A0A096N0Q2_PAPAN Loading...

IQ calmodulin-binding motif-containing protein 1

Involved in ciliogenesis. The function in an early step in cilia formation depends on its association with CEP290/NPHP6. Involved in regulation of the BBSome complex integrity, specifically for presence of BBS2 and BBS5 in the complex, and in ciliary targeting of selected BBSome cargos. May play a role in controlling entry of the BBSome complex to cilia possibly implicating CEP290/NPHP6.

AlphaFold DB , UniProt , Accession A0A096N0Q2, Species PAPAN (Papio anubis, Olive baboon), Gene IQCB1, Length 598 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
1M40.2Very low65Low240 Ų24092.8 Ų92.8100%1.18250%0.501SS*.  0143.80-77.2-174.5168.400108.9
2K37.9Very low66.8Low202 Ų20290.2 Ų90.288%0.87850%0.495SS*.  trans-66.1123.1171.7-78.2-176.2177.1-179.90108.7T4K2-T4 PolarHBondContact O-N 2.72Å
3P45.7Very low68.2Low48 Ų4883.9 Ų83.931%0.31246%0.461SS..  trans-67.5122.6179.9-316.2000108.5G5 T6P3-G5 PolarHBondContact O-N 3.05Å; P3-G5 VanDerWaalsContact O-N 3.09Å; P3-T6 PolarHBondContact O-OG1 3.27Å
4T53.5Low69.5Low149 Ų14978.9 Ų78.991%0.91444%0.436SS*.THydrogen-bonded Turntrans-75.699.9174.320.50000107.9K2K2-T4 PolarHBondContact O-N 2.72Å
5G61.2Low70.5Confident46 Ų4676.3 Ų76.347%0.47443%0.428SS..THydrogen-bonded Turntrans105.737.2175.500000115.6P3 K48P3-G5 PolarHBondContact O-N 3.05Å; P3-G5 VanDerWaalsContact O-N 3.09Å; G5-K48 WeakPolarHBondContact O-CE 3.49Å; G5-K48 PolarHBondContact O-NZ 3.16Å
6T65.7Low71.4Confident23 Ų2375.8 Ų75.814%0.14142%0.422CS..  trans-57.9142.2171.1-49.90000112.3P3 L11 D52 Y56P3-T6 PolarHBondContact O-OG1 3.27Å; T6-L11 HydrophobicContact CG2-CB 4.31Å; T6-L11 HydrophobicContact CG2-CD1 4.36Å; T6-D52 WeakPolarHBondContact CA-OD2 3.49Å; T6-D52 HydrophobicContact CG2-CB 4.23Å; T6-Y56 HydrophobicContact CG2-CD2 4.37Å; T6-Y56 HydrophobicContact CG2-CE2 3.4Å; T6-Y56 VanDerWaalsContact CG2-CE2 3.4Å
7D77.6Confident72.2Confident26 Ų2671.7 Ų71.714%0.13940%0.399CS..  trans-61.3121.6171-169.1-47.8000110.6R9 I10 L11 D52D7-R9 PolarHBondContact O-N 3.4Å; D7-R9 VanDerWaalsContact O-N 3.1Å; D7-R9 WeakPolarHBondContact OD1-CB 3.4Å; D7-R9 WeakPolarHBondContact OD1-CG 3.35Å; D7-R9 IonicContact OD1-CZ 3.96Å; D7-R9 PolarHBondContact OD1-N 3.12Å; D7-R9 IonicContact OD1-NE 3.05Å; D7-R9 PolarHBondContact OD1-NE 2.71Å; D7-R9 IonicContact OD1-NH2 3.97Å; D7-R9 IonicContact OD2-CZ 3.42Å; D7-R9 IonicContact OD2-NE 3.27Å; D7-R9 PolarHBondContact OD2-NE 3.09Å; D7-R9 IonicContact OD2-NH2 2.72Å; D7-R9 PolarHBondContact OD2-NH2 3.2Å; D7-I10 HydrophobicContact CB-CG1 4.11Å; D7-I10 PolarHBondContact O-N 3.06Å; D7-I10 VanDerWaalsContact O-N 3.12Å; D7-L11 PolarHBondContact O-N 2.91Å; D7-D52 PolarHBondContact N-OD2 2.7Å
8P79.7Confident72.8Confident99 Ų9972.1 Ų72.164%0.64341%0.413SS*.Hα-helixtrans-61.1-23.9-176.725.1-34.7000113.1S12P8-S12 WeakPolarHBondContact O-CB 3.36Å; P8-S12 PolarHBondContact O-N 3.39Å
9R83.4Confident73.3Confident105 Ų10577.8 Ų77.840%0.39643%0.433SS..Hα-helixtrans-70.3-42.3177.7-58.8173.8-71.1179.3-0.1111.3D7 S12 I13 I35D7-R9 PolarHBondContact O-N 3.4Å; D7-R9 VanDerWaalsContact O-N 3.1Å; D7-R9 WeakPolarHBondContact OD1-CB 3.4Å; D7-R9 WeakPolarHBondContact OD1-CG 3.35Å; D7-R9 IonicContact OD1-CZ 3.96Å; D7-R9 PolarHBondContact OD1-N 3.12Å; D7-R9 IonicContact OD1-NE 3.05Å; D7-R9 PolarHBondContact OD1-NE 2.71Å; D7-R9 IonicContact OD1-NH2 3.97Å; D7-R9 IonicContact OD2-CZ 3.42Å; D7-R9 IonicContact OD2-NE 3.27Å; D7-R9 PolarHBondContact OD2-NE 3.09Å; D7-R9 IonicContact OD2-NH2 2.72Å; D7-R9 PolarHBondContact OD2-NH2 3.2Å; R9-S12 PolarHBondContact O-N 2.87Å; R9-I13 WeakPolarHBondContact O-CG1 3.21Å; R9-I13 PolarHBondContact O-N 3.1Å; R9-I13 VanDerWaalsContact O-N 3.12Å; R9-I35 HydrophobicContact CB-CD1 3.69Å; R9-I35 HydrophobicContact CB-CG1 4.45Å
10I85.4Confident73.8Confident0 Ų075.9 Ų75.90%042%0.424CS..Hα-helixtrans-68.3-41.1177.9-58.8-56.8000110.6D7 S12 I13 A14 L32 I35 I49 D52 I53 Y56 L58D7-I10 HydrophobicContact CB-CG1 4.11Å; D7-I10 PolarHBondContact O-N 3.06Å; D7-I10 VanDerWaalsContact O-N 3.12Å; I10-S12 VanDerWaalsContact C-N 3.31Å; I10-S12 PolarHBondContact O-N 3.49Å; I10-I13 PolarHBondContact O-N 3.41Å; I10-A14 PolarHBondContact O-N 3Å; I10-L32 HydrophobicContact CD1-CD2 3.66Å; I10-I35 HydrophobicContact CD1-CD1 3.77Å; I10-I35 HydrophobicContact CD1-CG2 4.16Å; I10-I49 HydrophobicContact CD1-CG2 4.19Å; I10-I49 HydrophobicContact CG1-CG2 4.35Å; I10-D52 HydrophobicContact CB-CB 4.45Å; I10-D52 HydrophobicContact CG2-CB 4.12Å; I10-I53 HydrophobicContact CD1-CD1 4.09Å; I10-I53 HydrophobicContact CD1-CG1 3.73Å; I10-I53 HydrophobicContact CG1-CG1 4.28Å; I10-I53 HydrophobicContact CG2-CG1 4.13Å; I10-Y56 HydrophobicContact CG2-CD2 4.34Å; I10-L58 HydrophobicContact CG2-CD1 3.89Å
11L84.9Confident73.8Confident83 Ų8376 Ų7644%0.43543%0.429SS..Hα-helixtrans-63.2-37.9177-162.8151.4000111.8T6 D7 A15 Y56T6-L11 HydrophobicContact CG2-CB 4.31Å; T6-L11 HydrophobicContact CG2-CD1 4.36Å; D7-L11 PolarHBondContact O-N 2.91Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.96Å; L11-Y56 WeakPolarHBondContact CD1-OH 3.43Å
12S85.9Confident75.4Confident61 Ų6171.7 Ų71.743%0.42741%0.406SS..Hα-helixtrans-62.9-44.2173.1-168.20000112P8 R9 I10 A15 E16P8-S12 WeakPolarHBondContact O-CB 3.36Å; P8-S12 PolarHBondContact O-N 3.39Å; R9-S12 PolarHBondContact O-N 2.87Å; I10-S12 VanDerWaalsContact C-N 3.31Å; I10-S12 PolarHBondContact O-N 3.49Å; S12-A15 PolarHBondContact O-N 2.84Å; S12-E16 WeakPolarHBondContact O-CG 3.48Å; S12-E16 PolarHBondContact O-N 3.47Å
13I86Confident77.3Confident9 Ų969.1 Ų69.15%0.04640%0.397CS..Hα-helixtrans-64.7-45.5178.4-68.9170.3000110.6R9 I10 A15 E16 V17 I28 K31 L32 I35 L58R9-I13 WeakPolarHBondContact O-CG1 3.21Å; R9-I13 PolarHBondContact O-N 3.1Å; R9-I13 VanDerWaalsContact O-N 3.12Å; I10-I13 PolarHBondContact O-N 3.41Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.34Å; I13-E16 PolarHBondContact O-N 3.09Å; I13-E16 VanDerWaalsContact O-N 3.16Å; I13-V17 HydrophobicContact CG2-CG2 4.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.31Å; I13-V17 PolarHBondContact O-N 3.42Å; I13-I28 HydrophobicContact CG2-CG2 4.12Å; I13-K31 HydrophobicContact CD1-CB 3.85Å; I13-K31 HydrophobicContact CG1-CB 4.36Å; I13-L32 HydrophobicContact CD1-CD2 3.69Å; I13-L32 HydrophobicContact CD1-CG 4.23Å; I13-L32 HydrophobicContact CG2-CD2 4.08Å; I13-L32 HydrophobicContact CG2-CG 4.26Å; I13-I35 HydrophobicContact CD1-CD1 3.43Å; I13-I35 VanDerWaalsContact CD1-CD1 3.43Å; I13-L58 HydrophobicContact CG2-CD1 4.28Å
14A85.8Confident79Confident14 Ų1470.2 Ų70.212%0.11640%0.4CS..Hα-helixtrans-60.6-41.3176.800000112.4I10 E16 V17 A18 Y56 L58I10-A14 PolarHBondContact O-N 3Å; A14-E16 PolarHBondContact O-N 2.9Å; A14-V17 PolarHBondContact O-N 3.49Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.45Å; A14-Y56 HydrophobicContact CB-CD1 3.9Å; A14-Y56 HydrophobicContact CB-CG 3.96Å; A14-L58 HydrophobicContact CB-CD1 4.49Å; A14-L58 HydrophobicContact CB-CD2 4.24Å
15A84.1Confident80.4Confident39 Ų3963.8 Ų63.832%0.32236%0.36SS..Hα-helixtrans-67-33.7175.800000113.2L11 S12 I13 K19L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.96Å; S12-A15 PolarHBondContact O-N 2.84Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.34Å; A15-K19 WeakPolarHBondContact O-CD 3.49Å; A15-K19 VanDerWaalsContact O-CG 3.31Å; A15-K19 WeakPolarHBondContact O-CG 3.15Å; A15-K19 PolarHBondContact O-N 3.22Å
16E84.9Confident81.5Confident69 Ų6961.7 Ų61.732%0.32234%0.338SS..Hα-helixtrans-70.8-43.2173.7-78.1-178.4-167.600111.8S12 I13 A14 A18 K19 S20 I28 K31S12-E16 WeakPolarHBondContact O-CG 3.48Å; S12-E16 PolarHBondContact O-N 3.47Å; I13-E16 PolarHBondContact O-N 3.09Å; I13-E16 VanDerWaalsContact O-N 3.16Å; A14-E16 PolarHBondContact O-N 2.9Å; E16-A18 PolarHBondContact O-N 3.27Å; E16-K19 PolarHBondContact O-N 3.38Å; E16-S20 VanDerWaalsContact O-CB 3.26Å; E16-S20 WeakPolarHBondContact O-CB 3.28Å; E16-S20 PolarHBondContact O-N 3.36Å; E16-S20 VanDerWaalsContact O-N 3.11Å; E16-S20 PolarHBondContact O-OG 3.29Å; E16-I28 HydrophobicContact CB-CD1 4.38Å; E16-I28 HydrophobicContact CB-CG2 3.94Å; E16-K31 IonicContact OE1-NZ 3.66Å; E16-K31 IonicContact OE2-NZ 2.71Å; E16-K31 PolarHBondContact OE2-NZ 3.27Å
17V85.1Confident82.5Confident6 Ų663.5 Ų63.54%0.03635%0.349CS..Hα-helixtrans-60.4-44.71771700000110.7I13 A14 K19 S20 V25 I28 L29 L58 Y61I13-V17 HydrophobicContact CG2-CG2 4.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.31Å; I13-V17 PolarHBondContact O-N 3.42Å; A14-V17 PolarHBondContact O-N 3.49Å; V17-K19 VanDerWaalsContact C-N 3.26Å; V17-K19 PolarHBondContact O-N 3.42Å; V17-S20 PolarHBondContact O-N 3.12Å; V17-V25 HydrophobicContact CG1-CG1 4.01Å; V17-V25 HydrophobicContact CG1-CG2 4.49Å; V17-I28 HydrophobicContact CG2-CB 4.31Å; V17-I28 HydrophobicContact CG2-CG2 3.66Å; V17-L29 HydrophobicContact CG2-CD2 4.05Å; V17-L29 HydrophobicContact CG2-CG 4.4Å; V17-L58 HydrophobicContact CG2-CD2 4.24Å; V17-Y61 HydrophobicContact CG1-CD1 4.09Å; V17-Y61 HydrophobicContact CG1-CD2 4.09Å; V17-Y61 HydrophobicContact CG1-CE1 4.27Å; V17-Y61 HydrophobicContact CG1-CE2 4.28Å; V17-Y61 HydrophobicContact CG1-CG 4Å
18A82.9Confident82.8Confident79 Ų7963 Ų6365%0.65335%0.346SS*.Hα-helixtrans-66.7-22.7-179.600000114.4A14 E16A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.45Å; E16-A18 PolarHBondContact O-N 3.27Å
19K82.9Confident83.2Confident181 Ų18158.2 Ų58.279%0.78732%0.316SS*.Hα-helixtrans-102-11.7-176.7-69.2176.4-175.6176.40113.9A15 E16 V17A15-K19 WeakPolarHBondContact O-CD 3.49Å; A15-K19 VanDerWaalsContact O-CG 3.31Å; A15-K19 WeakPolarHBondContact O-CG 3.15Å; A15-K19 PolarHBondContact O-N 3.22Å; E16-K19 PolarHBondContact O-N 3.38Å; V17-K19 VanDerWaalsContact C-N 3.26Å; V17-K19 PolarHBondContact O-N 3.42Å
20S82.4Confident83.4Confident38 Ų3854.8 Ų54.827%0.26631%0.305SS..SBendtrans-94.4150.3-172-64.30000112E16 V17 I28E16-S20 VanDerWaalsContact O-CB 3.26Å; E16-S20 WeakPolarHBondContact O-CB 3.28Å; E16-S20 PolarHBondContact O-N 3.36Å; E16-S20 VanDerWaalsContact O-N 3.11Å; E16-S20 PolarHBondContact O-OG 3.29Å; V17-S20 PolarHBondContact O-N 3.12Å; S20-I28 WeakPolarHBondContact OG-CD1 3.46Å
21P75.1Confident83.5Confident80 Ų8059 Ų5952%0.51932%0.324SS..  trans-65.4150.117129.3-34.7000110.3Q23 N24P21-Q23 PolarHBondContact O-N 3.14Å; P21-N24 HydrophobicContact CG-CB 4.39Å; P21-N24 PolarHBondContact O-N 3.25Å
22E74.2Confident83.5Confident149 Ų14955.1 Ų55.170%0.69630%0.303SS*.THydrogen-bonded Turntrans-50-31.4-175.1-66.3177.9177.100113.9N24 V25 P26E22-N24 VanDerWaalsContact C-N 3.33Å; E22-N24 PolarHBondContact O-N 3.31Å; E22-V25 PolarHBondContact O-N 3.4Å; E22-P26 WeakPolarHBondContact O-CD 3.34Å
