PolarHBondContact O-N 3.11Å; L10-G13 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.27Å; G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 PolarHBondContact O-SG 3.03Å
14A84.2Confident83.3Confident21 Ų2144.4 Ų44.417%0.17427%0.273CS..Hα-helixtrans-63.1-42.9174.700000111.5L10 V11 C17 C18L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.05Å; V11-A14 PolarHBondContact O-N 2.83Å; A14-C17 PolarHBondContact O-N 2.91Å; A14-C18 PolarHBondContact O-N 2.96Å; A14-C18 PolarHBondContact O-SG 3.46Å; A14-C18 VanDerWaalsContact O-SG 3.4Å
15S87.8Confident84.5Confident50 Ų5043.6 Ų43.635%0.3527%0.268SS..Hα-helixtrans-65.2-41.8178.5-56.90000111.8V11 L12 C17 C18 L19V11-S15 VanDerWaalsContact O-CB 3.31Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.23Å; V11-S15 PolarHBondContact O-OG 3.01Å; L12-S15 PolarHBondContact O-N 3.22Å; S15-C17 VanDerWaalsContact C-N 3.35Å; S15-C17 PolarHBondContact O-N 3.2Å; S15-C18 WeakPolarHBondContact O-CB 3.45Å; S15-C18 PolarHBondContact O-N 3.5Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.43Å
16A88.6Confident85.2Confident0 Ų042 Ų420%026%0.256CS..Hα-helixtrans-59.7-43.4174.100000112L12 G13 C18 L19 A20 S285 F288 W289 L292L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 3.44Å; G13-A16 PolarHBondContact O-N 3.27Å; A16-C18 PolarHBondContact O-N 2.95Å; A16-L19 PolarHBondContact O-N 3.49Å; A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.37Å; A16-S285 WeakPolarHBondContact CB-O 3.37Å; A16-F288 HydrophobicContact CB-CB 3.73Å; A16-W289 HydrophobicContact CB-CB 3.84Å; A16-L292 HydrophobicContact CB-CD1 4.14Å
17C86.4Confident85.9Confident25 Ų2538.5 Ų38.517%0.16923%0.232CC..Hα-helixtrans-64.9-38.9175.7-65.80000112.3G13 A14 S15 A20 C21 Q80G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 PolarHBondContact O-SG 3.03Å; A14-C17 PolarHBondContact O-N 2.91Å; S15-C17 VanDerWaalsContact C-N 3.35Å; S15-C17 PolarHBondContact O-N 3.2Å; C17-A20 PolarHBondContact O-N 3.5Å; C17-C21 WeakPolarHBondContact O-CB 3.33Å; C17-C21 PolarHBondContact O-N 2.86Å; C17-Q80 HydrophobicContact CB-CG 3.95Å; C17-Q80 VanDerWaalsContact CB-NE2 3.31Å
18C89.3Confident86.5Confident31 Ų3136.4 Ų36.421%0.20921%0.211CC..Hα-helixtrans-62.8-44.2174.9-75.40000111.4A14 S15 A16 C21 V22 L77A14-C18 PolarHBondContact O-N 2.96Å; A14-C18 PolarHBondContact O-SG 3.46Å; A14-C18 VanDerWaalsContact O-SG 3.4Å; S15-C18 WeakPolarHBondContact O-CB 3.45Å; S15-C18 PolarHBondContact O-N 3.5Å; A16-C18 PolarHBondContact O-N 2.95Å; C18-C21 VanDerWaalsContact O-CB 3.25Å; C18-C21 WeakPolarHBondContact O-CB 3.32Å; C18-C21 PolarHBondContact O-N 3.37Å; C18-V22 PolarHBondContact O-N 2.95Å; C18-L77 HydrophobicContact CB-CD2 3.8Å; C18-L77 WeakPolarHBondContact O-CD2 3.41Å
19L90.5Very high86.9Confident74 Ų7433.2 Ų33.239%0.38719%0.192SC..Hα-helixtrans-61.2-46.9174.5-74.3165000111.5S15 A16 C21 V22 F23 F288 L292S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.43Å; A16-L19 PolarHBondContact O-N 3.49Å; L19-C21 PolarHBondContact O-N 3.42Å; L19-V22 WeakPolarHBondContact O-CB 3.49Å; L19-V22 PolarHBondContact O-N 2.88Å; L19-V22 VanDerWaalsContact O-N 3.1Å; L19-F23 WeakPolarHBondContact O-CD2 3.12Å; L19-F288 HydrophobicContact CB-CD2 3.54Å; L19-F288 HydrophobicContact CB-CE2 3.76Å; L19-F288 HydrophobicContact CB-CG 4.01Å; L19-F288 HydrophobicContact CB-CZ 4.39Å; L19-F288 HydrophobicContact CD1-CB 4.34Å; L19-F288 HydrophobicContact CD1-CD1 4.37Å; L19-F288 HydrophobicContact CD1-CG 4.2Å; L19-L292 HydrophobicContact CD1-CD1 4.33Å
20A89.1Confident87.3Confident0 Ų031.7 Ų31.70%018%0.184CC..Hα-helixtrans-61.4-32.8174.900000112.6A16 C17 V22 F23 T24 L284 S285 F288A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.37Å; C17-A20 PolarHBondContact O-N 3.5Å; A20-V22 VanDerWaalsContact C-N 3.29Å; A20-V22 PolarHBondContact O-N 3.23Å; A20-F23 PolarHBondContact O-N 2.93Å; A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.89Å; A20-T24 VanDerWaalsContact O-N 3.09Å; A20-T24 PolarHBondContact O-OG1 2.94Å; A20-L284 HydrophobicContact CB-CB 3.83Å; A20-S285 WeakPolarHBondContact CB-OG 3.16Å; A20-F288 HydrophobicContact CB-CD2 4.35Å
21C88Confident88Confident4 Ų429 Ų293%0.02717%0.169CC..Hα-helixtrans-62.2-35.5175.2-166.90000111.9C17 C18 L19 F23 T24 N25 L77C17-C21 WeakPolarHBondContact O-CB 3.33Å; C17-C21 PolarHBondContact O-N 2.86Å; C18-C21 VanDerWaalsContact O-CB 3.25Å; C18-C21 WeakPolarHBondContact O-CB 3.32Å; C18-C21 PolarHBondContact O-N 3.37Å; L19-C21 PolarHBondContact O-N 3.42Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 3.43Å; C21-T24 WeakPolarHBondContact CA-OG1 3.44Å; C21-T24 PolarHBondContact O-N 3.33Å; C21-N25 WeakPolarHBondContact O-CB 3.45Å; C21-N25 PolarHBondContact O-N 3.47Å; C21-L77 HydrophobicContact CB-CD2 4.13Å
22V90.6Very high88.2Confident56 Ų5625.1 Ų25.134%0.33915%0.145SC..Hα-helixtrans-58.2-44.8177.4179.80000110.9C18 L19 A20 Q70 L73C18-V22 PolarHBondContact O-N 2.95Å; L19-V22 WeakPolarHBondContact O-CB 3.49Å; L19-V22 PolarHBondContact O-N 2.88Å; L19-V22 VanDerWaalsContact O-N 3.1Å; A20-V22 VanDerWaalsContact C-N 3.29Å; A20-V22 PolarHBondContact O-N 3.23Å; V22-Q70 PolarHBondContact O-NE2 3.15Å; V22-L73 HydrophobicContact CG2-CD1 4.3Å; V22-L73 HydrophobicContact CG2-CD2 4.47Å
23F89.7Confident88.3Confident126 Ų12624.1 Ų24.155%0.55314%0.14SC*.Hα-helixtrans-77.5-25.5-179.6-66.2-81.7000113.7L19 A20 C21 L284 F288L19-F23 WeakPolarHBondContact O-CD2 3.12Å; A20-F23 PolarHBondContact O-N 2.93Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 3.43Å; F23-L284 HydrophobicContact CB-CD1 3.61Å; F23-L284 HydrophobicContact CD2-CD1 4.32Å; F23-L284 HydrophobicContact CG-CD1 4.09Å; F23-F288 HydrophobicContact CD2-CE2 4.07Å; F23-F288 HydrophobicContact CD2-CZ 4.12Å; F23-F288 HydrophobicContact CE2-CE2 4.04Å; F23-F288 AromaticContact CE2-CZ 3.65Å; F23-F288 HydrophobicContact CE2-CZ 3.65Å
24T88.8Confident88.5Confident1 Ų124.3 Ų24.31%0.00614%0.137CC..Hα-helixtrans-98.6-11.5-175.253.80000114.3A20 C21 P26 L27 E28 P280 H281A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.89Å; A20-T24 VanDerWaalsContact O-N 3.09Å; A20-T24 PolarHBondContact O-OG1 2.94Å; C21-T24 WeakPolarHBondContact CA-OG1 3.44Å; C21-T24 PolarHBondContact O-N 3.33Å; T24-P26 VanDerWaalsContact C-CD 3.45Å; T24-L27 WeakPolarHBondContact O-CB 3.13Å; T24-L27 PolarHBondContact O-N 3.28Å; T24-L27 VanDerWaalsContact O-N 3.08Å; T24-E28 PolarHBondContact O-N 3.07Å; T24-P280 HydrophobicContact CG2-CB 4.32Å; T24-H281 HydrophobicContact CG2-CB 3.82Å; T24-H281 PolarHBondContact OG1-ND1 2.94Å
25N90.2Very high88.6Confident0 Ų023.3 Ų23.30%013%0.129CC..Hα-helixtrans-56.5-38.9176.4-168.882.3000114.1C21 L27 E28 V29 L69 Q70 K71 L73 Q132C21-N25 WeakPolarHBondContact O-CB 3.45Å; C21-N25 PolarHBondContact O-N 3.47Å; N25-L27 PolarHBondContact O-N 3.45Å; N25-E28 WeakPolarHBondContact O-CA 3.45Å; N25-E28 WeakPolarHBondContact O-CB 3.41Å; N25-E28 PolarHBondContact O-N 3.37Å; N25-V29 PolarHBondContact O-N 3.15Å; N25-L69 PolarHBondContact ND2-O 2.87Å; N25-L69 VanDerWaalsContact ND2-O 3.16Å; N25-Q70 VanDerWaalsContact ND2-C 3.25Å; N25-Q70 VanDerWaalsContact ND2-CA 3.31Å; N25-Q70 WeakPolarHBondContact ND2-CA 3.25Å; N25-Q70 PolarHBondContact ND2-O 3.49Å; N25-K71 PolarHBondContact ND2-O 3.35Å; N25-L73 HydrophobicContact CB-CD1 4.07Å; N25-Q132 PolarHBondContact OD1-NE2 3.45Å
26P88.8Confident88.4Confident29 Ų2921 Ų2119%0.18811%0.112CC..Hα-helixtrans-54-39.5173.4-30.739.5000113.7T24 E28 V29 V30 L69T24-P26 VanDerWaalsContact C-CD 3.45Å; P26-E28 VanDerWaalsContact C-N 3.32Å; P26-V29 PolarHBondContact O-N 2.95Å; P26-V30 PolarHBondContact O-N 3.24Å; P26-L69 VanDerWaalsContact CA-O 3.25Å; P26-L69 WeakPolarHBondContact CA-O 3.34Å; P26-L69 HydrophobicContact CB-CB 3.96Å; P26-L69 HydrophobicContact CB-CD2 4.32Å; P26-L69 HydrophobicContact CG-CB 4.22Å
27L89.1Confident88.2Confident34 Ų3421.6 Ų21.618%0.17812%0.115CC..Hα-helixtrans-72.4-31.5180-42.7178.3000110.8T24 N25 K31 F53 R277T24-L27 WeakPolarHBondContact O-CB 3.13Å; T24-L27 PolarHBondContact O-N 3.28Å; T24-L27 VanDerWaalsContact O-N 3.08Å; N25-L27 PolarHBondContact O-N 3.45Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 PolarHBondContact O-N 3.3Å; L27-F53 HydrophobicContact CB-CZ 4.36Å; L27-F53 HydrophobicContact CD2-CE1 4.43Å; L27-F53 HydrophobicContact CD2-CE2 4.31Å; L27-F53 HydrophobicContact CD2-CZ 3.53Å; L27-F53 HydrophobicContact CG-CZ 4.39Å; L27-R277 HydrophobicContact CB-CB 4.06Å; L27-R277 HydrophobicContact CB-CG 4.21Å; L27-R277 HydrophobicContact CD1-CB 4.2Å; L27-R277 HydrophobicContact CD1-CG 4.45Å
28E87.3Confident87.6Confident19 Ų1920.8 Ų20.89%0.08911%0.111CC..Hα-helixtrans-69.7-42.7174.3-66.6-172.1154.300112.7T24 N25 P26 V30 K31 T32 K128 R277T24-E28 PolarHBondContact O-N 3.07Å; N25-E28 WeakPolarHBondContact O-CA 3.45Å; N25-E28 WeakPolarHBondContact O-CB 3.41Å; N25-E28 PolarHBondContact O-N 3.37Å; P26-E28 VanDerWaalsContact C-N 3.32Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.25Å; E28-K31 PolarHBondContact O-N 3.42Å; E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 PolarHBondContact O-N 3.25Å; E28-T32 PolarHBondContact O-OG1 3.4Å; E28-T32 VanDerWaalsContact O-OG1 3.05Å; E28-K128 IonicContact OE1-NZ 2.77Å; E28-K128 WeakPolarHBondContact OE2-CE 3.28Å; E28-K128 IonicContact OE2-NZ 3.79Å; E28-K128 PolarHBondContact OE2-NZ 3.18Å; E28-R277 HydrophobicContact CG-CG 4.28Å; E28-R277 IonicContact OE1-CZ 3.57Å; E28-R277 IonicContact OE1-NE 3.41Å; E28-R277 IonicContact OE1-NH1 2.67Å; E28-R277 PolarHBondContact OE1-NH1 3.47Å
29V88Confident87.1Confident0 Ų020.5 Ų20.50%011%0.106CC..Hα-helixtrans-56.8-48.5175.7174.30000110.2N25 P26 K31 T32 R33 L69 K71 Q132N25-V29 PolarHBondContact O-N 3.15Å; P26-V29 PolarHBondContact O-N 2.95Å; V29-K31 PolarHBondContact O-N 2.84Å; V29-T32 PolarHBondContact O-N 3.01Å; V29-R33 WeakPolarHBondContact O-CG 3.29Å; V29-R33 PolarHBondContact O-N 2.98Å; V29-R33 VanDerWaalsContact O-N 3.07Å; V29-L69 WeakPolarHBondContact CG2-O 3.36Å; V29-K71 HydrophobicContact CG2-CB 4.48Å; V29-Q132 HydrophobicContact CG2-CB 4.41Å; V29-Q132 HydrophobicContact CG2-CG 3.95Å
30V88.4Confident86.4Confident1 Ų119.2 Ų19.21%0.00610%0.099CC..Hα-helixtrans-64.4-41178.8172.90000111.7P26 E28 L34 F53 V57 V60 L69P26-V30 PolarHBondContact O-N 3.24Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 3.39Å; V30-L34 HydrophobicContact CG1-CD1 3.8Å; V30-L34 HydrophobicContact CG1-CG 4.47Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.49Å; V30-F53 HydrophobicContact CB-CE2 4.4Å; V30-F53 HydrophobicContact CG1-CD2 3.82Å; V30-F53 HydrophobicContact CG1-CE2 4.04Å; V30-V57 HydrophobicContact CG1-CG2 4.43Å; V30-V57 HydrophobicContact CG2-CB 4.46Å; V30-V57 HydrophobicContact CG2-CG2 3.86Å; V30-V60 HydrophobicContact CG2-CG2 4.29Å; V30-L69 HydrophobicContact CG2-CD2 4.26Å
31K89.8Confident85.7Confident11 Ų1123.7 Ų23.75%0.04812%0.12CC..Hα-helixtrans-57.9-53174.2-177.5-175.8170.9177.80111.1L27 E28 V29 R33 L34 Q35 D228 P273 A274L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 PolarHBondContact O-N 3.3Å; E28-K31 WeakPolarHBondContact O-CB 3.25Å; E28-K31 PolarHBondContact O-N 3.42Å; V29-K31 PolarHBondContact O-N 2.84Å; K31-R33 VanDerWaalsContact C-N 3.33Å; K31-R33 PolarHBondContact O-N 2.98Å; K31-L34 PolarHBondContact O-N 3.44Å; K31-Q35 VanDerWaalsContact CE-NE2 3.25Å; K31-Q35 HydrophobicContact CG-CG 4.37Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 2.97Å; K31-Q35 PolarHBondContact O-N 2.86Å; K31-D228 IonicContact NZ-OD2 3.67Å; K31-D228 PolarHBondContact NZ-OD2 3.4Å; K31-P273 HydrophobicContact CB-CB 4.01Å; K31-P273 HydrophobicContact CB-CG 4.29Å; K31-P273 HydrophobicContact CG-CB 4.48Å; K31-P273 HydrophobicContact CG-CG 4.42Å; K31-A274 HydrophobicContact CD-CB 4.2Å
32T87.8Confident84.8Confident5 Ų525.7 Ų25.73%0.03114%0.137CC..Hα-helixtrans-57.5-46.5-177-63.40000110.7E28 V29 Q35 L36 Q132 T232E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 PolarHBondContact O-N 3.25Å; E28-T32 PolarHBondContact O-OG1 3.4Å; E28-T32 VanDerWaalsContact O-OG1 3.05Å; V29-T32 PolarHBondContact O-N 3.01Å; T32-Q35 PolarHBondContact O-N 2.68Å; T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 WeakPolarHBondContact O-CG 3.36Å; T32-L36 PolarHBondContact O-N 3.03Å; T32-L36 VanDerWaalsContact O-N 3.12Å; T32-Q132 HydrophobicContact CG2-CB 3.97Å; T32-Q132 PolarHBondContact OG1-OE1 3.35Å; T32-Q132 VanDerWaalsContact OG1-OE1 3.04Å; T32-T232 HydrophobicContact CG2-CG2 3.91Å
33R88.9Confident83.7Confident2 Ų231.1 Ų31.11%0.00815%0.152CC..Hα-helixtrans-65.7-40.4178.2-66.2-179.8-172.6-1677.4113.2V29 K31 Q35 L36 Q37 Y50 D64 Q132 Q134 T135V29-R33 WeakPolarHBondContact O-CG 3.29Å; V29-R33 PolarHBondContact O-N 2.98Å; V29-R33 VanDerWaalsContact O-N 3.07Å; K31-R33 VanDerWaalsContact C-N 3.33Å; K31-R33 PolarHBondContact O-N 2.98Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 2.94Å; R33-L36 PolarHBondContact O-N 3.39Å; R33-Q37 PolarHBondContact O-N 2.85Å; R33-Q37 VanDerWaalsContact O-N 3.15Å; R33-Y50 HydrophobicContact CB-CD2 4.25Å; R33-Y50 HydrophobicContact CB-CE2 3.92Å; R33-Y50 WeakPolarHBondContact CD-OH 3.36Å; R33-Y50 PolarHBondContact NH1-OH 3.39Å; R33-D64 IonicContact CZ-OD2 3.16Å; R33-D64 IonicContact NH1-OD2 2.74Å; R33-D64 PolarHBondContact NH1-OD2 2.91Å; R33-D64 IonicContact NH2-OD2 2.69Å; R33-D64 PolarHBondContact NH2-OD2 3.02Å; R33-Q132 PolarHBondContact NE-O 2.91Å; R33-Q132 VanDerWaalsContact NE-O 3.09Å; R33-Q134 PolarHBondContact NH2-O 2.96Å; R33-T135 PolarHBondContact NH1-OG1 3.42Å
34L86.7Confident82.7Confident21 Ų2128 Ų2811%0.1116%0.155CC..Hα-helixtrans-64.4-35.2175.1-80.2168.4000112.7V30 K31 Q37 P273V30-L34 HydrophobicContact CG1-CD1 3.8Å; V30-L34 HydrophobicContact CG1-CG 4.47Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.49Å; K31-L34 PolarHBondContact O-N 3.44Å; L34-Q37 PolarHBondContact O-N 3.46Å; L34-P273 HydrophobicContact CD1-CG 3.97Å
35Q86Confident81.9Confident1 Ų132.8 Ų32.81%0.00518%0.184CC..Hα-helixtrans-72.8-32.3179.1-71.8-173.7-30.500113.1K31 T32 R33 Q37 V229 T232 R233 K269K31-Q35 VanDerWaalsContact CE-NE2 3.25Å; K31-Q35 HydrophobicContact CG-CG 4.37Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 2.97Å; K31-Q35 PolarHBondContact O-N 2.86Å; T32-Q35 PolarHBondContact O-N 2.68Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 2.94Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-V229 HydrophobicContact CG-CG2 4.03Å; Q35-T232 HydrophobicContact CB-CG2 4.22Å; Q35-T232 PolarHBondContact OE1-OG1 3.27Å; Q35-R233 PolarHBondContact O-NE 3.34Å; Q35-R233 VanDerWaalsContact O-NE 3.1Å; Q35-R233 PolarHBondContact O-NH2 3.14Å; Q35-K269 WeakPolarHBondContact CG-O 3.3Å
36L85.4Confident81.3Confident1 Ų133.7 Ų33.71%0.00519%0.188CC..Hα-helixtrans-79.7-14.1175-65.1173000112.5T32 R33 G38 E39 A133 V141 T232 R233 N236T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 WeakPolarHBondContact O-CG 3.36Å; T32-L36 PolarHBondContact O-N 3.03Å; T32-L36 VanDerWaalsContact O-N 3.12Å; R33-L36 PolarHBondContact O-N 3.39Å; L36-G38 PolarHBondContact O-N 2.9Å; L36-E39 PolarHBondContact O-N 3.1Å; L36-A133 HydrophobicContact CD1-CB 3.43Å; L36-A133 VanDerWaalsContact CD1-CB 3.43Å; L36-V141 HydrophobicContact CB-CG1 3.6Å; L36-V141 WeakPolarHBondContact O-CG1 3.45Å; L36-T232 HydrophobicContact CD1-CG2 4.46Å; L36-T232 HydrophobicContact CD2-CG2 4.03Å; L36-T232 HydrophobicContact CG-CG2 4Å; L36-R233 HydrophobicContact CD2-CG 3.95Å; L36-N236 HydrophobicContact CD1-CB 4.02Å; L36-N236 HydrophobicContact CD2-CB 3.57Å; L36-N236 HydrophobicContact CG-CB 4.45Å
37Q82.8Confident80.5Confident13 Ų1337.7 Ų37.76%0.06121%0.214CC..THydrogen-bonded Turntrans-68.6122.9-175.1-163.8-176.9-10200112.8R33 L34 Q35 Y46 P49 Y50 V141 K269R33-Q37 PolarHBondContact O-N 2.85Å; R33-Q37 VanDerWaalsContact O-N 3.15Å; L34-Q37 PolarHBondContact O-N 3.46Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q37-Y46 HydrophobicContact CG-CD2 4.37Å; Q37-Y46 HydrophobicContact CG-CE2 3.74Å; Q37-P49 VanDerWaalsContact OE1-CD 3.24Å; Q37-Y50 PolarHBondContact NE2-O 3.22Å; Q37-Y50 VanDerWaalsContact OE1-CB 3.27Å; Q37-V141 HydrophobicContact CB-CG1 3.9Å; Q37-V141 HydrophobicContact CB-CG2 4.49Å; Q37-V141 HydrophobicContact CG-CG1 4.41Å; Q37-V141 HydrophobicContact CG-CG2 4.25Å; Q37-K269 PolarHBondContact O-NZ 3.49Å
38G75.6Confident79.9Confident7 Ų739.6 Ų39.67%0.07222%0.222CC..THydrogen-bonded Turntrans73.631.6-179.300000113.3L36 L40 Q41 E262L36-G38 PolarHBondContact O-N 2.9Å; G38-L40 PolarHBondContact O-N 2.92Å; G38-Q41 PolarHBondContact O-N 2.88Å; G38-Q41 VanDerWaalsContact O-N 3.12Å; G38-E262 VanDerWaalsContact O-OE1 3.04Å
39E78.6Confident79.3Confident26 Ų2640.5 Ų40.512%0.12123%0.229CC..THydrogen-bonded Turntrans-52.7119.3174.4179.2165.6-125.400111.3L36 Q41 Y248L36-E39 PolarHBondContact O-N 3.1Å; E39-Q41 PolarHBondContact O-N 2.9Å; E39-Y248 WeakPolarHBondContact CG-OH 3.2Å; E39-Y248 WeakPolarHBondContact OE1-CE2 3.33Å; E39-Y248 PolarHBondContact OE1-OH 3.36Å
40L73.9Confident78.8Confident46 Ų4640.7 Ų40.724%0.24123%0.23CC..THydrogen-bonded Turntrans59.623.3-179.2-59.1172.9000114.3G38 L247 Y248 K257 Q261 E262G38-L40 PolarHBondContact O-N 2.92Å; L40-L247 HydrophobicContact CD1-CB 4.15Å; L40-L247 HydrophobicContact CD1-CD1 4.47Å; L40-L247 HydrophobicContact CD1-CD2 3.86Å; L40-L247 HydrophobicContact CD1-CG 4.38Å; L40-Y248 HydrophobicContact CD2-CE1 3.68Å; L40-Y248 HydrophobicContact CG-CE1 4.32Å; L40-Y248 WeakPolarHBondContact CG-OH 3.37Å; L40-K257 HydrophobicContact CD2-CB 4.05Å; L40-K257 HydrophobicContact CD2-CD 4.48Å; L40-Q261 PolarHBondContact O-OE1 3.36Å; L40-E262 PolarHBondContact N-OE1 2.56Å
41Q75.6Confident78.3Confident94 Ų9449.3 Ų49.344%0.43926%0.262SS..SBendtrans-123.3134179.3-67.9178.7-7.700110.9G38 E39 Y46G38-Q41 PolarHBondContact O-N 2.88Å; G38-Q41 VanDerWaalsContact O-N 3.12Å; E39-Q41 PolarHBondContact O-N 2.9Å; Q41-Y46 HydrophobicContact CB-CD1 3.81Å; Q41-Y46 HydrophobicContact CB-CG 4.43Å
42A69.2Low77.9Confident46 Ų4651.2 Ų51.238%0.3829%0.286SS..  trans-58.8145.917900000111.3G44 T45 Y46 Q261A42-G44 PolarHBondContact O-N 3.49Å; A42-G44 VanDerWaalsContact O-N 3.13Å; A42-T45 HydrophobicContact CB-CG2 4Å; A42-T45 PolarHBondContact O-N 3.42Å; A42-T45 VanDerWaalsContact O-N 3.16Å; A42-T45 PolarHBondContact O-OG1 3.43Å; A42-Y46 VanDerWaalsContact O-CD1 3.3Å; A42-Y46 WeakPolarHBondContact O-CD1 3.41Å; A42-Y46 WeakPolarHBondContact O-CE1 3.43Å; A42-Q261 WeakPolarHBondContact CA-O 3.19Å
43R68.2Low77.6Confident170 Ų17052.2 Ų52.264%0.64229%0.289SS*.THydrogen-bonded Turntrans-62.8121.6-177-166.5175.9179.9-179.6-2110.1
44G67.8Low77.5Confident60 Ų6058.2 Ų58.262%0.61932%0.319SS*.THydrogen-bonded Turntrans98.4-6.9178.600000114.9A42 Y46A42-G44 PolarHBondContact O-N 3.49Å; A42-G44 VanDerWaalsContact O-N 3.13Å; G44-Y46 VanDerWaalsContact C-N 3.35Å
45T72.1Confident77.4Confident102 Ų10259.9 Ų59.963%0.62634%0.336SS*.SBendtrans-90-0.3176.664.30000113.6A42A42-T45 HydrophobicContact CB-CG2 4Å; A42-T45 PolarHBondContact O-N 3.42Å; A42-T45 VanDerWaalsContact O-N 3.16Å; A42-T45 PolarHBondContact O-OG1 3.43Å
46Y76.6Confident77.4Confident19 Ų1959.9 Ų59.98%0.07534%0.336CS..SBendtrans-130.9149.2-172.365.8-97.5000111.6Q37 Q41 A42 G44 Q48 K269Q37-Y46 HydrophobicContact CG-CD2 4.37Å; Q37-Y46 HydrophobicContact CG-CE2 3.74Å; Q41-Y46 HydrophobicContact CB-CD1 3.81Å; Q41-Y46 HydrophobicContact CB-CG 4.43Å; A42-Y46 VanDerWaalsContact O-CD1 3.3Å; A42-Y46 WeakPolarHBondContact O-CD1 3.41Å; A42-Y46 WeakPolarHBondContact O-CE1 3.43Å; G44-Y46 VanDerWaalsContact C-N 3.35Å; Y46-Q48 HydrophobicContact CD2-CG 4.19Å; Y46-Q48 HydrophobicContact CE2-CG 3.74Å; Y46-Q48 PolarHBondContact O-N 2.94Å; Y46-K269 PolarHBondContact OH-NZ 2.97Å
47P72.8Confident77.4Confident113 Ų11361.5 Ų61.573%0.73435%0.346SS*.  trans-61.6133.6176.425.6-32.9000109.6P49P47-P49 WeakPolarHBondContact O-CD 3.43Å
48Q77Confident77.6Confident75 Ų7562.9 Ų62.935%0.3536%0.359SS..  trans-105.378.4-179.8-70.1-178.3-12.700110.4Y46 Y50Y46-Q48 HydrophobicContact CD2-CG 4.19Å; Y46-Q48 HydrophobicContact CE2-CG 3.74Å; Y46-Q48 PolarHBondContact O-N 2.94Å; Q48-Y50 PolarHBondContact O-N 3.03Å