23Q76.1Confident83.5Confident148 Ų14854.6 Ų54.669%0.69229%0.293SS*.THydrogen-bonded Turntrans-66.4-29.2178.5-69.1175.8-6.300114.2P21 P26P21-Q23 PolarHBondContact O-N 3.14Å; Q23-P26 WeakPolarHBondContact O-CD 3.08Å
24N81.6Confident83.4Confident71 Ų7160.7 Ų60.738%0.3832%0.321SS..THydrogen-bonded Turntrans-92.3-16.8-178-69.6-17.7000112.7P21 E22 P26 V27 I28P21-N24 HydrophobicContact CG-CB 4.39Å; P21-N24 PolarHBondContact O-N 3.25Å; E22-N24 VanDerWaalsContact C-N 3.33Å; E22-N24 PolarHBondContact O-N 3.31Å; N24-P26 VanDerWaalsContact C-CD 3.46Å; N24-V27 PolarHBondContact O-N 3.36Å; N24-I28 HydrophobicContact CB-CD1 4.34Å; N24-I28 WeakPolarHBondContact O-CG1 3.45Å; N24-I28 PolarHBondContact O-N 3.16Å; N24-I28 VanDerWaalsContact O-N 3.16Å
25V84.4Confident83.3Confident13 Ų1360.6 Ų60.68%0.07932%0.319CS..Hα-helixtrans-55-44.3-179.3175.50000112.7V17 E22 V27 I28 L29 V65V17-V25 HydrophobicContact CG1-CG1 4.01Å; V17-V25 HydrophobicContact CG1-CG2 4.49Å; E22-V25 PolarHBondContact O-N 3.4Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 2.89Å; V25-I28 PolarHBondContact O-N 3.4Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.19Å; V25-L29 VanDerWaalsContact O-CG 3.32Å; V25-L29 WeakPolarHBondContact O-CG 3.31Å; V25-L29 PolarHBondContact O-N 3.23Å; V25-V65 HydrophobicContact CG1-CG2 4.09Å
26P84.4Confident83.2Confident2 Ų259.6 Ų59.61%0.01331%0.308CS..Hα-helixtrans-58.2-42.5178.4-23.733.3000113.1E22 Q23 N24 L29 L30 V65 I73 T79 L83E22-P26 WeakPolarHBondContact O-CD 3.34Å; Q23-P26 WeakPolarHBondContact O-CD 3.08Å; N24-P26 VanDerWaalsContact C-CD 3.46Å; P26-L29 PolarHBondContact O-N 3.5Å; P26-L30 WeakPolarHBondContact O-CG 3.22Å; P26-L30 PolarHBondContact O-N 3.04Å; P26-V65 HydrophobicContact CB-CG1 4.03Å; P26-V65 HydrophobicContact CG-CG1 3.75Å; P26-V65 HydrophobicContact CG-CG2 4.24Å; P26-I73 HydrophobicContact CB-CG2 3.91Å; P26-I73 HydrophobicContact CG-CG2 3.98Å; P26-T79 HydrophobicContact CB-CG2 3.78Å; P26-L83 HydrophobicContact CB-CD1 4.17Å
27V85Confident83.1Confident61 Ų6161.7 Ų61.737%0.3732%0.321SS..Hα-helixtrans-69-36.9-178.9-177.80000111.2N24 V25 L30 Q74N24-V27 PolarHBondContact O-N 3.36Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 2.89Å; V27-L30 PolarHBondContact O-N 3.18Å; V27-Q74 HydrophobicContact CG2-CB 4.17Å; V27-Q74 HydrophobicContact CG2-CG 4.22Å
28I85Confident82.8Confident15 Ų1567.3 Ų67.38%0.07735%0.35CS..Hα-helixtrans-67.6-41.3177-64.3163.2000110.5I13 E16 V17 S20 N24 V25 L30 K31I13-I28 HydrophobicContact CG2-CG2 4.12Å; E16-I28 HydrophobicContact CB-CD1 4.38Å; E16-I28 HydrophobicContact CB-CG2 3.94Å; V17-I28 HydrophobicContact CG2-CB 4.31Å; V17-I28 HydrophobicContact CG2-CG2 3.66Å; S20-I28 WeakPolarHBondContact OG-CD1 3.46Å; N24-I28 HydrophobicContact CB-CD1 4.34Å; N24-I28 WeakPolarHBondContact O-CG1 3.45Å; N24-I28 PolarHBondContact O-N 3.16Å; N24-I28 VanDerWaalsContact O-N 3.16Å; V25-I28 PolarHBondContact O-N 3.4Å; I28-L30 PolarHBondContact O-N 2.86Å; I28-K31 VanDerWaalsContact O-CB 3.31Å; I28-K31 WeakPolarHBondContact O-CB 3.34Å; I28-K31 WeakPolarHBondContact O-CG 3.14Å; I28-K31 PolarHBondContact O-N 3.47Å; I28-K31 VanDerWaalsContact O-N 3.14Å
29L86.9Confident82.5Confident0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-64.2-26.8178-70.2171.2000112.8V17 V25 P26 K31 L32 L58 V65 L83V17-L29 HydrophobicContact CG2-CD2 4.05Å; V17-L29 HydrophobicContact CG2-CG 4.4Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.19Å; V25-L29 VanDerWaalsContact O-CG 3.32Å; V25-L29 WeakPolarHBondContact O-CG 3.31Å; V25-L29 PolarHBondContact O-N 3.23Å; P26-L29 PolarHBondContact O-N 3.5Å; L29-K31 PolarHBondContact O-N 3.11Å; L29-L32 HydrophobicContact CD2-CD1 3.91Å; L29-L32 VanDerWaalsContact O-CB 3.22Å; L29-L32 WeakPolarHBondContact O-CB 3.38Å; L29-L32 WeakPolarHBondContact O-CG 3.46Å; L29-L32 PolarHBondContact O-N 3.48Å; L29-L32 VanDerWaalsContact O-N 3.07Å; L29-L58 HydrophobicContact CD2-CD2 4.21Å; L29-V65 HydrophobicContact CD1-CG2 4.1Å; L29-L83 HydrophobicContact CB-CD2 3.58Å; L29-L83 HydrophobicContact CD1-CD2 4.42Å
30L88.1Confident82Confident33 Ų3359.4 Ų59.417%0.17331%0.31CS..Hα-helixtrans-61.9-26.9174.2-66.5-177.8000113.3P26 V27 I28 L32 K33 T79 Q82 L83 I86P26-L30 WeakPolarHBondContact O-CG 3.22Å; P26-L30 PolarHBondContact O-N 3.04Å; V27-L30 PolarHBondContact O-N 3.18Å; I28-L30 PolarHBondContact O-N 2.86Å; L30-L32 PolarHBondContact O-N 3.43Å; L30-L32 VanDerWaalsContact O-N 3.13Å; L30-K33 WeakPolarHBondContact O-CB 3.26Å; L30-K33 PolarHBondContact O-N 2.68Å; L30-T79 HydrophobicContact CD1-CG2 4.1Å; L30-T79 HydrophobicContact CD2-CG2 4.3Å; L30-T79 HydrophobicContact CG-CG2 4.29Å; L30-Q82 HydrophobicContact CD2-CB 3.56Å; L30-L83 HydrophobicContact CD2-CD2 4.05Å; L30-L83 HydrophobicContact CD2-CG 4.06Å; L30-I86 HydrophobicContact CD2-CD1 4.32Å
31K86.8Confident81.4Confident89 Ų8964.9 Ų64.939%0.38734%0.336SS..Hα-helixtrans-60.1-23.1175.4-61.5178.9-178.4176.10112.2I13 E16 I28 L29 K33 E34I13-K31 HydrophobicContact CD1-CB 3.85Å; I13-K31 HydrophobicContact CG1-CB 4.36Å; E16-K31 IonicContact OE1-NZ 3.66Å; E16-K31 IonicContact OE2-NZ 2.71Å; E16-K31 PolarHBondContact OE2-NZ 3.27Å; I28-K31 VanDerWaalsContact O-CB 3.31Å; I28-K31 WeakPolarHBondContact O-CB 3.34Å; I28-K31 WeakPolarHBondContact O-CG 3.14Å; I28-K31 PolarHBondContact O-N 3.47Å; I28-K31 VanDerWaalsContact O-N 3.14Å; L29-K31 PolarHBondContact O-N 3.11Å; K31-K33 PolarHBondContact O-N 3.27Å; K31-E34 PolarHBondContact O-N 3.13Å
32L85.6Confident80.9Confident0 Ų064.5 Ų64.50%035%0.346CS..Hα-helixtrans-63-31174.2-64.3171.3000112.1I10 I13 L29 L30 E34 I35 I36 I53 L58 I86I10-L32 HydrophobicContact CD1-CD2 3.66Å; I13-L32 HydrophobicContact CD1-CD2 3.69Å; I13-L32 HydrophobicContact CD1-CG 4.23Å; I13-L32 HydrophobicContact CG2-CD2 4.08Å; I13-L32 HydrophobicContact CG2-CG 4.26Å; L29-L32 HydrophobicContact CD2-CD1 3.91Å; L29-L32 VanDerWaalsContact O-CB 3.22Å; L29-L32 WeakPolarHBondContact O-CB 3.38Å; L29-L32 WeakPolarHBondContact O-CG 3.46Å; L29-L32 PolarHBondContact O-N 3.48Å; L29-L32 VanDerWaalsContact O-N 3.07Å; L30-L32 PolarHBondContact O-N 3.43Å; L30-L32 VanDerWaalsContact O-N 3.13Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-E34 PolarHBondContact O-N 2.78Å; L32-I35 PolarHBondContact O-N 2.95Å; L32-I36 HydrophobicContact CB-CD1 4.49Å; L32-I36 WeakPolarHBondContact O-CD1 3.37Å; L32-I36 VanDerWaalsContact O-CG1 3.25Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.46Å; L32-I53 HydrophobicContact CD2-CD1 4.24Å; L32-I53 HydrophobicContact CD2-CG1 4.21Å; L32-L58 HydrophobicContact CD1-CB 4.32Å; L32-L58 HydrophobicContact CD1-CD1 4.29Å; L32-L58 HydrophobicContact CD2-CD1 4.04Å; L32-I86 HydrophobicContact CB-CG2 4.17Å
33K85.6Confident81.2Confident51 Ų5158.5 Ų58.522%0.22232%0.321CS..Hα-helixtrans-61-42.3178.9-167.7169.4-176166.30112.1L30 K31 I35 I36 N37 I86L30-K33 WeakPolarHBondContact O-CB 3.26Å; L30-K33 PolarHBondContact O-N 2.68Å; K31-K33 PolarHBondContact O-N 3.27Å; K33-I35 VanDerWaalsContact C-N 3.35Å; K33-I36 PolarHBondContact O-N 3.44Å; K33-N37 VanDerWaalsContact O-CB 3.31Å; K33-N37 WeakPolarHBondContact O-CB 3.33Å; K33-N37 PolarHBondContact O-N 3.43Å; K33-N37 PolarHBondContact O-ND2 3.19Å; K33-I86 HydrophobicContact CB-CD1 3.81Å; K33-I86 HydrophobicContact CB-CG1 3.97Å; K33-I86 HydrophobicContact CG-CG1 4.36Å
34E84.3Confident81.2Confident137 Ų13756.3 Ų56.364%0.6432%0.322SS*.Hα-helixtrans-64.3-42.6179.1-64.5-179176.200110.9K31 L32 I36 N37 I38K31-E34 PolarHBondContact O-N 3.13Å; L32-E34 VanDerWaalsContact C-N 3.33Å; L32-E34 PolarHBondContact O-N 2.78Å; E34-I36 PolarHBondContact O-N 3.24Å; E34-N37 PolarHBondContact O-N 3.4Å; E34-I38 WeakPolarHBondContact O-CB 3.49Å; E34-I38 VanDerWaalsContact O-CD1 3.28Å; E34-I38 WeakPolarHBondContact O-CD1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.44Å; E34-I38 PolarHBondContact O-N 3.17Å; E34-I38 VanDerWaalsContact O-N 3.09Å
35I83Confident81.1Confident12 Ų1259 Ų596%0.06233%0.332CS..Hα-helixtrans-64.1-43.5178.9-60.3172.3000111R9 I10 I13 L32 K33 T39 I49R9-I35 HydrophobicContact CB-CD1 3.69Å; R9-I35 HydrophobicContact CB-CG1 4.45Å; I10-I35 HydrophobicContact CD1-CD1 3.77Å; I10-I35 HydrophobicContact CD1-CG2 4.16Å; I13-I35 HydrophobicContact CD1-CD1 3.43Å; I13-I35 VanDerWaalsContact CD1-CD1 3.43Å; L32-I35 PolarHBondContact O-N 2.95Å; K33-I35 VanDerWaalsContact C-N 3.35Å; I35-T39 PolarHBondContact O-OG1 3.39Å; I35-I49 HydrophobicContact CG2-CD1 4.2Å; I35-I49 HydrophobicContact CG2-CG2 4.1Å
36I82.3Confident81Confident17 Ų1758.8 Ų58.89%0.08733%0.33CS..Hα-helixtrans-67.1-42.7179.7-66163.3000110.7L32 K33 E34 T39 L46 I53 I86 C90L32-I36 HydrophobicContact CB-CD1 4.49Å; L32-I36 WeakPolarHBondContact O-CD1 3.37Å; L32-I36 VanDerWaalsContact O-CG1 3.25Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.46Å; K33-I36 PolarHBondContact O-N 3.44Å; E34-I36 PolarHBondContact O-N 3.24Å; I36-T39 PolarHBondContact O-N 3.14Å; I36-L46 HydrophobicContact CG2-CD1 4.41Å; I36-I53 HydrophobicContact CD1-CD1 4.32Å; I36-I53 HydrophobicContact CG1-CD1 4.42Å; I36-I86 HydrophobicContact CD1-CG2 4.04Å; I36-C90 WeakPolarHBondContact CD1-SG 3.31Å
37N82.4Confident80.9Confident113 Ų11363.3 Ų63.360%0.60435%0.35SS*.Hα-helixtrans-72.3-29.8-176.8-74.6-12.3000114.1K33 E34 T39K33-N37 VanDerWaalsContact O-CB 3.31Å; K33-N37 WeakPolarHBondContact O-CB 3.33Å; K33-N37 PolarHBondContact O-N 3.43Å; K33-N37 PolarHBondContact O-ND2 3.19Å; E34-N37 PolarHBondContact O-N 3.4Å; N37-T39 PolarHBondContact O-N 2.99Å
38I79.5Confident80.8Confident124 Ų12465 Ų6564%0.63635%0.352SS*.Hα-helixtrans-71.9-23177.2-67.8163.8000111.2E34E34-I38 WeakPolarHBondContact O-CB 3.49Å; E34-I38 VanDerWaalsContact O-CD1 3.28Å; E34-I38 WeakPolarHBondContact O-CD1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.44Å; E34-I38 PolarHBondContact O-N 3.17Å; E34-I38 VanDerWaalsContact O-N 3.09Å
39T76.4Confident80.8Confident13 Ų1364.5 Ų64.58%0.0835%0.35CS..SBendtrans-92.1128.7-173.8-46.90000110.7I35 I36 N37 E45 L46 I49I35-T39 PolarHBondContact O-OG1 3.39Å; I36-T39 PolarHBondContact O-N 3.14Å; N37-T39 PolarHBondContact O-N 2.99Å; T39-E45 HydrophobicContact CG2-CB 4.07Å; T39-L46 HydrophobicContact CG2-CB 3.81Å; T39-L46 HydrophobicContact CG2-CD1 4.43Å; T39-I49 HydrophobicContact CG2-CD1 4.11Å
40P73.3Confident80.9Confident82 Ų8265.7 Ų65.753%0.53236%0.355SS..PPolyproline II helixtrans-64.6139-176.821.7-29.5000112.6G42 S43P40-G42 PolarHBondContact O-N 3Å; P40-S43 WeakPolarHBondContact O-CB 3.2Å; P40-S43 PolarHBondContact O-N 2.96Å; P40-S43 PolarHBondContact O-OG 3.13Å
41L68.8Low80.7Confident153 Ų15367.6 Ų67.680%0.80136%0.363SS*.THydrogen-bonded Turntrans-55.9128.2179.9-70.2167.8000111.2S43L41-S43 VanDerWaalsContact C-N 3.32Å; L41-S43 PolarHBondContact O-N 3.47Å
42G65.9Low80.7Confident71 Ų7163.7 Ų63.773%0.73235%0.346SS*.THydrogen-bonded Turntrans80.2217700000115.9P40P40-G42 PolarHBondContact O-N 3Å
43S79.1Confident80.7Confident24 Ų2463.8 Ų63.817%0.16835%0.347CS..  trans-66.5151.3174.861.20000112.6P40 L41 E45 L46 K47P40-S43 WeakPolarHBondContact O-CB 3.2Å; P40-S43 PolarHBondContact O-N 2.96Å; P40-S43 PolarHBondContact O-OG 3.13Å; L41-S43 VanDerWaalsContact C-N 3.32Å; L41-S43 PolarHBondContact O-N 3.47Å; S43-E45 PolarHBondContact O-N 3.5Å; S43-L46 PolarHBondContact O-N 3.44Å; S43-L46 WeakPolarHBondContact OG-CB 3.47Å; S43-L46 PolarHBondContact OG-N 3.03Å; S43-L46 VanDerWaalsContact OG-N 3.13Å; S43-K47 PolarHBondContact O-N 3.07Å
44S76.1Confident80.8Confident102 Ų10262.4 Ų62.471%0.71334%0.34SS*.Hα-helixtrans-60.8-28.2171.452.50000112.2K48S44-K48 PolarHBondContact O-N 3.36Å; S44-K48 VanDerWaalsContact O-N 3.14Å
45E79.8Confident80.9Confident126 Ų12659.7 Ų59.759%0.58934%0.336SS*.Hα-helixtrans-65.8-45.3173.7-65.2179.2175.700111.6T39 S43 K47 K48 I49T39-E45 HydrophobicContact CG2-CB 4.07Å; S43-E45 PolarHBondContact O-N 3.5Å; E45-K47 PolarHBondContact O-N 3.25Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-I49 WeakPolarHBondContact O-CG1 3.45Å; E45-I49 PolarHBondContact O-N 3.37Å
46L82.7Confident81Confident10 Ų1062.3 Ų62.35%0.05235%0.345CS..Hα-helixtrans-63.9-39.8177.2-17861.5000112I36 T39 S43 K48 I49 K50I36-L46 HydrophobicContact CG2-CD1 4.41Å; T39-L46 HydrophobicContact CG2-CB 3.81Å; T39-L46 HydrophobicContact CG2-CD1 4.43Å; S43-L46 PolarHBondContact O-N 3.44Å; S43-L46 WeakPolarHBondContact OG-CB 3.47Å; S43-L46 PolarHBondContact OG-N 3.03Å; S43-L46 VanDerWaalsContact OG-N 3.13Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 3.29Å; L46-K50 WeakPolarHBondContact O-CG 3.44Å; L46-K50 PolarHBondContact O-N 2.88Å
47K82.9Confident81.2Confident96 Ų9665.4 Ų65.442%0.41736%0.362SS..Hα-helixtrans-59.1-44.8174.2-73.6-167.7170.3-156.70111.6S43 E45 K50 Q51 E95S43-K47 PolarHBondContact O-N 3.07Å; E45-K47 PolarHBondContact O-N 3.25Å; K47-K50 PolarHBondContact O-N 3.26Å; K47-Q51 WeakPolarHBondContact O-CG 3.32Å; K47-Q51 PolarHBondContact O-N 3.39Å; K47-E95 IonicContact NZ-OE1 2.82Å; K47-E95 PolarHBondContact NZ-OE1 2.99Å
48K83.3Confident81.4Confident96 Ų9660.1 Ų60.142%0.41733%0.333SS..Hα-helixtrans-65.4-42.9178.4-167.3-177.6-177.8-173.60112.3G5 S44 E45 L46 K50 Q51 D52G5-K48 WeakPolarHBondContact O-CE 3.49Å; G5-K48 PolarHBondContact O-NZ 3.16Å; S44-K48 PolarHBondContact O-N 3.36Å; S44-K48 VanDerWaalsContact O-N 3.14Å; E45-K48 PolarHBondContact O-N 3.01Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 2.89Å; K48-K50 VanDerWaalsContact C-N 3.33Å; K48-K50 PolarHBondContact O-N 3.27Å; K48-Q51 WeakPolarHBondContact O-CB 3.21Å; K48-Q51 PolarHBondContact O-N 3.46Å; K48-D52 PolarHBondContact O-N 3.23Å
49I85Confident81.9Confident6 Ų654.3 Ų54.33%0.03130%0.304CS..Hα-helixtrans-60.4-43.3175.6-71.2167.2000110.7I10 I35 T39 E45 L46 Q51 D52 I53I10-I49 HydrophobicContact CD1-CG2 4.19Å; I10-I49 HydrophobicContact CG1-CG2 4.35Å; I35-I49 HydrophobicContact CG2-CD1 4.2Å; I35-I49 HydrophobicContact CG2-CG2 4.1Å; T39-I49 HydrophobicContact CG2-CD1 4.11Å; E45-I49 WeakPolarHBondContact O-CG1 3.45Å; E45-I49 PolarHBondContact O-N 3.37Å; L46-I49 PolarHBondContact O-N 3.29Å; I49-Q51 PolarHBondContact O-N 3.17Å; I49-D52 PolarHBondContact O-N 3.22Å; I49-I53 HydrophobicContact CG2-CD1 3.81Å; I49-I53 HydrophobicContact CG2-CG1 4.38Å; I49-I53 WeakPolarHBondContact O-CG1 3.37Å; I49-I53 PolarHBondContact O-N 3.34Å
50K87.2Confident82.4Confident24 Ų2457.3 Ų57.310%0.10432%0.317CS..Hα-helixtrans-63.5-40.8176.7-71.2179179.6-169.60112.4L46 K47 K48 I53 Y54 H89 V92 L94L46-K50 WeakPolarHBondContact O-CG 3.44Å; L46-K50 PolarHBondContact O-N 2.88Å; K47-K50 PolarHBondContact O-N 3.26Å; K48-K50 VanDerWaalsContact C-N 3.33Å; K48-K50 PolarHBondContact O-N 3.27Å; K50-I53 PolarHBondContact O-N 3.27Å; K50-Y54 PolarHBondContact O-N 2.87Å; K50-H89 WeakPolarHBondContact CE-O 3.45Å; K50-H89 PolarHBondContact NZ-O 3.31Å; K50-V92 PolarHBondContact NZ-O 3.2Å; K50-L94 HydrophobicContact CB-CD1 3.92Å; K50-L94 WeakPolarHBondContact O-CD1 3.22Å
51Q85.8Confident83.1Confident73 Ų7357.9 Ų57.934%0.34131%0.309SS..Hα-helixtrans-61.6-45.7173.4-75.3174.2-20.400111.5K47 K48 I49 I53 Y54 C55 L94K47-Q51 WeakPolarHBondContact O-CG 3.32Å; K47-Q51 PolarHBondContact O-N 3.39Å; K48-Q51 WeakPolarHBondContact O-CB 3.21Å; K48-Q51 PolarHBondContact O-N 3.46Å; I49-Q51 PolarHBondContact O-N 3.17Å; Q51-I53 PolarHBondContact O-N 2.98Å; Q51-Y54 PolarHBondContact O-N 3.46Å; Q51-C55 PolarHBondContact O-N 2.9Å; Q51-C55 PolarHBondContact O-SG 3.15Å; Q51-L94 HydrophobicContact CG-CD1 4.11Å
52D85.4Confident84Confident8 Ų850.7 Ų50.74%0.04327%0.272CS..Hα-helixtrans-60.2-45.3175.8-73.6-23.5000110.8T6 D7 I10 K48 I49 Y54 C55 Y56T6-D52 WeakPolarHBondContact CA-OD2 3.49Å; T6-D52 HydrophobicContact CG2-CB 4.23Å; D7-D52 PolarHBondContact N-OD2 2.7Å; I10-D52 HydrophobicContact CB-CB 4.45Å; I10-D52 HydrophobicContact CG2-CB 4.12Å; K48-D52 PolarHBondContact O-N 3.23Å; I49-D52 PolarHBondContact O-N 3.22Å; D52-Y54 VanDerWaalsContact C-N 3.27Å; D52-Y54 PolarHBondContact O-N 3.41Å; D52-C55 PolarHBondContact O-N 2.98Å; D52-Y56 VanDerWaalsContact O-CD2 3.22Å; D52-Y56 WeakPolarHBondContact O-CD2 3.4Å; D52-Y56 PolarHBondContact O-N 3.13Å
53I86.4Confident85Confident2 Ų247.9 Ų47.91%0.0124%0.24CC..Hα-helixtrans-58.7-39.8176.9-67.2168.2000111.3I10 L32 I36 I49 K50 Q51 L58 I59I10-I53 HydrophobicContact CD1-CD1 4.09Å; I10-I53 HydrophobicContact CD1-CG1 3.73Å; I10-I53 HydrophobicContact CG1-CG1 4.28Å; I10-I53 HydrophobicContact CG2-CG1 4.13Å; L32-I53 HydrophobicContact CD2-CD1 4.24Å; L32-I53 HydrophobicContact CD2-CG1 4.21Å; I36-I53 HydrophobicContact CD1-CD1 4.32Å; I36-I53 HydrophobicContact CG1-CD1 4.42Å; I49-I53 HydrophobicContact CG2-CD1 3.81Å; I49-I53 HydrophobicContact CG2-CG1 4.38Å; I49-I53 WeakPolarHBondContact O-CG1 3.37Å; I49-I53 PolarHBondContact O-N 3.34Å; K50-I53 PolarHBondContact O-N 3.27Å; Q51-I53 PolarHBondContact O-N 2.98Å; I53-L58 HydrophobicContact CG2-CB 3.77Å; I53-L58 HydrophobicContact CG2-CD1 4.45Å; I53-L58 WeakPolarHBondContact O-CB 3.2Å; I53-L58 PolarHBondContact O-N 2.82Å; I53-L58 VanDerWaalsContact O-N 3.13Å; I53-I59 HydrophobicContact CG2-CG1 3.93Å
54Y87.6Confident85.4Confident22 Ų2251.2 Ų51.29%0.08626%0.255CS..Hα-helixtrans-68.8-47.1176.6-178.8-121.3000112.2K50 Q51 D52 Y56 D57 I59 L94 P96 D99 F103 L107K50-Y54 PolarHBondContact O-N 2.87Å; Q51-Y54 PolarHBondContact O-N 3.46Å; D52-Y54 VanDerWaalsContact C-N 3.27Å; D52-Y54 PolarHBondContact O-N 3.41Å; Y54-Y56 PolarHBondContact O-N 2.96Å; Y54-Y56 VanDerWaalsContact O-N 3.15Å; Y54-D57 PolarHBondContact O-N 3.11Å; Y54-I59 HydrophobicContact CD2-CD1 4.05Å; Y54-I59 HydrophobicContact CG-CD1 4.48Å; Y54-L94 HydrophobicContact CD1-CD2 4.23Å; Y54-L94 HydrophobicContact CD2-CD2 4.09Å; Y54-L94 HydrophobicContact CG-CD2 3.79Å; Y54-P96 HydrophobicContact CD1-CB 4.42Å; Y54-P96 HydrophobicContact CE1-CB 3.77Å; Y54-D99 HydrophobicContact CE1-CB 4.44Å; Y54-D99 WeakPolarHBondContact OH-CB 3.27Å; Y54-D99 PolarHBondContact OH-O 3.37Å; Y54-F103 HydrophobicContact CD2-CD2 4.46Å; Y54-F103 AromaticContact CE2-CD2 3.93Å; Y54-F103 HydrophobicContact CE2-CD2 3.93Å; Y54-L107 HydrophobicContact CE2-CD1 3.77Å
55C85.2Confident85.9Confident80 Ų8046.7 Ų46.754%0.54122%0.223SC..Hα-helixtrans-64.8-18.4-179.1-680000114.8Q51 D52Q51-C55 PolarHBondContact O-N 2.9Å; Q51-C55 PolarHBondContact O-SG 3.15Å; D52-C55 PolarHBondContact O-N 2.98Å
56Y86Confident86.3Confident67 Ų6740.7 Ų40.726%0.26320%0.195SC..THydrogen-bonded Turntrans-102.117.7174.2-73.4-77.5000112.8T6 I10 L11 A14 D52 Y54 L58T6-Y56 HydrophobicContact CG2-CD2 4.37Å; T6-Y56 HydrophobicContact CG2-CE2 3.4Å; T6-Y56 VanDerWaalsContact CG2-CE2 3.4Å; I10-Y56 HydrophobicContact CG2-CD2 4.34Å; L11-Y56 WeakPolarHBondContact CD1-OH 3.43Å; A14-Y56 HydrophobicContact CB-CD1 3.9Å; A14-Y56 HydrophobicContact CB-CG 3.96Å; D52-Y56 VanDerWaalsContact O-CD2 3.22Å; D52-Y56 WeakPolarHBondContact O-CD2 3.4Å; D52-Y56 PolarHBondContact O-N 3.13Å; Y54-Y56 PolarHBondContact O-N 2.96Å; Y54-Y56 VanDerWaalsContact O-N 3.15Å; Y56-L58 PolarHBondContact O-N 2.7Å
57D85.8Confident86.4Confident82 Ų8243.2 Ų43.244%0.43921%0.214SC..THydrogen-bonded Turntrans56.817.6176.9-55.4-41000114.5Y54 I59 Q60 Y61Y54-D57 PolarHBondContact O-N 3.11Å; D57-I59 PolarHBondContact O-N 2.81Å; D57-Q60 HydrophobicContact CB-CB 4.39Å; D57-Q60 WeakPolarHBondContact O-CA 3.11Å; D57-Q60 WeakPolarHBondContact O-CB 3.45Å; D57-Q60 PolarHBondContact O-N 3.44Å; D57-Y61 HydrophobicContact CB-CD2 4.39Å; D57-Y61 HydrophobicContact CB-CE2 4.3Å; D57-Y61 WeakPolarHBondContact O-CD2 3.25Å; D57-Y61 PolarHBondContact O-N 3.36Å
58L88.3Confident86.4Confident1 Ų142.1 Ų42.11%0.00521%0.21CC..Hα-helixtrans-66.6-28.6-176.9-64179.6000111.8I10 I13 A14 V17 L29 L32 I53 Y56 Y61 C62I10-L58 HydrophobicContact CG2-CD1 3.89Å; I13-L58 HydrophobicContact CG2-CD1 4.28Å; A14-L58 HydrophobicContact CB-CD1 4.49Å; A14-L58 HydrophobicContact CB-CD2 4.24Å; V17-L58 HydrophobicContact CG2-CD2 4.24Å; L29-L58 HydrophobicContact CD2-CD2 4.21Å; L32-L58 HydrophobicContact CD1-CB 4.32Å; L32-L58 HydrophobicContact CD1-CD1 4.29Å; L32-L58 HydrophobicContact CD2-CD1 4.04Å; I53-L58 HydrophobicContact CG2-CB 3.77Å; I53-L58 HydrophobicContact CG2-CD1 4.45Å; I53-L58 WeakPolarHBondContact O-CB 3.2Å; I53-L58 PolarHBondContact O-N 2.82Å; I53-L58 VanDerWaalsContact O-N 3.13Å; Y56-L58 PolarHBondContact O-N 2.7Å; L58-Y61 HydrophobicContact CD2-CD2 4.5Å; L58-C62 PolarHBondContact O-N 3.31Å; L58-C62 PolarHBondContact O-SG 2.92Å
59I88.3Confident86.1Confident3 Ų341.4 Ų41.42%0.01521%0.211CC..Hα-helixtrans-62.9-43.7170.3-66.7-178.3000110.3I53 Y54 D57 C62 L63 L87 C90 L94I53-I59 HydrophobicContact CG2-CG1 3.93Å; Y54-I59 HydrophobicContact CD2-CD1 4.05Å; Y54-I59 HydrophobicContact CG-CD1 4.48Å; D57-I59 PolarHBondContact O-N 2.81Å; I59-C62 WeakPolarHBondContact O-CB 3.48Å; I59-C62 PolarHBondContact O-N 2.99Å; I59-L63 HydrophobicContact CG2-CD1 4.44Å; I59-L63 PolarHBondContact O-N 2.88Å; I59-L87 HydrophobicContact CB-CD1 4.37Å; I59-L87 HydrophobicContact CG2-CD1 3.59Å; I59-C90 HydrophobicContact CD1-CB 4.08Å; I59-C90 HydrophobicContact CG1-CB 4.22Å; I59-L94 HydrophobicContact CD1-CD2 4.03Å