49P73.4Confident78Confident37 Ų3763.6 Ų63.624%0.2436%0.364CS..SBendtrans-62.5-30.3177.823.4-32.5000112.2Q37 P47 M139 V141Q37-P49 VanDerWaalsContact OE1-CD 3.24Å; P47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-M139 HydrophobicContact CB-CE 3.44Å; P49-M139 VanDerWaalsContact CB-CE 3.44Å; P49-M139 HydrophobicContact CB-SD 3.32Å; P49-M139 WeakPolarHBondContact CB-SD 3.39Å; P49-V141 HydrophobicContact CG-CG2 4.01Å
50Y78.4Confident78.3Confident5 Ų562.3 Ų62.32%0.0236%0.359CS..  trans-107.8100.7-177.9-58.1-64.8000110.4R33 Q37 Q48 S56 V60 M139 V141R33-Y50 HydrophobicContact CB-CD2 4.25Å; R33-Y50 HydrophobicContact CB-CE2 3.92Å; R33-Y50 WeakPolarHBondContact CD-OH 3.36Å; R33-Y50 PolarHBondContact NH1-OH 3.39Å; Q37-Y50 PolarHBondContact NE2-O 3.22Å; Q37-Y50 VanDerWaalsContact OE1-CB 3.27Å; Q48-Y50 PolarHBondContact O-N 3.03Å; Y50-S56 WeakPolarHBondContact CA-OG 3.11Å; Y50-S56 VanDerWaalsContact CB-OG 3.24Å; Y50-S56 WeakPolarHBondContact CB-OG 3.36Å; Y50-V60 HydrophobicContact CD1-CG2 4.47Å; Y50-V60 HydrophobicContact CE1-CG2 3.66Å; Y50-M139 HydrophobicContact CD1-CE 4.16Å; Y50-M139 HydrophobicContact CE1-CE 3.59Å; Y50-M139 PolarHBondContact OH-O 3.47Å; Y50-V141 HydrophobicContact CD2-CG2 4.08Å; Y50-V141 HydrophobicContact CE2-CG2 3.79Å
51R78.7Confident78.9Confident181 Ų18161.6 Ų61.668%0.68336%0.359SS*.  trans-104.2108.7177.3-69.4-174.2175.8-174.1-1.8110.4A55R51-A55 WeakPolarHBondContact O-CB 3.47Å
52G80.8Confident79.4Confident52 Ų5267.7 Ų67.754%0.53638%0.378SS..SBendtrans62.6-179.2-179.100000113.2S56G52-S56 VanDerWaalsContact O-CB 3.24Å; G52-S56 WeakPolarHBondContact O-CB 3.33Å; G52-S56 PolarHBondContact O-N 2.97Å; G52-S56 PolarHBondContact O-OG 3.24Å
53F81.9Confident80.1Confident25 Ų2568.7 Ų68.711%0.1138%0.379CS..Hα-helixtrans-76.9-55.3-173.8177.8-120.4000113.3L27 V30 A55 S56 V57 P273 L276L27-F53 HydrophobicContact CB-CZ 4.36Å; L27-F53 HydrophobicContact CD2-CE1 4.43Å; L27-F53 HydrophobicContact CD2-CE2 4.31Å; L27-F53 HydrophobicContact CD2-CZ 3.53Å; L27-F53 HydrophobicContact CG-CZ 4.39Å; V30-F53 HydrophobicContact CB-CE2 4.4Å; V30-F53 HydrophobicContact CG1-CD2 3.82Å; V30-F53 HydrophobicContact CG1-CE2 4.04Å; F53-A55 PolarHBondContact O-N 3.43Å; F53-S56 WeakPolarHBondContact O-CB 3.48Å; F53-S56 PolarHBondContact O-N 2.86Å; F53-S56 VanDerWaalsContact O-N 3.14Å; F53-V57 HydrophobicContact CD2-CG2 4.36Å; F53-V57 HydrophobicContact CE2-CG2 4.05Å; F53-V57 HydrophobicContact CZ-CG2 4.17Å; F53-V57 WeakPolarHBondContact O-CG2 3.5Å; F53-V57 PolarHBondContact O-N 3.26Å; F53-P273 HydrophobicContact CD2-CB 3.58Å; F53-P273 HydrophobicContact CD2-CG 4.27Å; F53-P273 HydrophobicContact CE2-CB 3.63Å; F53-L276 HydrophobicContact CD1-CD1 3.24Å; F53-L276 HydrophobicContact CE1-CB 4.13Å; F53-L276 HydrophobicContact CE1-CD1 3.41Å; F53-L276 VanDerWaalsContact CE1-CD1 3.41Å; F53-L276 HydrophobicContact CE1-CG 4.39Å; F53-L276 HydrophobicContact CG-CD1 4.01Å; F53-L276 HydrophobicContact CZ-CB 4.32Å; F53-L276 HydrophobicContact CZ-CD1 4.27Å
54M85.3Confident80.8Confident129 Ų12962 Ų6264%0.63536%0.357SS*.Hα-helixtrans-63.2-44.9-175.2-72.6-70100.400113.2S56 V57 A58M54-S56 VanDerWaalsContact C-N 3.25Å; M54-S56 PolarHBondContact O-N 2.94Å; M54-V57 HydrophobicContact CE-CG2 4.36Å; M54-V57 PolarHBondContact O-N 3.35Å; M54-A58 PolarHBondContact O-N 2.87Å
55A85.6Confident81.6Confident56 Ų5660.5 Ų60.546%0.46334%0.341SS..Hα-helixtrans-66.9-29.1176.700000112R51 F53 A59R51-A55 WeakPolarHBondContact O-CB 3.47Å; F53-A55 PolarHBondContact O-N 3.43Å; A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 3.4Å
56S85.1Confident82.2Confident0 Ų062.2 Ų62.20%035%0.346CS..Hα-helixtrans-69.7-41.9172.4-59.60000112.5Y50 G52 F53 M54 A58 A59 V60Y50-S56 WeakPolarHBondContact CA-OG 3.11Å; Y50-S56 VanDerWaalsContact CB-OG 3.24Å; Y50-S56 WeakPolarHBondContact CB-OG 3.36Å; G52-S56 VanDerWaalsContact O-CB 3.24Å; G52-S56 WeakPolarHBondContact O-CB 3.33Å; G52-S56 PolarHBondContact O-N 2.97Å; G52-S56 PolarHBondContact O-OG 3.24Å; F53-S56 WeakPolarHBondContact O-CB 3.48Å; F53-S56 PolarHBondContact O-N 2.86Å; F53-S56 VanDerWaalsContact O-N 3.14Å; M54-S56 VanDerWaalsContact C-N 3.25Å; M54-S56 PolarHBondContact O-N 2.94Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.94Å; S56-A59 PolarHBondContact O-N 3.45Å; S56-V60 VanDerWaalsContact O-CG2 3.31Å; S56-V60 WeakPolarHBondContact O-CG2 3.15Å; S56-V60 PolarHBondContact O-N 2.7Å
57V86.2Confident82.5Confident35 Ų3572 Ų7221%0.21238%0.383CS..Hα-helixtrans-57.8-48.6173.1175.60000110.1V30 F53 M54 A59 V60 A61V30-V57 HydrophobicContact CG1-CG2 4.43Å; V30-V57 HydrophobicContact CG2-CB 4.46Å; V30-V57 HydrophobicContact CG2-CG2 3.86Å; F53-V57 HydrophobicContact CD2-CG2 4.36Å; F53-V57 HydrophobicContact CE2-CG2 4.05Å; F53-V57 HydrophobicContact CZ-CG2 4.17Å; F53-V57 WeakPolarHBondContact O-CG2 3.5Å; F53-V57 PolarHBondContact O-N 3.26Å; M54-V57 HydrophobicContact CE-CG2 4.36Å; M54-V57 PolarHBondContact O-N 3.35Å; V57-A59 PolarHBondContact O-N 3.24Å; V57-V60 PolarHBondContact O-N 3.37Å; V57-A61 WeakPolarHBondContact O-CB 3.27Å; V57-A61 PolarHBondContact O-N 2.94Å
58A86.9Confident82.9Confident42 Ų4266.7 Ų66.735%0.34735%0.348SS..Hα-helixtrans-63.4-40.2178.900000112.4M54 S56 A61 R62M54-A58 PolarHBondContact O-N 2.87Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.94Å; A58-A61 PolarHBondContact O-N 3.45Å; A58-R62 WeakPolarHBondContact O-CB 3.22Å; A58-R62 VanDerWaalsContact O-CG 3.3Å; A58-R62 WeakPolarHBondContact O-CG 3.46Å; A58-R62 PolarHBondContact O-N 2.93Å
59A84.8Confident83.2Confident22 Ų2263.8 Ų63.818%0.18234%0.335CS..Hα-helixtrans-63.6-45.4177.100000111.7A55 S56 V57 R62 V63 M139A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 3.4Å; S56-A59 PolarHBondContact O-N 3.45Å; V57-A59 PolarHBondContact O-N 3.24Å; A59-R62 PolarHBondContact O-N 3.27Å; A59-V63 WeakPolarHBondContact O-CB 3.37Å; A59-V63 VanDerWaalsContact O-CG2 3.32Å; A59-V63 WeakPolarHBondContact O-CG2 3.31Å; A59-V63 PolarHBondContact O-N 3.32Å; A59-M139 HydrophobicContact CB-CE 3.92Å
60V84.6Confident84Confident0 Ų063.8 Ų63.80%033%0.332CS..Hα-helixtrans-63.7-45176.2178.20000110.8V30 Y50 S56 V57 R62 V63 D64 G65 L69V30-V60 HydrophobicContact CG2-CG2 4.29Å; Y50-V60 HydrophobicContact CD1-CG2 4.47Å; Y50-V60 HydrophobicContact CE1-CG2 3.66Å; S56-V60 VanDerWaalsContact O-CG2 3.31Å; S56-V60 WeakPolarHBondContact O-CG2 3.15Å; S56-V60 PolarHBondContact O-N 2.7Å; V57-V60 PolarHBondContact O-N 3.37Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 3.01Å; V60-V63 PolarHBondContact O-N 2.77Å; V60-D64 HydrophobicContact CG1-CB 4.33Å; V60-D64 PolarHBondContact O-N 3.03Å; V60-G65 PolarHBondContact O-N 3.44Å; V60-L69 HydrophobicContact CB-CD2 3.87Å; V60-L69 HydrophobicContact CG1-CD2 3.61Å; V60-L69 HydrophobicContact CG1-CG 4.01Å
61A86.6Confident84.4Confident31 Ų3166.4 Ų66.426%0.25634%0.344SS..Hα-helixtrans-61.5-36.5179.400000112.8V57 A58 G65 L69V57-A61 WeakPolarHBondContact O-CB 3.27Å; V57-A61 PolarHBondContact O-N 2.94Å; A58-A61 PolarHBondContact O-N 3.45Å; A61-G65 CarbonylContact O-C 3.56Å; A61-G65 WeakPolarHBondContact O-CA 3.18Å; A61-G65 PolarHBondContact O-N 3Å; A61-L69 HydrophobicContact CB-CD1 4.07Å
62R86.3Confident84.7Confident221 Ų22158.2 Ų58.283%0.83432%0.316SS*.Hα-helixtrans-75.6-37.5178.6-74.6177.7-179.6-179.80.4113.2A58 A59 V60A58-R62 WeakPolarHBondContact O-CB 3.22Å; A58-R62 VanDerWaalsContact O-CG 3.3Å; A58-R62 WeakPolarHBondContact O-CG 3.46Å; A58-R62 PolarHBondContact O-N 2.93Å; A59-R62 PolarHBondContact O-N 3.27Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 3.01Å
63V84.2Confident85.2Confident67 Ų6757.4 Ų57.441%0.40630%0.299SS..Hα-helixtrans-89.2-49.3-174177.40000112A59 V60 V136 M139A59-V63 WeakPolarHBondContact O-CB 3.37Å; A59-V63 VanDerWaalsContact O-CG2 3.32Å; A59-V63 WeakPolarHBondContact O-CG2 3.31Å; A59-V63 PolarHBondContact O-N 3.32Å; V60-V63 PolarHBondContact O-N 2.77Å; V63-V136 HydrophobicContact CG1-CB 4.05Å; V63-V136 HydrophobicContact CG1-CG2 3.86Å; V63-M139 HydrophobicContact CG1-CG 4.18Å; V63-M139 HydrophobicContact CG2-CG 4.25Å
64D81.3Confident85.6Confident30 Ų3059.1 Ų59.116%0.1632%0.318CS..THydrogen-bonded Turntrans-99.6-3.3-175.6-64.9-11.8000112.7R33 V60 G68 T135R33-D64 IonicContact CZ-OD2 3.16Å; R33-D64 IonicContact NH1-OD2 2.74Å; R33-D64 PolarHBondContact NH1-OD2 2.91Å; R33-D64 IonicContact NH2-OD2 2.69Å; R33-D64 PolarHBondContact NH2-OD2 3.02Å; V60-D64 HydrophobicContact CG1-CB 4.33Å; V60-D64 PolarHBondContact O-N 3.03Å; D64-G68 PolarHBondContact O-N 3.14Å; D64-T135 VanDerWaalsContact CG-OG1 3.31Å; D64-T135 PolarHBondContact OD1-OG1 2.73Å; D64-T135 WeakPolarHBondContact OD2-CB 3.48Å; D64-T135 PolarHBondContact OD2-OG1 3.16Å
65G85.3Confident85.7Confident29 Ų2953 Ų5330%0.29929%0.287SS..Hα-helixtrans73.9180-174.600000113.9V60 A61 W67 G68V60-G65 PolarHBondContact O-N 3.44Å; A61-G65 CarbonylContact O-C 3.56Å; A61-G65 WeakPolarHBondContact O-CA 3.18Å; A61-G65 PolarHBondContact O-N 3Å; G65-W67 VanDerWaalsContact C-N 3.29Å; G65-W67 PolarHBondContact O-N 3.24Å; G65-G68 PolarHBondContact O-N 3.25Å; G65-G68 VanDerWaalsContact O-N 3.11Å
66L84.2Confident85.8Confident138 Ų13850.3 Ų50.372%0.72327%0.265SS*.Hα-helixtrans-64.6-32.7178-65176.2000112.5G68 L69L66-G68 VanDerWaalsContact C-N 3.29Å; L66-G68 PolarHBondContact O-N 3.33Å; L66-L69 HydrophobicContact CD2-CD1 4.46Å; L66-L69 WeakPolarHBondContact O-CB 3.42Å; L66-L69 PolarHBondContact O-N 2.99Å
67W83.5Confident86.1Confident224 Ų22453 Ų5385%0.84828%0.279SS*.Hα-helixtrans-70.1-26.7174.3-66.9108.5000112.8G65 L69 Q70 K71G65-W67 VanDerWaalsContact C-N 3.29Å; G65-W67 PolarHBondContact O-N 3.24Å; W67-L69 VanDerWaalsContact C-N 3.27Å; W67-L69 PolarHBondContact O-N 3.45Å; W67-Q70 PolarHBondContact O-N 3.5Å; W67-K71 PolarHBondContact O-N 3.23Å
68G80.5Confident86.3Confident1 Ų155.5 Ų55.51%0.0129%0.291CS..Hα-helixtrans-59.5-36.6171.500000113.4D64 G65 L66 Q70 K71D64-G68 PolarHBondContact O-N 3.14Å; G65-G68 PolarHBondContact O-N 3.25Å; G65-G68 VanDerWaalsContact O-N 3.11Å; L66-G68 VanDerWaalsContact C-N 3.29Å; L66-G68 PolarHBondContact O-N 3.33Å; G68-Q70 PolarHBondContact O-N 3.39Å; G68-K71 WeakPolarHBondContact O-CG 3.31Å; G68-K71 PolarHBondContact O-N 2.83Å
69L84.3Confident86.4Confident15 Ų1554.9 Ų54.98%0.07928%0.28CS..THydrogen-bonded Turntrans-69.7-20.3174.2-69.2168.2000112.7N25 P26 V29 V30 V60 A61 L66 W67N25-L69 PolarHBondContact ND2-O 2.87Å; N25-L69 VanDerWaalsContact ND2-O 3.16Å; P26-L69 VanDerWaalsContact CA-O 3.25Å; P26-L69 WeakPolarHBondContact CA-O 3.34Å; P26-L69 HydrophobicContact CB-CB 3.96Å; P26-L69 HydrophobicContact CB-CD2 4.32Å; P26-L69 HydrophobicContact CG-CB 4.22Å; V29-L69 WeakPolarHBondContact CG2-O 3.36Å; V30-L69 HydrophobicContact CG2-CD2 4.26Å; V60-L69 HydrophobicContact CB-CD2 3.87Å; V60-L69 HydrophobicContact CG1-CD2 3.61Å; V60-L69 HydrophobicContact CG1-CG 4.01Å; A61-L69 HydrophobicContact CB-CD1 4.07Å; L66-L69 HydrophobicContact CD2-CD1 4.46Å; L66-L69 WeakPolarHBondContact O-CB 3.42Å; L66-L69 PolarHBondContact O-N 2.99Å; W67-L69 VanDerWaalsContact C-N 3.27Å; W67-L69 PolarHBondContact O-N 3.45Å
70Q89.5Confident86.5Confident37 Ų3755.2 Ų55.217%0.17328%0.278CS..THydrogen-bonded Turntrans-97.77.5179.5-149.562.49.300113.7V22 N25 W67 G68 G72 L73V22-Q70 PolarHBondContact O-NE2 3.15Å; N25-Q70 VanDerWaalsContact ND2-C 3.25Å; N25-Q70 VanDerWaalsContact ND2-CA 3.31Å; N25-Q70 WeakPolarHBondContact ND2-CA 3.25Å; N25-Q70 PolarHBondContact ND2-O 3.49Å; W67-Q70 PolarHBondContact O-N 3.5Å; G68-Q70 PolarHBondContact O-N 3.39Å; Q70-G72 PolarHBondContact O-N 3.06Å; Q70-L73 HydrophobicContact CG-CB 3.96Å; Q70-L73 HydrophobicContact CG-CD2 3.81Å; Q70-L73 HydrophobicContact CG-CG 4.38Å; Q70-L73 VanDerWaalsContact NE2-CD2 3.31Å; Q70-L73 WeakPolarHBondContact O-CB 3.38Å; Q70-L73 PolarHBondContact O-N 3.48Å
71K86.7Confident86.6Confident60 Ų6057 Ų5726%0.26130%0.297SS..THydrogen-bonded Turntrans-56.3140.5176.7-76.1-176.1-179-172.50111.4N25 V29 W67 G68 L73 Q132 Q134N25-K71 PolarHBondContact ND2-O 3.35Å; V29-K71 HydrophobicContact CG2-CB 4.48Å; W67-K71 PolarHBondContact O-N 3.23Å; G68-K71 WeakPolarHBondContact O-CG 3.31Å; G68-K71 PolarHBondContact O-N 2.83Å; K71-L73 VanDerWaalsContact C-N 3.25Å; K71-L73 PolarHBondContact O-N 2.91Å; K71-Q132 WeakPolarHBondContact O-CG 3.35Å; K71-Q134 PolarHBondContact NZ-O 3.41Å
72G86.1Confident86.6Confident9 Ų958.7 Ų58.79%0.09330%0.301CS..THydrogen-bonded Turntrans74.53.6179.900000115.4Q70 A74 A75 G76Q70-G72 PolarHBondContact O-N 3.06Å; G72-A74 PolarHBondContact O-N 3.48Å; G72-A75 PolarHBondContact O-N 3Å; G72-G76 PolarHBondContact O-N 3.43Å
73L89.9Confident86.6Confident34 Ų3449.3 Ų49.318%0.17827%0.267CS..Hα-helixtrans-55.1-48.8-179.217767000112.5V22 N25 Q70 K71 A75 G76 L77V22-L73 HydrophobicContact CG2-CD1 4.3Å; V22-L73 HydrophobicContact CG2-CD2 4.47Å; N25-L73 HydrophobicContact CB-CD1 4.07Å; Q70-L73 HydrophobicContact CG-CB 3.96Å; Q70-L73 HydrophobicContact CG-CD2 3.81Å; Q70-L73 HydrophobicContact CG-CG 4.38Å; Q70-L73 VanDerWaalsContact NE2-CD2 3.31Å; Q70-L73 WeakPolarHBondContact O-CB 3.38Å; Q70-L73 PolarHBondContact O-N 3.48Å; K71-L73 VanDerWaalsContact C-N 3.25Å; K71-L73 PolarHBondContact O-N 2.91Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 2.68Å; L73-G76 CarbonylContact O-C 3.51Å; L73-G76 WeakPolarHBondContact O-CA 3.25Å; L73-G76 PolarHBondContact O-N 3.15Å; L73-L77 HydrophobicContact CD1-CD1 4.33Å; L73-L77 HydrophobicContact CD1-CD2 4.35Å; L73-L77 HydrophobicContact CD1-CG 4.08Å; L73-L77 HydrophobicContact CD2-CD1 4.48Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CG-CG 4.23Å; L73-L77 WeakPolarHBondContact O-CG 3.31Å; L73-L77 PolarHBondContact O-N 2.89Å
74A90Very high86.6Confident62 Ų6246.3 Ų46.351%0.51225%0.248SC..Hα-helixtrans-58.9-42.9-178.800000112.2G72 G76 L77 L78 V150G72-A74 PolarHBondContact O-N 3.48Å; A74-G76 VanDerWaalsContact C-N 3.33Å; A74-L77 PolarHBondContact O-N 3.49Å; A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 PolarHBondContact O-N 2.93Å; A74-V150 HydrophobicContact CB-CG2 4.02Å
75A88.6Confident86.7Confident0 Ų046.8 Ų46.80%026%0.261CS..Hα-helixtrans-67.2-34.4173.900000111.9G72 L73 Y79 I127 K128 V150G72-A75 PolarHBondContact O-N 3Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 2.68Å; A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.49Å; A75-Y79 PolarHBondContact O-N 3.25Å; A75-I127 HydrophobicContact CB-CB 4.44Å; A75-I127 HydrophobicContact CB-CG2 4.13Å; A75-K128 HydrophobicContact CB-CB 3.77Å; A75-V150 HydrophobicContact CB-CG1 4.42Å; A75-V150 HydrophobicContact CB-CG2 4.03Å
76G87.9Confident86.8Confident0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-64.5-42.217300000113.9G72 L73 A74 Y79 Q80G72-G76 PolarHBondContact O-N 3.43Å; L73-G76 CarbonylContact O-C 3.51Å; L73-G76 WeakPolarHBondContact O-CA 3.25Å; L73-G76 PolarHBondContact O-N 3.15Å; A74-G76 VanDerWaalsContact C-N 3.33Å; G76-Y79 PolarHBondContact O-N 3.45Å; G76-Q80 WeakPolarHBondContact O-CB 3.36Å; G76-Q80 PolarHBondContact O-N 3.48Å
77L90.6Very high86.8Confident56 Ų5644.9 Ų44.929%0.29324%0.238SC..Hα-helixtrans-66.8-43.1175.2-65.9176.8000111.1C18 C21 L73 A74 Y79 Q80 G81C18-L77 HydrophobicContact CB-CD2 3.8Å; C18-L77 WeakPolarHBondContact O-CD2 3.41Å; C21-L77 HydrophobicContact CB-CD2 4.13Å; L73-L77 HydrophobicContact CD1-CD1 4.33Å; L73-L77 HydrophobicContact CD1-CD2 4.35Å; L73-L77 HydrophobicContact CD1-CG 4.08Å; L73-L77 HydrophobicContact CD2-CD1 4.48Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CG-CG 4.23Å; L73-L77 WeakPolarHBondContact O-CG 3.31Å; L73-L77 PolarHBondContact O-N 2.89Å; A74-L77 PolarHBondContact O-N 3.49Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.83Å; L77-Q80 PolarHBondContact O-N 3.36Å; L77-G81 PolarHBondContact O-N 3.02Å
78L90.3Very high86.6Confident88 Ų8836.8 Ų36.846%0.46121%0.209SC..Hα-helixtrans-59.1-46.5174.1-17964000111.2A74 Q80 G81 L82 A124A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 PolarHBondContact O-N 2.93Å; L78-Q80 PolarHBondContact O-N 2.96Å; L78-G81 PolarHBondContact O-N 3.41Å; L78-L82 HydrophobicContact CD1-CD1 4.11Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CG-CD1 3.96Å; L78-L82 HydrophobicContact CG-CG 4.49Å; L78-L82 WeakPolarHBondContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 2.93Å; L78-A124 HydrophobicContact CB-CB 4.33Å; L78-A124 HydrophobicContact CD2-CB 3.98Å; L78-A124 HydrophobicContact CG-CB 4Å
79Y89.3Confident86.8Confident28 Ų2844.2 Ų44.211%0.1124%0.238CC..Hα-helixtrans-57.9-47.6175.2173.4-100.1000111.8A75 G76 L77 G81 L82 M83 G121 Y125A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.49Å; A75-Y79 PolarHBondContact O-N 3.25Å; G76-Y79 PolarHBondContact O-N 3.45Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.83Å; Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 2.96Å; Y79-L82 PolarHBondContact O-N 3.22Å; Y79-M83 HydrophobicContact CE1-CB 4.49Å; Y79-M83 HydrophobicContact CE1-SD 3.68Å; Y79-M83 HydrophobicContact CE2-SD 4.45Å; Y79-M83 VanDerWaalsContact CZ-SD 3.53Å; Y79-M83 WeakPolarHBondContact O-CB 3.46Å; Y79-M83 PolarHBondContact O-N 3.37Å; Y79-M83 PolarHBondContact OH-SD 2.99Å; Y79-G121 WeakPolarHBondContact CD2-O 3.46Å; Y79-Y125 HydrophobicContact CD1-CD2 4.41Å; Y79-Y125 HydrophobicContact CD2-CD2 4.15Å; Y79-Y125 HydrophobicContact CD2-CG 4.38Å; Y79-Y125 HydrophobicContact CE1-CD2 4.27Å; Y79-Y125 AromaticContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CG 4.19Å; Y79-Y125 HydrophobicContact CG-CD2 4.34Å
80Q86.6Confident86.9Confident30 Ų3044.7 Ų44.714%0.1424%0.242CC..Hα-helixtrans-63.3-40-179.3-166.564.917.300111.6C17 G76 L77 L78 N84C17-Q80 HydrophobicContact CB-CG 3.95Å; C17-Q80 VanDerWaalsContact CB-NE2 3.31Å; G76-Q80 WeakPolarHBondContact O-CB 3.36Å; G76-Q80 PolarHBondContact O-N 3.48Å; L77-Q80 PolarHBondContact O-N 3.36Å; L78-Q80 PolarHBondContact O-N 2.96Å; Q80-N84 WeakPolarHBondContact CG-ND2 3.35Å; Q80-N84 PolarHBondContact NE2-ND2 3.41Å; Q80-N84 VanDerWaalsContact O-CB 3.27Å; Q80-N84 WeakPolarHBondContact O-CB 3.42Å; Q80-N84 VanDerWaalsContact O-CG 3.29Å; Q80-N84 PolarHBondContact O-N 3.48Å; Q80-N84 VanDerWaalsContact O-N 3.13Å; Q80-N84 PolarHBondContact O-ND2 3.39Å
81G86.3Confident86.5Confident38 Ų3847.2 Ų47.239%0.39225%0.251SS..Hα-helixtrans-63-52.617500000112.4L77 L78 Y79 G85L77-G81 PolarHBondContact O-N 3.02Å; L78-G81 PolarHBondContact O-N 3.41Å; Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 2.96Å; G81-G85 PolarHBondContact O-N 3.28Å
82L87.9Confident86.3Confident66 Ų6647.1 Ų47.135%0.34626%0.258SS..Hα-helixtrans-61.7-49.2-179.7-70.2173000112L78 Y79 N84 G85 V86 A124L78-L82 HydrophobicContact CD1-CD1 4.11Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CG-CD1 3.96Å; L78-L82 HydrophobicContact CG-CG 4.49Å; L78-L82 WeakPolarHBondContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 2.93Å; Y79-L82 PolarHBondContact O-N 3.22Å; L82-N84 PolarHBondContact O-N 3.16Å; L82-G85 PolarHBondContact O-N 3.4Å; L82-V86 WeakPolarHBondContact O-CG2 2.85Å; L82-V86 PolarHBondContact O-N 3.41Å; L82-A124 HydrophobicContact CD1-CB 4.28Å
83M85.1Confident86.2Confident24 Ų2450.3 Ų50.312%0.11827%0.272CS..Hα-helixtrans-62.1-46.4-177.2-173.1-171.5-174.100111.3Y79 R87 V177Y79-M83 HydrophobicContact CE1-CB 4.49Å; Y79-M83 HydrophobicContact CE1-SD 3.68Å; Y79-M83 HydrophobicContact CE2-SD 4.45Å; Y79-M83 VanDerWaalsContact CZ-SD 3.53Å; Y79-M83 WeakPolarHBondContact O-CB 3.46Å; Y79-M83 PolarHBondContact O-N 3.37Å; Y79-M83 PolarHBondContact OH-SD 2.99Å; M83-R87 WeakPolarHBondContact O-CB 3.27Å; M83-R87 PolarHBondContact O-N 2.85Å; M83-V177 HydrophobicContact CE-CG1 4.09Å; M83-V177 HydrophobicContact CE-CG2 4.09Å
84N84.3Confident85.9Confident3 Ų349.2 Ų49.22%0.01627%0.268CS..Hα-helixtrans-67.2-46.2179.6-74.2-42.8000111.3Q80 L82 V86 R87 F88Q80-N84 WeakPolarHBondContact CG-ND2 3.35Å; Q80-N84 PolarHBondContact NE2-ND2 3.41Å; Q80-N84 VanDerWaalsContact O-CB 3.27Å; Q80-N84 WeakPolarHBondContact O-CB 3.42Å; Q80-N84 VanDerWaalsContact O-CG 3.29Å; Q80-N84 PolarHBondContact O-N 3.48Å; Q80-N84 VanDerWaalsContact O-N 3.13Å; Q80-N84 PolarHBondContact O-ND2 3.39Å; L82-N84 PolarHBondContact O-N 3.16Å; N84-V86 PolarHBondContact O-N 3.09Å; N84-R87 PolarHBondContact O-N 3.38Å; N84-R87 PolarHBondContact OD1-NH2 2.95Å; N84-F88 VanDerWaalsContact C-CD2 3.46Å; N84-F88 HydrophobicContact CB-CD2 4.11Å; N84-F88 HydrophobicContact CB-CE2 3.68Å; N84-F88 HydrophobicContact CB-CZ 4.38Å; N84-F88 WeakPolarHBondContact O-CB 3.49Å; N84-F88 WeakPolarHBondContact O-CD2 3.18Å; N84-F88 WeakPolarHBondContact O-CG 3.37Å; N84-F88 PolarHBondContact O-N 2.8Å
85G84.8Confident85.4Confident41 Ų4148.6 Ų48.642%0.42326%0.26SS..Hα-helixtrans-55-49178.900000112.7G81 L82 F88 Y89G81-G85 PolarHBondContact O-N 3.28Å; L82-G85 PolarHBondContact O-N 3.4Å; G85-F88 PolarHBondContact O-N 2.93Å; G85-Y89 PolarHBondContact O-N 2.81Å
86V87.1Confident85.2Confident32 Ų3256 Ų5619%0.19429%0.294CS..Hα-helixtrans-67.3-46178.9174.80000111.6L82 N84 F88 Y89 C90 L116 V120L82-V86 WeakPolarHBondContact O-CG2 2.85Å; L82-V86 PolarHBondContact O-N 3.41Å; N84-V86 PolarHBondContact O-N 3.09Å; V86-F88 PolarHBondContact O-N 3.27Å; V86-Y89 PolarHBondContact O-N 2.97Å; V86-C90 WeakPolarHBondContact O-CB 3.44Å; V86-C90 PolarHBondContact O-N 3.08Å; V86-C90 PolarHBondContact O-SG 3.06Å; V86-L116 HydrophobicContact CG1-CB 4.05Å; V86-V120 HydrophobicContact CG1-CG2 4.31Å; V86-V120 HydrophobicContact CG2-CB 3.91Å; V86-V120 HydrophobicContact CG2-CG1 3.81Å; V86-V120 HydrophobicContact CG2-CG2 4.02Å
87R83.2Confident85Confident94 Ų9459.3 Ų59.336%0.35532%0.322SS..Hα-helixtrans-55.5-42.6178.7-176.2-178.969-175.7-0.4110.9M83 N84 Y91 A113M83-R87 WeakPolarHBondContact O-CB 3.27Å; M83-R87 PolarHBondContact O-N 2.85Å; N84-R87 PolarHBondContact O-N 3.38Å; N84-R87 PolarHBondContact OD1-NH2 2.95Å; R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.91Å; R87-A113 HydrophobicContact CG-CB 4Å; R87-A113 WeakPolarHBondContact O-CB 3.38Å
88F79.9Confident84.6Confident54 Ų5458 Ų5824%0.23732%0.322CS..Hα-helixtrans-70.1-46-179.9-67.7-40.5000113.3L10 N84 G85 V86 C90 Y91 S92L10-F88 HydrophobicContact CD1-CB 3.78Å; L10-F88 HydrophobicContact CD1-CD1 3.79Å; L10-F88 HydrophobicContact CD1-CD2 3.76Å; L10-F88 HydrophobicContact CD1-CE1 4.28Å; L10-F88 HydrophobicContact CD1-CE2 4.22Å; L10-F88 HydrophobicContact CD1-CG 3.51Å; L10-F88 HydrophobicContact CD1-CZ 4.47Å; L10-F88 HydrophobicContact CD2-CB 4.26Å; L10-F88 HydrophobicContact CD2-CD2 3.25Å; L10-F88 HydrophobicContact CD2-CE2 3.64Å; L10-F88 HydrophobicContact CD2-CG 3.89Å; L10-F88 HydrophobicContact CG-CB 4.39Å; L10-F88 HydrophobicContact CG-CD1 4.18Å; L10-F88 HydrophobicContact CG-CD2 3.44Å; L10-F88 VanDerWaalsContact CG-CD2 3.44Å; L10-F88 HydrophobicContact CG-CE1 4.3Å; L10-F88 HydrophobicContact CG-CE2 3.55Å; L10-F88 HydrophobicContact CG-CG 3.77Å; L10-F88 HydrophobicContact CG-CZ 4Å; N84-F88 VanDerWaalsContact C-CD2 3.46Å; N84-F88 HydrophobicContact CB-CD2 4.11Å; N84-F88 HydrophobicContact CB-CE2 3.68Å; N84-F88 HydrophobicContact CB-CZ 4.38Å; N84-F88 WeakPolarHBondContact O-CB 3.49Å; N84-F88 WeakPolarHBondContact O-CD2 3.18Å; N84-F88 WeakPolarHBondContact O-CG 3.37Å; N84-F88 PolarHBondContact O-N 2.8Å; G85-F88 PolarHBondContact O-N 2.93Å; V86-F88 PolarHBondContact O-N 3.27Å; F88-C90 VanDerWaalsContact C-N 3.34Å; F88-C90 PolarHBondContact O-N 3.49Å; F88-Y91 PolarHBondContact O-N 3.48Å; F88-S92 WeakPolarHBondContact O-CB 3.18Å; F88-S92 PolarHBondContact O-N 2.87Å
89Y85.3Confident84Confident158 Ų15857.7 Ų57.762%0.6232%0.32SS*.Hα-helixtrans-58-48.2176.3-179.2-106000111.1G85 V86 Y91 S92 L93G85-Y89 PolarHBondContact O-N 2.81Å; V86-Y89 PolarHBondContact O-N 2.97Å; Y89-Y91 PolarHBondContact O-N 3.33Å; Y89-S92 PolarHBondContact O-N 3.29Å; Y89-L93 HydrophobicContact CD1-CD1 3.99Å; Y89-L93 HydrophobicContact CE1-CD1 3.48Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.48Å; Y89-L93 HydrophobicContact CE1-CG 4.37Å; Y89-L93 WeakPolarHBondContact O-CG 3.3Å; Y89-L93 PolarHBondContact O-N 2.99Å
90C85.6Confident83.3Confident24 Ų2457.5 Ų57.516%0.16232%0.322CS..Hα-helixtrans-64.1-39.9177.6-66.80000112.8V86 F88 L93 A94 A113 L116V86-C90 WeakPolarHBondContact O-CB 3.44Å; V86-C90 PolarHBondContact O-N 3.08Å; V86-C90 PolarHBondContact O-SG 3.06Å; F88-C90 VanDerWaalsContact C-N 3.34Å; F88-C90 PolarHBondContact O-N 3.49Å; C90-L93 PolarHBondContact O-N 3.24Å; C90-A94 PolarHBondContact O-N 3.38Å; C90-A113 HydrophobicContact CB-CB 3.68Å; C90-L116 HydrophobicContact CB-CD1 4.49Å; C90-L116 VanDerWaalsContact SG-CD1 3.57Å
91Y80.7Confident82.9Confident90 Ų9064 Ų6435%0.35335%0.352SS..Hα-helixtrans-66.5-39.9177.1-172.1-94.6000112R87 F88 Y89 A94 C95 T100 T106 A109R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.91Å; F88-Y91 PolarHBondContact O-N 3.48Å; Y89-Y91 PolarHBondContact O-N 3.33Å; Y91-A94 PolarHBondContact O-N 3.13Å; Y91-C95 VanDerWaalsContact CE1-SG 3.56Å; Y91-C95 PolarHBondContact O-N 3.31Å; Y91-C95 PolarHBondContact O-SG 3.27Å; Y91-T100 HydrophobicContact CE2-CG2 4.43Å; Y91-T106 HydrophobicContact CE2-CG2 4.25Å; Y91-A109 HydrophobicContact CD2-CB 4.33Å; Y91-A109 HydrophobicContact CE2-CB 4.44Å
92S82.1Confident82.6Confident59 Ų5968.2 Ų68.241%0.41336%0.362SS..Hα-helixtrans-61.4-44.6175.4-171.80000111.7F88 Y89 A94 C95 Q96F88-S92 WeakPolarHBondContact O-CB 3.18Å; F88-S92 PolarHBondContact O-N 2.87Å; Y89-S92 PolarHBondContact O-N 3.29Å; S92-A94 VanDerWaalsContact C-N 3.33Å; S92-A94 PolarHBondContact O-N 3.47Å; S92-C95 WeakPolarHBondContact O-CB 3.46Å; S92-C95 PolarHBondContact O-N 2.87Å; S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.14Å
93L85.3Confident82.1Confident75 Ų7571.6 Ų71.639%0.39339%0.388SS..Hα-helixtrans-60.8-41.3174.1-71176.4000112.1Y89 C90 C95 Q96 A97Y89-L93 HydrophobicContact CD1-CD1 3.99Å; Y89-L93 HydrophobicContact CE1-CD1 3.48Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.48Å; Y89-L93 HydrophobicContact CE1-CG 4.37Å; Y89-L93 WeakPolarHBondContact O-CG 3.3Å; Y89-L93 PolarHBondContact O-N 2.99Å; C90-L93 PolarHBondContact O-N 3.24Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.9Å; L93-Q96 PolarHBondContact O-N 3.46Å; L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 2.67Å
94A83.3Confident81.6Confident11 Ų1172.5 Ų72.59%0.09140%0.404CS..Hα-helixtrans-64.5-37.4177.200000112.4C90 Y91 S92 G98 L99 A109C90-A94 PolarHBondContact O-N 3.38Å; Y91-A94 PolarHBondContact O-N 3.13Å; S92-A94 VanDerWaalsContact C-N 3.33Å; S92-A94 PolarHBondContact O-N 3.47Å; A94-G98 PolarHBondContact O-N 3.44Å; A94-L99 HydrophobicContact CB-CB 4.48Å; A94-L99 HydrophobicContact CB-CD1 4.36Å; A94-L99 WeakPolarHBondContact O-CB 3.47Å; A94-L99 PolarHBondContact O-N 3.43Å; A94-L99 VanDerWaalsContact O-N 3.11Å; A94-A109 HydrophobicContact CB-CB 3.54Å
95C79.4Confident81.4Confident50 Ų5072.7 Ų72.734%0.33841%0.406SS..Hα-helixtrans-64.2-45.9172-740000112Y91 S92 L93 A97 G98 T100Y91-C95 VanDerWaalsContact CE1-SG 3.56Å; Y91-C95 PolarHBondContact O-N 3.31Å; Y91-C95 PolarHBondContact O-SG 3.27Å; S92-C95 WeakPolarHBondContact O-CB 3.46Å; S92-C95 PolarHBondContact O-N 2.87Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.9Å; C95-A97 VanDerWaalsContact C-N 3.27Å; C95-A97 PolarHBondContact O-N 3.48Å; C95-G98 PolarHBondContact O-N 3.28Å; C95-T100 VanDerWaalsContact SG-CG2 3.58Å
96Q84.3Confident81.1Confident154 Ų15473.9 Ų73.972%0.7241%0.405SS*.Hα-helixtrans-63.4-34.3178.5-72.3177.9-3.300112.4S92 L93 G98S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.14Å; L93-Q96 PolarHBondContact O-N 3.46Å; Q96-G98 PolarHBondContact O-N 2.92Å
97A83.6Confident80.7Confident71 Ų7175.5 Ų75.559%0.58742%0.415SS*.THydrogen-bonded Turntrans-76.2-117500000113.9L93 C95 L99L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 2.67Å; C95-A97 VanDerWaalsContact C-N 3.27Å; C95-A97 PolarHBondContact O-N 3.48Å; A97-L99 HydrophobicContact CB-CD1 4Å; A97-L99 HydrophobicContact CB-CG 4.48Å; A97-L99 PolarHBondContact O-N 2.98Å
98G81.4Confident80.6Confident29 Ų2975.2 Ų75.230%0.29942%0.424SS..THydrogen-bonded Turntrans72.37.2179.900000114.8A94 C95 Q96 T100 Q101A94-G98 PolarHBondContact O-N 3.44Å; C95-G98 PolarHBondContact O-N 3.28Å; Q96-G98 PolarHBondContact O-N 2.92Å; G98-T100 VanDerWaalsContact C-N 3.26Å; G98-T100 PolarHBondContact O-N 3.06Å; G98-Q101 WeakPolarHBondContact O-CB 3.47Å; G98-Q101 PolarHBondContact O-N 3.15Å; G98-Q101 VanDerWaalsContact O-N 3.17Å
99L78.8Confident80.8Confident80 Ų8073 Ų7342%0.41942%0.415SS..G310 helixtrans-61.3-36179.9-80.7149.6000111.5A94 A97 Q101 Q102 G105A94-L99 HydrophobicContact CB-CB 4.48Å; A94-L99 HydrophobicContact CB-CD1 4.36Å; A94-L99 WeakPolarHBondContact O-CB 3.47Å; A94-L99 PolarHBondContact O-N 3.43Å; A94-L99 VanDerWaalsContact O-N 3.11Å; A97-L99 HydrophobicContact CB-CD1 4Å; A97-L99 HydrophobicContact CB-CG 4.48Å; A97-L99 PolarHBondContact O-N 2.98Å; L99-Q101 PolarHBondContact O-N 3.12Å; L99-Q102 PolarHBondContact O-N 2.93Å; L99-G105 WeakPolarHBondContact O-CA 3.17Å
100T74.4Confident80.5Confident24 Ų2466.5 Ų66.515%0.14740%0.397CS..G310 helixtrans-69.1-14.3-179.754.60000114.3Y91 C95 G98 T106 A109Y91-T100 HydrophobicContact CE2-CG2 4.43Å; C95-T100 VanDerWaalsContact SG-CG2 3.58Å; G98-T100 VanDerWaalsContact C-N 3.26Å; G98-T100 PolarHBondContact O-N 3.06Å; T100-T106 PolarHBondContact O-OG1 3.35Å; T100-A109 HydrophobicContact CG2-CB 4.23Å
101Q77.6Confident80.4Confident166 Ų16666.6 Ų66.678%0.77640%0.399SS*.G310 helixtrans-82-14.7177.9-61-63.9-20.500112.9G98 L99G98-Q101 WeakPolarHBondContact O-CB 3.47Å; G98-Q101 PolarHBondContact O-N 3.15Å; G98-Q101 VanDerWaalsContact O-N 3.17Å; L99-Q101 PolarHBondContact O-N 3.12Å
102Q80.3Confident80.6Confident127 Ų12766 Ų6659%0.59340%0.404SS*.SBendtrans-83.1149.1177-64.8-172-4.700111.5L99 G104 G105L99-Q102 PolarHBondContact O-N 2.93Å; Q102-G104 PolarHBondContact O-N 3.28Å; Q102-G104 VanDerWaalsContact O-N 3.11Å; Q102-G105 PolarHBondContact O-N 3.08Å
103P77.1Confident80.8Confident137 Ų13763.2 Ų63.289%0.8939%0.385SS*.THydrogen-bonded Turntrans-59.1118.2175.423.2-32000110.5G105P103-G105 VanDerWaalsContact C-N 3.28Å; P103-G105 PolarHBondContact O-N 3.43Å
104G76.1Confident80.7Confident44 Ų4459.7 Ų59.745%0.45437%0.367SS..THydrogen-bonded Turntrans83.2-5.2-175.600000115Q102 T106 V107 V108Q102-G104 PolarHBondContact O-N 3.28Å; Q102-G104 VanDerWaalsContact O-N 3.11Å; G104-T106 VanDerWaalsContact C-N 3.31Å; G104-T106 PolarHBondContact O-N 3.38Å; G104-V107 WeakPolarHBondContact O-CA 3.28Å; G104-V107 VanDerWaalsContact O-CB 3.3Å; G104-V107 WeakPolarHBondContact O-CB 3.42Å; G104-V107 PolarHBondContact O-N 3.26Å; G104-V108 PolarHBondContact O-N 3.28Å; G104-V108 VanDerWaalsContact O-N 3.11Å
105G79.1Confident80.9Confident7 Ų760.2 Ų60.27%0.07237%0.371CS..Hα-helixtrans-61.4-34.8-179.200000114.1L99 Q102 P103 V107 V108 A109L99-G105 WeakPolarHBondContact O-CA 3.17Å; Q102-G105 PolarHBondContact O-N 3.08Å; P103-G105 VanDerWaalsContact C-N 3.28Å; P103-G105 PolarHBondContact O-N 3.43Å; G105-V107 VanDerWaalsContact C-N 3.3Å; G105-V107 PolarHBondContact O-N 3.4Å; G105-V108 PolarHBondContact O-N 3.02Å; G105-A109 WeakPolarHBondContact O-CB 3.28Å; G105-A109 PolarHBondContact O-N 3.33Å
106T77.7Confident81.3Confident65 Ų6561.6 Ų61.640%0.39938%0.375SS..Hα-helixtrans-62.8-35.4172.1-49.80000112.6Y91 T100 G104 G110Y91-T106 HydrophobicContact CE2-CG2 4.25Å; T100-T106 PolarHBondContact O-OG1 3.35Å; G104-T106 VanDerWaalsContact C-N 3.31Å; G104-T106 PolarHBondContact O-N 3.38Å; T106-G110 PolarHBondContact O-N 3.45Å
107V78.9Confident81.5Confident67 Ų6754.2 Ų54.241%0.40634%0.341SS..Hα-helixtrans-69.1-47.4177.7-175.90000109.7G104 G105 G110 A111 L185G104-V107 WeakPolarHBondContact O-CA 3.28Å; G104-V107 VanDerWaalsContact O-CB 3.3Å; G104-V107 WeakPolarHBondContact O-CB 3.42Å; G104-V107 PolarHBondContact O-N 3.26Å; G105-V107 VanDerWaalsContact C-N 3.3Å; G105-V107 PolarHBondContact O-N 3.4Å; V107-G110 PolarHBondContact O-N 3.4Å; V107-A111 WeakPolarHBondContact O-CB 3.3Å; V107-A111 PolarHBondContact O-N 2.94Å; V107-L185 HydrophobicContact CB-CD1 4.3Å; V107-L185 HydrophobicContact CG1-CD1 3.93Å; V107-L185 HydrophobicContact CG2-CD1 4.13Å
108V82.1Confident81.6Confident87 Ų8751 Ų5153%0.52731%0.313SS..Hα-helixtrans-63.5-47178.4177.60000110.7G104 G105 G110 A111 V112G104-V108 PolarHBondContact O-N 3.28Å; G104-V108 VanDerWaalsContact O-N 3.11Å; G105-V108 PolarHBondContact O-N 3.02Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 2.56Å; V108-A111 PolarHBondContact O-N 2.94Å; V108-V112 HydrophobicContact CG1-CG2 4.3Å; V108-V112 WeakPolarHBondContact O-CB 3.17Å; V108-V112 WeakPolarHBondContact O-CG2 3.36Å; V108-V112 PolarHBondContact O-N 2.92Å
109A83Confident82Confident8 Ų854.2 Ų54.27%0.06632%0.32CS..Hα-helixtrans-58.2-45.8176.300000111.6Y91 A94 T100 G105 A113Y91-A109 HydrophobicContact CD2-CB 4.33Å; Y91-A109 HydrophobicContact CE2-CB 4.44Å; A94-A109 HydrophobicContact CB-CB 3.54Å; T100-A109 HydrophobicContact CG2-CB 4.23Å; G105-A109 WeakPolarHBondContact O-CB 3.28Å; G105-A109 PolarHBondContact O-N 3.33Å; A109-A113 WeakPolarHBondContact O-CB 3.33Å; A109-A113 PolarHBondContact O-N 3.4Å
110G80.5Confident82.6Confident22 Ų2253.3 Ų53.323%0.22732%0.317CS..Hα-helixtrans-63.4-41.9176.100000113T106 V107 V108 G114T106-G110 PolarHBondContact O-N 3.45Å; V107-G110 PolarHBondContact O-N 3.4Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 2.56Å; G110-G114 PolarHBondContact O-N 2.89Å
111A82.3Confident83.2Confident25 Ų2552.1 Ų52.121%0.20731%0.31CS..Hα-helixtrans-66.4-45.7178.600000112.1V107 V108 G114 A115V107-A111 WeakPolarHBondContact O-CB 3.3Å; V107-A111 PolarHBondContact O-N 2.94Å; V108-A111 PolarHBondContact O-N 2.94Å; A111-G114 PolarHBondContact O-N 2.82Å; A111-A115 WeakPolarHBondContact O-CB 3.46Å; A111-A115 PolarHBondContact O-N 3.41Å
112V85.1Confident83.8Confident77 Ų7744.2 Ų44.247%0.46727%0.273SS..Hα-helixtrans-64.8-46.2177.21730000110.7V108 G114 A115 L116V108-V112 HydrophobicContact CG1-CG2 4.3Å; V108-V112 WeakPolarHBondContact O-CB 3.17Å; V108-V112 WeakPolarHBondContact O-CG2 3.36Å; V108-V112 PolarHBondContact O-N 2.92Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 3.48Å; V112-A115 PolarHBondContact O-N 3.3Å; V112-L116 HydrophobicContact CG1-CD1 4Å; V112-L116 HydrophobicContact CG1-CG 4.49Å; V112-L116 WeakPolarHBondContact O-CG 3.05Å; V112-L116 PolarHBondContact O-N 3.17Å
113A85.8Confident84.2Confident1 Ų139.2 Ų39.21%0.00825%0.251CS..Hα-helixtrans-60.9-39.6176.300000112.1R87 C90 A109 G117R87-A113 HydrophobicContact CG-CB 4Å; R87-A113 WeakPolarHBondContact O-CB 3.38Å; C90-A113 HydrophobicContact CB-CB 3.68Å; A109-A113 WeakPolarHBondContact O-CB 3.33Å; A109-A113 PolarHBondContact O-N 3.4Å; A113-G117 PolarHBondContact O-N 3.31Å
114G83.6Confident84.8Confident2 Ų232.8 Ų32.82%0.02121%0.21CC..Hα-helixtrans-66.3-42.9174.700000113G110 A111 V112 G117 A118G110-G114 PolarHBondContact O-N 2.89Å; A111-G114 PolarHBondContact O-N 2.82Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 3.48Å; G114-G117 PolarHBondContact O-N 3.02Å; G114-A118 WeakPolarHBondContact O-CB 3.18Å; G114-A118 PolarHBondContact O-N 3.46Å
115A86.9Confident85.4Confident21 Ų2131.5 Ų31.517%0.17419%0.191CC..Hα-helixtrans-64.1-45.4177.600000111.9A111 V112 A118 F119 V174A111-A115 WeakPolarHBondContact O-CB 3.46Å; A111-A115 PolarHBondContact O-N 3.41Å; V112-A115 PolarHBondContact O-N 3.3Å; A115-A118 PolarHBondContact O-N 2.97Å; A115-F119 WeakPolarHBondContact O-CB 3.4Å; A115-F119 PolarHBondContact O-N 3.14Å; A115-V174 HydrophobicContact CB-CG1 3.84Å
116L88.9Confident85.9Confident79 Ų7931.1 Ų31.141%0.41419%0.188SC..Hα-helixtrans-64.6-41.2175-69.8173000111.6V86 C90 V112 A118 F119 V120V86-L116 HydrophobicContact CG1-CB 4.05Å; C90-L116 HydrophobicContact CB-CD1 4.49Å; C90-L116 VanDerWaalsContact SG-CD1 3.57Å; V112-L116 HydrophobicContact CG1-CD1 4Å; V112-L116 HydrophobicContact CG1-CG 4.49Å; V112-L116 WeakPolarHBondContact O-CG 3.05Å; V112-L116 PolarHBondContact O-N 3.17Å; L116-A118 PolarHBondContact O-N 3.49Å; L116-F119 PolarHBondContact O-N 2.87Å; L116-V120 WeakPolarHBondContact O-CG2 3.35Å; L116-V120 PolarHBondContact O-N 3.07Å
117G88.2Confident86.4Confident0 Ų028.2 Ų28.20%017%0.17CC..Hα-helixtrans-61.8-41.2174.300000112.9A113 G114 G121A113-G117 PolarHBondContact O-N 3.31Å; G114-G117 PolarHBondContact O-N 3.02Å; G117-G121 PolarHBondContact O-N 2.64Å
118A86.5Confident87Confident2 Ų225.5 Ų25.52%0.01715%0.152CC..Hα-helixtrans-66-38.4174.800000111.9G114 A115 L116 S122 V174 V177G114-A118 WeakPolarHBondContact O-CB 3.18Å; G114-A118 PolarHBondContact O-N 3.46Å; A115-A118 PolarHBondContact O-N 2.97Å; L116-A118 PolarHBondContact O-N 3.49Å; A118-S122 WeakPolarHBondContact O-CA 3.36Å; A118-S122 WeakPolarHBondContact O-CB 3.39Å; A118-S122 PolarHBondContact O-N 2.9Å; A118-V174 HydrophobicContact CB-CG2 4.38Å; A118-V177 HydrophobicContact CB-CB 4.47Å; A118-V177 HydrophobicContact CB-CG2 3.97Å
119F89.9Confident87.2Confident98 Ų9821.3 Ų21.343%0.4313%0.127SC..Hα-helixtrans-64.1-50.8176.3-177.2-94000111.5A115 L116 G121 S122 W167 V170A115-F119 WeakPolarHBondContact O-CB 3.4Å; A115-F119 PolarHBondContact O-N 3.14Å; L116-F119 PolarHBondContact O-N 2.87Å; F119-G121 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.17Å; F119-S122 VanDerWaalsContact O-CB 3.31Å; F119-S122 WeakPolarHBondContact O-CB 3.21Å; F119-S122 PolarHBondContact O-N 2.85Å; F119-W167 AromaticContact CD1-NE1 3.77Å; F119-W167 AromaticContact CD2-CD1 3.76Å; F119-W167 AromaticContact CD2-NE1 3.89Å; F119-W167 AromaticContact CE1-NE1 3.55Å; F119-W167 AromaticContact CE2-CD1 3.46Å; F119-W167 VanDerWaalsContact CE2-CD1 3.46Å; F119-W167 HydrophobicContact CE2-CG 4.33Å; F119-W167 AromaticContact CE2-NE1 3.67Å; F119-W167 AromaticContact CG-NE1 3.92Å; F119-W167 AromaticContact CZ-CD1 3.71Å; F119-W167 HydrophobicContact CZ-CG 4.43Å; F119-W167 AromaticContact CZ-NE1 3.49Å; F119-W167 PolarHBondContact O-NE1 3.36Å; F119-V170 HydrophobicContact CD2-CG2 3.82Å
120V90Very high87.4Confident60 Ų6021 Ų2136%0.36412%0.124SC..Hα-helixtrans-67.3-36.4178.8176.10000111.5V86 L116 S122 P123V86-V120 HydrophobicContact CG1-CG2 4.31Å; V86-V120 HydrophobicContact CG2-CB 3.91Å; V86-V120 HydrophobicContact CG2-CG1 3.81Å; V86-V120 HydrophobicContact CG2-CG2 4.02Å; L116-V120 WeakPolarHBondContact O-CG2 3.35Å; L116-V120 PolarHBondContact O-N 3.07Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 2.84Å; V120-P123 WeakPolarHBondContact O-CD 3.5Å
121G87.8Confident87.7Confident0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-76.4-11.3176.700000114.6Y79 G117 F119 P123 A124 Y125Y79-G121 WeakPolarHBondContact CD2-O 3.46Å; G117-G121 PolarHBondContact O-N 2.64Å; F119-G121 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.17Å; G121-P123 VanDerWaalsContact C-CD 3.48Å; G121-A124 PolarHBondContact O-N 2.95Å; G121-A124 VanDerWaalsContact O-N 3.1Å; G121-Y125 PolarHBondContact O-N 2.73Å
122S89.6Confident87.8Confident0 Ų019.5 Ų19.50%011%0.107CC..Hα-helixtrans-53.4-43.7-173.1-174.80000113.9A118 F119 V120 A124 Y125 L126 Y235A118-S122 WeakPolarHBondContact O-CA 3.36Å; A118-S122 WeakPolarHBondContact O-CB 3.39Å; A118-S122 PolarHBondContact O-N 2.9Å; F119-S122 VanDerWaalsContact O-CB 3.31Å; F119-S122 WeakPolarHBondContact O-CB 3.21Å; F119-S122 PolarHBondContact O-N 2.85Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 2.84Å; S122-A124 PolarHBondContact O-N 2.79Å; S122-Y125 PolarHBondContact O-N 3.03Å; S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.95Å; S122-Y235 PolarHBondContact OG-OH 3.24Å
123P89.4Confident87.8Confident21 Ų2115.9 Ų15.914%0.1369%0.086CC..Hα-helixtrans-61-42.2178.3-25.336.3000113.2V120 G121 Y125 L126 I127 L166 W167V120-P123 WeakPolarHBondContact O-CD 3.5Å; G121-P123 VanDerWaalsContact C-CD 3.48Å; P123-Y125 VanDerWaalsContact C-N 3.33Å; P123-L126 PolarHBondContact O-N 3.4Å; P123-I127 WeakPolarHBondContact O-CG1 3.39Å; P123-I127 PolarHBondContact O-N 3.19Å; P123-I127 VanDerWaalsContact O-N 3.12Å; P123-L166 WeakPolarHBondContact CA-O 3.5Å; P123-L166 HydrophobicContact CB-CB 4Å; P123-L166 HydrophobicContact CB-CD2 4.44Å; P123-L166 HydrophobicContact CG-CB 3.98Å; P123-W167 HydrophobicContact CG-CD2 4.36Å; P123-W167 HydrophobicContact CG-CE3 4.45Å; P123-W167 HydrophobicContact CG-CH2 4.04Å; P123-W167 HydrophobicContact CG-CZ2 3.92Å; P123-W167 HydrophobicContact CG-CZ3 4.3Å
124A90.4Very high87.5Confident2 Ų217 Ų172%0.0179%0.091CC..Hα-helixtrans-68-36.8177.400000111.3L78 L82 G121 S122 K128L78-A124 HydrophobicContact CB-CB 4.33Å; L78-A124 HydrophobicContact CD2-CB 3.98Å; L78-A124 HydrophobicContact CG-CB 4Å; L82-A124 HydrophobicContact CD1-CB 4.28Å; G121-A124 PolarHBondContact O-N 2.95Å; G121-A124 VanDerWaalsContact O-N 3.1Å; S122-A124 PolarHBondContact O-N 2.79Å; A124-K128 VanDerWaalsContact O-CB 3.25Å; A124-K128 WeakPolarHBondContact O-CB 3.39Å; A124-K128 PolarHBondContact O-N 3.48Å