60Q87.3Confident85.5Confident75 Ų7541.8 Ų41.835%0.3521%0.214SC..Hα-helixtrans-70-38.4179.8-159.1172.133.300111.3D57 C62 L63 L64 L107D57-Q60 HydrophobicContact CB-CB 4.39Å; D57-Q60 WeakPolarHBondContact O-CA 3.11Å; D57-Q60 WeakPolarHBondContact O-CB 3.45Å; D57-Q60 PolarHBondContact O-N 3.44Å; Q60-C62 PolarHBondContact O-N 3.45Å; Q60-L63 WeakPolarHBondContact O-CB 3.3Å; Q60-L63 PolarHBondContact O-N 3.34Å; Q60-L64 WeakPolarHBondContact O-CG 3.34Å; Q60-L64 PolarHBondContact O-N 2.89Å; Q60-L107 HydrophobicContact CB-CD2 4.46Å; Q60-L107 HydrophobicContact CG-CD2 4.1Å
61Y87.9Confident84.9Confident94 Ų9446 Ų4637%0.36925%0.246SC..Hα-helixtrans-61.8-40.8170-76.6-70000112.6V17 D57 L58 L63 L64 V65V17-Y61 HydrophobicContact CG1-CD1 4.09Å; V17-Y61 HydrophobicContact CG1-CD2 4.09Å; V17-Y61 HydrophobicContact CG1-CE1 4.27Å; V17-Y61 HydrophobicContact CG1-CE2 4.28Å; V17-Y61 HydrophobicContact CG1-CG 4Å; D57-Y61 HydrophobicContact CB-CD2 4.39Å; D57-Y61 HydrophobicContact CB-CE2 4.3Å; D57-Y61 WeakPolarHBondContact O-CD2 3.25Å; D57-Y61 PolarHBondContact O-N 3.36Å; L58-Y61 HydrophobicContact CD2-CD2 4.5Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.31Å; Y61-L64 PolarHBondContact O-N 3.44Å; Y61-V65 WeakPolarHBondContact O-CG2 3.34Å; Y61-V65 PolarHBondContact O-N 3.24Å
62C87.9Confident84.3Confident3 Ų351.2 Ų51.22%0.0226%0.263CS..Hα-helixtrans-60.4-44.5173-69.10000111.3L58 I59 Q60 V65 L66 L87L58-C62 PolarHBondContact O-N 3.31Å; L58-C62 PolarHBondContact O-SG 2.92Å; I59-C62 WeakPolarHBondContact O-CB 3.48Å; I59-C62 PolarHBondContact O-N 2.99Å; Q60-C62 PolarHBondContact O-N 3.45Å; C62-V65 PolarHBondContact O-N 3.23Å; C62-L66 WeakPolarHBondContact O-CB 3.34Å; C62-L66 VanDerWaalsContact O-CG 3.23Å; C62-L66 WeakPolarHBondContact O-CG 3.47Å; C62-L66 PolarHBondContact O-N 3.23Å; C62-L87 HydrophobicContact CB-CD1 3.97Å
63L87.8Confident84.1Confident12 Ų1251.4 Ų51.46%0.06326%0.263CS..Hα-helixtrans-60.4-46.3176.1-80.2167.5000112.6I59 Q60 Y61 V65 L66 S67 L87 L107 A111I59-L63 HydrophobicContact CG2-CD1 4.44Å; I59-L63 PolarHBondContact O-N 2.88Å; Q60-L63 WeakPolarHBondContact O-CB 3.3Å; Q60-L63 PolarHBondContact O-N 3.34Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.31Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 3.4Å; L63-L66 PolarHBondContact O-N 3.36Å; L63-S67 PolarHBondContact O-N 3.47Å; L63-L87 HydrophobicContact CD2-CD2 3.49Å; L63-L87 VanDerWaalsContact CD2-CD2 3.49Å; L63-L87 HydrophobicContact CG-CD1 4.02Å; L63-L87 HydrophobicContact CG-CD2 3.85Å; L63-L107 HydrophobicContact CD1-CB 4.41Å; L63-L107 HydrophobicContact CD1-CD2 3.66Å; L63-A111 VanDerWaalsContact CD2-CA 3.45Å; L63-A111 HydrophobicContact CD2-CB 3.73Å
64L87.3Confident83.5Confident94 Ų9456.5 Ų56.549%0.49229%0.287SS..Hα-helixtrans-60.5-44.8178.3-73.9169.7000111.1Q60 Y61 L66 S67 Q68Q60-L64 WeakPolarHBondContact O-CG 3.34Å; Q60-L64 PolarHBondContact O-N 2.89Å; Y61-L64 PolarHBondContact O-N 3.44Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.11Å; L64-S67 PolarHBondContact O-N 3.2Å; L64-S67 PolarHBondContact O-OG 3.42Å; L64-Q68 WeakPolarHBondContact O-CG 3.33Å
65V86.5Confident83.1Confident6 Ų657.6 Ų57.64%0.03631%0.306CS..Hα-helixtrans-61-42.8176170.20000111.4V25 P26 L29 Y61 C62 L63 S67 Q68 I73 L83V25-V65 HydrophobicContact CG1-CG2 4.09Å; P26-V65 HydrophobicContact CB-CG1 4.03Å; P26-V65 HydrophobicContact CG-CG1 3.75Å; P26-V65 HydrophobicContact CG-CG2 4.24Å; L29-V65 HydrophobicContact CD1-CG2 4.1Å; Y61-V65 WeakPolarHBondContact O-CG2 3.34Å; Y61-V65 PolarHBondContact O-N 3.24Å; C62-V65 PolarHBondContact O-N 3.23Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 3.4Å; V65-S67 PolarHBondContact O-N 3.31Å; V65-Q68 PolarHBondContact O-N 3.25Å; V65-I73 HydrophobicContact CG1-CD1 4.08Å; V65-I73 WeakPolarHBondContact O-CD1 3.44Å; V65-L83 HydrophobicContact CB-CD1 4.45Å; V65-L83 HydrophobicContact CG1-CD1 3.58Å
66L86.9Confident83.1Confident1 Ų154.9 Ų54.91%0.00529%0.291CS..Hα-helixtrans-69.8-18.8-179.9-69174000113.8C62 L63 L64 I80 L83 T84 L87 F115 L118C62-L66 WeakPolarHBondContact O-CB 3.34Å; C62-L66 VanDerWaalsContact O-CG 3.23Å; C62-L66 WeakPolarHBondContact O-CG 3.47Å; C62-L66 PolarHBondContact O-N 3.23Å; L63-L66 PolarHBondContact O-N 3.36Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.11Å; L66-I80 HydrophobicContact CD2-CB 4.48Å; L66-I80 HydrophobicContact CD2-CG2 3.83Å; L66-L83 HydrophobicContact CD2-CB 3.96Å; L66-L83 HydrophobicContact CG-CB 4.42Å; L66-T84 HydrophobicContact CD1-CG2 3.87Å; L66-T84 HydrophobicContact CD2-CG2 3.72Å; L66-T84 HydrophobicContact CG-CG2 4.44Å; L66-L87 HydrophobicContact CD1-CD2 3.85Å; L66-F115 HydrophobicContact CD1-CE1 4.01Å; L66-L118 HydrophobicContact CB-CD1 4.24Å; L66-L118 HydrophobicContact CD2-CD1 3.9Å
67S84.7Confident83.3Confident63 Ų6353.9 Ų53.944%0.44129%0.287SS..THydrogen-bonded Turntrans-83.5-11.217573.30000114.2L63 L64 V65L63-S67 PolarHBondContact O-N 3.47Å; L64-S67 PolarHBondContact O-N 3.2Å; L64-S67 PolarHBondContact O-OG 3.42Å; V65-S67 PolarHBondContact O-N 3.31Å
68Q83.3Confident83.4Confident73 Ų7353.2 Ų53.234%0.34129%0.286SS..SBendtrans-81.3162.4-178.8-67.3177.78.900112.6L64 V65 C70L64-Q68 WeakPolarHBondContact O-CG 3.33Å; V65-Q68 PolarHBondContact O-N 3.25Å; Q68-C70 PolarHBondContact O-N 3.33Å; Q68-C70 VanDerWaalsContact O-N 3.12Å
69D76.8Confident83.5Confident80 Ų8053.5 Ų53.543%0.42829%0.288SS..  trans-57.6116.5172.9-75.8-26.9000111S71 R72D69-S71 PolarHBondContact O-N 2.86Å; D69-R72 HydrophobicContact CB-CG 4.14Å; D69-R72 PolarHBondContact O-N 3.15Å; D69-R72 IonicContact OD2-CZ 3.56Å; D69-R72 IonicContact OD2-NE 3.55Å; D69-R72 IonicContact OD2-NH2 3.38Å; D69-R72 PolarHBondContact OD2-NH2 2.77Å
70C72.7Confident83.6Confident14 Ų1453.3 Ų53.310%0.09529%0.287CS..G310 helixtrans-56.1-23.6-177.2-59.40000114.4Q68 R72 W77 I80 Q121Q68-C70 PolarHBondContact O-N 3.33Å; Q68-C70 VanDerWaalsContact O-N 3.12Å; C70-R72 VanDerWaalsContact C-N 3.28Å; C70-R72 PolarHBondContact O-N 2.67Å; C70-W77 HydrophobicContact CB-CH2 4.01Å; C70-W77 HydrophobicContact CB-CZ2 4.11Å; C70-W77 HydrophobicContact CB-CZ3 4.36Å; C70-I80 HydrophobicContact CB-CD1 3.49Å; C70-I80 VanDerWaalsContact CB-CD1 3.49Å; C70-I80 VanDerWaalsContact SG-CD1 3.56Å; C70-Q121 PolarHBondContact SG-OE1 3.48Å
71S74.1Confident83.7Confident112 Ų11249.8 Ų49.878%0.78327%0.271SS*.G310 helixtrans-72.4-18.4177.258.40000113.9D69D69-S71 PolarHBondContact O-N 2.86Å
72R75.1Confident83.9Confident184 Ų18448.6 Ų48.669%0.69427%0.268SS*.G310 helixtrans-95.1-10.7-178-59.2-176.6-173.2-177.46.3113.1D69 C70D69-R72 HydrophobicContact CB-CG 4.14Å; D69-R72 PolarHBondContact O-N 3.15Å; D69-R72 IonicContact OD2-CZ 3.56Å; D69-R72 IonicContact OD2-NE 3.55Å; D69-R72 IonicContact OD2-NH2 3.38Å; D69-R72 PolarHBondContact OD2-NH2 2.77Å; C70-R72 VanDerWaalsContact C-N 3.28Å; C70-R72 PolarHBondContact O-N 2.67Å
73I79.6Confident84Confident11 Ų1148.5 Ų48.56%0.05627%0.267CS..SBendtrans-84.4127.8-176.1-61.4175.8000109.8P26 V65 G75 G76 T79 I80P26-I73 HydrophobicContact CB-CG2 3.91Å; P26-I73 HydrophobicContact CG-CG2 3.98Å; V65-I73 HydrophobicContact CG1-CD1 4.08Å; V65-I73 WeakPolarHBondContact O-CD1 3.44Å; I73-G75 PolarHBondContact O-N 3.03Å; I73-G76 PolarHBondContact O-N 3.23Å; I73-T79 HydrophobicContact CG2-CG2 4.04Å; I73-I80 HydrophobicContact CD1-CD1 4.03Å; I73-I80 HydrophobicContact CD1-CG1 3.86Å; I73-I80 HydrophobicContact CG2-CG1 4.46Å
74Q75.2Confident84.3Confident109 Ų10947.9 Ų47.951%0.50926%0.264SS..THydrogen-bonded Turntrans-63122.3175.8-168.4177.33.800110.5V27 T79V27-Q74 HydrophobicContact CG2-CB 4.17Å; V27-Q74 HydrophobicContact CG2-CG 4.22Å; Q74-T79 WeakPolarHBondContact O-CB 3.33Å; Q74-T79 PolarHBondContact O-OG1 2.96Å
75G77.9Confident84.5Confident46 Ų4645.8 Ų45.847%0.47425%0.252SS..THydrogen-bonded Turntrans88.60-17500000115.1I73 W77 T78 T79I73-G75 PolarHBondContact O-N 3.03Å; G75-W77 PolarHBondContact O-N 3.26Å; G75-T78 PolarHBondContact O-N 3.37Å; G75-T78 PolarHBondContact O-OG1 3.27Å; G75-T79 WeakPolarHBondContact CA-OG1 3.32Å
76G86.8Confident84.7Confident23 Ų2345.8 Ų45.824%0.23725%0.252CS..Hα-helixtrans54.5-135.1169.900000113.8I73 T78 T79 I80I73-G76 PolarHBondContact O-N 3.23Å; G76-T78 VanDerWaalsContact C-N 3.25Å; G76-T78 PolarHBondContact O-N 2.98Å; G76-T79 PolarHBondContact O-N 2.96Å; G76-I80 WeakPolarHBondContact O-CD1 3.44Å; G76-I80 WeakPolarHBondContact O-CG1 3.34Å; G76-I80 PolarHBondContact O-N 2.99Å
77W88.6Confident84.9Confident45 Ų4545.8 Ų45.817%0.1725%0.252CS..Hα-helixtrans-63.1-25.8-176.7-68116000114.5C70 G75 I80 S81 L118 Q121 L122 F141C70-W77 HydrophobicContact CB-CH2 4.01Å; C70-W77 HydrophobicContact CB-CZ2 4.11Å; C70-W77 HydrophobicContact CB-CZ3 4.36Å; G75-W77 PolarHBondContact O-N 3.26Å; W77-I80 HydrophobicContact CD2-CD1 4.46Å; W77-I80 HydrophobicContact CE3-CB 4.43Å; W77-I80 HydrophobicContact CE3-CD1 3.92Å; W77-I80 HydrophobicContact CE3-CG2 4.25Å; W77-I80 HydrophobicContact CZ3-CD1 4.2Å; W77-I80 HydrophobicContact CZ3-CG2 4.35Å; W77-S81 VanDerWaalsContact O-CB 3.27Å; W77-S81 WeakPolarHBondContact O-CB 3.5Å; W77-S81 PolarHBondContact O-N 3.38Å; W77-S81 PolarHBondContact O-OG 3.49Å; W77-L118 HydrophobicContact CZ3-CD2 4.22Å; W77-Q121 HydrophobicContact CH2-CB 3.78Å; W77-Q121 HydrophobicContact CZ2-CB 4.4Å; W77-L122 HydrophobicContact CD2-CD2 3.46Å; W77-L122 VanDerWaalsContact CD2-CD2 3.46Å; W77-L122 HydrophobicContact CD2-CG 4.24Å; W77-L122 HydrophobicContact CE3-CD1 4.14Å; W77-L122 HydrophobicContact CE3-CD2 3.45Å; W77-L122 VanDerWaalsContact CE3-CD2 3.45Å; W77-L122 HydrophobicContact CE3-CG 3.76Å; W77-L122 HydrophobicContact CG-CD2 4.06Å; W77-L122 HydrophobicContact CH2-CD2 3.97Å; W77-L122 HydrophobicContact CH2-CG 3.78Å; W77-L122 HydrophobicContact CZ2-CD2 3.96Å; W77-L122 HydrophobicContact CZ2-CG 4.23Å; W77-L122 HydrophobicContact CZ3-CD1 4.04Å; W77-L122 HydrophobicContact CZ3-CD2 3.72Å; W77-L122 HydrophobicContact CZ3-CG 3.51Å; W77-F141 HydrophobicContact CB-CB 4.45Å; W77-F141 HydrophobicContact CB-CD1 4.42Å; W77-F141 HydrophobicContact CB-CD2 3.44Å; W77-F141 VanDerWaalsContact CB-CD2 3.44Å; W77-F141 HydrophobicContact CB-CE2 3.72Å; W77-F141 HydrophobicContact CB-CG 3.86Å; W77-F141 HydrophobicContact CB-CZ 4.32Å; W77-F141 HydrophobicContact CG-CD2 4.24Å
78T89.6Confident85.3Confident68 Ų6842.9 Ų42.942%0.41723%0.231SC..Hα-helixtrans-66.3-49.4176.864.20000111.1G75 G76 S81 Q82 F141G75-T78 PolarHBondContact O-N 3.37Å; G75-T78 PolarHBondContact O-OG1 3.27Å; G76-T78 VanDerWaalsContact C-N 3.25Å; G76-T78 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-N 3.27Å; T78-Q82 VanDerWaalsContact O-CG 3.3Å; T78-Q82 WeakPolarHBondContact O-CG 3.43Å; T78-Q82 PolarHBondContact O-N 2.91Å; T78-Q82 VanDerWaalsContact O-N 3.11Å; T78-F141 HydrophobicContact CG2-CE1 3.7Å; T78-F141 HydrophobicContact CG2-CZ 3.44Å; T78-F141 VanDerWaalsContact CG2-CZ 3.44Å