125Y88.3Confident87Confident17 Ų1717.8 Ų17.87%0.06710%0.095CC..Hα-helixtrans-67.6-42.4175.8-165.7-99.8000112.3Y79 G121 S122 P123 K128 T129 R176 Y235Y79-Y125 HydrophobicContact CD1-CD2 4.41Å; Y79-Y125 HydrophobicContact CD2-CD2 4.15Å; Y79-Y125 HydrophobicContact CD2-CG 4.38Å; Y79-Y125 HydrophobicContact CE1-CD2 4.27Å; Y79-Y125 AromaticContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CG 4.19Å; Y79-Y125 HydrophobicContact CG-CD2 4.34Å; G121-Y125 PolarHBondContact O-N 2.73Å; S122-Y125 PolarHBondContact O-N 3.03Å; P123-Y125 VanDerWaalsContact C-N 3.33Å; Y125-K128 HydrophobicContact CD2-CD 4.37Å; Y125-K128 HydrophobicContact CE2-CD 4.46Å; Y125-K128 WeakPolarHBondContact O-CB 3.46Å; Y125-K128 PolarHBondContact O-N 3.44Å; Y125-T129 HydrophobicContact CD1-CG2 3.91Å; Y125-T129 HydrophobicContact CE1-CG2 3.46Å; Y125-T129 VanDerWaalsContact CE1-CG2 3.46Å; Y125-T129 HydrophobicContact CE2-CG2 4.38Å; Y125-T129 WeakPolarHBondContact O-CG2 3.43Å; Y125-T129 PolarHBondContact O-N 3.35Å; Y125-T129 PolarHBondContact O-OG1 3.41Å; Y125-R176 VanDerWaalsContact CZ-NH1 3.34Å; Y125-R176 PolarHBondContact OH-NH1 2.95Å; Y125-Y235 HydrophobicContact CD1-CD1 4.41Å; Y125-Y235 AromaticContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CE1 4.16Å; Y125-Y235 AromaticContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CG 4.16Å; Y125-Y235 AromaticContact CD1-CZ 3.64Å; Y125-Y235 AromaticContact CE1-CD2 3.57Å; Y125-Y235 HydrophobicContact CE1-CD2 3.57Å; Y125-Y235 AromaticContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CG 4.39Å
126L89.6Confident86.2Confident0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-54.9-56.3173.7174.469.1000110.4S122 P123 K128 T129 Q130 I157 G165 Q168 Y235S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.95Å; P123-L126 PolarHBondContact O-N 3.4Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.2Å; L126-T129 PolarHBondContact O-N 2.83Å; L126-T129 VanDerWaalsContact O-N 3.14Å; L126-T129 PolarHBondContact O-OG1 3.19Å; L126-Q130 HydrophobicContact CD1-CG 4.46Å; L126-Q130 WeakPolarHBondContact O-CG 3.2Å; L126-Q130 PolarHBondContact O-N 2.98Å; L126-I157 HydrophobicContact CD2-CD1 4Å; L126-I157 HydrophobicContact CD2-CG2 4.5Å; L126-I157 HydrophobicContact CG-CD1 4.41Å; L126-G165 WeakPolarHBondContact CD2-O 3.31Å; L126-Q168 HydrophobicContact CD1-CB 4.47Å; L126-Y235 HydrophobicContact CB-CD1 3.65Å; L126-Y235 HydrophobicContact CB-CE1 3.88Å; L126-Y235 HydrophobicContact CD1-CD1 3.59Å; L126-Y235 HydrophobicContact CD1-CE1 4.46Å; L126-Y235 HydrophobicContact CD1-CG 4.41Å; L126-Y235 WeakPolarHBondContact CD1-O 3.41Å; L126-Y235 HydrophobicContact CG-CD1 4.21Å
127I88.6Confident85.1Confident4 Ų421.1 Ų21.12%0.02113%0.126CC..Hα-helixtrans-60.3-42-179.4-64.8162000110.9A75 P123 Q130 L131 V150 A153 L154 I157A75-I127 HydrophobicContact CB-CB 4.44Å; A75-I127 HydrophobicContact CB-CG2 4.13Å; P123-I127 WeakPolarHBondContact O-CG1 3.39Å; P123-I127 PolarHBondContact O-N 3.19Å; P123-I127 VanDerWaalsContact O-N 3.12Å; I127-Q130 PolarHBondContact O-N 3.47Å; I127-L131 HydrophobicContact CG2-CD1 3.71Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.21Å; I127-L131 VanDerWaalsContact O-CG 3.27Å; I127-L131 WeakPolarHBondContact O-CG 3.16Å; I127-L131 PolarHBondContact O-N 3.35Å; I127-V150 HydrophobicContact CD1-CG1 4.34Å; I127-V150 HydrophobicContact CG2-CB 4.3Å; I127-V150 HydrophobicContact CG2-CG1 3.96Å; I127-V150 HydrophobicContact CG2-CG2 4.38Å; I127-A153 HydrophobicContact CG1-CB 4.14Å; I127-A153 HydrophobicContact CG2-CB 3.74Å; I127-L154 HydrophobicContact CD1-CB 3.97Å; I127-L154 HydrophobicContact CD1-CD1 4.14Å; I127-I157 HydrophobicContact CG1-CD1 4.22Å
128K89.9Confident83.7Confident9 Ų925.6 Ų25.64%0.03916%0.163CC..Hα-helixtrans-56.1-52.7174.6178.2-170.7-175.51690111.2E28 A75 A124 Y125 L126 Q130 L131 Q132E28-K128 IonicContact OE1-NZ 2.77Å; E28-K128 WeakPolarHBondContact OE2-CE 3.28Å; E28-K128 IonicContact OE2-NZ 3.79Å; E28-K128 PolarHBondContact OE2-NZ 3.18Å; A75-K128 HydrophobicContact CB-CB 3.77Å; A124-K128 VanDerWaalsContact O-CB 3.25Å; A124-K128 WeakPolarHBondContact O-CB 3.39Å; A124-K128 PolarHBondContact O-N 3.48Å; Y125-K128 HydrophobicContact CD2-CD 4.37Å; Y125-K128 HydrophobicContact CE2-CD 4.46Å; Y125-K128 WeakPolarHBondContact O-CB 3.46Å; Y125-K128 PolarHBondContact O-N 3.44Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.2Å; K128-Q130 PolarHBondContact O-N 3.05Å; K128-L131 PolarHBondContact O-N 3.15Å; K128-Q132 HydrophobicContact CG-CG 4.33Å; K128-Q132 WeakPolarHBondContact O-CB 3.41Å; K128-Q132 WeakPolarHBondContact O-CG 3.22Å; K128-Q132 PolarHBondContact O-N 3.28Å
129T86.5Confident82.7Confident0 Ų026.9 Ų26.90%017%0.169CC..Hα-helixtrans-61.7-42.6-177.254.10000112.4Y125 L126 Q132 A133 Y235Y125-T129 HydrophobicContact CD1-CG2 3.91Å; Y125-T129 HydrophobicContact CE1-CG2 3.46Å; Y125-T129 VanDerWaalsContact CE1-CG2 3.46Å; Y125-T129 HydrophobicContact CE2-CG2 4.38Å; Y125-T129 WeakPolarHBondContact O-CG2 3.43Å; Y125-T129 PolarHBondContact O-N 3.35Å; Y125-T129 PolarHBondContact O-OG1 3.41Å; L126-T129 PolarHBondContact O-N 2.83Å; L126-T129 VanDerWaalsContact O-N 3.14Å; L126-T129 PolarHBondContact O-OG1 3.19Å; T129-Q132 PolarHBondContact O-N 3.15Å; T129-A133 WeakPolarHBondContact O-CB 3.47Å; T129-A133 PolarHBondContact O-N 2.95Å; T129-Y235 WeakPolarHBondContact OG1-CB 3.18Å
130Q88.3Confident81.6Confident1 Ų124.1 Ų24.11%0.00517%0.165CC..Hα-helixtrans-64.4-45.1177.5-68-178.8-7.900111.9L126 I127 K128 Q132 A133 Q134 H145L126-Q130 HydrophobicContact CD1-CG 4.46Å; L126-Q130 WeakPolarHBondContact O-CG 3.2Å; L126-Q130 PolarHBondContact O-N 2.98Å; I127-Q130 PolarHBondContact O-N 3.47Å; K128-Q130 PolarHBondContact O-N 3.05Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 3.31Å; Q130-A133 PolarHBondContact O-N 3.42Å; Q130-Q134 WeakPolarHBondContact O-CG 3.13Å; Q130-Q134 PolarHBondContact O-N 3.5Å; Q130-H145 HydrophobicContact CB-CB 4.37Å
131L85.7Confident80.5Confident13 Ų1321.9 Ų21.97%0.06815%0.151CC..Hα-helixtrans-65.2-34.5176.7-69.8174.3000112.6I127 K128 Q134 H147 V150I127-L131 HydrophobicContact CG2-CD1 3.71Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.21Å; I127-L131 VanDerWaalsContact O-CG 3.27Å; I127-L131 WeakPolarHBondContact O-CG 3.16Å; I127-L131 PolarHBondContact O-N 3.35Å; K128-L131 PolarHBondContact O-N 3.15Å; L131-Q134 PolarHBondContact O-N 2.89Å; L131-H147 HydrophobicContact CD2-CB 4.21Å; L131-H147 WeakPolarHBondContact CD2-O 3.3Å; L131-V150 HydrophobicContact CD1-CG2 3.92Å
132Q85.6Confident79.4Confident2 Ų223.3 Ų23.31%0.00917%0.166CC..Hα-helixtrans-73.7-30.8177.7-71.9-174.5-2300112.7N25 V29 T32 R33 K71 K128 T129 Q130 Q134N25-Q132 PolarHBondContact OD1-NE2 3.45Å; V29-Q132 HydrophobicContact CG2-CB 4.41Å; V29-Q132 HydrophobicContact CG2-CG 3.95Å; T32-Q132 HydrophobicContact CG2-CB 3.97Å; T32-Q132 PolarHBondContact OG1-OE1 3.35Å; T32-Q132 VanDerWaalsContact OG1-OE1 3.04Å; R33-Q132 PolarHBondContact NE-O 2.91Å; R33-Q132 VanDerWaalsContact NE-O 3.09Å; K71-Q132 WeakPolarHBondContact O-CG 3.35Å; K128-Q132 HydrophobicContact CG-CG 4.33Å; K128-Q132 WeakPolarHBondContact O-CB 3.41Å; K128-Q132 WeakPolarHBondContact O-CG 3.22Å; K128-Q132 PolarHBondContact O-N 3.28Å; T129-Q132 PolarHBondContact O-N 3.15Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 3.31Å; Q132-Q134 VanDerWaalsContact C-N 3.29Å
133A83.6Confident78.6Confident1 Ų127.2 Ų27.21%0.00818%0.184CC..Hα-helixtrans-69.7-25.4174.700000112.9L36 T129 Q130 T135 Q144 N236L36-A133 HydrophobicContact CD1-CB 3.43Å; L36-A133 VanDerWaalsContact CD1-CB 3.43Å; T129-A133 WeakPolarHBondContact O-CB 3.47Å; T129-A133 PolarHBondContact O-N 2.95Å; Q130-A133 PolarHBondContact O-N 3.42Å; A133-T135 PolarHBondContact O-N 2.92Å; A133-Q144 PolarHBondContact O-NE2 3.15Å; A133-N236 WeakPolarHBondContact CB-OD1 3.47Å
134Q79.3Confident77.9Confident25 Ų2529 Ų2912%0.11719%0.19CC..  trans-65.7126.7-177.5-75.2170.612.700113.9R33 K71 Q130 L131 Q132 H145 H147R33-Q134 PolarHBondContact NH2-O 2.96Å; K71-Q134 PolarHBondContact NZ-O 3.41Å; Q130-Q134 WeakPolarHBondContact O-CG 3.13Å; Q130-Q134 PolarHBondContact O-N 3.5Å; L131-Q134 PolarHBondContact O-N 2.89Å; Q132-Q134 VanDerWaalsContact C-N 3.29Å; Q134-H145 VanDerWaalsContact CG-O 3.22Å; Q134-H145 WeakPolarHBondContact CG-O 3.46Å; Q134-H145 PolarHBondContact NE2-O 3.04Å; Q134-H147 VanDerWaalsContact NE2-N 3.1Å; Q134-H147 PolarHBondContact NE2-O 3.02Å; Q134-H147 PolarHBondContact OE1-O 3.4Å; Q134-H147 VanDerWaalsContact OE1-O 3.06Å
135T75.1Confident77.1Confident18 Ų1829.9 Ų29.911%0.1119%0.194CC..  trans-153.6175.7173.5-172.90000110.7R33 D64 A133 M139 A140 Q144R33-T135 PolarHBondContact NH1-OG1 3.42Å; D64-T135 VanDerWaalsContact CG-OG1 3.31Å; D64-T135 PolarHBondContact OD1-OG1 2.73Å; D64-T135 WeakPolarHBondContact OD2-CB 3.48Å; D64-T135 PolarHBondContact OD2-OG1 3.16Å; A133-T135 PolarHBondContact O-N 2.92Å; T135-M139 VanDerWaalsContact CG2-C 3.43Å; T135-M139 HydrophobicContact CG2-CB 4.05Å; T135-M139 WeakPolarHBondContact CG2-O 3.35Å; T135-A140 HydrophobicContact CG2-CB 4.46Å; T135-Q144 PolarHBondContact O-OE1 2.85Å
136V69.1Low76.2Confident78 Ų7836.3 Ų36.347%0.47323%0.229SC..  trans-58.5142.7176-178.20000109.8V63 A138 M139 A140V63-V136 HydrophobicContact CG1-CB 4.05Å; V63-V136 HydrophobicContact CG1-CG2 3.86Å; V136-A138 PolarHBondContact O-N 3.28Å; V136-M139 CarbonylContact O-C 3.58Å; V136-M139 PolarHBondContact O-N 3.16Å; V136-A140 PolarHBondContact O-N 2.98Å
137A66.7Low75.4Confident93 Ų9337 Ų3777%0.76923%0.233SC*.G310 helixtrans-50.1-33.5-175.300000114.4M139 A140A137-M139 PolarHBondContact O-N 2.94Å; A137-A140 WeakPolarHBondContact O-CB 3.17Å; A137-A140 PolarHBondContact O-N 3.1Å
138A57.1Low74.5Confident94 Ų9445.6 Ų45.678%0.77727%0.273SS*.G310 helixtrans-66.1-21.8177.300000114.5V136V136-A138 PolarHBondContact O-N 3.28Å
139M66.4Low74.1Confident28 Ų2848.9 Ų48.914%0.13829%0.294CS..G310 helixtrans-117.96.7179.2-64.3-72.2-72.600111.8P49 Y50 A59 V63 T135 V136 A137 V141P49-M139 HydrophobicContact CB-CE 3.44Å; P49-M139 VanDerWaalsContact CB-CE 3.44Å; P49-M139 HydrophobicContact CB-SD 3.32Å; P49-M139 WeakPolarHBondContact CB-SD 3.39Å; Y50-M139 HydrophobicContact CD1-CE 4.16Å; Y50-M139 HydrophobicContact CE1-CE 3.59Å; Y50-M139 PolarHBondContact OH-O 3.47Å; A59-M139 HydrophobicContact CB-CE 3.92Å; V63-M139 HydrophobicContact CG1-CG 4.18Å; V63-M139 HydrophobicContact CG2-CG 4.25Å; T135-M139 VanDerWaalsContact CG2-C 3.43Å; T135-M139 HydrophobicContact CG2-CB 4.05Å; T135-M139 WeakPolarHBondContact CG2-O 3.35Å; V136-M139 CarbonylContact O-C 3.58Å; V136-M139 PolarHBondContact O-N 3.16Å; A137-M139 PolarHBondContact O-N 2.94Å; M139-V141 PolarHBondContact O-N 2.85Å
140A66.5Low73.9Confident41 Ų4150.5 Ų50.534%0.33930%0.304SS..  trans-64134.4-174.900000111.1T135 V136 A137 Q144T135-A140 HydrophobicContact CG2-CB 4.46Å; V136-A140 PolarHBondContact O-N 2.98Å; A137-A140 WeakPolarHBondContact O-CB 3.17Å; A137-A140 PolarHBondContact O-N 3.1Å; A140-Q144 HydrophobicContact CB-CG 3.69Å
141V66.4Low73.7Confident13 Ų1356.9 Ų56.98%0.07934%0.337CS..  trans-138.2137-176.3169.10000108.7L36 Q37 P49 Y50 M139 Q144L36-V141 HydrophobicContact CB-CG1 3.6Å; L36-V141 WeakPolarHBondContact O-CG1 3.45Å; Q37-V141 HydrophobicContact CB-CG1 3.9Å; Q37-V141 HydrophobicContact CB-CG2 4.49Å; Q37-V141 HydrophobicContact CG-CG1 4.41Å; Q37-V141 HydrophobicContact CG-CG2 4.25Å; P49-V141 HydrophobicContact CG-CG2 4.01Å; Y50-V141 HydrophobicContact CD2-CG2 4.08Å; Y50-V141 HydrophobicContact CE2-CG2 3.79Å; M139-V141 PolarHBondContact O-N 2.85Å; V141-Q144 PolarHBondContact O-NE2 3.43Å
142G66.1Low73.7Confident30 Ų3057.3 Ų57.331%0.30934%0.344SS..SBendtrans63-173.8-16900000112.1
143H72.2Confident73.5Confident81 Ų8157.2 Ų57.238%0.37534%0.344SS..  trans-68.1132.5174-167.479.7000111.2H145 N236 P238H143-H145 AromaticContact CD2-CD2 3.87Å; H143-H145 AromaticContact CD2-CE1 3.5Å; H143-H145 PolarHBondContact CD2-CE1 3.34Å; H143-H145 VanDerWaalsContact CD2-CE1 3.5Å; H143-H145 AromaticContact CD2-ND1 3.82Å; H143-H145 AromaticContact CD2-NE2 3.52Å; H143-N236 PolarHBondContact N-ND2 2.93Å; H143-N236 VanDerWaalsContact N-ND2 3.18Å; H143-N236 PolarHBondContact O-ND2 3.33Å; H143-N236 PolarHBondContact O-OD1 3.42Å; H143-P238 HydrophobicContact CB-CG 4.49Å
144Q74.5Confident73.6Confident58 Ų5860.2 Ų60.227%0.27136%0.36SS..  trans-99.1100.9-179-64.1-70.9-56.700109.6A133 T135 A140 V141A133-Q144 PolarHBondContact O-NE2 3.15Å; T135-Q144 PolarHBondContact O-OE1 2.85Å; A140-Q144 HydrophobicContact CB-CG 3.69Å; V141-Q144 PolarHBondContact O-NE2 3.43Å
145H72.8Confident73.9Confident21 Ų2163.7 Ų63.710%0.09738%0.376CS..  trans-77.3125.6172-63.5-84.5000108.8Q130 Q134 H143 H147 N236Q130-H145 HydrophobicContact CB-CB 4.37Å; Q134-H145 VanDerWaalsContact CG-O 3.22Å; Q134-H145 WeakPolarHBondContact CG-O 3.46Å; Q134-H145 PolarHBondContact NE2-O 3.04Å; H143-H145 AromaticContact CD2-CD2 3.87Å; H143-H145 AromaticContact CD2-CE1 3.5Å; H143-H145 PolarHBondContact CD2-CE1 3.34Å; H143-H145 VanDerWaalsContact CD2-CE1 3.5Å; H143-H145 AromaticContact CD2-ND1 3.82Å; H143-H145 AromaticContact CD2-NE2 3.52Å; H145-H147 VanDerWaalsContact C-N 3.34Å; H145-H147 PolarHBondContact O-N 3.4Å; H145-H147 VanDerWaalsContact O-N 3.09Å; H145-N236 PolarHBondContact NE2-O 3.37Å
146N71.1Confident74.3Confident152 Ų15264.9 Ų64.981%0.81338%0.383SS*.  trans-89.764.3-173.7-153.916000112.2
147H72.6Confident75Confident15 Ų1561.3 Ų61.37%0.06936%0.361CS..  trans-105.6124.7179.2-55.1-52.9000111.3L131 Q134 H145 A153 T156L131-H147 HydrophobicContact CD2-CB 4.21Å; L131-H147 WeakPolarHBondContact CD2-O 3.3Å; Q134-H147 VanDerWaalsContact NE2-N 3.1Å; Q134-H147 PolarHBondContact NE2-O 3.02Å; Q134-H147 PolarHBondContact OE1-O 3.4Å; Q134-H147 VanDerWaalsContact OE1-O 3.06Å; H145-H147 VanDerWaalsContact C-N 3.34Å; H145-H147 PolarHBondContact O-N 3.4Å; H145-H147 VanDerWaalsContact O-N 3.09Å; H147-A153 HydrophobicContact CB-CB 3.69Å; H147-T156 VanDerWaalsContact CE1-CB 3.46Å; H147-T156 WeakPolarHBondContact CE1-CB 3.32Å
148Q69.5Low75.9Confident184 Ų18463.2 Ų63.286%0.8635%0.349SS*.SBendtrans-86.4-27.8-179.8-64.4-175.7-0.600113.5
149T81.9Confident77.1Confident79 Ų7967.9 Ų67.949%0.48535%0.346SS..SBendtrans-135.6158.5-174.364.10000111.4L151 G152 A153T149-L151 VanDerWaalsContact C-N 3.33Å; T149-L151 PolarHBondContact O-N 3.01Å; T149-G152 PolarHBondContact O-N 3.46Å; T149-G152 PolarHBondContact OG1-N 3.32Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 3.41Å
150V82.5Confident77.8Confident34 Ų3472.3 Ų72.321%0.20637%0.367CS..Hα-helixtrans-60.8-43177.21790000111.2A74 A75 I127 L131 A153 L154A74-V150 HydrophobicContact CB-CG2 4.02Å; A75-V150 HydrophobicContact CB-CG1 4.42Å; A75-V150 HydrophobicContact CB-CG2 4.03Å; I127-V150 HydrophobicContact CD1-CG1 4.34Å; I127-V150 HydrophobicContact CG2-CB 4.3Å; I127-V150 HydrophobicContact CG2-CG1 3.96Å; I127-V150 HydrophobicContact CG2-CG2 4.38Å; L131-V150 HydrophobicContact CD1-CG2 3.92Å; V150-A153 PolarHBondContact O-N 2.82Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 PolarHBondContact O-N 3.44Å
151L84.2Confident78.4Confident134 Ų13471.7 Ų71.770%0.70236%0.357SS*.Hα-helixtrans-68.9-40.4178-67174.1000111.9T149 A153 L154 E155T149-L151 VanDerWaalsContact C-N 3.33Å; T149-L151 PolarHBondContact O-N 3.01Å; L151-A153 VanDerWaalsContact C-N 3.34Å; L151-A153 PolarHBondContact O-N 3.42Å; L151-L154 PolarHBondContact O-N 2.93Å; L151-E155 WeakPolarHBondContact O-CB 3.47Å; L151-E155 PolarHBondContact O-N 3.1Å
152G84.2Confident79.1Confident22 Ų2272.4 Ų72.423%0.22737%0.367CS..Hα-helixtrans-64.6-38.317500000112.4T149 T156T149-G152 PolarHBondContact O-N 3.46Å; T149-G152 PolarHBondContact OG1-N 3.32Å; G152-T156 VanDerWaalsContact O-CB 3.31Å; G152-T156 WeakPolarHBondContact O-CB 3.32Å; G152-T156 PolarHBondContact O-N 2.91Å; G152-T156 PolarHBondContact O-OG1 3.27Å
153A82.8Confident79.8Confident0 Ų075.4 Ų75.40%038%0.375CS..Hα-helixtrans-62.6-49172.600000111.2I127 H147 T149 V150 L151 E155 T156 I157I127-A153 HydrophobicContact CG1-CB 4.14Å; I127-A153 HydrophobicContact CG2-CB 3.74Å; H147-A153 HydrophobicContact CB-CB 3.69Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 3.41Å; V150-A153 PolarHBondContact O-N 2.82Å; L151-A153 VanDerWaalsContact C-N 3.34Å; L151-A153 PolarHBondContact O-N 3.42Å; A153-E155 PolarHBondContact O-N 2.98Å; A153-T156 PolarHBondContact O-N 3.28Å; A153-I157 WeakPolarHBondContact O-CB 3.32Å; A153-I157 WeakPolarHBondContact O-CD1 3.38Å; A153-I157 WeakPolarHBondContact O-CG1 3.47Å; A153-I157 PolarHBondContact O-N 2.96Å
154L84.9Confident80.2Confident64 Ų6478.6 Ų78.634%0.33539%0.394SS..Hα-helixtrans-57.7-48.7178.2-177.566.6000111.6I127 V150 L151 W158 L166I127-L154 HydrophobicContact CD1-CB 3.97Å; I127-L154 HydrophobicContact CD1-CD1 4.14Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 PolarHBondContact O-N 3.44Å; L151-L154 PolarHBondContact O-N 2.93Å; L154-W158 WeakPolarHBondContact O-CB 3.24Å; L154-W158 PolarHBondContact O-N 3.34Å; L154-L166 HydrophobicContact CD1-CD1 3.79Å; L154-L166 HydrophobicContact CD1-CD2 3.54Å; L154-L166 HydrophobicContact CD1-CG 4.34Å
155E85.7Confident80.4Confident99 Ų9976 Ų7646%0.46338%0.383SS..Hα-helixtrans-63.7-43178.9-178.1176.2-170.900111.9L151 A153 W158 R159L151-E155 WeakPolarHBondContact O-CB 3.47Å; L151-E155 PolarHBondContact O-N 3.1Å; A153-E155 PolarHBondContact O-N 2.98Å; E155-W158 PolarHBondContact O-N 3.24Å; E155-R159 HydrophobicContact CG-CG 4.37Å; E155-R159 WeakPolarHBondContact O-CB 3.31Å; E155-R159 VanDerWaalsContact O-CG 3.31Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.46Å; E155-R159 IonicContact OE1-CZ 3.12Å; E155-R159 IonicContact OE1-NE 2.64Å; E155-R159 PolarHBondContact OE1-NE 3.32Å; E155-R159 IonicContact OE1-NH2 3.6Å; E155-R159 PolarHBondContact OE1-NH2 2.96Å
156T83.8Confident80.9Confident43 Ų4375.5 Ų75.526%0.26438%0.381SS..Hα-helixtrans-65.7-46-179.3-53.70000111H147 G152 A153 W158 R159 Q160H147-T156 VanDerWaalsContact CE1-CB 3.46Å; H147-T156 WeakPolarHBondContact CE1-CB 3.32Å; G152-T156 VanDerWaalsContact O-CB 3.31Å; G152-T156 WeakPolarHBondContact O-CB 3.32Å; G152-T156 PolarHBondContact O-N 2.91Å; G152-T156 PolarHBondContact O-OG1 3.27Å; A153-T156 PolarHBondContact O-N 3.28Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-W158 PolarHBondContact O-N 3.27Å; T156-R159 PolarHBondContact O-N 3.42Å; T156-Q160 HydrophobicContact CG2-CG 4.25Å; T156-Q160 VanDerWaalsContact O-CB 3.31Å; T156-Q160 WeakPolarHBondContact O-CB 3.31Å; T156-Q160 VanDerWaalsContact O-CG 3.28Å; T156-Q160 WeakPolarHBondContact O-CG 3.39Å; T156-Q160 PolarHBondContact O-N 3.37Å
157I84.2Confident81.6Confident2 Ų271.5 Ų71.51%0.0135%0.354CS..Hα-helixtrans-62-45.6177.1-65.3163.5000109.8L126 I127 A153 R159 Q160 Q161 G162 L166L126-I157 HydrophobicContact CD2-CD1 4Å; L126-I157 HydrophobicContact CD2-CG2 4.5Å; L126-I157 HydrophobicContact CG-CD1 4.41Å; I127-I157 HydrophobicContact CG1-CD1 4.22Å; A153-I157 WeakPolarHBondContact O-CB 3.32Å; A153-I157 WeakPolarHBondContact O-CD1 3.38Å; A153-I157 WeakPolarHBondContact O-CG1 3.47Å; A153-I157 PolarHBondContact O-N 2.96Å; I157-R159 PolarHBondContact O-N 2.72Å; I157-Q160 PolarHBondContact O-N 2.99Å; I157-Q161 WeakPolarHBondContact O-CB 3.47Å; I157-Q161 PolarHBondContact O-N 3.39Å; I157-G162 PolarHBondContact O-N 3.34Å; I157-L166 HydrophobicContact CB-CD2 4.16Å; I157-L166 HydrophobicContact CG2-CD2 3.68Å; I157-L166 HydrophobicContact CG2-CG 4.27Å
158W84.1Confident82Confident134 Ų13471.8 Ų71.851%0.50836%0.356SS..Hα-helixtrans-59.2-45.5178-176.8-86.1000112.5L154 E155 T156 G162 L163 L166L154-W158 WeakPolarHBondContact O-CB 3.24Å; L154-W158 PolarHBondContact O-N 3.34Å; E155-W158 PolarHBondContact O-N 3.24Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-W158 PolarHBondContact O-N 3.27Å; W158-G162 WeakPolarHBondContact O-CA 3.3Å; W158-G162 PolarHBondContact O-N 3.05Å; W158-L163 HydrophobicContact CE3-CB 4.4Å; W158-L163 HydrophobicContact CH2-CB 4.09Å; W158-L163 HydrophobicContact CH2-CD1 3.61Å; W158-L163 HydrophobicContact CH2-CG 4.09Å; W158-L163 HydrophobicContact CZ3-CB 3.8Å; W158-L163 HydrophobicContact CZ3-CD1 3.73Å; W158-L163 HydrophobicContact CZ3-CG 3.73Å; W158-L166 HydrophobicContact CE3-CD1 3.93Å; W158-L166 HydrophobicContact CZ3-CD1 4.28Å
159R83.6Confident82.3Confident192 Ų19263.7 Ų63.773%0.72532%0.322SS*.Hα-helixtrans-69.7-34.4179.4-73.1-180-179.3-133.76113E155 T156 I157E155-R159 HydrophobicContact CG-CG 4.37Å; E155-R159 WeakPolarHBondContact O-CB 3.31Å; E155-R159 VanDerWaalsContact O-CG 3.31Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.46Å; E155-R159 IonicContact OE1-CZ 3.12Å; E155-R159 IonicContact OE1-NE 2.64Å; E155-R159 PolarHBondContact OE1-NE 3.32Å; E155-R159 IonicContact OE1-NH2 3.6Å; E155-R159 PolarHBondContact OE1-NH2 2.96Å; T156-R159 PolarHBondContact O-N 3.42Å; I157-R159 PolarHBondContact O-N 2.72Å
160Q81.3Confident82.4Confident121 Ų12161.3 Ų61.357%0.56531%0.307SS*.Hα-helixtrans-88.6-35.9-175-70.2-179.4-1.800113.8T156 I157T156-Q160 HydrophobicContact CG2-CG 4.25Å; T156-Q160 VanDerWaalsContact O-CB 3.31Å; T156-Q160 WeakPolarHBondContact O-CB 3.31Å; T156-Q160 VanDerWaalsContact O-CG 3.28Å; T156-Q160 WeakPolarHBondContact O-CG 3.39Å; T156-Q160 PolarHBondContact O-N 3.37Å; I157-Q160 PolarHBondContact O-N 2.99Å
161Q77.9Confident82.4Confident28 Ų2861.8 Ų61.813%0.13132%0.319CS..Hα-helixtrans-125.1-7.2-168.3-56.3167.619.700112.8I157 Q168 V239I157-Q161 WeakPolarHBondContact O-CB 3.47Å; I157-Q161 PolarHBondContact O-N 3.39Å; Q161-Q168 VanDerWaalsContact OE1-OE1 3.12Å; Q161-V239 HydrophobicContact CG-CG2 3.69Å
162G81.8Confident82.2Confident28 Ų2855.4 Ų55.429%0.28929%0.285SS..Hα-helixtrans71.7-168-176.600000113.6I157 W158 L164 G165I157-G162 PolarHBondContact O-N 3.34Å; W158-G162 WeakPolarHBondContact O-CA 3.3Å; W158-G162 PolarHBondContact O-N 3.05Å; G162-L164 VanDerWaalsContact C-N 3.34Å; G162-L164 PolarHBondContact O-N 3.13Å; G162-G165 PolarHBondContact O-N 3.46Å
163L80.9Confident82.2Confident93 Ų9354.8 Ų54.849%0.48728%0.278SS..Hα-helixtrans-64.2-37.2-176.5-169149.2000112.5W158 G165 L166 W167W158-L163 HydrophobicContact CE3-CB 4.4Å; W158-L163 HydrophobicContact CH2-CB 4.09Å; W158-L163 HydrophobicContact CH2-CD1 3.61Å; W158-L163 HydrophobicContact CH2-CG 4.09Å; W158-L163 HydrophobicContact CZ3-CB 3.8Å; W158-L163 HydrophobicContact CZ3-CD1 3.73Å; W158-L163 HydrophobicContact CZ3-CG 3.73Å; L163-G165 VanDerWaalsContact C-N 3.26Å; L163-G165 PolarHBondContact O-N 3.26Å; L163-L166 PolarHBondContact O-N 3.38Å; L163-W167 HydrophobicContact CD2-CE3 4.24Å; L163-W167 HydrophobicContact CD2-CZ3 3.72Å; L163-W167 HydrophobicContact CG-CZ3 4.23Å
164L79.3Confident82.4Confident148 Ų14856.4 Ų56.478%0.77529%0.288SS*.Hα-helixtrans-68.1-25.3179.7-68.3173.9000112.9G162 L166 W167G162-L164 VanDerWaalsContact C-N 3.34Å; G162-L164 PolarHBondContact O-N 3.13Å; L164-L166 PolarHBondContact O-N 3.23Å; L164-W167 PolarHBondContact O-N 3.24Å; L164-W167 VanDerWaalsContact O-N 3.16Å
165G79.4Confident82.6Confident3 Ų354.9 Ų54.93%0.03128%0.282CS..Hα-helixtrans-60-29.9174.700000113.2L126 G162 L163 W167 Q168L126-G165 WeakPolarHBondContact CD2-O 3.31Å; G162-G165 PolarHBondContact O-N 3.46Å; L163-G165 VanDerWaalsContact C-N 3.26Å; L163-G165 PolarHBondContact O-N 3.26Å; G165-W167 PolarHBondContact O-N 3.28Å; G165-Q168 WeakPolarHBondContact O-CB 3.39Å; G165-Q168 PolarHBondContact O-N 2.88Å; G165-Q168 VanDerWaalsContact O-N 3.16Å
166L83.4Confident82.7Confident10 Ų1051.8 Ų51.85%0.05227%0.266CS..THydrogen-bonded Turntrans-69.9-19.9178.9-64.1174000114.1P123 L154 I157 W158 L163 L164P123-L166 WeakPolarHBondContact CA-O 3.5Å; P123-L166 HydrophobicContact CB-CB 4Å; P123-L166 HydrophobicContact CB-CD2 4.44Å; P123-L166 HydrophobicContact CG-CB 3.98Å; L154-L166 HydrophobicContact CD1-CD1 3.79Å; L154-L166 HydrophobicContact CD1-CD2 3.54Å; L154-L166 HydrophobicContact CD1-CG 4.34Å; I157-L166 HydrophobicContact CB-CD2 4.16Å; I157-L166 HydrophobicContact CG2-CD2 3.68Å; I157-L166 HydrophobicContact CG2-CG 4.27Å; W158-L166 HydrophobicContact CE3-CD1 3.93Å; W158-L166 HydrophobicContact CZ3-CD1 4.28Å; L163-L166 PolarHBondContact O-N 3.38Å; L164-L166 PolarHBondContact O-N 3.23Å
167W85.9Confident82.7Confident69 Ų6950.7 Ų50.726%0.26126%0.259SS..THydrogen-bonded Turntrans-100.211.9175.6-80.6-92000113.2F119 P123 L163 L164 G165 G169 V170F119-W167 AromaticContact CD1-NE1 3.77Å; F119-W167 AromaticContact CD2-CD1 3.76Å; F119-W167 AromaticContact CD2-NE1 3.89Å; F119-W167 AromaticContact CE1-NE1 3.55Å; F119-W167 AromaticContact CE2-CD1 3.46Å; F119-W167 VanDerWaalsContact CE2-CD1 3.46Å; F119-W167 HydrophobicContact CE2-CG 4.33Å; F119-W167 AromaticContact CE2-NE1 3.67Å; F119-W167 AromaticContact CG-NE1 3.92Å; F119-W167 AromaticContact CZ-CD1 3.71Å; F119-W167 HydrophobicContact CZ-CG 4.43Å; F119-W167 AromaticContact CZ-NE1 3.49Å; F119-W167 PolarHBondContact O-NE1 3.36Å; P123-W167 HydrophobicContact CG-CD2 4.36Å; P123-W167 HydrophobicContact CG-CE3 4.45Å; P123-W167 HydrophobicContact CG-CH2 4.04Å; P123-W167 HydrophobicContact CG-CZ2 3.92Å; P123-W167 HydrophobicContact CG-CZ3 4.3Å; L163-W167 HydrophobicContact CD2-CE3 4.24Å; L163-W167 HydrophobicContact CD2-CZ3 3.72Å; L163-W167 HydrophobicContact CG-CZ3 4.23Å; L164-W167 PolarHBondContact O-N 3.24Å; L164-W167 VanDerWaalsContact O-N 3.16Å; G165-W167 PolarHBondContact O-N 3.28Å; W167-G169 PolarHBondContact O-N 3.46Å; W167-V170 HydrophobicContact CB-CG1 4.46Å; W167-V170 WeakPolarHBondContact O-CB 3.44Å; W167-V170 VanDerWaalsContact O-CG1 3.3Å; W167-V170 WeakPolarHBondContact O-CG1 3.34Å; W167-V170 PolarHBondContact O-N 2.91Å
168Q79.9Confident82.8Confident20 Ų2054.8 Ų54.89%0.09328%0.279CS..THydrogen-bonded Turntrans-52.8136.2168.6-111.1-167-89.600111L126 Q161 G165 V170 Y235 V239L126-Q168 HydrophobicContact CD1-CB 4.47Å; Q161-Q168 VanDerWaalsContact OE1-OE1 3.12Å; G165-Q168 WeakPolarHBondContact O-CB 3.39Å; G165-Q168 PolarHBondContact O-N 2.88Å; G165-Q168 VanDerWaalsContact O-N 3.16Å; Q168-V170 PolarHBondContact O-N 3.31Å; Q168-Y235 WeakPolarHBondContact O-CD1 3.34Å; Q168-Y235 WeakPolarHBondContact O-CE1 3.34Å; Q168-V239 HydrophobicContact CG-CG1 4.01Å
169G77.1Confident82.9Confident14 Ų1450.4 Ų50.414%0.14427%0.267CS..THydrogen-bonded Turntrans78-1.6176.300000115W167 G171 G172 A173W167-G169 PolarHBondContact O-N 3.46Å; G169-G171 PolarHBondContact O-N 3.15Å; G169-G171 VanDerWaalsContact O-N 3.15Å; G169-G172 WeakPolarHBondContact O-CA 3.47Å; G169-G172 PolarHBondContact O-N 3.26Å; G169-A173 PolarHBondContact O-N 3.21Å
170V83.8Confident83Confident30 Ų3041.6 Ų41.618%0.18224%0.236CC..Hα-helixtrans-57.4-32175.676.30000112.4F119 W167 Q168 G172 A173 V174F119-V170 HydrophobicContact CD2-CG2 3.82Å; W167-V170 HydrophobicContact CB-CG1 4.46Å; W167-V170 WeakPolarHBondContact O-CB 3.44Å; W167-V170 VanDerWaalsContact O-CG1 3.3Å; W167-V170 WeakPolarHBondContact O-CG1 3.34Å; W167-V170 PolarHBondContact O-N 2.91Å; Q168-V170 PolarHBondContact O-N 3.31Å; V170-G172 PolarHBondContact O-N 3.3Å; V170-A173 PolarHBondContact O-N 2.95Å; V170-A173 VanDerWaalsContact O-N 3.08Å; V170-V174 HydrophobicContact CG2-CG2 4.05Å; V170-V174 PolarHBondContact O-N 2.93Å
171G81.6Confident83.1Confident44 Ų4437.6 Ų37.645%0.45422%0.221SC..Hα-helixtrans-62.7-18.5173.800000114.4G169 P175G169-G171 PolarHBondContact O-N 3.15Å; G169-G171 VanDerWaalsContact O-N 3.15Å; G171-P175 VanDerWaalsContact O-CD 3.25Å; G171-P175 WeakPolarHBondContact O-CD 3.22Å; G171-P175 VanDerWaalsContact O-CG 3.31Å; G171-P175 WeakPolarHBondContact O-CG 3.41Å
172G81.5Confident83.4Confident0 Ų038.8 Ų38.80%024%0.236CC..Hα-helixtrans-93.1-33.216900000113.6G169 V170 R176G169-G172 WeakPolarHBondContact O-CA 3.47Å; G169-G172 PolarHBondContact O-N 3.26Å; V170-G172 PolarHBondContact O-N 3.3Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 3.23Å
173A84Confident83.7Confident8 Ų838.2 Ų38.27%0.06623%0.229CC..Hα-helixtrans-71.1-42.6-176.800000113.8G169 V170 R176 V177 Y235G169-A173 PolarHBondContact O-N 3.21Å; V170-A173 PolarHBondContact O-N 2.95Å; V170-A173 VanDerWaalsContact O-N 3.08Å; A173-R176 WeakPolarHBondContact O-CB 3.23Å; A173-R176 PolarHBondContact O-N 2.98Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 2.89Å; A173-V177 VanDerWaalsContact O-N 3.09Å; A173-Y235 HydrophobicContact CB-CE2 3.85Å; A173-Y235 WeakPolarHBondContact CB-OH 3.45Å
174V86.9Confident83.9Confident35 Ų3539 Ų3921%0.21223%0.229CC..Hα-helixtrans-64.9-51.2-177.3171.50000111.3A115 A118 V170 R176 V177 M178A115-V174 HydrophobicContact CB-CG1 3.84Å; A118-V174 HydrophobicContact CB-CG2 4.38Å; V170-V174 HydrophobicContact CG2-CG2 4.05Å; V170-V174 PolarHBondContact O-N 2.93Å; V174-R176 VanDerWaalsContact C-N 3.26Å; V174-R176 PolarHBondContact O-N 3.46Å; V174-V177 PolarHBondContact O-N 3.33Å; V174-V177 VanDerWaalsContact O-N 3.16Å; V174-M178 HydrophobicContact CG1-CG 4.34Å; V174-M178 HydrophobicContact CG1-SD 3.83Å; V174-M178 WeakPolarHBondContact O-CG 3.26Å; V174-M178 PolarHBondContact O-N 3.01Å
175P88.3Confident84Confident32 Ų3236 Ų3621%0.20821%0.214CC..Hα-helixtrans-58.5-38.4176.5-26.236.2000112.9G171 V177 M178 V179 F227 L251G171-P175 VanDerWaalsContact O-CD 3.25Å; G171-P175 WeakPolarHBondContact O-CD 3.22Å; G171-P175 VanDerWaalsContact O-CG 3.31Å; G171-P175 WeakPolarHBondContact O-CG 3.41Å; P175-V177 PolarHBondContact O-N 3.29Å; P175-M178 PolarHBondContact O-N 3.19Å; P175-V179 WeakPolarHBondContact O-CB 3.38Å; P175-V179 VanDerWaalsContact O-CG2 3.25Å; P175-V179 WeakPolarHBondContact O-CG2 3.21Å; P175-V179 PolarHBondContact O-N 2.75Å; P175-F227 HydrophobicContact CB-CD1 3.9Å; P175-F227 HydrophobicContact CB-CE1 4.08Å; P175-L251 HydrophobicContact CB-CD2 4.44Å; P175-L251 HydrophobicContact CG-CD2 4.05Å
176R87.4Confident84.2Confident34 Ų3438.9 Ų38.913%0.12824%0.237CC..Hα-helixtrans-56.6-50.6175.3172.5-166.3168.3167.9-1111.9Y125 G172 A173 V174 G180 M224 F227 D228 S231Y125-R176 VanDerWaalsContact CZ-NH1 3.34Å; Y125-R176 PolarHBondContact OH-NH1 2.95Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 3.23Å; A173-R176 WeakPolarHBondContact O-CB 3.23Å; A173-R176 PolarHBondContact O-N 2.98Å; V174-R176 VanDerWaalsContact C-N 3.26Å; V174-R176 PolarHBondContact O-N 3.46Å; R176-G180 PolarHBondContact O-N 3.42Å; R176-M224 HydrophobicContact CG-CG 3.81Å; R176-M224 HydrophobicContact CG-SD 4.18Å; R176-F227 HydrophobicContact CB-CB 3.83Å; R176-F227 HydrophobicContact CG-CB 4.42Å; R176-D228 WeakPolarHBondContact CD-OD1 3.45Å; R176-D228 WeakPolarHBondContact CG-OD1 3.19Å; R176-D228 IonicContact CZ-OD1 3.53Å; R176-D228 IonicContact NE-OD1 3.71Å; R176-D228 PolarHBondContact NE-OD1 3.36Å; R176-D228 IonicContact NH1-OD1 3.88Å; R176-D228 IonicContact NH2-OD1 2.63Å; R176-S231 PolarHBondContact NH1-OG 3.25Å
177V85.1Confident84.4Confident19 Ų1940.1 Ų40.112%0.11525%0.246CC..Hα-helixtrans-66.4-41.8-179.1174.10000110.8M83 A118 A173 V174 P175 G180 S181M83-V177 HydrophobicContact CE-CG1 4.09Å; M83-V177 HydrophobicContact CE-CG2 4.09Å; A118-V177 HydrophobicContact CB-CB 4.47Å; A118-V177 HydrophobicContact CB-CG2 3.97Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 2.89Å; A173-V177 VanDerWaalsContact O-N 3.09Å; V174-V177 PolarHBondContact O-N 3.33Å; V174-V177 VanDerWaalsContact O-N 3.16Å; P175-V177 PolarHBondContact O-N 3.29Å; V177-G180 PolarHBondContact O-N 3.16Å; V177-S181 PolarHBondContact O-N 3.49Å; V177-S181 PolarHBondContact O-OG 2.82Å
178M84.4Confident84.3Confident89 Ų8940.1 Ų40.144%0.43825%0.248SC..Hα-helixtrans-60.2-49.1177.1-69.3177.868.700112.2V174 P175 S181 A182V174-M178 HydrophobicContact CG1-CG 4.34Å; V174-M178 HydrophobicContact CG1-SD 3.83Å; V174-M178 WeakPolarHBondContact O-CG 3.26Å; V174-M178 PolarHBondContact O-N 3.01Å; P175-M178 PolarHBondContact O-N 3.19Å; M178-S181 PolarHBondContact O-N 2.81Å; M178-A182 WeakPolarHBondContact O-CB 3.14Å; M178-A182 PolarHBondContact O-N 2.66Å
179V87.8Confident84.4Confident42 Ų4243.5 Ų43.526%0.25527%0.269SS..Hα-helixtrans-65.1-42179.4171.50000111P175 A182 A183 A223 F227P175-V179 WeakPolarHBondContact O-CB 3.38Å; P175-V179 VanDerWaalsContact O-CG2 3.25Å; P175-V179 WeakPolarHBondContact O-CG2 3.21Å; P175-V179 PolarHBondContact O-N 2.75Å; V179-A182 PolarHBondContact O-N 3.19Å; V179-A183 VanDerWaalsContact O-CB 3.27Å; V179-A183 WeakPolarHBondContact O-CB 3.43Å; V179-A183 PolarHBondContact O-N 3.02Å; V179-A223 HydrophobicContact CG1-CB 4Å; V179-F227 HydrophobicContact CB-CD2 4.25Å; V179-F227 HydrophobicContact CB-CE2 4.28Å; V179-F227 HydrophobicContact CG1-CD2 4.16Å; V179-F227 HydrophobicContact CG1-CE2 4.1Å; V179-F227 HydrophobicContact CG2-CD2 4.08Å; V179-F227 HydrophobicContact CG2-CE2 3.72Å; V179-F227 HydrophobicContact CG2-CZ 4.07Å
180G85.7Confident84.8Confident6 Ų646.5 Ų46.56%0.06229%0.289CS..Hα-helixtrans-59.3-48.1176.300000112.4R176 V177 Q184R176-G180 PolarHBondContact O-N 3.42Å; V177-G180 PolarHBondContact O-N 3.16Å; G180-Q184 VanDerWaalsContact O-CB 3.31Å; G180-Q184 WeakPolarHBondContact O-CB 2.95Å; G180-Q184 PolarHBondContact O-N 3.01Å
181S83.4Confident84.8Confident37 Ų3745.5 Ų45.526%0.25928%0.283SS..Hα-helixtrans-65.6-43.6177.7-66.60000112.7V177 M178 Q184 L185V177-S181 PolarHBondContact O-N 3.49Å; V177-S181 PolarHBondContact O-OG 2.82Å; M178-S181 PolarHBondContact O-N 2.81Å; S181-Q184 PolarHBondContact O-N 3.1Å; S181-L185 WeakPolarHBondContact O-CG 3.27Å; S181-L185 PolarHBondContact O-N 3.27Å
182A84.4Confident84.8Confident54 Ų5447.1 Ų47.145%0.44628%0.278SS..Hα-helixtrans-62.5-47.2178.300000111.7M178 V179 Q184 L185 A186M178-A182 WeakPolarHBondContact O-CB 3.14Å; M178-A182 PolarHBondContact O-N 2.66Å; V179-A182 PolarHBondContact O-N 3.19Å; A182-Q184 PolarHBondContact O-N 2.95Å; A182-L185 PolarHBondContact O-N 3.42Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.37Å
183A87.1Confident84.9Confident16 Ų1649.8 Ų49.813%0.13230%0.3CS..Hα-helixtrans-60.4-46.6176.600000111V179 L185 A186 T187 V220 A223V179-A183 VanDerWaalsContact O-CB 3.27Å; V179-A183 WeakPolarHBondContact O-CB 3.43Å; V179-A183 PolarHBondContact O-N 3.02Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3Å; A183-A186 PolarHBondContact O-N 3.17Å; A183-T187 PolarHBondContact O-N 2.92Å; A183-T187 PolarHBondContact O-OG1 3.29Å; A183-V220 HydrophobicContact CB-CB 4.5Å; A183-V220 HydrophobicContact CB-CG2 4.1Å; A183-A223 HydrophobicContact CB-CB 4.1Å
184Q85.3Confident84.9Confident108 Ų10855.1 Ų55.151%0.50532%0.318SS..Hα-helixtrans-60.2-45.1-178.6-177.6178.2-23.600111.4G180 S181 A182 F188 V220G180-Q184 VanDerWaalsContact O-CB 3.31Å; G180-Q184 WeakPolarHBondContact O-CB 2.95Å; G180-Q184 PolarHBondContact O-N 3.01Å; S181-Q184 PolarHBondContact O-N 3.1Å; A182-Q184 PolarHBondContact O-N 2.95Å; Q184-F188 WeakPolarHBondContact O-CB 3.33Å; Q184-F188 PolarHBondContact O-N 2.91Å; Q184-V220 VanDerWaalsContact CA-CG2 3.45Å; Q184-V220 HydrophobicContact CB-CG2 3.76Å; Q184-V220 HydrophobicContact CG-CG2 4.46Å
185L81.6Confident84.7Confident86 Ų8653.9 Ų53.945%0.4531%0.311SS..Hα-helixtrans-67.6-39.3180-69.2168.2000112.2V107 S181 A182 A183V107-L185 HydrophobicContact CB-CD1 4.3Å; V107-L185 HydrophobicContact CG1-CD1 3.93Å; V107-L185 HydrophobicContact CG2-CD1 4.13Å; S181-L185 WeakPolarHBondContact O-CG 3.27Å; S181-L185 PolarHBondContact O-N 3.27Å; A182-L185 PolarHBondContact O-N 3.42Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3Å
186A84.6Confident84.3Confident63 Ų6355.9 Ų55.952%0.52132%0.317SS..Hα-helixtrans-67.4-39.5178.500000112.6A182 A183 S190A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.37Å; A183-A186 PolarHBondContact O-N 3.17Å; A186-S190 PolarHBondContact O-OG 3.45Å
187T86.8Confident84.1Confident37 Ų3762.8 Ų62.823%0.22735%0.348CS..Hα-helixtrans-94.9-25.5-172.660.10000113.6A183 A191 S216 A219A183-T187 PolarHBondContact O-N 2.92Å; A183-T187 PolarHBondContact O-OG1 3.29Å; T187-A191 WeakPolarHBondContact O-CB 3.24Å; T187-A191 PolarHBondContact O-N 3.22Å; T187-S216 PolarHBondContact OG1-OG 3.39Å; T187-A219 HydrophobicContact CG2-CB 3.7Å
188F84.6Confident83.8Confident69 Ų6965.6 Ų65.630%0.30336%0.36SS..Hα-helixtrans-66.8-44.3-176.1-179.5-101.5000112.9Q184 A191 K192 S216Q184-F188 WeakPolarHBondContact O-CB 3.33Å; Q184-F188 PolarHBondContact O-N 2.91Å; F188-A191 PolarHBondContact O-N 2.94Å; F188-K192 HydrophobicContact CE1-CD 4.38Å; F188-K192 VanDerWaalsContact O-CB 3.25Å; F188-K192 WeakPolarHBondContact O-CB 3.49Å; F188-K192 PolarHBondContact O-N 3.23Å; F188-S216 WeakPolarHBondContact CA-OG 3.12Å; F188-S216 PolarHBondContact N-OG 2.92Å
189T81Confident83.2Confident90 Ų9068 Ų6855%0.55237%0.37SS*.Hα-helixtrans-62.3-47.2178.849.60000111.1K192 A193T189-K192 PolarHBondContact O-N 3Å; T189-A193 WeakPolarHBondContact O-CB 3.4Å; T189-A193 PolarHBondContact O-N 2.91Å
190S84.9Confident82.3Confident78 Ų7874.7 Ų74.755%0.54539%0.391SS..Hα-helixtrans-63.4-44.6177.1-56.80000112.1A186 A193 W194A186-S190 PolarHBondContact O-OG 3.45Å; S190-A193 PolarHBondContact O-N 2.77Å; S190-W194 WeakPolarHBondContact O-CB 3.2Å; S190-W194 PolarHBondContact O-N 2.73Å
191A85.4Confident81.6Confident9 Ų976.9 Ų76.97%0.07440%0.401CS..Hα-helixtrans-65.8-41.4178.300000111.7T187 F188 W194 V195 G212 I215T187-A191 WeakPolarHBondContact O-CB 3.24Å; T187-A191 PolarHBondContact O-N 3.22Å; F188-A191 PolarHBondContact O-N 2.94Å; A191-W194 PolarHBondContact O-N 3.32Å; A191-V195 WeakPolarHBondContact O-CG2 3.29Å; A191-V195 PolarHBondContact O-N 2.88Å; A191-G212 WeakPolarHBondContact CB-O 3.25Å; A191-I215 HydrophobicContact CB-CB 4.27Å; A191-I215 HydrophobicContact CB-CG2 4.12Å
192K80.8Confident81Confident78 Ų7879.4 Ų79.434%0.33942%0.416SS..Hα-helixtrans-62.8-46.6176-173.1-179.3177.3-1760111.3F188 T189 W194 V195 Q196 V208F188-K192 HydrophobicContact CE1-CD 4.38Å; F188-K192 VanDerWaalsContact O-CB 3.25Å; F188-K192 WeakPolarHBondContact O-CB 3.49Å; F188-K192 PolarHBondContact O-N 3.23Å; T189-K192 PolarHBondContact O-N 3Å; K192-W194 VanDerWaalsContact C-N 3.29Å; K192-W194 PolarHBondContact O-N 3.07Å; K192-V195 PolarHBondContact O-N 3.31Å; K192-Q196 WeakPolarHBondContact O-CG 3.45Å; K192-Q196 PolarHBondContact O-N 3.49Å; K192-V208 HydrophobicContact CG-CG1 4.49Å
193A83.3Confident79.8Confident55 Ų5582.5 Ų82.546%0.45542%0.422SS..Hα-helixtrans-60.9-39177.200000112.1T189 S190 Q196 K197T189-A193 WeakPolarHBondContact O-CB 3.4Å; T189-A193 PolarHBondContact O-N 2.91Å; S190-A193 PolarHBondContact O-N 2.77Å; A193-Q196 PolarHBondContact O-N 3.49Å; A193-K197 WeakPolarHBondContact O-CB 3.45Å; A193-K197 PolarHBondContact O-N 2.68Å
194W84Confident78.6Confident121 Ų12189.9 Ų89.946%0.45846%0.459SS..Hα-helixtrans-64.2-44.8175.5-176.382.1000112.4S190 A191 K192 K197 Q198 W200 I215S190-W194 WeakPolarHBondContact O-CB 3.2Å; S190-W194 PolarHBondContact O-N 2.73Å; A191-W194 PolarHBondContact O-N 3.32Å; K192-W194 VanDerWaalsContact C-N 3.29Å; K192-W194 PolarHBondContact O-N 3.07Å; W194-K197 PolarHBondContact O-N 3.26Å; W194-Q198 WeakPolarHBondContact O-CG 3.49Å; W194-Q198 PolarHBondContact O-N 3.21Å; W194-W200 HydrophobicContact CH2-CH2 4.36Å; W194-W200 HydrophobicContact CH2-CZ3 4.48Å; W194-I215 HydrophobicContact CE3-CD1 3.81Å; W194-I215 HydrophobicContact CZ3-CD1 3.56Å
195V82.9Confident78Confident8 Ų886.1 Ų86.15%0.04844%0.444CS..Hα-helixtrans-64.4-41.7177.3174.50000111.6A191 K192 K197 Q198 V208 A211 I215A191-V195 WeakPolarHBondContact O-CG2 3.29Å; A191-V195 PolarHBondContact O-N 2.88Å; K192-V195 PolarHBondContact O-N 3.31Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.63Å; V195-Q198 PolarHBondContact O-N 2.88Å; V195-V208 HydrophobicContact CG1-CG1 4Å; V195-A211 HydrophobicContact CG1-CB 4.11Å; V195-A211 HydrophobicContact CG2-CB 4.28Å; V195-I215 HydrophobicContact CG2-CD1 3.6Å
196Q80.3Confident77.5Confident74 Ų7489 Ų8935%0.34645%0.449SS..Hα-helixtrans-62.7-41.2177.1-74.5178.2-45.600111.8K192 A193 Q198 Q199 V208K192-Q196 WeakPolarHBondContact O-CG 3.45Å; K192-Q196 PolarHBondContact O-N 3.49Å; A193-Q196 PolarHBondContact O-N 3.49Å; Q196-Q198 PolarHBondContact O-N 3.17Å; Q196-Q199 PolarHBondContact O-N 3.44Å; Q196-Q199 VanDerWaalsContact O-N 3.15Å; Q196-V208 HydrophobicContact CG-CG1 3.59Å