79T89.1Confident85.6Confident7 Ų742.6 Ų42.64%0.04323%0.23CC..Hα-helixtrans-61.6-45.5176.9-56.50000110.9P26 L30 I73 Q74 G75 G76 S81 Q82 L83P26-T79 HydrophobicContact CB-CG2 3.78Å; L30-T79 HydrophobicContact CD1-CG2 4.1Å; L30-T79 HydrophobicContact CD2-CG2 4.3Å; L30-T79 HydrophobicContact CG-CG2 4.29Å; I73-T79 HydrophobicContact CG2-CG2 4.04Å; Q74-T79 WeakPolarHBondContact O-CB 3.33Å; Q74-T79 PolarHBondContact O-OG1 2.96Å; G75-T79 WeakPolarHBondContact CA-OG1 3.32Å; G76-T79 PolarHBondContact O-N 2.96Å; T79-S81 PolarHBondContact O-N 3.5Å; T79-Q82 PolarHBondContact O-N 3.4Å; T79-L83 HydrophobicContact CG2-CD1 3.94Å; T79-L83 HydrophobicContact CG2-CG 4.35Å; T79-L83 WeakPolarHBondContact O-CG 3.42Å; T79-L83 PolarHBondContact O-N 3.5Å
80I90.3Very high86.1Confident0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-60.9-46.3179.6-65.9163000111.3L66 C70 I73 G76 W77 Q82 L83 T84 L118L66-I80 HydrophobicContact CD2-CB 4.48Å; L66-I80 HydrophobicContact CD2-CG2 3.83Å; C70-I80 HydrophobicContact CB-CD1 3.49Å; C70-I80 VanDerWaalsContact CB-CD1 3.49Å; C70-I80 VanDerWaalsContact SG-CD1 3.56Å; I73-I80 HydrophobicContact CD1-CD1 4.03Å; I73-I80 HydrophobicContact CD1-CG1 3.86Å; I73-I80 HydrophobicContact CG2-CG1 4.46Å; G76-I80 WeakPolarHBondContact O-CD1 3.44Å; G76-I80 WeakPolarHBondContact O-CG1 3.34Å; G76-I80 PolarHBondContact O-N 2.99Å; W77-I80 HydrophobicContact CD2-CD1 4.46Å; W77-I80 HydrophobicContact CE3-CB 4.43Å; W77-I80 HydrophobicContact CE3-CD1 3.92Å; W77-I80 HydrophobicContact CE3-CG2 4.25Å; W77-I80 HydrophobicContact CZ3-CD1 4.2Å; W77-I80 HydrophobicContact CZ3-CG2 4.35Å; I80-Q82 VanDerWaalsContact C-N 3.27Å; I80-Q82 PolarHBondContact O-N 3.04Å; I80-L83 PolarHBondContact O-N 3.18Å; I80-T84 WeakPolarHBondContact O-CG2 3.48Å; I80-T84 PolarHBondContact O-N 3.49Å; I80-T84 PolarHBondContact O-OG1 2.62Å; I80-T84 VanDerWaalsContact O-OG1 3.04Å; I80-L118 HydrophobicContact CG2-CD1 3.87Å; I80-L118 HydrophobicContact CG2-CD2 4Å
81S90.6Very high86.9Confident1 Ų138.3 Ų38.31%0.00721%0.206CC..Hα-helixtrans-63.6-34.4179-58.20000112W77 T78 T79 T84 Q85 F141 I144W77-S81 VanDerWaalsContact O-CB 3.27Å; W77-S81 WeakPolarHBondContact O-CB 3.5Å; W77-S81 PolarHBondContact O-N 3.38Å; W77-S81 PolarHBondContact O-OG 3.49Å; T78-S81 PolarHBondContact O-N 3.27Å; T79-S81 PolarHBondContact O-N 3.5Å; S81-T84 WeakPolarHBondContact CA-OG1 3.35Å; S81-T84 PolarHBondContact O-OG1 3.39Å; S81-Q85 WeakPolarHBondContact O-CG 3.21Å; S81-Q85 PolarHBondContact O-N 2.98Å; S81-F141 WeakPolarHBondContact OG-CB 3.39Å; S81-F141 WeakPolarHBondContact OG-CD1 3.37Å; S81-I144 WeakPolarHBondContact O-CG2 3.29Å
82Q90.4Very high87.5Confident69 Ų6934 Ų3432%0.32218%0.175SC..Hα-helixtrans-74.1-38.4175.1-67.3-179.65.100112.3L30 T78 T79 I80 Q85 I86L30-Q82 HydrophobicContact CD2-CB 3.56Å; T78-Q82 VanDerWaalsContact O-CG 3.3Å; T78-Q82 WeakPolarHBondContact O-CG 3.43Å; T78-Q82 PolarHBondContact O-N 2.91Å; T78-Q82 VanDerWaalsContact O-N 3.11Å; T79-Q82 PolarHBondContact O-N 3.4Å; I80-Q82 VanDerWaalsContact C-N 3.27Å; I80-Q82 PolarHBondContact O-N 3.04Å; Q82-Q85 WeakPolarHBondContact O-CB 3.41Å; Q82-Q85 PolarHBondContact O-N 2.75Å; Q82-I86 VanDerWaalsContact O-CG1 3.25Å; Q82-I86 WeakPolarHBondContact O-CG1 3.08Å; Q82-I86 PolarHBondContact O-N 3.04Å
83L91.4Very high87.9Confident0 Ų027.4 Ų27.40%017%0.165CC..Hα-helixtrans-67.7-37.7176.4-71.4174.3000112.3P26 L29 L30 V65 L66 T79 I80 I86 L87P26-L83 HydrophobicContact CB-CD1 4.17Å; L29-L83 HydrophobicContact CB-CD2 3.58Å; L29-L83 HydrophobicContact CD1-CD2 4.42Å; L30-L83 HydrophobicContact CD2-CD2 4.05Å; L30-L83 HydrophobicContact CD2-CG 4.06Å; V65-L83 HydrophobicContact CB-CD1 4.45Å; V65-L83 HydrophobicContact CG1-CD1 3.58Å; L66-L83 HydrophobicContact CD2-CB 3.96Å; L66-L83 HydrophobicContact CG-CB 4.42Å; T79-L83 HydrophobicContact CG2-CD1 3.94Å; T79-L83 HydrophobicContact CG2-CG 4.35Å; T79-L83 WeakPolarHBondContact O-CG 3.42Å; T79-L83 PolarHBondContact O-N 3.5Å; I80-L83 PolarHBondContact O-N 3.18Å; L83-I86 HydrophobicContact CD2-CD1 4.28Å; L83-I86 PolarHBondContact O-N 2.89Å; L83-L87 WeakPolarHBondContact O-CB 3.35Å; L83-L87 PolarHBondContact O-N 3.23Å
84T92.8Very high88.1Confident0 Ų027.2 Ų27.20%016%0.164CC..Hα-helixtrans-62.6-41.6173.547.50000111.8L66 I80 S81 L87 S88 F115 L118 V145L66-T84 HydrophobicContact CD1-CG2 3.87Å; L66-T84 HydrophobicContact CD2-CG2 3.72Å; L66-T84 HydrophobicContact CG-CG2 4.44Å; I80-T84 WeakPolarHBondContact O-CG2 3.48Å; I80-T84 PolarHBondContact O-N 3.49Å; I80-T84 PolarHBondContact O-OG1 2.62Å; I80-T84 VanDerWaalsContact O-OG1 3.04Å; S81-T84 WeakPolarHBondContact CA-OG1 3.35Å; S81-T84 PolarHBondContact O-OG1 3.39Å; T84-L87 PolarHBondContact O-N 3.34Å; T84-S88 WeakPolarHBondContact O-CB 3.37Å; T84-S88 PolarHBondContact O-N 3.02Å; T84-F115 HydrophobicContact CG2-CD1 3.77Å; T84-F115 HydrophobicContact CG2-CE1 3.6Å; T84-F115 HydrophobicContact CG2-CZ 4.48Å; T84-F115 WeakPolarHBondContact O-CZ 3.38Å; T84-L118 HydrophobicContact CG2-CD1 3.7Å; T84-V145 HydrophobicContact CG2-CG2 4.35Å
85Q92.1Very high88.3Confident50 Ų5027.2 Ų27.223%0.23416%0.164CC..Hα-helixtrans-60.1-49.7171.6-75177-17.100111.9S81 Q82 L87 S88 H89 I144 S148S81-Q85 WeakPolarHBondContact O-CG 3.21Å; S81-Q85 PolarHBondContact O-N 2.98Å; Q82-Q85 WeakPolarHBondContact O-CB 3.41Å; Q82-Q85 PolarHBondContact O-N 2.75Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-L87 PolarHBondContact O-N 3.29Å; Q85-S88 PolarHBondContact O-N 3.47Å; Q85-H89 WeakPolarHBondContact O-CB 3.4Å; Q85-H89 PolarHBondContact O-CD2 3.32Å; Q85-H89 PolarHBondContact O-N 2.85Å; Q85-I144 HydrophobicContact CG-CG2 3.63Å; Q85-I144 VanDerWaalsContact NE2-CG2 3.28Å; Q85-S148 WeakPolarHBondContact CG-OG 3.46Å
86I90.6Very high88.2Confident5 Ų525.7 Ų25.73%0.02615%0.145CC..Hα-helixtrans-58.1-48.9179.2-67.7163.4000110L30 L32 K33 I36 Q82 L83 S88 H89 C90L30-I86 HydrophobicContact CD2-CD1 4.32Å; L32-I86 HydrophobicContact CB-CG2 4.17Å; K33-I86 HydrophobicContact CB-CD1 3.81Å; K33-I86 HydrophobicContact CB-CG1 3.97Å; K33-I86 HydrophobicContact CG-CG1 4.36Å; I36-I86 HydrophobicContact CD1-CG2 4.04Å; Q82-I86 VanDerWaalsContact O-CG1 3.25Å; Q82-I86 WeakPolarHBondContact O-CG1 3.08Å; Q82-I86 PolarHBondContact O-N 3.04Å; L83-I86 HydrophobicContact CD2-CD1 4.28Å; L83-I86 PolarHBondContact O-N 2.89Å; I86-S88 PolarHBondContact O-N 2.71Å; I86-H89 PolarHBondContact O-N 2.95Å; I86-C90 WeakPolarHBondContact O-CB 3.45Å; I86-C90 PolarHBondContact O-N 3.21Å; I86-C90 PolarHBondContact O-SG 2.86Å
87L91.6Very high87.8Confident2 Ų227.6 Ų27.61%0.0117%0.165CC..Hα-helixtrans-58.9-48.2-179.5-174.971000111.1I59 C62 L63 L66 L83 T84 Q85 H89 C90 C91 A111 F115I59-L87 HydrophobicContact CB-CD1 4.37Å; I59-L87 HydrophobicContact CG2-CD1 3.59Å; C62-L87 HydrophobicContact CB-CD1 3.97Å; L63-L87 HydrophobicContact CD2-CD2 3.49Å; L63-L87 VanDerWaalsContact CD2-CD2 3.49Å; L63-L87 HydrophobicContact CG-CD1 4.02Å; L63-L87 HydrophobicContact CG-CD2 3.85Å; L66-L87 HydrophobicContact CD1-CD2 3.85Å; L83-L87 WeakPolarHBondContact O-CB 3.35Å; L83-L87 PolarHBondContact O-N 3.23Å; T84-L87 PolarHBondContact O-N 3.34Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-L87 PolarHBondContact O-N 3.29Å; L87-H89 PolarHBondContact O-N 3.22Å; L87-C90 PolarHBondContact O-N 3.01Å; L87-C91 WeakPolarHBondContact O-CB 3.4Å; L87-C91 PolarHBondContact O-N 3.46Å; L87-C91 PolarHBondContact O-SG 2.87Å; L87-A111 HydrophobicContact CD2-CB 3.95Å; L87-F115 HydrophobicContact CB-CZ 4.19Å; L87-F115 HydrophobicContact CD2-CE1 3.73Å; L87-F115 HydrophobicContact CD2-CZ 3.84Å; L87-F115 HydrophobicContact CG-CZ 4.28Å
88S92.1Very high86.9Confident1 Ų134.9 Ų34.91%0.00720%0.201CC..Hα-helixtrans-60.7-46.8178-176.20000112.3T84 Q85 I86 C90 C91 V92 S148 L152T84-S88 WeakPolarHBondContact O-CB 3.37Å; T84-S88 PolarHBondContact O-N 3.02Å; Q85-S88 PolarHBondContact O-N 3.47Å; I86-S88 PolarHBondContact O-N 2.71Å; S88-C90 PolarHBondContact O-N 3.44Å; S88-C91 PolarHBondContact O-N 3.46Å; S88-V92 WeakPolarHBondContact O-CG2 3.34Å; S88-V92 PolarHBondContact O-N 3.12Å; S88-S148 VanDerWaalsContact CB-O 3.3Å; S88-S148 WeakPolarHBondContact CB-O 3.3Å; S88-S148 PolarHBondContact OG-O 3.23Å; S88-L152 PolarHBondContact OG-N 3.04Å
89H89.5Confident86.1Confident67 Ų6736.1 Ų36.131%0.3121%0.205SC..Hα-helixtrans-65.4-36.2178.8-79.5-65.3000113.4K50 Q85 I86 L87 W151K50-H89 WeakPolarHBondContact CE-O 3.45Å; K50-H89 PolarHBondContact NZ-O 3.31Å; Q85-H89 WeakPolarHBondContact O-CB 3.4Å; Q85-H89 PolarHBondContact O-CD2 3.32Å; Q85-H89 PolarHBondContact O-N 2.85Å; I86-H89 PolarHBondContact O-N 2.95Å; L87-H89 PolarHBondContact O-N 3.22Å; H89-W151 AromaticContact CE1-CE2 4Å; H89-W151 AromaticContact ND1-CE2 3.87Å; H89-W151 AromaticContact ND1-NE1 3.54Å
90C88.3Confident85.7Confident1 Ų137.2 Ų37.21%0.00722%0.215CC..Hα-helixtrans-68.6-41.4177-73.80000112I36 I59 I86 L87 S88I36-C90 WeakPolarHBondContact CD1-SG 3.31Å; I59-C90 HydrophobicContact CD1-CB 4.08Å; I59-C90 HydrophobicContact CG1-CB 4.22Å; I86-C90 WeakPolarHBondContact O-CB 3.45Å; I86-C90 PolarHBondContact O-N 3.21Å; I86-C90 PolarHBondContact O-SG 2.86Å; L87-C90 PolarHBondContact O-N 3.01Å; S88-C90 PolarHBondContact O-N 3.44Å
91C88.8Confident85.4Confident3 Ų344.6 Ų44.62%0.0225%0.249CC..Hα-helixtrans-71.5-31.5-178.1-70.30000113.4L87 S88 G93 F103 L108 L152 H156L87-C91 WeakPolarHBondContact O-CB 3.4Å; L87-C91 PolarHBondContact O-N 3.46Å; L87-C91 PolarHBondContact O-SG 2.87Å; S88-C91 PolarHBondContact O-N 3.46Å; C91-G93 PolarHBondContact O-N 3.23Å; C91-F103 HydrophobicContact CB-CZ 4.23Å; C91-L108 HydrophobicContact CB-CD2 3.8Å; C91-L152 HydrophobicContact CB-CD1 3.57Å; C91-H156 PolarHBondContact O-NE2 3.39Å
92V87.5Confident85.1Confident22 Ų2248.4 Ų48.413%0.13327%0.267CS..THydrogen-bonded Turntrans-79123.1-178.7174.70000111.2K50 S88 L94 L152K50-V92 PolarHBondContact NZ-O 3.2Å; S88-V92 WeakPolarHBondContact O-CG2 3.34Å; S88-V92 PolarHBondContact O-N 3.12Å; V92-L94 VanDerWaalsContact C-N 3.34Å; V92-L152 HydrophobicContact CG2-CD1 4.24Å
93G82.4Confident85Confident46 Ų4645.1 Ų45.147%0.47425%0.252SS..THydrogen-bonded Turntrans76.118.2-179.900000114.6C91C91-G93 PolarHBondContact O-N 3.23Å
94L84.4Confident84.8Confident6 Ų649.3 Ų49.33%0.03127%0.268CS..  trans-79.7138.4168.9-179.568.4000110K50 Q51 Y54 I59 V92 P96 F103K50-L94 HydrophobicContact CB-CD1 3.92Å; K50-L94 WeakPolarHBondContact O-CD1 3.22Å; Q51-L94 HydrophobicContact CG-CD1 4.11Å; Y54-L94 HydrophobicContact CD1-CD2 4.23Å; Y54-L94 HydrophobicContact CD2-CD2 4.09Å; Y54-L94 HydrophobicContact CG-CD2 3.79Å; I59-L94 HydrophobicContact CD1-CD2 4.03Å; V92-L94 VanDerWaalsContact C-N 3.34Å; L94-P96 WeakPolarHBondContact O-CD 3.4Å; L94-F103 HydrophobicContact CB-CZ 4.39Å; L94-F103 HydrophobicContact CD2-CD2 4.18Å; L94-F103 HydrophobicContact CD2-CE2 3.62Å; L94-F103 HydrophobicContact CD2-CZ 3.82Å