197K82.1Confident77.1Confident179 Ų17988.9 Ų88.978%0.77844%0.44SS*.Hα-helixtrans-61.6-28.6178.6-173.2176.2179.1179.80113.5A193 W194 V195 Q199A193-K197 WeakPolarHBondContact O-CB 3.45Å; A193-K197 PolarHBondContact O-N 2.68Å; W194-K197 PolarHBondContact O-N 3.26Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.63Å; K197-Q199 VanDerWaalsContact C-N 3.31Å
198Q79.2Confident76.7Confident79 Ų7987.2 Ų87.237%0.36943%0.43SS..THydrogen-bonded Turntrans-79.3-11.6-179.6-65.5-68.51.100113.5W194 V195 Q196 W200W194-Q198 WeakPolarHBondContact O-CG 3.49Å; W194-Q198 PolarHBondContact O-N 3.21Å; V195-Q198 PolarHBondContact O-N 2.88Å; Q196-Q198 PolarHBondContact O-N 3.17Å; Q198-W200 HydrophobicContact CB-CD2 3.96Å; Q198-W200 HydrophobicContact CB-CG 4.06Å; Q198-W200 HydrophobicContact CB-CZ2 4.44Å; Q198-W200 HydrophobicContact CG-CZ2 4.42Å; Q198-W200 PolarHBondContact O-N 3.3Å
199Q71.9Confident76.4Confident140 Ų14085.5 Ų85.565%0.65443%0.428SS*.THydrogen-bonded Turntrans4923.1-178.3-64.4-159.2-46.700115.6Q196 K197 L201 E203Q196-Q199 PolarHBondContact O-N 3.44Å; Q196-Q199 VanDerWaalsContact O-N 3.15Å; K197-Q199 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.88Å; Q199-E203 PolarHBondContact NE2-OE1 2.9Å
200W69.6Low76.3Confident182 Ų18282.4 Ų82.469%0.68941%0.408SS*.SBendtrans-67.9-18177.9-66.3-13000113.4W194 Q198W194-W200 HydrophobicContact CH2-CH2 4.36Å; W194-W200 HydrophobicContact CH2-CZ3 4.48Å; Q198-W200 HydrophobicContact CB-CD2 3.96Å; Q198-W200 HydrophobicContact CB-CG 4.06Å; Q198-W200 HydrophobicContact CB-CZ2 4.44Å; Q198-W200 HydrophobicContact CG-CZ2 4.42Å; Q198-W200 PolarHBondContact O-N 3.3Å
201L70.1Confident76.3Confident51 Ų5180.1 Ų80.127%0.26739%0.394SS..SBendtrans-138150.2-173.8-69.8165.3000109.4Q199 E203 L207 V208 A211Q199-L201 PolarHBondContact O-N 2.88Å; L201-E203 PolarHBondContact O-N 3.34Å; L201-L207 HydrophobicContact CD1-CB 3.89Å; L201-L207 HydrophobicContact CD2-CB 3.91Å; L201-L207 HydrophobicContact CD2-CD1 3.88Å; L201-L207 HydrophobicContact CG-CB 4.43Å; L201-V208 HydrophobicContact CB-CG2 3.58Å; L201-V208 HydrophobicContact CD1-CG2 4.26Å; L201-A211 HydrophobicContact CD1-CB 4.32Å
202P71Confident76.1Confident90 Ų9079.7 Ų79.758%0.58439%0.39SS*.  trans-57.7136.1175.7-1929.5000111.1D204 S205 V208P202-D204 PolarHBondContact O-N 3.5Å; P202-D204 VanDerWaalsContact O-N 3.1Å; P202-S205 VanDerWaalsContact O-CB 3.29Å; P202-S205 WeakPolarHBondContact O-CB 2.87Å; P202-S205 PolarHBondContact O-N 3.35Å; P202-V208 WeakPolarHBondContact O-CG2 3.11Å
203E59.5Low76.3Confident120 Ų12076.8 Ų76.856%0.56138%0.382SS*.THydrogen-bonded Turntrans-60.7-25.2-168.4-66-174.9173.500114.4Q199 L201Q199-E203 PolarHBondContact NE2-OE1 2.9Å; L201-E203 PolarHBondContact O-N 3.34Å
204D62.3Low76.3Confident171 Ų17176.5 Ų76.591%0.91437%0.372SS*.THydrogen-bonded Turntrans-100.57.4176.7-76.8-34.7000114.3P202P202-D204 PolarHBondContact O-N 3.5Å; P202-D204 VanDerWaalsContact O-N 3.1Å
205S71.4Confident76.5Confident28 Ų2874 Ų7420%0.19637%0.367CS..  trans-78.9135-179.5-168.10000111.6P202 L207 V208P202-S205 VanDerWaalsContact O-CB 3.29Å; P202-S205 WeakPolarHBondContact O-CB 2.87Å; P202-S205 PolarHBondContact O-N 3.35Å; S205-L207 PolarHBondContact O-N 2.84Å; S205-L207 PolarHBondContact OG-N 3.46Å; S205-V208 WeakPolarHBondContact O-CB 3.34Å; S205-V208 PolarHBondContact O-N 3.19Å
206W71.9Confident76.6Confident147 Ų14773.8 Ų73.856%0.55737%0.366SS*.Hα-helixtrans-52.6-24.9168.868.8-85.2000112.8V208 A209 L210W206-V208 VanDerWaalsContact C-N 3.27Å; W206-V208 PolarHBondContact O-N 2.97Å; W206-A209 PolarHBondContact O-N 3.12Å; W206-L210 HydrophobicContact CE3-CB 4.42Å; W206-L210 HydrophobicContact CE3-CD2 4.49Å; W206-L210 HydrophobicContact CH2-CD2 4.47Å; W206-L210 HydrophobicContact CZ3-CD2 3.8Å; W206-L210 PolarHBondContact O-N 2.88Å
207L75.5Confident76.9Confident60 Ų6071 Ų7131%0.31435%0.354SS..Hα-helixtrans-61-33.3175.4-65.6173.5000112.9L201 S205 L210 A211L201-L207 HydrophobicContact CD1-CB 3.89Å; L201-L207 HydrophobicContact CD2-CB 3.91Å; L201-L207 HydrophobicContact CD2-CD1 3.88Å; L201-L207 HydrophobicContact CG-CB 4.43Å; S205-L207 PolarHBondContact O-N 2.84Å; S205-L207 PolarHBondContact OG-N 3.46Å; L207-L210 PolarHBondContact O-N 2.83Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 3.48Å
208V79.1Confident77.3Confident3 Ų366.7 Ų66.72%0.01834%0.339CS..Hα-helixtrans-66.4-45.4176.2173.80000110.2K192 V195 Q196 L201 P202 S205 W206 L210 A211 G212K192-V208 HydrophobicContact CG-CG1 4.49Å; V195-V208 HydrophobicContact CG1-CG1 4Å; Q196-V208 HydrophobicContact CG-CG1 3.59Å; L201-V208 HydrophobicContact CB-CG2 3.58Å; L201-V208 HydrophobicContact CD1-CG2 4.26Å; P202-V208 WeakPolarHBondContact O-CG2 3.11Å; S205-V208 WeakPolarHBondContact O-CB 3.34Å; S205-V208 PolarHBondContact O-N 3.19Å; W206-V208 VanDerWaalsContact C-N 3.27Å; W206-V208 PolarHBondContact O-N 2.97Å; V208-L210 VanDerWaalsContact C-N 3.3Å; V208-L210 PolarHBondContact O-N 3.41Å; V208-A211 PolarHBondContact O-N 3.42Å; V208-G212 PolarHBondContact O-N 2.93Å
209A77.3Confident77.8Confident32 Ų3264.9 Ų64.926%0.26434%0.337SS..Hα-helixtrans-64.2-38.4176.500000111.3W206 G213W206-A209 PolarHBondContact O-N 3.12Å; A209-G213 PolarHBondContact O-N 2.81Å
210L80.8Confident78.6Confident26 Ų2658.6 Ų58.614%0.13631%0.309CS..Hα-helixtrans-65.1-51.1175.2-178.170.1000111.8W206 L207 V208 G212 G213 M214 I283W206-L210 HydrophobicContact CE3-CB 4.42Å; W206-L210 HydrophobicContact CE3-CD2 4.49Å; W206-L210 HydrophobicContact CH2-CD2 4.47Å; W206-L210 HydrophobicContact CZ3-CD2 3.8Å; W206-L210 PolarHBondContact O-N 2.88Å; L207-L210 PolarHBondContact O-N 2.83Å; V208-L210 VanDerWaalsContact C-N 3.3Å; V208-L210 PolarHBondContact O-N 3.41Å; L210-G212 PolarHBondContact O-N 3.48Å; L210-G213 CarbonylContact O-C 3.51Å; L210-G213 WeakPolarHBondContact O-CA 3.42Å; L210-G213 PolarHBondContact O-N 3.41Å; L210-G213 VanDerWaalsContact O-N 3.15Å; L210-M214 HydrophobicContact CD1-CG 4.47Å; L210-M214 HydrophobicContact CG-CG 4.46Å; L210-M214 VanDerWaalsContact O-CG 3.3Å; L210-M214 WeakPolarHBondContact O-CG 3.25Å; L210-M214 PolarHBondContact O-N 3.26Å; L210-I283 HydrophobicContact CD1-CD1 4.31Å; L210-I283 HydrophobicContact CD1-CG1 3.53Å; L210-I283 HydrophobicContact CD2-CD1 4.37Å; L210-I283 HydrophobicContact CD2-CG1 4.16Å; L210-I283 HydrophobicContact CG-CG1 4.47Å
211A83Confident79.5Confident29 Ų2950.1 Ų50.124%0.2428%0.277CS..Hα-helixtrans-62.1-45.2-179.500000111.5V195 L201 L207 V208 G213 M214 I215V195-A211 HydrophobicContact CG1-CB 4.11Å; V195-A211 HydrophobicContact CG2-CB 4.28Å; L201-A211 HydrophobicContact CD1-CB 4.32Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 3.48Å; V208-A211 PolarHBondContact O-N 3.42Å; A211-G213 VanDerWaalsContact C-N 3.3Å; A211-G213 PolarHBondContact O-N 3.21Å; A211-M214 PolarHBondContact O-N 3.26Å; A211-I215 WeakPolarHBondContact O-CG1 3.31Å; A211-I215 PolarHBondContact O-N 3Å
212G83.1Confident80.5Confident0 Ų050.8 Ų50.80%028%0.283CS..Hα-helixtrans-60.4-40.6173.100000112A191 V208 L210 I215 S216A191-G212 WeakPolarHBondContact CB-O 3.25Å; V208-G212 PolarHBondContact O-N 2.93Å; L210-G212 PolarHBondContact O-N 3.48Å; G212-I215 PolarHBondContact O-N 3.01Å; G212-S216 WeakPolarHBondContact O-CB 3.39Å; G212-S216 PolarHBondContact O-N 2.75Å
213G83.4Confident81.5Confident17 Ų1748.2 Ų48.218%0.17527%0.27CS..Hα-helixtrans-62.3-42.3174.200000113.5A209 L210 A211 S217A209-G213 PolarHBondContact O-N 2.81Å; L210-G213 CarbonylContact O-C 3.51Å; L210-G213 WeakPolarHBondContact O-CA 3.42Å; L210-G213 PolarHBondContact O-N 3.41Å; L210-G213 VanDerWaalsContact O-N 3.15Å; A211-G213 VanDerWaalsContact C-N 3.3Å; A211-G213 PolarHBondContact O-N 3.21Å; G213-S217 WeakPolarHBondContact O-CB 3.39Å; G213-S217 PolarHBondContact O-N 2.84Å; G213-S217 PolarHBondContact O-OG 2.92Å
214M85.1Confident82.9Confident49 Ų4943.6 Ų43.624%0.24125%0.248CC..Hα-helixtrans-67.8-40.1178.2-70.4-64-69.600112.1L210 A211 S217 G279L210-M214 HydrophobicContact CD1-CG 4.47Å; L210-M214 HydrophobicContact CG-CG 4.46Å; L210-M214 VanDerWaalsContact O-CG 3.3Å; L210-M214 WeakPolarHBondContact O-CG 3.25Å; L210-M214 PolarHBondContact O-N 3.26Å; A211-M214 PolarHBondContact O-N 3.26Å; M214-S217 WeakPolarHBondContact O-CB 3.47Å; M214-S217 PolarHBondContact O-N 3.07Å; M214-G279 VanDerWaalsContact SD-CA 3.52Å
215I86.3Confident84.3Confident69 Ų6935.4 Ų35.435%0.35421%0.205SC..Hα-helixtrans-66.9-48.8175.5-66163.1000110.1A191 W194 V195 A211 G212 S217 I218A191-I215 HydrophobicContact CB-CB 4.27Å; A191-I215 HydrophobicContact CB-CG2 4.12Å; W194-I215 HydrophobicContact CE3-CD1 3.81Å; W194-I215 HydrophobicContact CZ3-CD1 3.56Å; V195-I215 HydrophobicContact CG2-CD1 3.6Å; A211-I215 WeakPolarHBondContact O-CG1 3.31Å; A211-I215 PolarHBondContact O-N 3Å; G212-I215 PolarHBondContact O-N 3.01Å; I215-S217 PolarHBondContact O-N 3.41Å; I215-I218 WeakPolarHBondContact O-CB 3.03Å; I215-I218 PolarHBondContact O-N 2.77Å; I215-I218 VanDerWaalsContact O-N 3.14Å
216S86.6Confident85.2Confident4 Ų435 Ų353%0.02820%0.201CC..Hα-helixtrans-56.5-37.4174.8178.80000111.7T187 F188 G212 I218 A219 V220T187-S216 PolarHBondContact OG1-OG 3.39Å; F188-S216 WeakPolarHBondContact CA-OG 3.12Å; F188-S216 PolarHBondContact N-OG 2.92Å; G212-S216 WeakPolarHBondContact O-CB 3.39Å; G212-S216 PolarHBondContact O-N 2.75Å; S216-I218 PolarHBondContact O-N 2.6Å; S216-A219 PolarHBondContact O-N 3.43Å; S216-A219 VanDerWaalsContact O-N 3.15Å; S216-V220 WeakPolarHBondContact O-CG2 3.44Å; S216-V220 PolarHBondContact O-N 3.46Å
217S86.8Confident86.1Confident14 Ų1430.4 Ų30.410%0.09819%0.185CC..Hα-helixtrans-59.9-29.3180-73.60000113.4G213 M214 I215 V221 L278G213-S217 WeakPolarHBondContact O-CB 3.39Å; G213-S217 PolarHBondContact O-N 2.84Å; G213-S217 PolarHBondContact O-OG 2.92Å; M214-S217 WeakPolarHBondContact O-CB 3.47Å; M214-S217 PolarHBondContact O-N 3.07Å; I215-S217 PolarHBondContact O-N 3.41Å; S217-V221 VanDerWaalsContact O-CB 3.28Å; S217-V221 WeakPolarHBondContact O-CB 3.44Å; S217-V221 WeakPolarHBondContact O-CG2 3.45Å; S217-V221 PolarHBondContact O-N 3.42Å; S217-L278 WeakPolarHBondContact OG-CD2 3.45Å
218I89.8Confident86.8Confident89 Ų8927.6 Ų27.646%0.45617%0.17SC..Hα-helixtrans-63.1-50175.5-61173.7000109.8I215 S216 V220 V221 V222 Y275I215-I218 WeakPolarHBondContact O-CB 3.03Å; I215-I218 PolarHBondContact O-N 2.77Å; I215-I218 VanDerWaalsContact O-N 3.14Å; S216-I218 PolarHBondContact O-N 2.6Å; I218-V220 PolarHBondContact O-N 3.38Å; I218-V221 PolarHBondContact O-N 3.12Å; I218-V222 WeakPolarHBondContact O-CG2 3.45Å; I218-V222 PolarHBondContact O-N 3.45Å; I218-Y275 HydrophobicContact CD1-CE2 4.47Å; I218-Y275 HydrophobicContact CG1-CD2 4.17Å; I218-Y275 HydrophobicContact CG1-CE2 3.48Å; I218-Y275 VanDerWaalsContact CG1-CE2 3.48Å
219A89Confident87.2Confident41 Ų4127.4 Ų27.434%0.33917%0.169SC..Hα-helixtrans-64.2-41.3179.600000111.9T187 S216 V221 V222 A223T187-A219 HydrophobicContact CG2-CB 3.7Å; S216-A219 PolarHBondContact O-N 3.43Å; S216-A219 VanDerWaalsContact O-N 3.15Å; A219-V221 PolarHBondContact O-N 2.89Å; A219-V222 PolarHBondContact O-N 3.37Å; A219-A223 WeakPolarHBondContact O-CB 3.25Å; A219-A223 PolarHBondContact O-N 3.26Å
220V89Confident87.8Confident9 Ų926 Ų266%0.05516%0.157CC..Hα-helixtrans-58.8-49174.7175.90000111A183 Q184 S216 I218 V222 A223 M224A183-V220 HydrophobicContact CB-CB 4.5Å; A183-V220 HydrophobicContact CB-CG2 4.1Å; Q184-V220 VanDerWaalsContact CA-CG2 3.45Å; Q184-V220 HydrophobicContact CB-CG2 3.76Å; Q184-V220 HydrophobicContact CG-CG2 4.46Å; S216-V220 WeakPolarHBondContact O-CG2 3.44Å; S216-V220 PolarHBondContact O-N 3.46Å; I218-V220 PolarHBondContact O-N 3.38Å; V220-V222 PolarHBondContact O-N 3.44Å; V220-A223 PolarHBondContact O-N 3.4Å; V220-M224 WeakPolarHBondContact O-CB 3.34Å; V220-M224 PolarHBondContact O-N 3.1Å
221V89.6Confident88.2Confident4 Ų424.8 Ų24.82%0.02415%0.151CC..Hα-helixtrans-64.9-42.1-178.5168.30000110.5S217 I218 A219 A223 M224 T225 L271 A274 Y275 L278S217-V221 VanDerWaalsContact O-CB 3.28Å; S217-V221 WeakPolarHBondContact O-CB 3.44Å; S217-V221 WeakPolarHBondContact O-CG2 3.45Å; S217-V221 PolarHBondContact O-N 3.42Å; I218-V221 PolarHBondContact O-N 3.12Å; A219-V221 PolarHBondContact O-N 2.89Å; V221-A223 PolarHBondContact O-N 3.22Å; V221-M224 PolarHBondContact O-N 3.39Å; V221-T225 VanDerWaalsContact O-CB 3.28Å; V221-T225 WeakPolarHBondContact O-CB 3.45Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 PolarHBondContact O-OG1 3.21Å; V221-L271 HydrophobicContact CG1-CD1 3.53Å; V221-L271 HydrophobicContact CG1-CG 4.12Å; V221-A274 HydrophobicContact CG1-CB 3.97Å; V221-Y275 HydrophobicContact CG2-CD2 4.49Å; V221-L278 HydrophobicContact CG2-CD2 3.78Å
222V91.2Very high88.5Confident65 Ų6523.4 Ų23.439%0.39414%0.139SC..Hα-helixtrans-60.5-44.1175.8170.70000111.8I218 A219 V220 P226 Y268 L271I218-V222 WeakPolarHBondContact O-CG2 3.45Å; I218-V222 PolarHBondContact O-N 3.45Å; A219-V222 PolarHBondContact O-N 3.37Å; V220-V222 PolarHBondContact O-N 3.44Å; V222-P226 WeakPolarHBondContact O-CD 3.44Å; V222-Y268 HydrophobicContact CG1-CE1 4.32Å; V222-L271 HydrophobicContact CG2-CD1 4.28Å
223A90.4Very high88.7Confident36 Ų3623.4 Ų23.430%0.29814%0.139SC..Hα-helixtrans-70.9-37.5179.600000113V179 A183 A219 V220 V221 P226V179-A223 HydrophobicContact CG1-CB 4Å; A183-A223 HydrophobicContact CB-CB 4.1Å; A219-A223 WeakPolarHBondContact O-CB 3.25Å; A219-A223 PolarHBondContact O-N 3.26Å; V220-A223 PolarHBondContact O-N 3.4Å; V221-A223 PolarHBondContact O-N 3.22Å; A223-P226 WeakPolarHBondContact O-CD 3.31Å; A223-P226 WeakPolarHBondContact O-CG 3.38Å
224M89.9Confident88.9Confident22 Ų2222.9 Ų22.911%0.10813%0.133CC..Hα-helixtrans-85.4-30.2-173-170-179.366.500113.4R176 V220 V221 P226 F227 D228R176-M224 HydrophobicContact CG-CG 3.81Å; R176-M224 HydrophobicContact CG-SD 4.18Å; V220-M224 WeakPolarHBondContact O-CB 3.34Å; V220-M224 PolarHBondContact O-N 3.1Å; V221-M224 PolarHBondContact O-N 3.39Å; M224-P226 VanDerWaalsContact C-CD 3.5Å; M224-F227 PolarHBondContact O-N 3.22Å; M224-F227 VanDerWaalsContact O-N 3.07Å; M224-D228 WeakPolarHBondContact CG-OD1 3.49Å; M224-D228 PolarHBondContact O-N 3.04Å
225T90.4Very high88.9Confident0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-54.1-42.4-175.7-59.70000115.2V221 F227 D228 V229 L271V221-T225 VanDerWaalsContact O-CB 3.28Å; V221-T225 WeakPolarHBondContact O-CB 3.45Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 PolarHBondContact O-OG1 3.21Å; T225-F227 VanDerWaalsContact C-N 3.3Å; T225-F227 PolarHBondContact O-N 3.37Å; T225-D228 WeakPolarHBondContact O-CB 3.36Å; T225-D228 PolarHBondContact O-N 2.84Å; T225-D228 VanDerWaalsContact O-N 3.14Å; T225-V229 HydrophobicContact CG2-CG2 4.36Å; T225-V229 WeakPolarHBondContact O-CG2 3.36Å; T225-V229 PolarHBondContact O-N 3.48Å; T225-L271 HydrophobicContact CG2-CD1 4.34Å; T225-L271 WeakPolarHBondContact OG1-CD1 3.44Å
226P90.6Very high88.9Confident19 Ų1917.3 Ų17.312%0.12311%0.105CC..Hα-helixtrans-59.4-41.5176.421.5-33.7000112.4V222 A223 M224 V229 V230 L267V222-P226 WeakPolarHBondContact O-CD 3.44Å; A223-P226 WeakPolarHBondContact O-CD 3.31Å; A223-P226 WeakPolarHBondContact O-CG 3.38Å; M224-P226 VanDerWaalsContact C-CD 3.5Å; P226-V229 PolarHBondContact O-N 2.98Å; P226-V230 WeakPolarHBondContact O-CG2 3.32Å; P226-V230 PolarHBondContact O-N 2.87Å; P226-V230 VanDerWaalsContact O-N 3.17Å; P226-L267 WeakPolarHBondContact CA-O 3.45Å; P226-L267 HydrophobicContact CB-CB 4.22Å
227F91.1Very high88.6Confident51 Ų5117.5 Ų17.522%0.22411%0.105CC..Hα-helixtrans-71.1-33.7175.9-62-81.2000112.1P175 R176 V179 M224 T225 S231 L251P175-F227 HydrophobicContact CB-CD1 3.9Å; P175-F227 HydrophobicContact CB-CE1 4.08Å; R176-F227 HydrophobicContact CB-CB 3.83Å; R176-F227 HydrophobicContact CG-CB 4.42Å; V179-F227 HydrophobicContact CB-CD2 4.25Å; V179-F227 HydrophobicContact CB-CE2 4.28Å; V179-F227 HydrophobicContact CG1-CD2 4.16Å; V179-F227 HydrophobicContact CG1-CE2 4.1Å; V179-F227 HydrophobicContact CG2-CD2 4.08Å; V179-F227 HydrophobicContact CG2-CE2 3.72Å; V179-F227 HydrophobicContact CG2-CZ 4.07Å; M224-F227 PolarHBondContact O-N 3.22Å; M224-F227 VanDerWaalsContact O-N 3.07Å; T225-F227 VanDerWaalsContact C-N 3.3Å; T225-F227 PolarHBondContact O-N 3.37Å; F227-S231 WeakPolarHBondContact O-CB 3.46Å; F227-S231 PolarHBondContact O-N 3.03Å; F227-S231 PolarHBondContact O-OG 3.05Å; F227-L251 HydrophobicContact CD1-CD1 4.34Å; F227-L251 HydrophobicContact CE1-CD2 4.46Å
228D89.4Confident88.2Confident0 Ų017.6 Ų17.60%011%0.105CC..Hα-helixtrans-58.4-52.9172.3-74.1-9.3000110.7K31 R176 M224 T225 V230 S231 T232K31-D228 IonicContact NZ-OD2 3.67Å; K31-D228 PolarHBondContact NZ-OD2 3.4Å; R176-D228 WeakPolarHBondContact CD-OD1 3.45Å; R176-D228 WeakPolarHBondContact CG-OD1 3.19Å; R176-D228 IonicContact CZ-OD1 3.53Å; R176-D228 IonicContact NE-OD1 3.71Å; R176-D228 PolarHBondContact NE-OD1 3.36Å; R176-D228 IonicContact NH1-OD1 3.88Å; R176-D228 IonicContact NH2-OD1 2.63Å; M224-D228 WeakPolarHBondContact CG-OD1 3.49Å; M224-D228 PolarHBondContact O-N 3.04Å; T225-D228 WeakPolarHBondContact O-CB 3.36Å; T225-D228 PolarHBondContact O-N 2.84Å; T225-D228 VanDerWaalsContact O-N 3.14Å; D228-V230 VanDerWaalsContact C-N 3.35Å; D228-V230 PolarHBondContact O-N 2.88Å; D228-S231 PolarHBondContact O-N 3.08Å; D228-S231 PolarHBondContact O-OG 3.09Å; D228-T232 WeakPolarHBondContact O-CB 3.4Å; D228-T232 PolarHBondContact O-N 3.03Å; D228-T232 PolarHBondContact O-OG1 3.37Å
229V89.2Confident87.3Confident0 Ų014.3 Ų14.30%09%0.09CC..Hα-helixtrans-59-47-178.3174.60000111Q35 T225 P226 T232 R233 I258 L267 K269Q35-V229 HydrophobicContact CG-CG2 4.03Å; T225-V229 HydrophobicContact CG2-CG2 4.36Å; T225-V229 WeakPolarHBondContact O-CG2 3.36Å; T225-V229 PolarHBondContact O-N 3.48Å; P226-V229 PolarHBondContact O-N 2.98Å; V229-T232 PolarHBondContact O-N 3.26Å; V229-R233 WeakPolarHBondContact O-CG 3.32Å; V229-R233 PolarHBondContact O-N 3Å; V229-R233 VanDerWaalsContact O-N 3.16Å; V229-I258 HydrophobicContact CG1-CD1 4.22Å; V229-L267 WeakPolarHBondContact CG2-O 3.4Å; V229-K269 WeakPolarHBondContact CG2-O 3.24Å
230V89.9Confident86.6Confident2 Ų216.6 Ų16.61%0.01210%0.096CC..Hα-helixtrans-63.2-45.1178.3174.20000110.9P226 D228 R233 L234 L251 C254 M255 I258 L267P226-V230 WeakPolarHBondContact O-CG2 3.32Å; P226-V230 PolarHBondContact O-N 2.87Å; P226-V230 VanDerWaalsContact O-N 3.17Å; D228-V230 VanDerWaalsContact C-N 3.35Å; D228-V230 PolarHBondContact O-N 2.88Å; V230-R233 PolarHBondContact O-N 3.45Å; V230-L234 HydrophobicContact CG1-CD1 3.71Å; V230-L234 HydrophobicContact CG1-CG 4.15Å; V230-L234 WeakPolarHBondContact O-CB 3.35Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 2.93Å; V230-L251 HydrophobicContact CB-CD1 4.18Å; V230-L251 HydrophobicContact CG1-CD1 3.42Å; V230-L251 VanDerWaalsContact CG1-CD1 3.42Å; V230-L251 HydrophobicContact CG1-CG 4.33Å; V230-C254 HydrophobicContact CG1-CB 3.85Å; V230-M255 HydrophobicContact CG2-CB 4.33Å; V230-I258 HydrophobicContact CG2-CD1 3.99Å; V230-L267 HydrophobicContact CG2-CD2 4.28Å
231S89.2Confident85.4Confident0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-60-49.2178.872.20000111.4R176 F227 D228 R233 L234 Y235R176-S231 PolarHBondContact NH1-OG 3.25Å; F227-S231 WeakPolarHBondContact O-CB 3.46Å; F227-S231 PolarHBondContact O-N 3.03Å; F227-S231 PolarHBondContact O-OG 3.05Å; D228-S231 PolarHBondContact O-N 3.08Å; D228-S231 PolarHBondContact O-OG 3.09Å; S231-R233 VanDerWaalsContact C-N 3.29Å; S231-R233 PolarHBondContact O-N 3.47Å; S231-L234 PolarHBondContact O-N 3.35Å; S231-Y235 WeakPolarHBondContact O-CD2 3.5Å; S231-Y235 PolarHBondContact O-N 2.73Å
232T87.8Confident84Confident0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-59.6-39.7-178.5-58.90000111.7T32 Q35 L36 D228 V229 N236T32-T232 HydrophobicContact CG2-CG2 3.91Å; Q35-T232 HydrophobicContact CB-CG2 4.22Å; Q35-T232 PolarHBondContact OE1-OG1 3.27Å; L36-T232 HydrophobicContact CD1-CG2 4.46Å; L36-T232 HydrophobicContact CD2-CG2 4.03Å; L36-T232 HydrophobicContact CG-CG2 4Å; D228-T232 WeakPolarHBondContact O-CB 3.4Å; D228-T232 PolarHBondContact O-N 3.03Å; D228-T232 PolarHBondContact O-OG1 3.37Å; V229-T232 PolarHBondContact O-N 3.26Å; T232-N236 WeakPolarHBondContact O-CB 3.3Å; T232-N236 PolarHBondContact O-N 2.98Å