95E80.3Confident84.6Confident110 Ų11054.7 Ų54.751%0.51430%0.297SS..  trans-11096.4173.1-69.4169-151.500107.7K47 G97K47-E95 IonicContact NZ-OE1 2.82Å; K47-E95 PolarHBondContact NZ-OE1 2.99Å; E95-G97 VanDerWaalsContact C-N 3.26Å; E95-G97 PolarHBondContact O-N 2.99Å
96P74.7Confident84.4Confident14 Ų1458.2 Ų58.29%0.09131%0.313CS..  trans-72.8-6.2-167.626.4-34.9000115.5Y54 L94 E98 A100 F103 Y104Y54-P96 HydrophobicContact CD1-CB 4.42Å; Y54-P96 HydrophobicContact CE1-CB 3.77Å; L94-P96 WeakPolarHBondContact O-CD 3.4Å; P96-E98 PolarHBondContact O-N 2.92Å; P96-A100 HydrophobicContact CG-CB 3.88Å; P96-F103 HydrophobicContact CB-CB 3.97Å; P96-F103 HydrophobicContact CB-CD1 4.25Å; P96-F103 HydrophobicContact CB-CG 4.09Å; P96-F103 HydrophobicContact CG-CB 4.16Å; P96-F103 HydrophobicContact CG-CD1 3.84Å; P96-F103 HydrophobicContact CG-CG 4.16Å; P96-Y104 HydrophobicContact CG-CE2 3.99Å
97G79Confident84.3Confident63 Ų6358.8 Ų58.865%0.64932%0.316SS*.G310 helixtrans68.9-122.7175.800000113.2E95E95-G97 VanDerWaalsContact C-N 3.26Å; E95-G97 PolarHBondContact O-N 2.99Å
98E69.6Low84.3Confident198 Ų19858.8 Ų58.893%0.92532%0.316SS*.G310 helixtrans-74-28.2-175.5-66.3-178.9169.400113P96 A100P96-E98 PolarHBondContact O-N 2.92Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 3.38Å
99D73.7Confident84.3Confident93 Ų9360.1 Ų60.150%0.49733%0.325SS..G310 helixtrans-94.426.2-176.9-57.2-43.9000113Y54 E101 E102 F103Y54-D99 HydrophobicContact CE1-CB 4.44Å; Y54-D99 WeakPolarHBondContact OH-CB 3.27Å; Y54-D99 PolarHBondContact OH-O 3.37Å; D99-E101 VanDerWaalsContact C-N 3.28Å; D99-E101 PolarHBondContact O-N 3.26Å; D99-E102 PolarHBondContact O-N 3.35Å; D99-F103 PolarHBondContact O-N 3.21Å
100A80.2Confident84.4Confident30 Ų3059.8 Ų59.825%0.24833%0.33CS..Hα-helixtrans-59.2-36.8-175.500000113.1P96 E98 F103 Y104P96-A100 HydrophobicContact CG-CB 3.88Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 3.38Å; A100-F103 PolarHBondContact O-N 2.68Å; A100-Y104 HydrophobicContact CB-CD2 4.27Å; A100-Y104 HydrophobicContact CB-CE2 4.25Å; A100-Y104 WeakPolarHBondContact O-CD2 3.42Å; A100-Y104 PolarHBondContact O-N 2.97Å
101E82.9Confident84.7Confident155 Ų15559.7 Ų59.772%0.72433%0.33SS*.Hα-helixtrans-65.9-43.5-179.1-69.9-170.5170.700112.8D99 F103 N105D99-E101 VanDerWaalsContact C-N 3.28Å; D99-E101 PolarHBondContact O-N 3.26Å; E101-F103 VanDerWaalsContact C-N 3.32Å; E101-F103 PolarHBondContact O-N 3.38Å; E101-N105 VanDerWaalsContact O-CB 3.23Å; E101-N105 WeakPolarHBondContact O-CB 3.4Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-N105 PolarHBondContact O-ND2 3.5Å
102E84.9Confident84.9Confident82 Ų8259.7 Ų59.738%0.38333%0.33SS..Hα-helixtrans-64.4-40.4177-173.7179.4164.800110.7D99 E106 L107D99-E102 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.42Å; E102-L107 PolarHBondContact O-N 3.4Å; E102-L107 VanDerWaalsContact O-N 3.09Å
103F88.1Confident85.2Confident0 Ų061.9 Ų61.90%034%0.338CS..Iπ-helixtrans-61.4-51.7176.8-177.1-105.3000112.9Y54 C91 L94 P96 D99 A100 E101 L107 L108Y54-F103 HydrophobicContact CD2-CD2 4.46Å; Y54-F103 AromaticContact CE2-CD2 3.93Å; Y54-F103 HydrophobicContact CE2-CD2 3.93Å; C91-F103 HydrophobicContact CB-CZ 4.23Å; L94-F103 HydrophobicContact CB-CZ 4.39Å; L94-F103 HydrophobicContact CD2-CD2 4.18Å; L94-F103 HydrophobicContact CD2-CE2 3.62Å; L94-F103 HydrophobicContact CD2-CZ 3.82Å; P96-F103 HydrophobicContact CB-CB 3.97Å; P96-F103 HydrophobicContact CB-CD1 4.25Å; P96-F103 HydrophobicContact CB-CG 4.09Å; P96-F103 HydrophobicContact CG-CB 4.16Å; P96-F103 HydrophobicContact CG-CD1 3.84Å; P96-F103 HydrophobicContact CG-CG 4.16Å; D99-F103 PolarHBondContact O-N 3.21Å; A100-F103 PolarHBondContact O-N 2.68Å; E101-F103 VanDerWaalsContact C-N 3.32Å; E101-F103 PolarHBondContact O-N 3.38Å; F103-L107 HydrophobicContact CD2-CB 4.45Å; F103-L107 HydrophobicContact CD2-CD1 4.26Å; F103-L108 HydrophobicContact CD1-CD1 3.97Å; F103-L108 HydrophobicContact CD1-CG 4.17Å; F103-L108 HydrophobicContact CE1-CD1 3.55Å; F103-L108 HydrophobicContact CE1-CD2 4.13Å; F103-L108 HydrophobicContact CE1-CG 3.8Å; F103-L108 HydrophobicContact CE2-CD2 4.18Å; F103-L108 HydrophobicContact CE2-CG 4.2Å; F103-L108 HydrophobicContact CZ-CD1 4.02Å; F103-L108 HydrophobicContact CZ-CD2 3.7Å; F103-L108 HydrophobicContact CZ-CG 3.8Å; F103-L108 WeakPolarHBondContact O-CB 3.5Å; F103-L108 WeakPolarHBondContact O-CG 3.44Å; F103-L108 PolarHBondContact O-N 3.2Å
104Y88.3Confident85.6Confident87 Ų8761.1 Ų61.134%0.34132%0.324SS..Iπ-helixtrans-76.6-34.5-175.6-70.9-68.4000113.6P96 A100 L108 P109 H156P96-Y104 HydrophobicContact CG-CE2 3.99Å; A100-Y104 HydrophobicContact CB-CD2 4.27Å; A100-Y104 HydrophobicContact CB-CE2 4.25Å; A100-Y104 WeakPolarHBondContact O-CD2 3.42Å; A100-Y104 PolarHBondContact O-N 2.97Å; Y104-L108 HydrophobicContact CD1-CD1 3.6Å; Y104-L108 HydrophobicContact CE1-CD1 3.99Å; Y104-P109 VanDerWaalsContact O-CD 3.29Å; Y104-P109 WeakPolarHBondContact O-CD 3.23Å; Y104-H156 AromaticContact CE1-CE1 3.93Å; Y104-H156 AromaticContact CE1-ND1 3.84Å
105N87.6Confident86.1Confident114 Ų11461 Ų6161%0.6132%0.323SS*.Iπ-helixtrans-94.6-27.2-174.2-63.2-42.3000114.2E101 P109E101-N105 VanDerWaalsContact O-CB 3.23Å; E101-N105 WeakPolarHBondContact O-CB 3.4Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-N105 PolarHBondContact O-ND2 3.5Å; N105-P109 WeakPolarHBondContact O-CG 3.48Å
106E87.4Confident86.7Confident123 Ų12355.8 Ų55.858%0.57530%0.298SS*.Iπ-helixtrans-115-56.4-174.9-57.3-166.9172.200112.3E102 S110E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.42Å; E106-S110 WeakPolarHBondContact O-CB 3.36Å; E106-S110 PolarHBondContact O-N 3.37Å; E106-S110 VanDerWaalsContact O-N 3.17Å; E106-S110 PolarHBondContact O-OG 3.27Å
107L89.6Confident87.6Confident17 Ų1758.1 Ų58.19%0.08931%0.307CS..Iπ-helixtrans-69.3-48.7-173-70.1170.2000112.7Y54 Q60 L63 E102 F103 S110 A111Y54-L107 HydrophobicContact CE2-CD1 3.77Å; Q60-L107 HydrophobicContact CB-CD2 4.46Å; Q60-L107 HydrophobicContact CG-CD2 4.1Å; L63-L107 HydrophobicContact CD1-CB 4.41Å; L63-L107 HydrophobicContact CD1-CD2 3.66Å; E102-L107 PolarHBondContact O-N 3.4Å; E102-L107 VanDerWaalsContact O-N 3.09Å; F103-L107 HydrophobicContact CD2-CB 4.45Å; F103-L107 HydrophobicContact CD2-CD1 4.26Å; L107-S110 PolarHBondContact O-N 3.34Å; L107-A111 WeakPolarHBondContact O-CB 3.28Å; L107-A111 PolarHBondContact O-N 3.03Å
108L91.9Very high88.2Confident2 Ų255.1 Ų55.11%0.0128%0.276CS..Hα-helixtrans-65.6-47.3-178.4-78.5-176.7000113.4C91 F103 Y104 S110 A111 A112 L152 H156 L159C91-L108 HydrophobicContact CB-CD2 3.8Å; F103-L108 HydrophobicContact CD1-CD1 3.97Å; F103-L108 HydrophobicContact CD1-CG 4.17Å; F103-L108 HydrophobicContact CE1-CD1 3.55Å; F103-L108 HydrophobicContact CE1-CD2 4.13Å; F103-L108 HydrophobicContact CE1-CG 3.8Å; F103-L108 HydrophobicContact CE2-CD2 4.18Å; F103-L108 HydrophobicContact CE2-CG 4.2Å; F103-L108 HydrophobicContact CZ-CD1 4.02Å; F103-L108 HydrophobicContact CZ-CD2 3.7Å; F103-L108 HydrophobicContact CZ-CG 3.8Å; F103-L108 WeakPolarHBondContact O-CB 3.5Å; F103-L108 WeakPolarHBondContact O-CG 3.44Å; F103-L108 PolarHBondContact O-N 3.2Å; Y104-L108 HydrophobicContact CD1-CD1 3.6Å; Y104-L108 HydrophobicContact CE1-CD1 3.99Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.05Å; L108-A111 WeakPolarHBondContact O-CB 3.49Å; L108-A111 PolarHBondContact O-N 2.87Å; L108-A112 PolarHBondContact O-N 2.86Å; L108-L152 HydrophobicContact CD2-CD1 3.98Å; L108-H156 HydrophobicContact CD1-CB 4.42Å; L108-L159 HydrophobicContact CB-CD1 4.06Å; L108-L159 HydrophobicContact CB-CD2 3.95Å; L108-L159 HydrophobicContact CB-CG 4.47Å; L108-L159 HydrophobicContact CD2-CD1 4.39Å
109P92.3Very high89.3Confident29 Ų2945.8 Ų45.819%0.18823%0.233CC..Hα-helixtrans-60.6-39.3174.1-27.538.7000112.4Y104 N105 A111 A112 E113 L159Y104-P109 VanDerWaalsContact O-CD 3.29Å; Y104-P109 WeakPolarHBondContact O-CD 3.23Å; N105-P109 WeakPolarHBondContact O-CG 3.48Å; P109-A111 VanDerWaalsContact C-N 3.35Å; P109-A111 PolarHBondContact O-N 3.41Å; P109-A112 PolarHBondContact O-N 3.29Å; P109-E113 WeakPolarHBondContact O-CB 3.46Å; P109-E113 PolarHBondContact O-N 3.32Å; P109-L159 HydrophobicContact CG-CD2 4.03Å
110S91.7Very high90.1Very high60 Ų6045.5 Ų45.542%0.4223%0.225SC..Hα-helixtrans-66.3-35.4176.9-64.70000112.4E106 L107 L108 N114E106-S110 WeakPolarHBondContact O-CB 3.36Å; E106-S110 PolarHBondContact O-N 3.37Å; E106-S110 VanDerWaalsContact O-N 3.17Å; E106-S110 PolarHBondContact O-OG 3.27Å; L107-S110 PolarHBondContact O-N 3.34Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.05Å; S110-N114 WeakPolarHBondContact O-CB 3.28Å; S110-N114 PolarHBondContact O-N 3.32Å; S110-N114 PolarHBondContact O-ND2 2.8Å
111A92.9Very high90.6Very high0 Ų046.2 Ų46.20%022%0.223CC..Hα-helixtrans-62.4-48.317200000112L63 L87 L107 L108 P109 E113 N114 F115 L152L63-A111 VanDerWaalsContact CD2-CA 3.45Å; L63-A111 HydrophobicContact CD2-CB 3.73Å; L87-A111 HydrophobicContact CD2-CB 3.95Å; L107-A111 WeakPolarHBondContact O-CB 3.28Å; L107-A111 PolarHBondContact O-N 3.03Å; L108-A111 WeakPolarHBondContact O-CB 3.49Å; L108-A111 PolarHBondContact O-N 2.87Å; P109-A111 VanDerWaalsContact C-N 3.35Å; P109-A111 PolarHBondContact O-N 3.41Å; A111-E113 PolarHBondContact O-N 3.38Å; A111-N114 PolarHBondContact O-N 2.91Å; A111-F115 WeakPolarHBondContact O-CD1 3.43Å; A111-F115 VanDerWaalsContact O-CG 3.28Å; A111-F115 WeakPolarHBondContact O-CG 3.35Å; A111-F115 PolarHBondContact O-N 3.48Å; A111-L152 HydrophobicContact CB-CD2 4.15Å
112A93.3Very high90.9Very high2 Ų238.9 Ų38.92%0.01719%0.189CC..Hα-helixtrans-62-43.2178.300000111.7L108 P109 F115 L116 L149 V163L108-A112 PolarHBondContact O-N 2.86Å; P109-A112 PolarHBondContact O-N 3.29Å; A112-F115 PolarHBondContact O-N 3.36Å; A112-L116 WeakPolarHBondContact O-CG 3.43Å; A112-L116 PolarHBondContact O-N 3.43Å; A112-L116 VanDerWaalsContact O-N 3.08Å; A112-L149 HydrophobicContact CB-CD1 4.15Å; A112-V163 HydrophobicContact CB-CG2 3.97Å
113E93.4Very high91.1Very high68 Ų6835.8 Ų35.832%0.31817%0.174SC..Hα-helixtrans-66.4-42179.1-16764-16800112.1P109 A111 F115 L116 F117 S166 H168P109-E113 WeakPolarHBondContact O-CB 3.46Å; P109-E113 PolarHBondContact O-N 3.32Å; A111-E113 PolarHBondContact O-N 3.38Å; E113-F115 VanDerWaalsContact C-N 3.32Å; E113-F115 PolarHBondContact O-N 3.28Å; E113-L116 PolarHBondContact O-N 2.91Å; E113-F117 WeakPolarHBondContact O-CB 3.5Å; E113-F117 PolarHBondContact O-N 3.21Å; E113-S166 VanDerWaalsContact CD-OG 3.29Å; E113-S166 PolarHBondContact OE1-OG 3.37Å; E113-S166 VanDerWaalsContact OE2-CB 3.28Å; E113-S166 WeakPolarHBondContact OE2-CB 3.39Å; E113-S166 PolarHBondContact OE2-OG 2.94Å; E113-H168 IonicContact OE1-CD2 3.44Å; E113-H168 PolarHBondContact OE1-CD2 2.86Å; E113-H168 IonicContact OE1-CG 2.64Å; E113-H168 IonicContact OE1-NE2 2.8Å
114N92.4Very high91.2Very high31 Ų3139 Ų3917%0.16619%0.194CC..Hα-helixtrans-61.2-39.9174.1-81.5-29.6000111.9S110 A111 F117 L118S110-N114 WeakPolarHBondContact O-CB 3.28Å; S110-N114 PolarHBondContact O-N 3.32Å; S110-N114 PolarHBondContact O-ND2 2.8Å; A111-N114 PolarHBondContact O-N 2.91Å; N114-F117 PolarHBondContact O-N 3.36Å; N114-L118 WeakPolarHBondContact O-CB 3.27Å; N114-L118 VanDerWaalsContact O-CG 3.24Å; N114-L118 WeakPolarHBondContact O-CG 3.38Å; N114-L118 PolarHBondContact O-N 2.93Å
115F93.8Very high91.1Very high2 Ų237 Ų371%0.00919%0.192CC..Hα-helixtrans-63.9-41.1176.1-68.6-3.7000112L66 T84 L87 A111 A112 E113 L118 G119 V145 L149 L152L66-F115 HydrophobicContact CD1-CE1 4.01Å; T84-F115 HydrophobicContact CG2-CD1 3.77Å; T84-F115 HydrophobicContact CG2-CE1 3.6Å; T84-F115 HydrophobicContact CG2-CZ 4.48Å; T84-F115 WeakPolarHBondContact O-CZ 3.38Å; L87-F115 HydrophobicContact CB-CZ 4.19Å; L87-F115 HydrophobicContact CD2-CE1 3.73Å; L87-F115 HydrophobicContact CD2-CZ 3.84Å; L87-F115 HydrophobicContact CG-CZ 4.28Å; A111-F115 WeakPolarHBondContact O-CD1 3.43Å; A111-F115 VanDerWaalsContact O-CG 3.28Å; A111-F115 WeakPolarHBondContact O-CG 3.35Å; A111-F115 PolarHBondContact O-N 3.48Å; A112-F115 PolarHBondContact O-N 3.36Å; E113-F115 VanDerWaalsContact C-N 3.32Å; E113-F115 PolarHBondContact O-N 3.28Å; F115-L118 PolarHBondContact O-N 3.03Å; F115-G119 PolarHBondContact O-N 3.26Å; F115-V145 HydrophobicContact CB-CG1 4.35Å; F115-V145 WeakPolarHBondContact O-CG1 3.26Å; F115-L149 HydrophobicContact CB-CB 4.23Å; F115-L149 HydrophobicContact CB-CD1 4.15Å; F115-L149 HydrophobicContact CD2-CB 3.89Å; F115-L149 HydrophobicContact CD2-CD1 3.96Å; F115-L152 HydrophobicContact CD2-CD2 4.39Å; F115-L152 HydrophobicContact CE2-CD2 4.05Å
116L93.9Very high91.1Very high1 Ų131.9 Ų31.91%0.00517%0.165CC..Hα-helixtrans-64.6-42.1175-68.1172.3000111.9A112 E113 G119 R120 L149 V163 H168 F169 L172A112-L116 WeakPolarHBondContact O-CG 3.43Å; A112-L116 PolarHBondContact O-N 3.43Å; A112-L116 VanDerWaalsContact O-N 3.08Å; E113-L116 PolarHBondContact O-N 2.91Å; L116-G119 PolarHBondContact O-N 3.05Å; L116-R120 PolarHBondContact O-N 3.38Å; L116-L149 HydrophobicContact CD2-CD2 3.61Å; L116-L149 HydrophobicContact CG-CD2 4.13Å; L116-V163 HydrophobicContact CD1-CB 4.44Å; L116-V163 HydrophobicContact CD1-CG1 4.18Å; L116-V163 HydrophobicContact CD1-CG2 4.3Å; L116-V163 HydrophobicContact CD2-CG1 4.24Å; L116-H168 HydrophobicContact CB-CB 3.78Å; L116-F169 HydrophobicContact CD1-CB 4.09Å; L116-F169 HydrophobicContact CD2-CB 3.97Å; L116-F169 HydrophobicContact CD2-CD2 4.07Å; L116-L172 HydrophobicContact CD2-CD1 3.98Å
117F92.8Very high91.1Very high64 Ų6431.2 Ų31.228%0.28116%0.164SC..Hα-helixtrans-62-45.6175.9178-105.5000112.2E113 N114 G119 R120 Q121 H168E113-F117 WeakPolarHBondContact O-CB 3.5Å; E113-F117 PolarHBondContact O-N 3.21Å; N114-F117 PolarHBondContact O-N 3.36Å; F117-G119 VanDerWaalsContact C-N 3.34Å; F117-G119 PolarHBondContact O-N 2.94Å; F117-R120 WeakPolarHBondContact O-CB 3.36Å; F117-R120 PolarHBondContact O-N 3.34Å; F117-R120 VanDerWaalsContact O-N 3.14Å; F117-Q121 HydrophobicContact CD1-CG 4.49Å; F117-Q121 HydrophobicContact CE1-CG 4.11Å; F117-Q121 HydrophobicContact CZ-CG 4.14Å; F117-Q121 PolarHBondContact O-N 3.16Å; F117-H168 AromaticContact CD2-NE2 3.79Å
118L92.1Very high90.9Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-62.4-41.8175.4-71.1171.6000111.6L66 W77 I80 T84 N114 F115 R120 Q121 L122 V145L66-L118 HydrophobicContact CB-CD1 4.24Å; L66-L118 HydrophobicContact CD2-CD1 3.9Å; W77-L118 HydrophobicContact CZ3-CD2 4.22Å; I80-L118 HydrophobicContact CG2-CD1 3.87Å; I80-L118 HydrophobicContact CG2-CD2 4Å; T84-L118 HydrophobicContact CG2-CD1 3.7Å; N114-L118 WeakPolarHBondContact O-CB 3.27Å; N114-L118 VanDerWaalsContact O-CG 3.24Å; N114-L118 WeakPolarHBondContact O-CG 3.38Å; N114-L118 PolarHBondContact O-N 2.93Å; F115-L118 PolarHBondContact O-N 3.03Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.7Å; L118-Q121 PolarHBondContact O-N 3.44Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 WeakPolarHBondContact O-CG 3.4Å; L118-L122 PolarHBondContact O-N 3.47Å; L118-V145 HydrophobicContact CB-CG1 4.36Å
119G91.9Very high90.6Very high1 Ų136.9 Ų36.91%0.0120%0.196CC..Hα-helixtrans-55.4-44172.200000111.8F115 L116 F117 L122 Q123F115-G119 PolarHBondContact O-N 3.26Å; L116-G119 PolarHBondContact O-N 3.05Å; F117-G119 VanDerWaalsContact C-N 3.34Å; F117-G119 PolarHBondContact O-N 2.94Å; G119-L122 PolarHBondContact O-N 3.28Å; G119-Q123 WeakPolarHBondContact O-CB 3.29Å; G119-Q123 PolarHBondContact O-N 3.48Å
120R91.1Very high89.9Confident87 Ų8740.1 Ų40.133%0.32823%0.225SC..Hα-helixtrans-66.8-39.5178.1-176-173.1176.9-158.92.7112.4L116 F117 L118 Q123 T124 L172L116-R120 PolarHBondContact O-N 3.38Å; F117-R120 WeakPolarHBondContact O-CB 3.36Å; F117-R120 PolarHBondContact O-N 3.34Å; F117-R120 VanDerWaalsContact O-N 3.14Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.7Å; R120-Q123 WeakPolarHBondContact O-CB 3.42Å; R120-Q123 PolarHBondContact O-N 2.91Å; R120-T124 PolarHBondContact O-N 3.44Å; R120-T124 PolarHBondContact O-OG1 2.91Å; R120-L172 HydrophobicContact CB-CD2 4.48Å
121Q89.7Confident89.6Confident46 Ų4643.1 Ų43.122%0.21523%0.231CC..Hα-helixtrans-64.6-43174.8-72-159.8-8.600111.6C70 W77 F117 L118 Q123 T124 C125C70-Q121 PolarHBondContact SG-OE1 3.48Å; W77-Q121 HydrophobicContact CH2-CB 3.78Å; W77-Q121 HydrophobicContact CZ2-CB 4.4Å; F117-Q121 HydrophobicContact CD1-CG 4.49Å; F117-Q121 HydrophobicContact CE1-CG 4.11Å; F117-Q121 HydrophobicContact CZ-CG 4.14Å; F117-Q121 PolarHBondContact O-N 3.16Å; L118-Q121 PolarHBondContact O-N 3.44Å; Q121-Q123 VanDerWaalsContact C-N 3.35Å; Q121-T124 WeakPolarHBondContact O-CB 3.49Å; Q121-T124 PolarHBondContact O-N 3.08Å; Q121-C125 PolarHBondContact O-N 3.24Å; Q121-C125 PolarHBondContact O-SG 3.19Å
122L89.8Confident88.8Confident1 Ų146.5 Ų46.51%0.00526%0.259CS..Hα-helixtrans-61.1-43174.4-79.5167.7000111.6W77 L118 G119 T124 C125 F126 L138 F141 F142 V145W77-L122 HydrophobicContact CD2-CD2 3.46Å; W77-L122 VanDerWaalsContact CD2-CD2 3.46Å; W77-L122 HydrophobicContact CD2-CG 4.24Å; W77-L122 HydrophobicContact CE3-CD1 4.14Å; W77-L122 HydrophobicContact CE3-CD2 3.45Å; W77-L122 VanDerWaalsContact CE3-CD2 3.45Å; W77-L122 HydrophobicContact CE3-CG 3.76Å; W77-L122 HydrophobicContact CG-CD2 4.06Å; W77-L122 HydrophobicContact CH2-CD2 3.97Å; W77-L122 HydrophobicContact CH2-CG 3.78Å; W77-L122 HydrophobicContact CZ2-CD2 3.96Å; W77-L122 HydrophobicContact CZ2-CG 4.23Å; W77-L122 HydrophobicContact CZ3-CD1 4.04Å; W77-L122 HydrophobicContact CZ3-CD2 3.72Å; W77-L122 HydrophobicContact CZ3-CG 3.51Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 WeakPolarHBondContact O-CG 3.4Å; L118-L122 PolarHBondContact O-N 3.47Å; G119-L122 PolarHBondContact O-N 3.28Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 2.97Å; L122-C125 PolarHBondContact O-N 3.42Å; L122-F126 VanDerWaalsContact O-CB 3.25Å; L122-F126 WeakPolarHBondContact O-CB 3.4Å; L122-F126 PolarHBondContact O-N 2.97Å; L122-L138 HydrophobicContact CD2-CD2 3.89Å; L122-F141 HydrophobicContact CD1-CB 4.24Å; L122-F141 HydrophobicContact CD2-CB 4.01Å; L122-F142 HydrophobicContact CB-CB 4.46Å; L122-F142 HydrophobicContact CB-CD2 4.06Å; L122-F142 HydrophobicContact CD1-CB 4.38Å; L122-V145 HydrophobicContact CD1-CB 4.47Å; L122-V145 HydrophobicContact CD1-CG2 3.91Å
123Q89.8Confident88.2Confident16 Ų1653.6 Ų53.68%0.07529%0.292CS..Hα-helixtrans-57.6-45.4172.9178.4-16829.100111.6G119 R120 Q121 F126 I127 L172 I180G119-Q123 WeakPolarHBondContact O-CB 3.29Å; G119-Q123 PolarHBondContact O-N 3.48Å; R120-Q123 WeakPolarHBondContact O-CB 3.42Å; R120-Q123 PolarHBondContact O-N 2.91Å; Q121-Q123 VanDerWaalsContact C-N 3.35Å; Q123-F126 PolarHBondContact O-N 3.2Å; Q123-I127 HydrophobicContact CG-CD1 4.08Å; Q123-I127 VanDerWaalsContact O-CG1 3.28Å; Q123-I127 WeakPolarHBondContact O-CG1 3.18Å; Q123-I127 PolarHBondContact O-N 2.93Å; Q123-L172 HydrophobicContact CB-CD2 4.24Å; Q123-I180 HydrophobicContact CB-CD1 4.23Å; Q123-I180 HydrophobicContact CG-CD1 4.11Å; Q123-I180 HydrophobicContact CG-CG2 4.27Å
124T88.9Confident87.7Confident67 Ų6753.9 Ų53.941%0.41129%0.293SS..Hα-helixtrans-64.4-43.2178.4-54.60000111.6R120 Q121 L122 F126 I127 N128R120-T124 PolarHBondContact O-N 3.44Å; R120-T124 PolarHBondContact O-OG1 2.91Å; Q121-T124 WeakPolarHBondContact O-CB 3.49Å; Q121-T124 PolarHBondContact O-N 3.08Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 2.97Å; T124-F126 VanDerWaalsContact C-N 3.34Å; T124-F126 PolarHBondContact O-N 3.1Å; T124-I127 PolarHBondContact O-N 3.2Å; T124-N128 PolarHBondContact O-N 3.07Å; T124-N128 VanDerWaalsContact O-N 3.16Å; T124-N128 PolarHBondContact O-ND2 3.3Å
125C87.7Confident87.4Confident46 Ų4655.5 Ų55.531%0.31130%0.299SS..Hα-helixtrans-62.8-42.3175.8-65.70000111.4Q121 L122 I127 N128 A129 L138Q121-C125 PolarHBondContact O-N 3.24Å; Q121-C125 PolarHBondContact O-SG 3.19Å; L122-C125 PolarHBondContact O-N 3.42Å; C125-I127 PolarHBondContact O-N 3.32Å; C125-N128 PolarHBondContact O-N 3.49Å; C125-A129 WeakPolarHBondContact O-CB 3.46Å; C125-A129 PolarHBondContact O-N 3.43Å; C125-L138 HydrophobicContact CB-CD1 4.03Å; C125-L138 HydrophobicContact CB-CD2 4.14Å
126F87.7Confident87.1Confident7 Ų760.1 Ų60.13%0.03132%0.323CS..Hα-helixtrans-63.5-40.3179.5-178.1-81.7000112.1L122 Q123 T124 N128 A129 K135 L138 L139 N177 I180L122-F126 VanDerWaalsContact O-CB 3.25Å; L122-F126 WeakPolarHBondContact O-CB 3.4Å; L122-F126 PolarHBondContact O-N 2.97Å; Q123-F126 PolarHBondContact O-N 3.2Å; T124-F126 VanDerWaalsContact C-N 3.34Å; T124-F126 PolarHBondContact O-N 3.1Å; F126-N128 VanDerWaalsContact C-N 3.32Å; F126-A129 PolarHBondContact O-N 3.04Å; F126-K135 HydrophobicContact CD2-CB 4.13Å; F126-K135 HydrophobicContact CD2-CG 4.24Å; F126-K135 WeakPolarHBondContact CD2-O 3.5Å; F126-K135 HydrophobicContact CE2-CB 3.61Å; F126-K135 HydrophobicContact CE2-CG 3.99Å; F126-K135 VanDerWaalsContact CE2-O 3.28Å; F126-K135 WeakPolarHBondContact CE2-O 3.48Å; F126-K135 HydrophobicContact CZ-CB 4.1Å; F126-K135 HydrophobicContact CZ-CD 4.24Å; F126-K135 HydrophobicContact CZ-CG 4.22Å; F126-L138 HydrophobicContact CB-CB 4.49Å; F126-L138 HydrophobicContact CD2-CB 4.15Å; F126-L139 HydrophobicContact CD2-CB 4.45Å; F126-L139 HydrophobicContact CE2-CB 4.08Å; F126-L139 HydrophobicContact CE2-CD1 4.19Å; F126-N177 WeakPolarHBondContact CE1-ND2 3.27Å; F126-I180 HydrophobicContact CB-CD1 3.83Å; F126-I180 HydrophobicContact CD1-CD1 3.52Å; F126-I180 HydrophobicContact CD1-CG1 4.31Å; F126-I180 HydrophobicContact CD2-CD1 4.35Å; F126-I180 HydrophobicContact CE1-CD1 4.19Å; F126-I180 HydrophobicContact CG-CD1 3.63Å