233R88.2Confident82.7Confident0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-71.8-41.5176.5-70.8169.6174.6-141.74.9112.9Q35 L36 V229 V230 S231 Y235 N236 Q237 Y248 E262Q35-R233 PolarHBondContact O-NE 3.34Å; Q35-R233 VanDerWaalsContact O-NE 3.1Å; Q35-R233 PolarHBondContact O-NH2 3.14Å; L36-R233 HydrophobicContact CD2-CG 3.95Å; V229-R233 WeakPolarHBondContact O-CG 3.32Å; V229-R233 PolarHBondContact O-N 3Å; V229-R233 VanDerWaalsContact O-N 3.16Å; V230-R233 PolarHBondContact O-N 3.45Å; S231-R233 VanDerWaalsContact C-N 3.29Å; S231-R233 PolarHBondContact O-N 3.47Å; R233-Y235 VanDerWaalsContact C-N 3.26Å; R233-Y235 PolarHBondContact O-N 3.03Å; R233-N236 PolarHBondContact O-N 2.73Å; R233-Q237 WeakPolarHBondContact O-CB 3.45Å; R233-Q237 PolarHBondContact O-N 2.97Å; R233-Y248 HydrophobicContact CB-CE2 4.15Å; R233-Y248 PolarHBondContact NH1-OH 3.36Å; R233-E262 IonicContact CZ-OE1 2.68Å; R233-E262 VanDerWaalsContact CZ-OE1 3.26Å; R233-E262 IonicContact CZ-OE2 2.6Å; R233-E262 IonicContact NH1-OE1 3.13Å; R233-E262 PolarHBondContact NH1-OE1 3.47Å; R233-E262 IonicContact NH1-OE2 2.75Å; R233-E262 VanDerWaalsContact NH2-CD 3.31Å; R233-E262 IonicContact NH2-OE1 2.95Å; R233-E262 PolarHBondContact NH2-OE1 3.49Å; R233-E262 VanDerWaalsContact NH2-OE1 3.07Å; R233-E262 IonicContact NH2-OE2 3.26Å; R233-E262 PolarHBondContact NH2-OE2 3Å
234L86.9Confident81.6Confident7 Ų737 Ų374%0.03718%0.184CC..Hα-helixtrans-63.5-32.4175.7-73.7175.6000112.9V230 S231 Q237 Y248 C254V230-L234 HydrophobicContact CG1-CD1 3.71Å; V230-L234 HydrophobicContact CG1-CG 4.15Å; V230-L234 WeakPolarHBondContact O-CB 3.35Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 2.93Å; S231-L234 PolarHBondContact O-N 3.35Å; L234-Q237 VanDerWaalsContact CD2-NE2 3.3Å; L234-Q237 WeakPolarHBondContact O-CG 3.37Å; L234-Q237 PolarHBondContact O-NE2 3.28Å; L234-Y248 HydrophobicContact CD2-CD2 4.33Å; L234-Y248 HydrophobicContact CD2-CG 4.27Å; L234-C254 HydrophobicContact CD2-CB 4.22Å; L234-C254 HydrophobicContact CG-CB 4.47Å
235Y85.5Confident80.7Confident1 Ų137.1 Ų37.10%0.00419%0.191CC..Hα-helixtrans-76.4-34.3174-82.2-68.9000112.8S122 Y125 L126 T129 Q168 A173 S231 R233S122-Y235 PolarHBondContact OG-OH 3.24Å; Y125-Y235 HydrophobicContact CD1-CD1 4.41Å; Y125-Y235 AromaticContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CE1 4.16Å; Y125-Y235 AromaticContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CG 4.16Å; Y125-Y235 AromaticContact CD1-CZ 3.64Å; Y125-Y235 AromaticContact CE1-CD2 3.57Å; Y125-Y235 HydrophobicContact CE1-CD2 3.57Å; Y125-Y235 AromaticContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CG 4.39Å; L126-Y235 HydrophobicContact CB-CD1 3.65Å; L126-Y235 HydrophobicContact CB-CE1 3.88Å; L126-Y235 HydrophobicContact CD1-CD1 3.59Å; L126-Y235 HydrophobicContact CD1-CE1 4.46Å; L126-Y235 HydrophobicContact CD1-CG 4.41Å; L126-Y235 WeakPolarHBondContact CD1-O 3.41Å; L126-Y235 HydrophobicContact CG-CD1 4.21Å; T129-Y235 WeakPolarHBondContact OG1-CB 3.18Å; Q168-Y235 WeakPolarHBondContact O-CD1 3.34Å; Q168-Y235 WeakPolarHBondContact O-CE1 3.34Å; A173-Y235 HydrophobicContact CB-CE2 3.85Å; A173-Y235 WeakPolarHBondContact CB-OH 3.45Å; S231-Y235 WeakPolarHBondContact O-CD2 3.5Å; S231-Y235 PolarHBondContact O-N 2.73Å; R233-Y235 VanDerWaalsContact C-N 3.26Å; R233-Y235 PolarHBondContact O-N 3.03Å
236N85.8Confident80Confident0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-86.6-22.5-177.7-164.265.2000114.2L36 A133 H143 H145 T232 R233L36-N236 HydrophobicContact CD1-CB 4.02Å; L36-N236 HydrophobicContact CD2-CB 3.57Å; L36-N236 HydrophobicContact CG-CB 4.45Å; A133-N236 WeakPolarHBondContact CB-OD1 3.47Å; H143-N236 PolarHBondContact N-ND2 2.93Å; H143-N236 VanDerWaalsContact N-ND2 3.18Å; H143-N236 PolarHBondContact O-ND2 3.33Å; H143-N236 PolarHBondContact O-OD1 3.42Å; H145-N236 PolarHBondContact NE2-O 3.37Å; T232-N236 WeakPolarHBondContact O-CB 3.3Å; T232-N236 PolarHBondContact O-N 2.98Å; R233-N236 PolarHBondContact O-N 2.73Å
237Q81.1Confident79.4Confident8 Ų844.3 Ų44.34%0.03723%0.225CC..SBendtrans-57.2148.7-175.874.3-179.8-50.800112.6R233 L234 G245 L247 Y248R233-Q237 WeakPolarHBondContact O-CB 3.45Å; R233-Q237 PolarHBondContact O-N 2.97Å; L234-Q237 VanDerWaalsContact CD2-NE2 3.3Å; L234-Q237 WeakPolarHBondContact O-CG 3.37Å; L234-Q237 PolarHBondContact O-NE2 3.28Å; Q237-G245 VanDerWaalsContact OE1-CA 3.29Å; Q237-L247 HydrophobicContact CB-CB 4.35Å; Q237-L247 HydrophobicContact CB-CD1 4.17Å; Q237-L247 HydrophobicContact CB-CG 4.49Å; Q237-Y248 HydrophobicContact CB-CD2 4.37Å; Q237-Y248 PolarHBondContact OE1-O 3.23Å
238P77.7Confident78.9Confident16 Ų1642 Ų4210%0.10422%0.215CC..  trans-70.2145.9170.929.1-30.5000110.4H143 Q246 L247H143-P238 HydrophobicContact CB-CG 4.49Å; P238-Q246 HydrophobicContact CG-CB 4.28Å; P238-Q246 PolarHBondContact O-N 2.99Å; P238-L247 HydrophobicContact CG-CD1 4.44Å; P238-L247 HydrophobicContact CG-CG 4.38Å
239V71.8Confident78.3Confident20 Ų2045.6 Ų45.612%0.12125%0.251CS..BIsolated β-bridgetrans-117.8149.3171.1-78.30000111.6Q161 Q168 R244Q161-V239 HydrophobicContact CG-CG2 3.69Å; Q168-V239 HydrophobicContact CG-CG1 4.01Å; V239-R244 WeakPolarHBondContact CA-O 3.43Å; V239-R244 WeakPolarHBondContact CG1-O 3.47Å
240D72.9Confident78.1Confident88 Ų8846.7 Ų46.747%0.47126%0.263SS..  trans-74.2165.5169.5-160.65.8000111.4A242 G243 R244 Q246D240-A242 PolarHBondContact O-N 3.1Å; D240-G243 PolarHBondContact O-N 3.03Å; D240-R244 PolarHBondContact N-O 2.99Å; D240-Q246 HydrophobicContact CB-CG 4.38Å
241R64Low77.9Confident231 Ų23148.6 Ų48.687%0.87227%0.273SS*.THydrogen-bonded Turntrans-57.7-20.7177.5-70.1-176.2177.6167.7-0.2113.3G243R241-G243 VanDerWaalsContact C-N 3.29Å
242A61.3Low77.8Confident78 Ų7853.3 Ų53.365%0.64530%0.302SS*.THydrogen-bonded Turntrans-83.94.717400000114.2D240 R244D240-A242 PolarHBondContact O-N 3.1Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.32Å
243G62.8Low77.8Confident36 Ų3655.9 Ų55.937%0.37132%0.315SS..SBendtrans74.311.1179.400000114.8D240 R241D240-G243 PolarHBondContact O-N 3.03Å; R241-G243 VanDerWaalsContact C-N 3.29Å
244R67.8Low77.8Confident197 Ų19755.9 Ų55.974%0.74332%0.315SS*.  trans-88.8132.6177.2-67.3-173.7-179.5-173.10.6110.7V239 D240 A242 Q246V239-R244 WeakPolarHBondContact CA-O 3.43Å; V239-R244 WeakPolarHBondContact CG1-O 3.47Å; D240-R244 PolarHBondContact N-O 2.99Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.32Å; R244-Q246 PolarHBondContact O-N 2.85Å
245G72Confident77.8Confident25 Ų2559.1 Ų59.126%0.25833%0.332SS..BIsolated β-bridgetrans-59.6121.4172.700000110.7Q237 L247Q237-G245 VanDerWaalsContact OE1-CA 3.29Å; G245-L247 VanDerWaalsContact C-N 3.3Å
246Q74.8Confident78.1Confident119 Ų11962.2 Ų62.256%0.55635%0.35SS*.SBendtrans-72-29.5-179-67.5179.3-7.200111.8P238 D240 R244P238-Q246 HydrophobicContact CG-CB 4.28Å; P238-Q246 PolarHBondContact O-N 2.99Å; D240-Q246 HydrophobicContact CB-CG 4.38Å; R244-Q246 PolarHBondContact O-N 2.85Å
247L77.7Confident78.2Confident52 Ų5264.9 Ų64.927%0.27236%0.362SS..SBendtrans-94.9-39.4-177.6-61.5-180000111.9L40 Q237 P238 G245 K257L40-L247 HydrophobicContact CD1-CB 4.15Å; L40-L247 HydrophobicContact CD1-CD1 4.47Å; L40-L247 HydrophobicContact CD1-CD2 3.86Å; L40-L247 HydrophobicContact CD1-CG 4.38Å; Q237-L247 HydrophobicContact CB-CB 4.35Å; Q237-L247 HydrophobicContact CB-CD1 4.17Å; Q237-L247 HydrophobicContact CB-CG 4.49Å; P238-L247 HydrophobicContact CG-CD1 4.44Å; P238-L247 HydrophobicContact CG-CG 4.38Å; G245-L247 VanDerWaalsContact C-N 3.3Å; L247-K257 PolarHBondContact O-NZ 2.91Å
248Y81.7Confident78.6Confident3 Ų364.5 Ų64.51%0.01236%0.36CS..  trans-135.7132.7-173.2-51.6-74.3000112.5E39 L40 R233 L234 Q237 G250 D253 C254 K257E39-Y248 WeakPolarHBondContact CG-OH 3.2Å; E39-Y248 WeakPolarHBondContact OE1-CE2 3.33Å; E39-Y248 PolarHBondContact OE1-OH 3.36Å; L40-Y248 HydrophobicContact CD2-CE1 3.68Å; L40-Y248 HydrophobicContact CG-CE1 4.32Å; L40-Y248 WeakPolarHBondContact CG-OH 3.37Å; R233-Y248 HydrophobicContact CB-CE2 4.15Å; R233-Y248 PolarHBondContact NH1-OH 3.36Å; L234-Y248 HydrophobicContact CD2-CD2 4.33Å; L234-Y248 HydrophobicContact CD2-CG 4.27Å; Q237-Y248 HydrophobicContact CB-CD2 4.37Å; Q237-Y248 PolarHBondContact OE1-O 3.23Å; Y248-G250 VanDerWaalsContact C-N 3.33Å; Y248-D253 WeakPolarHBondContact CA-OD2 3.38Å; Y248-C254 VanDerWaalsContact CD1-CA 3.4Å; Y248-C254 HydrophobicContact CD1-CB 3.53Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 VanDerWaalsContact CE1-SG 3.52Å; Y248-C254 HydrophobicContact CG-CB 3.78Å; Y248-K257 HydrophobicContact CD1-CD 3.86Å; Y248-K257 HydrophobicContact CE1-CB 4.2Å; Y248-K257 HydrophobicContact CE1-CD 4.14Å
249G77Confident79.1Confident74 Ų7471 Ų7176%0.76338%0.382SS*.SBendtrans-80.5-10.3175.700000114.5D253G249-D253 PolarHBondContact N-OD2 3.43Å
250G84.1Confident79.8Confident24 Ų2479.9 Ų79.925%0.24741%0.414CS..SBendtrans165.2-172.3-17900000113.6Y248 C254Y248-G250 VanDerWaalsContact C-N 3.33Å; G250-C254 VanDerWaalsContact O-CB 3.26Å; G250-C254 WeakPolarHBondContact O-CB 3.02Å; G250-C254 PolarHBondContact O-N 3.49Å
251L86.1Confident80.5Confident41 Ų4179.8 Ų79.822%0.21541%0.411CS..Hα-helixtrans-58.3-50.5-179.7-178.980000112.3P175 F227 V230 C254 M255P175-L251 HydrophobicContact CB-CD2 4.44Å; P175-L251 HydrophobicContact CG-CD2 4.05Å; F227-L251 HydrophobicContact CD1-CD1 4.34Å; F227-L251 HydrophobicContact CE1-CD2 4.46Å; V230-L251 HydrophobicContact CB-CD1 4.18Å; V230-L251 HydrophobicContact CG1-CD1 3.42Å; V230-L251 VanDerWaalsContact CG1-CD1 3.42Å; V230-L251 HydrophobicContact CG1-CG 4.33Å; L251-C254 PolarHBondContact O-N 2.94Å; L251-M255 WeakPolarHBondContact O-CB 3.32Å; L251-M255 PolarHBondContact O-N 3.5Å
252T86.9Confident81.5Confident100 Ų10069.5 Ų69.561%0.61337%0.373SS*.Hα-helixtrans-67.9-45.3-175.3510000111.7C254 M255 V256T252-C254 PolarHBondContact O-N 3.36Å; T252-M255 PolarHBondContact O-N 2.84Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 3.3Å
253D88.8Confident82.7Confident53 Ų5366.8 Ų66.828%0.28335%0.352SS..Hα-helixtrans-59.9-44.8175.6179.349.6000111.5Y248 G249 V256 K257Y248-D253 WeakPolarHBondContact CA-OD2 3.38Å; G249-D253 PolarHBondContact N-OD2 3.43Å; D253-V256 PolarHBondContact O-N 3.45Å; D253-K257 WeakPolarHBondContact O-CB 3.42Å; D253-K257 WeakPolarHBondContact O-CG 3.39Å; D253-K257 PolarHBondContact O-N 3.44Å; D253-K257 WeakPolarHBondContact OD1-CE 3.22Å; D253-K257 IonicContact OD1-NZ 2.73Å; D253-K257 PolarHBondContact OD1-NZ 3.31Å; D253-K257 WeakPolarHBondContact OD2-CE 3.41Å; D253-K257 IonicContact OD2-NZ 3.86Å; D253-K257 PolarHBondContact OD2-NZ 2.87Å
254C86.6Confident83.8Confident0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-60.2-48.5175.3-174.20000112V230 L234 Y248 G250 L251 T252 V256 K257 I258V230-C254 HydrophobicContact CG1-CB 3.85Å; L234-C254 HydrophobicContact CD2-CB 4.22Å; L234-C254 HydrophobicContact CG-CB 4.47Å; Y248-C254 VanDerWaalsContact CD1-CA 3.4Å; Y248-C254 HydrophobicContact CD1-CB 3.53Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 VanDerWaalsContact CE1-SG 3.52Å; Y248-C254 HydrophobicContact CG-CB 3.78Å; G250-C254 VanDerWaalsContact O-CB 3.26Å; G250-C254 WeakPolarHBondContact O-CB 3.02Å; G250-C254 PolarHBondContact O-N 3.49Å; L251-C254 PolarHBondContact O-N 2.94Å; T252-C254 PolarHBondContact O-N 3.36Å; C254-V256 VanDerWaalsContact C-N 3.35Å; C254-V256 PolarHBondContact O-N 2.97Å; C254-K257 PolarHBondContact O-N 2.88Å; C254-I258 VanDerWaalsContact O-CG1 3.22Å; C254-I258 WeakPolarHBondContact O-CG1 3.31Å; C254-I258 PolarHBondContact O-N 2.85Å
255M88.6Confident84.7Confident76 Ų7664.2 Ų64.237%0.37435%0.347SS..Hα-helixtrans-61-42.7179.1-171.2168.165.600112.4V230 L251 T252 W259 L267V230-M255 HydrophobicContact CG2-CB 4.33Å; L251-M255 WeakPolarHBondContact O-CB 3.32Å; L251-M255 PolarHBondContact O-N 3.5Å; T252-M255 PolarHBondContact O-N 2.84Å; M255-W259 WeakPolarHBondContact O-CB 3.28Å; M255-W259 PolarHBondContact O-N 2.92Å; M255-L267 HydrophobicContact CG-CD1 4.5Å; M255-L267 HydrophobicContact CG-CD2 4.44Å
256V90.5Very high85.3Confident65 Ų6563.1 Ų63.139%0.39434%0.336SS..Hα-helixtrans-66.5-43.1178171.90000111.4T252 D253 C254 W259 R260T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 3.3Å; D253-V256 PolarHBondContact O-N 3.45Å; C254-V256 VanDerWaalsContact C-N 3.35Å; C254-V256 PolarHBondContact O-N 2.97Å; V256-W259 PolarHBondContact O-N 3.31Å; V256-R260 HydrophobicContact CG1-CG 4.42Å; V256-R260 WeakPolarHBondContact O-CB 3.37Å; V256-R260 WeakPolarHBondContact O-CG 3.41Å; V256-R260 PolarHBondContact O-N 3.16Å
257K89.1Confident85.9Confident57 Ų5758 Ų5825%0.24831%0.312CS..Hα-helixtrans-63.4-44.4177.3-78.5170.4173.2167.30111.9L40 L247 Y248 D253 C254 W259 R260 Q261L40-K257 HydrophobicContact CD2-CB 4.05Å; L40-K257 HydrophobicContact CD2-CD 4.48Å; L247-K257 PolarHBondContact O-NZ 2.91Å; Y248-K257 HydrophobicContact CD1-CD 3.86Å; Y248-K257 HydrophobicContact CE1-CB 4.2Å; Y248-K257 HydrophobicContact CE1-CD 4.14Å; D253-K257 WeakPolarHBondContact O-CB 3.42Å; D253-K257 WeakPolarHBondContact O-CG 3.39Å; D253-K257 PolarHBondContact O-N 3.44Å; D253-K257 WeakPolarHBondContact OD1-CE 3.22Å; D253-K257 IonicContact OD1-NZ 2.73Å; D253-K257 PolarHBondContact OD1-NZ 3.31Å; D253-K257 WeakPolarHBondContact OD2-CE 3.41Å; D253-K257 IonicContact OD2-NZ 3.86Å; D253-K257 PolarHBondContact OD2-NZ 2.87Å; C254-K257 PolarHBondContact O-N 2.88Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.4Å; K257-R260 PolarHBondContact O-N 3.12Å; K257-Q261 VanDerWaalsContact O-CB 3.31Å; K257-Q261 WeakPolarHBondContact O-CB 3.47Å; K257-Q261 WeakPolarHBondContact O-CG 3.27Å; K257-Q261 PolarHBondContact O-N 3.21Å
258I87.9Confident86.4Confident0 Ų060.6 Ų60.60%032%0.319CS..Hα-helixtrans-58.7-48.4175.4-66.8170.9000110.1V229 V230 C254 R260 E262 G263 A266 L267V229-I258 HydrophobicContact CG1-CD1 4.22Å; V230-I258 HydrophobicContact CG2-CD1 3.99Å; C254-I258 VanDerWaalsContact O-CG1 3.22Å; C254-I258 WeakPolarHBondContact O-CG1 3.31Å; C254-I258 PolarHBondContact O-N 2.85Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 3.22Å; I258-E262 WeakPolarHBondContact O-CB 3.41Å; I258-E262 PolarHBondContact O-N 3.13Å; I258-G263 PolarHBondContact O-N 3.33Å; I258-G263 VanDerWaalsContact O-N 3.13Å; I258-A266 HydrophobicContact CG2-CB 3.83Å; I258-L267 HydrophobicContact CB-CD2 4.15Å; I258-L267 HydrophobicContact CD1-CD2 4.13Å; I258-L267 HydrophobicContact CG2-CD2 3.7Å; I258-L267 HydrophobicContact CG2-CG 3.89Å
259W88.8Confident86.4Confident151 Ų15162.2 Ų62.257%0.57233%0.326SS*.Hα-helixtrans-59-44.8-179.9-171.5-75.6000112.2M255 V256 K257 G263 P264 L267M255-W259 WeakPolarHBondContact O-CB 3.28Å; M255-W259 PolarHBondContact O-N 2.92Å; V256-W259 PolarHBondContact O-N 3.31Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.4Å; W259-G263 VanDerWaalsContact O-CA 3.31Å; W259-G263 WeakPolarHBondContact O-CA 3.44Å; W259-G263 PolarHBondContact O-N 3.33Å; W259-P264 HydrophobicContact CD2-CB 4.25Å; W259-P264 HydrophobicContact CE3-CB 3.98Å; W259-P264 HydrophobicContact CH2-CB 3.73Å; W259-P264 HydrophobicContact CZ2-CB 3.99Å; W259-P264 HydrophobicContact CZ3-CB 3.73Å; W259-L267 HydrophobicContact CE3-CD1 3.85Å; W259-L267 HydrophobicContact CZ3-CD1 4.31Å
260R86.9Confident86.6Confident207 Ų20759.3 Ų59.378%0.78130%0.296SS*.Hα-helixtrans-76.2-37.9-176.4-71.5-178.2177.7-168.9-0113.7V256 K257 I258V256-R260 HydrophobicContact CG1-CG 4.42Å; V256-R260 WeakPolarHBondContact O-CB 3.37Å; V256-R260 WeakPolarHBondContact O-CG 3.41Å; V256-R260 PolarHBondContact O-N 3.16Å; K257-R260 PolarHBondContact O-N 3.12Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 3.22Å
261Q87Confident86.7Confident86 Ų8661.1 Ų61.140%0.40230%0.3SS..Hα-helixtrans-96.6-37.5-171-61-179.614.100113.1L40 A42 K257L40-Q261 PolarHBondContact O-OE1 3.36Å; A42-Q261 WeakPolarHBondContact CA-O 3.19Å; K257-Q261 VanDerWaalsContact O-CB 3.31Å; K257-Q261 WeakPolarHBondContact O-CB 3.47Å; K257-Q261 WeakPolarHBondContact O-CG 3.27Å; K257-Q261 PolarHBondContact O-N 3.21Å
262E84.8Confident86.6Confident16 Ų1661.8 Ų61.88%0.07531%0.311CS..THydrogen-bonded Turntrans-106.1-19.9-176.4-55.9-173.6-148.400113.2G38 L40 R233 I258 A266 K269G38-E262 VanDerWaalsContact O-OE1 3.04Å; L40-E262 PolarHBondContact N-OE1 2.56Å; R233-E262 IonicContact CZ-OE1 2.68Å; R233-E262 VanDerWaalsContact CZ-OE1 3.26Å; R233-E262 IonicContact CZ-OE2 2.6Å; R233-E262 IonicContact NH1-OE1 3.13Å; R233-E262 PolarHBondContact NH1-OE1 3.47Å; R233-E262 IonicContact NH1-OE2 2.75Å; R233-E262 VanDerWaalsContact NH2-CD 3.31Å; R233-E262 IonicContact NH2-OE1 2.95Å; R233-E262 PolarHBondContact NH2-OE1 3.49Å; R233-E262 VanDerWaalsContact NH2-OE1 3.07Å; R233-E262 IonicContact NH2-OE2 3.26Å; R233-E262 PolarHBondContact NH2-OE2 3Å; I258-E262 WeakPolarHBondContact O-CB 3.41Å; I258-E262 PolarHBondContact O-N 3.13Å; E262-A266 HydrophobicContact CB-CB 3.38Å; E262-A266 HydrophobicContact CG-CB 4.42Å; E262-A266 WeakPolarHBondContact OE2-CB 3.43Å; E262-K269 IonicContact OE2-NZ 3.07Å; E262-K269 PolarHBondContact OE2-NZ 3.14Å
263G86.5Confident86.5Confident21 Ų2157.2 Ų57.222%0.21628%0.284CS..  trans91.6166.7-17700000113.7I258 W259 L265 A266I258-G263 PolarHBondContact O-N 3.33Å; I258-G263 VanDerWaalsContact O-N 3.13Å; W259-G263 VanDerWaalsContact O-CA 3.31Å; W259-G263 WeakPolarHBondContact O-CA 3.44Å; W259-G263 PolarHBondContact O-N 3.33Å; G263-L265 VanDerWaalsContact C-N 3.29Å; G263-L265 PolarHBondContact O-N 3.15Å; G263-A266 VanDerWaalsContact O-CB 3.24Å; G263-A266 WeakPolarHBondContact O-CB 3.31Å; G263-A266 PolarHBondContact O-N 3.01Å
264P86.1Confident86.3Confident61 Ų6154.8 Ų54.840%0.39627%0.271SS..G310 helixtrans-64-31.1-173.424.6-34.9000113.5W259 A266 L267W259-P264 HydrophobicContact CD2-CB 4.25Å; W259-P264 HydrophobicContact CE3-CB 3.98Å; W259-P264 HydrophobicContact CH2-CB 3.73Å; W259-P264 HydrophobicContact CZ2-CB 3.99Å; W259-P264 HydrophobicContact CZ3-CB 3.73Å; P264-A266 PolarHBondContact O-N 3.44Å; P264-L267 PolarHBondContact O-N 3.18Å
265L86.5Confident86.3Confident117 Ų11758.1 Ų58.161%0.61328%0.284SS*.G310 helixtrans-66.7-18.9177.3-66.8174.9000112.9G263 L267 Y268G263-L265 VanDerWaalsContact C-N 3.29Å; G263-L265 PolarHBondContact O-N 3.15Å; L265-L267 VanDerWaalsContact C-N 3.29Å; L265-L267 PolarHBondContact O-N 3.03Å; L265-Y268 PolarHBondContact O-N 3Å
266A84.5Confident86.2Confident3 Ų358.1 Ų58.13%0.02529%0.285CS..G310 helixtrans-68.4-29.1177.900000112.7I258 E262 G263 P264 Y268 K269I258-A266 HydrophobicContact CG2-CB 3.83Å; E262-A266 HydrophobicContact CB-CB 3.38Å; E262-A266 HydrophobicContact CG-CB 4.42Å; E262-A266 WeakPolarHBondContact OE2-CB 3.43Å; G263-A266 VanDerWaalsContact O-CB 3.24Å; G263-A266 WeakPolarHBondContact O-CB 3.31Å; G263-A266 PolarHBondContact O-N 3.01Å; P264-A266 PolarHBondContact O-N 3.44Å; A266-Y268 PolarHBondContact O-N 2.91Å; A266-K269 HydrophobicContact CB-CD 4.24Å; A266-K269 VanDerWaalsContact O-CB 3.31Å; A266-K269 WeakPolarHBondContact O-CB 3.39Å; A266-K269 VanDerWaalsContact O-CG 3.3Å; A266-K269 WeakPolarHBondContact O-CG 3.2Å; A266-K269 PolarHBondContact O-N 3.09Å; A266-K269 VanDerWaalsContact O-N 3.15Å
267L87.3Confident85.9Confident10 Ų1056.6 Ų56.65%0.05227%0.272CS..G310 helixtrans-66.4-19.3175.3-69170.9000113P226 V229 V230 M255 I258 W259 P264 L265P226-L267 WeakPolarHBondContact CA-O 3.45Å; P226-L267 HydrophobicContact CB-CB 4.22Å; V229-L267 WeakPolarHBondContact CG2-O 3.4Å; V230-L267 HydrophobicContact CG2-CD2 4.28Å; M255-L267 HydrophobicContact CG-CD1 4.5Å; M255-L267 HydrophobicContact CG-CD2 4.44Å; I258-L267 HydrophobicContact CB-CD2 4.15Å; I258-L267 HydrophobicContact CD1-CD2 4.13Å; I258-L267 HydrophobicContact CG2-CD2 3.7Å; I258-L267 HydrophobicContact CG2-CG 3.89Å; W259-L267 HydrophobicContact CE3-CD1 3.85Å; W259-L267 HydrophobicContact CZ3-CD1 4.31Å; P264-L267 PolarHBondContact O-N 3.18Å; L265-L267 VanDerWaalsContact C-N 3.29Å; L265-L267 PolarHBondContact O-N 3.03Å
268Y88.1Confident85.5Confident107 Ų10755.3 Ų55.342%0.4227%0.268SS..G310 helixtrans-10212.1177.5-64.1-83.1000112.8V222 L265 A266 G270 L271V222-Y268 HydrophobicContact CG1-CE1 4.32Å; L265-Y268 PolarHBondContact O-N 3Å; A266-Y268 PolarHBondContact O-N 2.91Å; Y268-G270 PolarHBondContact O-N 3.07Å; Y268-L271 HydrophobicContact CD1-CD1 4.38Å; Y268-L271 WeakPolarHBondContact O-CB 3.5Å; Y268-L271 PolarHBondContact O-N 3.29Å
269K82.5Confident85.3Confident38 Ų3855.4 Ų55.417%0.16527%0.269CS..THydrogen-bonded Turntrans-59.8127.7171.5-76.9171.7179.71780109.5Q35 Q37 Y46 V229 E262 A266Q35-K269 WeakPolarHBondContact CG-O 3.3Å; Q37-K269 PolarHBondContact O-NZ 3.49Å; Y46-K269 PolarHBondContact OH-NZ 2.97Å; V229-K269 WeakPolarHBondContact CG2-O 3.24Å; E262-K269 IonicContact OE2-NZ 3.07Å; E262-K269 PolarHBondContact OE2-NZ 3.14Å; A266-K269 HydrophobicContact CB-CD 4.24Å; A266-K269 VanDerWaalsContact O-CB 3.31Å; A266-K269 WeakPolarHBondContact O-CB 3.39Å; A266-K269 VanDerWaalsContact O-CG 3.3Å; A266-K269 WeakPolarHBondContact O-CG 3.2Å; A266-K269 PolarHBondContact O-N 3.09Å; A266-K269 VanDerWaalsContact O-N 3.15Å
270G80.3Confident85Confident12 Ų1250.9 Ų50.912%0.12426%0.259CS..THydrogen-bonded Turntrans84.912.6-179.700000115.2Y268 A272 P273 A274Y268-G270 PolarHBondContact O-N 3.07Å; G270-A272 PolarHBondContact O-N 3.23Å; G270-P273 VanDerWaalsContact C-CD 3.49Å; G270-P273 VanDerWaalsContact O-CD 3.26Å; G270-P273 WeakPolarHBondContact O-CD 3.43Å; G270-P273 VanDerWaalsContact O-CG 3.23Å; G270-P273 WeakPolarHBondContact O-CG 3.49Å; G270-A274 VanDerWaalsContact O-CB 3.26Å; G270-A274 WeakPolarHBondContact O-CB 3.18Å; G270-A274 PolarHBondContact O-N 3.5Å
271L86.4Confident85Confident62 Ų6242.3 Ų42.333%0.32523%0.228SC..Hα-helixtrans-54.5-49.8172.6-171.181.9000112V221 V222 T225 Y268 A274 Y275V221-L271 HydrophobicContact CG1-CD1 3.53Å; V221-L271 HydrophobicContact CG1-CG 4.12Å; V222-L271 HydrophobicContact CG2-CD1 4.28Å; T225-L271 HydrophobicContact CG2-CD1 4.34Å; T225-L271 WeakPolarHBondContact OG1-CD1 3.44Å; Y268-L271 HydrophobicContact CD1-CD1 4.38Å; Y268-L271 WeakPolarHBondContact O-CB 3.5Å; Y268-L271 PolarHBondContact O-N 3.29Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.49Å; L271-Y275 PolarHBondContact O-N 3.32Å
272A85.5Confident84.8Confident56 Ų5640.3 Ų40.346%0.46322%0.221SC..Hα-helixtrans-59.2-53.3179.300000113.3G270 A274 Y275 L276G270-A272 PolarHBondContact O-N 3.23Å; A272-A274 VanDerWaalsContact C-N 3.28Å; A272-A274 PolarHBondContact O-N 3.33Å; A272-Y275 PolarHBondContact O-N 3.43Å; A272-L276 VanDerWaalsContact O-CB 3.32Å; A272-L276 WeakPolarHBondContact O-CB 3.38Å; A272-L276 WeakPolarHBondContact O-CG 3.44Å; A272-L276 PolarHBondContact O-N 3.4Å
273P83.5Confident84.9Confident4 Ų442.3 Ų42.33%0.02623%0.232CC..Hα-helixtrans-63-32.1174.918.3-28.2000113.1K31 L34 F53 G270 R277K31-P273 HydrophobicContact CB-CB 4.01Å; K31-P273 HydrophobicContact CB-CG 4.29Å; K31-P273 HydrophobicContact CG-CB 4.48Å; K31-P273 HydrophobicContact CG-CG 4.42Å; L34-P273 HydrophobicContact CD1-CG 3.97Å; F53-P273 HydrophobicContact CD2-CB 3.58Å; F53-P273 HydrophobicContact CD2-CG 4.27Å; F53-P273 HydrophobicContact CE2-CB 3.63Å; G270-P273 VanDerWaalsContact C-CD 3.49Å; G270-P273 VanDerWaalsContact O-CD 3.26Å; G270-P273 WeakPolarHBondContact O-CD 3.43Å; G270-P273 VanDerWaalsContact O-CG 3.23Å; G270-P273 WeakPolarHBondContact O-CG 3.49Å; P273-R277 WeakPolarHBondContact O-CB 3.37Å; P273-R277 PolarHBondContact O-N 3.36Å
274A84.7Confident84.9Confident2 Ų243.3 Ų43.32%0.01723%0.232CC..Hα-helixtrans-63.3-46.1176.300000111.8K31 V221 G270 L271 A272 L278K31-A274 HydrophobicContact CD-CB 4.2Å; V221-A274 HydrophobicContact CG1-CB 3.97Å; G270-A274 VanDerWaalsContact O-CB 3.26Å; G270-A274 WeakPolarHBondContact O-CB 3.18Å; G270-A274 PolarHBondContact O-N 3.5Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.49Å; A272-A274 VanDerWaalsContact C-N 3.28Å; A272-A274 PolarHBondContact O-N 3.33Å; A274-L278 PolarHBondContact O-N 3.01Å
275Y87.8Confident85Confident70 Ų7041.1 Ų41.128%0.27522%0.218SC..Hα-helixtrans-68-47.3176.2-177.8-103.6000112.3I218 V221 L271 A272 R277 L278 G279I218-Y275 HydrophobicContact CD1-CE2 4.47Å; I218-Y275 HydrophobicContact CG1-CD2 4.17Å; I218-Y275 HydrophobicContact CG1-CE2 3.48Å; I218-Y275 VanDerWaalsContact CG1-CE2 3.48Å; V221-Y275 HydrophobicContact CG2-CD2 4.49Å; L271-Y275 PolarHBondContact O-N 3.32Å; A272-Y275 PolarHBondContact O-N 3.43Å; Y275-R277 PolarHBondContact O-N 3.33Å; Y275-L278 PolarHBondContact O-N 3.06Å; Y275-G279 PolarHBondContact O-N 3.38Å
276L85.8Confident84.8Confident76 Ų7639.8 Ų39.840%0.39821%0.21SC..Hα-helixtrans-64.7-20.4179.1-73.2172.2000113.4F53 A272 P280F53-L276 HydrophobicContact CD1-CD1 3.24Å; F53-L276 HydrophobicContact CE1-CB 4.13Å; F53-L276 HydrophobicContact CE1-CD1 3.41Å; F53-L276 VanDerWaalsContact CE1-CD1 3.41Å; F53-L276 HydrophobicContact CE1-CG 4.39Å; F53-L276 HydrophobicContact CG-CD1 4.01Å; F53-L276 HydrophobicContact CZ-CB 4.32Å; F53-L276 HydrophobicContact CZ-CD1 4.27Å; A272-L276 VanDerWaalsContact O-CB 3.32Å; A272-L276 WeakPolarHBondContact O-CB 3.38Å; A272-L276 WeakPolarHBondContact O-CG 3.44Å; A272-L276 PolarHBondContact O-N 3.4Å; L276-P280 WeakPolarHBondContact O-CD 3.34Å; L276-P280 WeakPolarHBondContact O-CG 3.2Å
277R85.1Confident85Confident32 Ų3243.7 Ų43.712%0.12123%0.23CC..Hα-helixtrans-79.6-42.9169.1-174.4-163.671.3102.913.3111.8L27 E28 P273 Y275 G279 H281L27-R277 HydrophobicContact CB-CB 4.06Å; L27-R277 HydrophobicContact CB-CG 4.21Å; L27-R277 HydrophobicContact CD1-CB 4.2Å; L27-R277 HydrophobicContact CD1-CG 4.45Å; E28-R277 HydrophobicContact CG-CG 4.28Å; E28-R277 IonicContact OE1-CZ 3.57Å; E28-R277 IonicContact OE1-NE 3.41Å; E28-R277 IonicContact OE1-NH1 2.67Å; E28-R277 PolarHBondContact OE1-NH1 3.47Å; P273-R277 WeakPolarHBondContact O-CB 3.37Å; P273-R277 PolarHBondContact O-N 3.36Å; Y275-R277 PolarHBondContact O-N 3.33Å; R277-G279 PolarHBondContact O-N 3.16Å; R277-H281 WeakPolarHBondContact O-CB 3.25Å; R277-H281 PolarHBondContact O-N 3.22Å
278L79.8Confident85.1Confident30 Ų3045.6 Ų45.616%0.15724%0.238CC..Hα-helixtrans-64.3-39.9-170.2-163.165.5000112.3S217 V221 A274 Y275 T282S217-L278 WeakPolarHBondContact OG-CD2 3.45Å; V221-L278 HydrophobicContact CG2-CD2 3.78Å; A274-L278 PolarHBondContact O-N 3.01Å; Y275-L278 PolarHBondContact O-N 3.06Å; L278-T282 WeakPolarHBondContact O-CB 3.19Å; L278-T282 PolarHBondContact O-N 3.4Å; L278-T282 PolarHBondContact O-OG1 3.35Å
279G82.8Confident85Confident2 Ų244.1 Ų44.12%0.02123%0.231CC..Hα-helixtrans-61.6-63.5177.400000113.2M214 Y275 R277 H281 T282 I283M214-G279 VanDerWaalsContact SD-CA 3.52Å; Y275-G279 PolarHBondContact O-N 3.38Å; R277-G279 PolarHBondContact O-N 3.16Å; G279-H281 VanDerWaalsContact C-N 3.26Å; G279-H281 PolarHBondContact O-N 2.85Å; G279-T282 PolarHBondContact O-N 2.83Å; G279-T282 VanDerWaalsContact O-N 3.1Å; G279-I283 WeakPolarHBondContact O-CG1 3.31Å; G279-I283 PolarHBondContact O-N 2.64Å
280P84.2Confident85.1Confident56 Ų5645.6 Ų45.636%0.36424%0.241SC..Hα-helixtrans-56.1-39177.1-26.635.9000113T24 L276 T282 I283 L284T24-P280 HydrophobicContact CG2-CB 4.32Å; L276-P280 WeakPolarHBondContact O-CD 3.34Å; L276-P280 WeakPolarHBondContact O-CG 3.2Å; P280-T282 VanDerWaalsContact C-N 3.34Å; P280-T282 PolarHBondContact O-N 2.88Å; P280-I283 PolarHBondContact O-N 3.47Å; P280-L284 VanDerWaalsContact O-CB 3.24Å; P280-L284 WeakPolarHBondContact O-CB 3.46Å; P280-L284 WeakPolarHBondContact O-CG 3.24Å; P280-L284 PolarHBondContact O-N 3.04Å
281H86.3Confident85.5Confident28 Ų2849.5 Ų49.513%0.1326%0.256CS..Hα-helixtrans-61-44177.3-172.977000111.8T24 R277 G279 S285T24-H281 HydrophobicContact CG2-CB 3.82Å; T24-H281 PolarHBondContact OG1-ND1 2.94Å; R277-H281 WeakPolarHBondContact O-CB 3.25Å; R277-H281 PolarHBondContact O-N 3.22Å; G279-H281 VanDerWaalsContact C-N 3.26Å; G279-H281 PolarHBondContact O-N 2.85Å; H281-S285 VanDerWaalsContact O-CB 3.25Å; H281-S285 WeakPolarHBondContact O-CB 3.31Å; H281-S285 PolarHBondContact O-N 2.95Å; H281-S285 PolarHBondContact O-OG 2.66Å
282T83.6Confident85.5Confident44 Ų4448.4 Ų48.427%0.2725%0.251SS..Hα-helixtrans-67.9-46.8-179.4-55.70000111L278 G279 P280 S285 M286L278-T282 WeakPolarHBondContact O-CB 3.19Å; L278-T282 PolarHBondContact O-N 3.4Å; L278-T282 PolarHBondContact O-OG1 3.35Å; G279-T282 PolarHBondContact O-N 2.83Å; G279-T282 VanDerWaalsContact O-N 3.1Å; P280-T282 VanDerWaalsContact C-N 3.34Å; P280-T282 PolarHBondContact O-N 2.88Å; T282-S285 PolarHBondContact O-N 3.49Å; T282-M286 HydrophobicContact CG2-CE 4.32Å; T282-M286 HydrophobicContact CG2-SD 4.35Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 3.38Å
283I85.2Confident85.5Confident57 Ų5748.9 Ų48.929%0.29224%0.241SC..Hα-helixtrans-60.5-50.5179.1-65.7166.5000110.3L210 G279 P280 S285 M286 L287L210-I283 HydrophobicContact CD1-CD1 4.31Å; L210-I283 HydrophobicContact CD1-CG1 3.53Å; L210-I283 HydrophobicContact CD2-CD1 4.37Å; L210-I283 HydrophobicContact CD2-CG1 4.16Å; L210-I283 HydrophobicContact CG-CG1 4.47Å; G279-I283 WeakPolarHBondContact O-CG1 3.31Å; G279-I283 PolarHBondContact O-N 2.64Å; P280-I283 PolarHBondContact O-N 3.47Å; I283-S285 PolarHBondContact O-N 3.4Å; I283-M286 PolarHBondContact O-N 2.86Å; I283-L287 HydrophobicContact CG2-CD1 3.82Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CB 3.31Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.45Å; I283-L287 PolarHBondContact O-N 2.94Å
284L88.1Confident85.6Confident43 Ų4353.7 Ų53.723%0.22526%0.261CS..Hα-helixtrans-64.6-41.3-179.6-70.1171.4000112.1A20 F23 P280 M286 L287 F288A20-L284 HydrophobicContact CB-CB 3.83Å; F23-L284 HydrophobicContact CB-CD1 3.61Å; F23-L284 HydrophobicContact CD2-CD1 4.32Å; F23-L284 HydrophobicContact CG-CD1 4.09Å; P280-L284 VanDerWaalsContact O-CB 3.24Å; P280-L284 WeakPolarHBondContact O-CB 3.46Å; P280-L284 WeakPolarHBondContact O-CG 3.24Å; P280-L284 PolarHBondContact O-N 3.04Å; L284-M286 VanDerWaalsContact C-N 3.32Å; L284-M286 PolarHBondContact O-N 3Å; L284-L287 PolarHBondContact O-N 3.37Å; L284-F288 HydrophobicContact CB-CD2 4.25Å; L284-F288 HydrophobicContact CB-CE2 3.97Å; L284-F288 HydrophobicContact CD2-CE2 4.26Å; L284-F288 HydrophobicContact CD2-CZ 4.37Å; L284-F288 WeakPolarHBondContact O-CB 3.42Å; L284-F288 WeakPolarHBondContact O-CD2 3.46Å; L284-F288 VanDerWaalsContact O-CG 3.31Å; L284-F288 WeakPolarHBondContact O-CG 2.87Å; L284-F288 PolarHBondContact O-N 2.68Å
285S86.6Confident85.7Confident15 Ų1558.2 Ų58.211%0.10528%0.284CS..Hα-helixtrans-62.6-41178.3-59.10000111.6A16 A20 H281 T282 I283 W289A16-S285 WeakPolarHBondContact CB-O 3.37Å; A20-S285 WeakPolarHBondContact CB-OG 3.16Å; H281-S285 VanDerWaalsContact O-CB 3.25Å; H281-S285 WeakPolarHBondContact O-CB 3.31Å; H281-S285 PolarHBondContact O-N 2.95Å; H281-S285 PolarHBondContact O-OG 2.66Å; T282-S285 PolarHBondContact O-N 3.49Å; I283-S285 PolarHBondContact O-N 3.4Å; S285-W289 VanDerWaalsContact O-CB 3.22Å; S285-W289 WeakPolarHBondContact O-CB 3.22Å; S285-W289 PolarHBondContact O-N 3.34Å
286M84.1Confident85.5Confident88 Ų8855.8 Ų55.843%0.43328%0.279SS..Hα-helixtrans-67.2-47.7176.4-74.1-178.4167.500111.7T282 I283 L284 F288 W289 D290T282-M286 HydrophobicContact CG2-CE 4.32Å; T282-M286 HydrophobicContact CG2-SD 4.35Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 3.38Å; I283-M286 PolarHBondContact O-N 2.86Å; L284-M286 VanDerWaalsContact C-N 3.32Å; L284-M286 PolarHBondContact O-N 3Å; M286-F288 VanDerWaalsContact C-N 3.35Å; M286-F288 PolarHBondContact O-N 3.26Å; M286-W289 PolarHBondContact O-N 3.48Å; M286-W289 VanDerWaalsContact O-N 3.15Å; M286-D290 PolarHBondContact O-N 3.05Å
287L86.9Confident85.3Confident85 Ų8552.3 Ų52.345%0.44526%0.261SS..Hα-helixtrans-57.3-47.1177.5-74.3174.9000111.8I283 L284 W289 D290 E291I283-L287 HydrophobicContact CG2-CD1 3.82Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CB 3.31Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.45Å; I283-L287 PolarHBondContact O-N 2.94Å; L284-L287 PolarHBondContact O-N 3.37Å; L287-W289 VanDerWaalsContact C-N 3.34Å; L287-W289 PolarHBondContact O-N 2.93Å; L287-D290 PolarHBondContact O-N 3.44Å; L287-E291 WeakPolarHBondContact O-CG 3.37Å; L287-E291 PolarHBondContact O-N 3.18Å
288F90.1Very high85.1Confident50 Ų5058.5 Ų58.522%0.21928%0.284CS..Hα-helixtrans-66.4-36.8177.6-68.9-45000112.1A16 L19 A20 F23 L284 M286 L292A16-F288 HydrophobicContact CB-CB 3.73Å; L19-F288 HydrophobicContact CB-CD2 3.54Å; L19-F288 HydrophobicContact CB-CE2 3.76Å; L19-F288 HydrophobicContact CB-CG 4.01Å; L19-F288 HydrophobicContact CB-CZ 4.39Å; L19-F288 HydrophobicContact CD1-CB 4.34Å; L19-F288 HydrophobicContact CD1-CD1 4.37Å; L19-F288 HydrophobicContact CD1-CG 4.2Å; A20-F288 HydrophobicContact CB-CD2 4.35Å; F23-F288 HydrophobicContact CD2-CE2 4.07Å; F23-F288 HydrophobicContact CD2-CZ 4.12Å; F23-F288 HydrophobicContact CE2-CE2 4.04Å; F23-F288 AromaticContact CE2-CZ 3.65Å; F23-F288 HydrophobicContact CE2-CZ 3.65Å; L284-F288 HydrophobicContact CB-CD2 4.25Å; L284-F288 HydrophobicContact CB-CE2 3.97Å; L284-F288 HydrophobicContact CD2-CE2 4.26Å; L284-F288 HydrophobicContact CD2-CZ 4.37Å; L284-F288 WeakPolarHBondContact O-CB 3.42Å; L284-F288 WeakPolarHBondContact O-CD2 3.46Å; L284-F288 VanDerWaalsContact O-CG 3.31Å; L284-F288 WeakPolarHBondContact O-CG 2.87Å; L284-F288 PolarHBondContact O-N 2.68Å; M286-F288 VanDerWaalsContact C-N 3.35Å; M286-F288 PolarHBondContact O-N 3.26Å; F288-L292 WeakPolarHBondContact O-CB 3.18Å; F288-L292 WeakPolarHBondContact O-CG 3.45Å; F288-L292 PolarHBondContact O-N 3.31Å
289W86.7Confident85Confident76 Ų7660 Ų6029%0.28830%0.301SS..Hα-helixtrans-64.7-44.6176.8177.968.6000111.9D9 A16 S285 M286 L287 L292 R293D9-W289 VanDerWaalsContact OD1-CE2 3.31Å; D9-W289 WeakPolarHBondContact OD1-CZ2 3.32Å; D9-W289 PolarHBondContact OD1-NE1 3.33Å; A16-W289 HydrophobicContact CB-CB 3.84Å; S285-W289 VanDerWaalsContact O-CB 3.22Å; S285-W289 WeakPolarHBondContact O-CB 3.22Å; S285-W289 PolarHBondContact O-N 3.34Å; M286-W289 PolarHBondContact O-N 3.48Å; M286-W289 VanDerWaalsContact O-N 3.15Å; L287-W289 VanDerWaalsContact C-N 3.34Å; L287-W289 PolarHBondContact O-N 2.93Å; W289-L292 PolarHBondContact O-N 3.47Å; W289-R293 VanDerWaalsContact CZ2-CD 3.5Å; W289-R293 WeakPolarHBondContact O-CB 3.22Å; W289-R293 WeakPolarHBondContact O-CG 3.37Å; W289-R293 PolarHBondContact O-N 3.49Å
290D85Confident84.3Confident70 Ų7065.3 Ų65.337%0.37433%0.326SS..Hα-helixtrans-62.3-45.1176.6-78.4-20.3000111.9M286 L287 R293 K294M286-D290 PolarHBondContact O-N 3.05Å; L287-D290 PolarHBondContact O-N 3.44Å; D290-R293 PolarHBondContact O-N 2.9Å; D290-K294 VanDerWaalsContact O-CG 3.3Å; D290-K294 WeakPolarHBondContact O-CG 3.45Å; D290-K294 PolarHBondContact O-N 2.94Å
291E87.3Confident83.1Confident93 Ų9368.3 Ų68.344%0.43534%0.335SS..Hα-helixtrans-66.5-42.1177.7-72.2-54.5130.400112.3L287 R293 K294 L295L287-E291 WeakPolarHBondContact O-CG 3.37Å; L287-E291 PolarHBondContact O-N 3.18Å; E291-R293 VanDerWaalsContact C-N 3.33Å; E291-R293 PolarHBondContact O-N 2.69Å; E291-K294 PolarHBondContact O-N 3.47Å; E291-K294 IonicContact OE1-NZ 2.77Å; E291-K294 PolarHBondContact OE1-NZ 3.09Å; E291-L295 WeakPolarHBondContact O-CG 3.3Å; E291-L295 PolarHBondContact O-N 3.06Å
292L87.8Confident81.8Confident39 Ų3975.3 Ų75.320%0.20437%0.367CS..Hα-helixtrans-62.9-39.2176-76.1174000112L12 A16 L19 F288 W289 L295 A296L12-L292 HydrophobicContact CB-CB 4.12Å; L12-L292 HydrophobicContact CD2-CB 3.78Å; L12-L292 HydrophobicContact CD2-CD2 4.46Å; L12-L292 HydrophobicContact CG-CB 4.35Å; L12-L292 WeakPolarHBondContact O-CD1 3.21Å; A16-L292 HydrophobicContact CB-CD1 4.14Å; L19-L292 HydrophobicContact CD1-CD1 4.33Å; F288-L292 WeakPolarHBondContact O-CB 3.18Å; F288-L292 WeakPolarHBondContact O-CG 3.45Å; F288-L292 PolarHBondContact O-N 3.31Å; W289-L292 PolarHBondContact O-N 3.47Å; L292-L295 PolarHBondContact O-N 3.03Å; L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 3.19Å
293R84.9Confident80.4Confident67 Ų6776.6 Ų76.625%0.25339%0.389SS..Hα-helixtrans-63.6-44.7173.7-84.5-177.1139.7-151.4-1.6112.5D9 L12 W289 D290 E291 L295 A296 G297D9-R293 IonicContact OD1-CZ 3.39Å; D9-R293 IonicContact OD1-NE 3.58Å; D9-R293 PolarHBondContact OD1-NE 2.87Å; D9-R293 IonicContact OD1-NH2 3.37Å; D9-R293 PolarHBondContact OD1-NH2 3.4Å; D9-R293 IonicContact OD2-CZ 3.47Å; D9-R293 IonicContact OD2-NE 2.73Å; D9-R293 IonicContact OD2-NH2 2.7Å; D9-R293 PolarHBondContact OD2-NH2 3.31Å; L12-R293 HydrophobicContact CD1-CG 3.97Å; W289-R293 VanDerWaalsContact CZ2-CD 3.5Å; W289-R293 WeakPolarHBondContact O-CB 3.22Å; W289-R293 WeakPolarHBondContact O-CG 3.37Å; W289-R293 PolarHBondContact O-N 3.49Å; D290-R293 PolarHBondContact O-N 2.9Å; E291-R293 VanDerWaalsContact C-N 3.33Å; E291-R293 PolarHBondContact O-N 2.69Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 2.74Å; R293-A296 PolarHBondContact O-N 2.96Å; R293-G297 PolarHBondContact O-N 3.45Å
294K86.2Confident78.5Confident105 Ų10581.9 Ų81.946%0.45742%0.424SS..Hα-helixtrans-60.3-41.8176.3-70.7170.6-165.21690111.4D290 E291 R298D290-K294 VanDerWaalsContact O-CG 3.3Å; D290-K294 WeakPolarHBondContact O-CG 3.45Å; D290-K294 PolarHBondContact O-N 2.94Å; E291-K294 PolarHBondContact O-N 3.47Å; E291-K294 IonicContact OE1-NZ 2.77Å; E291-K294 PolarHBondContact OE1-NZ 3.09Å; K294-R298 WeakPolarHBondContact O-CG 3.15Å; K294-R298 PolarHBondContact O-N 3.29Å; K294-R298 VanDerWaalsContact O-N 3.1Å
295L86.6Confident78Confident96 Ų9683.8 Ų83.850%0.50343%0.434SS..Hα-helixtrans-65.5-43.3176.6-70.6170.9000111.9E291 L292 R293 R298 A299E291-L295 WeakPolarHBondContact O-CG 3.3Å; E291-L295 PolarHBondContact O-N 3.06Å; L292-L295 PolarHBondContact O-N 3.03Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 2.74Å; L295-R298 PolarHBondContact O-N 3.39Å; L295-A299 PolarHBondContact O-N 2.98Å
296A83.7Confident77.6Confident19 Ų1987.4 Ų87.416%0.15745%0.452CS..Hα-helixtrans-63.2-42.117700000112.5L12 L292 R293 A299 Q300L12-A296 HydrophobicContact CD1-CB 3.83Å; L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 3.19Å; R293-A296 PolarHBondContact O-N 2.96Å; A296-A299 PolarHBondContact O-N 3.43Å; A296-Q300 PolarHBondContact O-N 3.31Å; A296-Q300 VanDerWaalsContact O-N 3.08Å
297G81.3Confident77.2Confident3 Ų387.4 Ų87.43%0.03145%0.453CS..Hα-helixtrans-60.9-44.1174.600000112.3R293 A299 Q300 H301R293-G297 PolarHBondContact O-N 3.45Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 2.83Å; G297-Q300 PolarHBondContact O-N 3Å; G297-H301 PolarHBondContact O-CD2 3.35Å; G297-H301 PolarHBondContact O-N 2.85Å
298R81.3Confident76.6Confident162 Ų16287.5 Ų87.561%0.61145%0.453SS*.Hα-helixtrans-62.1-39.1175.1-71.9173.7-175.9172.52.5113.1K294 L295 Q300 H301 Q302K294-R298 WeakPolarHBondContact O-CG 3.15Å; K294-R298 PolarHBondContact O-N 3.29Å; K294-R298 VanDerWaalsContact O-N 3.1Å; L295-R298 PolarHBondContact O-N 3.39Å; R298-Q300 VanDerWaalsContact C-N 3.34Å; R298-H301 PolarHBondContact O-N 3.5Å; R298-Q302 PolarHBondContact O-N 3.35Å
299A76.5Confident75.8Confident62 Ų6289.9 Ų89.951%0.51247%0.468SS..Hα-helixtrans-67.6-34178.100000112.5L295 A296 G297 Q302 G303L295-A299 PolarHBondContact O-N 2.98Å; A296-A299 PolarHBondContact O-N 3.43Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 2.83Å; A299-Q302 PolarHBondContact O-N 3.11Å; A299-G303 PolarHBondContact O-N 3.4Å
300Q67.8Low75.1Confident114 Ų11490.8 Ų90.853%0.53348%0.48SS..Hα-helixtrans-67.3-34.4174.3-75.5179.9-80.300112.5A296 G297 R298A296-Q300 PolarHBondContact O-N 3.31Å; A296-Q300 VanDerWaalsContact O-N 3.08Å; G297-Q300 PolarHBondContact O-N 3Å; R298-Q300 VanDerWaalsContact C-N 3.34Å
301H60.3Low74.4Confident119 Ų11992.3 Ų92.355%0.55149%0.487SS*.Hα-helixtrans-73.9-25.9176.1-83.7-77.5000114.4E2 G297 R298 T304E2-H301 IonicContact OE1-CD2 3.61Å; E2-H301 IonicContact OE1-CE1 2.66Å; E2-H301 IonicContact OE1-NE2 2.75Å; E2-H301 PolarHBondContact OE1-NE2 3.47Å; G297-H301 PolarHBondContact O-CD2 3.35Å; G297-H301 PolarHBondContact O-N 2.85Å; R298-H301 PolarHBondContact O-N 3.5Å; H301-T304 PolarHBondContact O-OG1 3.26Å
302Q58.7Low73.4Confident174 Ų17492.2 Ų92.281%0.81349%0.491SS*.Hα-helixtrans-84.2-13.1176.3-74.3-177.4-17.300113.4R298 A299R298-Q302 PolarHBondContact O-N 3.35Å; A299-Q302 PolarHBondContact O-N 3.11Å
303G53.4Low72.2Confident71 Ų7196.7 Ų96.773%0.73252%0.515SS*.  trans-97.22.1-17900000115.2A299A299-G303 PolarHBondContact O-N 3.4Å
304T45.3Very low71Confident168 Ų16899.4 Ų99.4100%1.03154%0.539SS*.  trans-113.60173.448.70000110.3H301H301-T304 PolarHBondContact O-OG1 3.26Å

Retrieved 304 of 304 residues in 141.8 ms (Link to these results)