127I85.8Confident86.9Confident108 Ų10865.9 Ų65.955%0.55435%0.35SS*.Hα-helixtrans-63.7-39.8175.5-69165.1000110.9Q123 T124 C125Q123-I127 HydrophobicContact CG-CD1 4.08Å; Q123-I127 VanDerWaalsContact O-CG1 3.28Å; Q123-I127 WeakPolarHBondContact O-CG1 3.18Å; Q123-I127 PolarHBondContact O-N 2.93Å; T124-I127 PolarHBondContact O-N 3.2Å; C125-I127 PolarHBondContact O-N 3.32Å
128N85.9Confident86.7Confident127 Ų12763.9 Ų63.968%0.67934%0.342SS*.Hα-helixtrans-82-15.4-177.6-67.2-24000114.1T124 C125 F126T124-N128 PolarHBondContact O-N 3.07Å; T124-N128 VanDerWaalsContact O-N 3.16Å; T124-N128 PolarHBondContact O-ND2 3.3Å; C125-N128 PolarHBondContact O-N 3.49Å; F126-N128 VanDerWaalsContact C-N 3.32Å
129A86.4Confident86.6Confident12 Ų1265.2 Ų65.210%0.09935%0.349CS..  trans-66.2133.5-179.500000111.3C125 F126 K135 L138C125-A129 WeakPolarHBondContact O-CB 3.46Å; C125-A129 PolarHBondContact O-N 3.43Å; F126-A129 PolarHBondContact O-N 3.04Å; A129-K135 HydrophobicContact CB-CG 3.82Å; A129-K135 WeakPolarHBondContact O-CE 3.42Å; A129-K135 PolarHBondContact O-NZ 3.42Å; A129-K135 VanDerWaalsContact O-NZ 3.14Å; A129-L138 HydrophobicContact CB-CD1 4.06Å
130A76.3Confident86.6Confident97 Ų9770 Ų7080%0.80237%0.371SS*.  trans-92.9-34.1-179.800000112.5
131K85.3Confident86.6Confident123 Ų12367.1 Ų67.154%0.53536%0.361SS..SBendtrans-90.1148.1-176.8-55.5-171.3-160.4134.10112E134 K135K131-E134 HydrophobicContact CB-CB 4.26Å; K131-E134 HydrophobicContact CB-CG 4.05Å; K131-E134 HydrophobicContact CD-CG 4.46Å; K131-E134 WeakPolarHBondContact CD-OE1 3.42Å; K131-E134 WeakPolarHBondContact CE-OE1 3.32Å; K131-E134 IonicContact NZ-OE1 2.75Å; K131-E134 PolarHBondContact NZ-OE1 3.42Å; K131-K135 WeakPolarHBondContact O-CG 3.32Å; K131-K135 PolarHBondContact O-N 2.89Å
132A77.5Confident86.8Confident71 Ų7165.1 Ų65.159%0.58735%0.352SS*.Hα-helixtrans-69-42.1177.900000112.2E134 K135 D136A132-E134 VanDerWaalsContact C-N 3.35Å; A132-E134 PolarHBondContact O-N 3.3Å; A132-K135 WeakPolarHBondContact O-CA 3.42Å; A132-K135 WeakPolarHBondContact O-CB 3.38Å; A132-K135 PolarHBondContact O-N 3.34Å; A132-D136 PolarHBondContact O-N 3.41Å
133E80.3Confident86.9Confident151 Ų15169 Ų6971%0.70637%0.37SS*.Hα-helixtrans-60.3-43.5178.6-64.4170.5178.400111.8K135 D136 E137E133-K135 VanDerWaalsContact C-N 3.26Å; E133-K135 PolarHBondContact O-N 3.09Å; E133-D136 PolarHBondContact O-N 3.17Å; E133-E137 PolarHBondContact O-N 2.89Å; E133-E137 VanDerWaalsContact O-N 3.12Å
134E83.9Confident87Confident74 Ų7469.3 Ų69.335%0.34637%0.372SS..Hα-helixtrans-63.7-32175.8-67.5169.9-172.600111.8K131 A132 L138K131-E134 HydrophobicContact CB-CB 4.26Å; K131-E134 HydrophobicContact CB-CG 4.05Å; K131-E134 HydrophobicContact CD-CG 4.46Å; K131-E134 WeakPolarHBondContact CD-OE1 3.42Å; K131-E134 WeakPolarHBondContact CE-OE1 3.32Å; K131-E134 IonicContact NZ-OE1 2.75Å; K131-E134 PolarHBondContact NZ-OE1 3.42Å; A132-E134 VanDerWaalsContact C-N 3.35Å; A132-E134 PolarHBondContact O-N 3.3Å; E134-L138 WeakPolarHBondContact O-CB 3.46Å; E134-L138 WeakPolarHBondContact O-CD1 3.28Å; E134-L138 WeakPolarHBondContact O-CG 3.37Å; E134-L138 PolarHBondContact O-N 2.98Å; E134-L138 VanDerWaalsContact O-N 3.08Å
135K85.9Confident87.2Confident65 Ų6566.2 Ų66.228%0.28335%0.353SS..Hα-helixtrans-70.6-41.7175.8-76.6178.6-179.2173.50112.1F126 A129 K131 A132 E133 E137 L138 L139F126-K135 HydrophobicContact CD2-CB 4.13Å; F126-K135 HydrophobicContact CD2-CG 4.24Å; F126-K135 WeakPolarHBondContact CD2-O 3.5Å; F126-K135 HydrophobicContact CE2-CB 3.61Å; F126-K135 HydrophobicContact CE2-CG 3.99Å; F126-K135 VanDerWaalsContact CE2-O 3.28Å; F126-K135 WeakPolarHBondContact CE2-O 3.48Å; F126-K135 HydrophobicContact CZ-CB 4.1Å; F126-K135 HydrophobicContact CZ-CD 4.24Å; F126-K135 HydrophobicContact CZ-CG 4.22Å; A129-K135 HydrophobicContact CB-CG 3.82Å; A129-K135 WeakPolarHBondContact O-CE 3.42Å; A129-K135 PolarHBondContact O-NZ 3.42Å; A129-K135 VanDerWaalsContact O-NZ 3.14Å; K131-K135 WeakPolarHBondContact O-CG 3.32Å; K131-K135 PolarHBondContact O-N 2.89Å; A132-K135 WeakPolarHBondContact O-CA 3.42Å; A132-K135 WeakPolarHBondContact O-CB 3.38Å; A132-K135 PolarHBondContact O-N 3.34Å; E133-K135 VanDerWaalsContact C-N 3.26Å; E133-K135 PolarHBondContact O-N 3.09Å; K135-E137 VanDerWaalsContact C-N 3.34Å; K135-L138 PolarHBondContact O-N 2.99Å; K135-L139 VanDerWaalsContact O-CB 3.28Å; K135-L139 WeakPolarHBondContact O-CB 3.24Å; K135-L139 PolarHBondContact O-N 3Å
136D87.1Confident87.4Confident99 Ų9964.6 Ų64.653%0.52934%0.342SS..Hα-helixtrans-65.1-40.5178.8-69.1-26000111.1A132 E133 L139 H140A132-D136 PolarHBondContact O-N 3.41Å; E133-D136 PolarHBondContact O-N 3.17Å; D136-L139 PolarHBondContact O-N 3.24Å; D136-H140 PolarHBondContact O-N 3.01Å
137E88.3Confident87.6Confident122 Ų12269.2 Ų69.257%0.5737%0.367SS*.Hα-helixtrans-63-47.4173.4-71-177.3177.800112.2E133 K135 L139 H140 F141E133-E137 PolarHBondContact O-N 2.89Å; E133-E137 VanDerWaalsContact O-N 3.12Å; K135-E137 VanDerWaalsContact C-N 3.34Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.31Å; E137-H140 WeakPolarHBondContact O-CB 3.44Å; E137-H140 PolarHBondContact O-N 2.93Å; E137-F141 HydrophobicContact CB-CE2 4.24Å; E137-F141 WeakPolarHBondContact O-CD2 3.14Å; E137-F141 WeakPolarHBondContact O-CG 3.29Å; E137-F141 PolarHBondContact O-N 3.49Å
138L89.6Confident88Confident21 Ų2164.4 Ų64.411%0.1134%0.343CS..Hα-helixtrans-63.3-36.3177.8-73.1171.2000112.4L122 C125 F126 A129 E134 K135 F141 F142L122-L138 HydrophobicContact CD2-CD2 3.89Å; C125-L138 HydrophobicContact CB-CD1 4.03Å; C125-L138 HydrophobicContact CB-CD2 4.14Å; F126-L138 HydrophobicContact CB-CB 4.49Å; F126-L138 HydrophobicContact CD2-CB 4.15Å; A129-L138 HydrophobicContact CB-CD1 4.06Å; E134-L138 WeakPolarHBondContact O-CB 3.46Å; E134-L138 WeakPolarHBondContact O-CD1 3.28Å; E134-L138 WeakPolarHBondContact O-CG 3.37Å; E134-L138 PolarHBondContact O-N 2.98Å; E134-L138 VanDerWaalsContact O-N 3.08Å; K135-L138 PolarHBondContact O-N 2.99Å; L138-F141 PolarHBondContact O-N 3.09Å; L138-F142 WeakPolarHBondContact O-CB 3.4Å; L138-F142 PolarHBondContact O-N 3.22Å
139L89.6Confident88.4Confident28 Ų2858.6 Ų58.615%0.14731%0.311CS..Hα-helixtrans-67.2-39.3175.2-174.1125.3000111.6F126 K135 D136 E137 F142 Q143 Q179F126-L139 HydrophobicContact CD2-CB 4.45Å; F126-L139 HydrophobicContact CE2-CB 4.08Å; F126-L139 HydrophobicContact CE2-CD1 4.19Å; K135-L139 VanDerWaalsContact O-CB 3.28Å; K135-L139 WeakPolarHBondContact O-CB 3.24Å; K135-L139 PolarHBondContact O-N 3Å; D136-L139 PolarHBondContact O-N 3.24Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.31Å; L139-F142 WeakPolarHBondContact O-CB 3.23Å; L139-F142 PolarHBondContact O-N 2.72Å; L139-Q143 WeakPolarHBondContact O-CG 2.87Å; L139-Q143 PolarHBondContact O-N 3.48Å; L139-Q179 HydrophobicContact CD1-CB 3.53Å; L139-Q179 HydrophobicContact CD1-CG 4.26Å
140H91.7Very high88.6Confident102 Ų10261.1 Ų61.147%0.47232%0.32SS..Hα-helixtrans-61.3-45.4174.2-179.158000111.7D136 E137 F142 Q143 I144D136-H140 PolarHBondContact O-N 3.01Å; E137-H140 WeakPolarHBondContact O-CB 3.44Å; E137-H140 PolarHBondContact O-N 2.93Å; H140-F142 VanDerWaalsContact C-N 3.34Å; H140-F142 PolarHBondContact O-N 3.4Å; H140-Q143 PolarHBondContact O-N 2.92Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.05Å; H140-I144 WeakPolarHBondContact O-CG1 3.35Å; H140-I144 PolarHBondContact O-N 3Å
141F92.3Very high89.3Confident27 Ų2762.4 Ų62.412%0.11830%0.304CS..Hα-helixtrans-63.6-39.4174.6-61-46.5000112.3W77 T78 S81 L122 E137 L138 Q143 I144 V145W77-F141 HydrophobicContact CB-CB 4.45Å; W77-F141 HydrophobicContact CB-CD1 4.42Å; W77-F141 HydrophobicContact CB-CD2 3.44Å; W77-F141 VanDerWaalsContact CB-CD2 3.44Å; W77-F141 HydrophobicContact CB-CE2 3.72Å; W77-F141 HydrophobicContact CB-CG 3.86Å; W77-F141 HydrophobicContact CB-CZ 4.32Å; W77-F141 HydrophobicContact CG-CD2 4.24Å; T78-F141 HydrophobicContact CG2-CE1 3.7Å; T78-F141 HydrophobicContact CG2-CZ 3.44Å; T78-F141 VanDerWaalsContact CG2-CZ 3.44Å; S81-F141 WeakPolarHBondContact OG-CB 3.39Å; S81-F141 WeakPolarHBondContact OG-CD1 3.37Å; L122-F141 HydrophobicContact CD1-CB 4.24Å; L122-F141 HydrophobicContact CD2-CB 4.01Å; E137-F141 HydrophobicContact CB-CE2 4.24Å; E137-F141 WeakPolarHBondContact O-CD2 3.14Å; E137-F141 WeakPolarHBondContact O-CG 3.29Å; E137-F141 PolarHBondContact O-N 3.49Å; L138-F141 PolarHBondContact O-N 3.09Å; F141-Q143 PolarHBondContact O-N 3.47Å; F141-I144 HydrophobicContact CD1-CD1 4.44Å; F141-I144 PolarHBondContact O-N 3.02Å; F141-V145 WeakPolarHBondContact O-CG2 3.42Å; F141-V145 PolarHBondContact O-N 3.1Å
142F92.6Very high89.6Confident3 Ų356.5 Ų56.51%0.01328%0.279CS..Hα-helixtrans-59.5-46.7175.4-177.4-93000111.6L122 L138 L139 H140 I144 V145 T146 L172 I180 A183 V184L122-F142 HydrophobicContact CB-CB 4.46Å; L122-F142 HydrophobicContact CB-CD2 4.06Å; L122-F142 HydrophobicContact CD1-CB 4.38Å; L138-F142 WeakPolarHBondContact O-CB 3.4Å; L138-F142 PolarHBondContact O-N 3.22Å; L139-F142 WeakPolarHBondContact O-CB 3.23Å; L139-F142 PolarHBondContact O-N 2.72Å; H140-F142 VanDerWaalsContact C-N 3.34Å; H140-F142 PolarHBondContact O-N 3.4Å; F142-I144 VanDerWaalsContact C-N 3.34Å; F142-I144 PolarHBondContact O-N 3.15Å; F142-V145 PolarHBondContact O-N 3.14Å; F142-T146 HydrophobicContact CD1-CG2 4.03Å; F142-T146 HydrophobicContact CE1-CG2 3.54Å; F142-T146 HydrophobicContact CE2-CG2 4.28Å; F142-T146 HydrophobicContact CZ-CG2 3.67Å; F142-T146 WeakPolarHBondContact O-CG2 3.43Å; F142-T146 PolarHBondContact O-N 2.89Å; F142-T146 PolarHBondContact O-OG1 3.14Å; F142-L172 HydrophobicContact CE2-CD2 3.84Å; F142-L172 HydrophobicContact CZ-CD2 4.22Å; F142-I180 HydrophobicContact CE1-CG2 4.12Å; F142-I180 HydrophobicContact CE2-CG2 4.18Å; F142-I180 HydrophobicContact CZ-CG2 3.79Å; F142-A183 HydrophobicContact CD1-CB 4.44Å; F142-A183 HydrophobicContact CE1-CB 3.91Å; F142-V184 HydrophobicContact CE1-CG2 4.24Å; F142-V184 HydrophobicContact CZ-CG2 3.7Å
143Q92.4Very high90.3Very high83 Ų8353.1 Ų53.139%0.38825%0.251SS..Hα-helixtrans-58.6-44.9175.8-73.8173.4-11.400111.7L139 H140 F141 V145 T146 D147L139-Q143 WeakPolarHBondContact O-CG 2.87Å; L139-Q143 PolarHBondContact O-N 3.48Å; H140-Q143 PolarHBondContact O-N 2.92Å; F141-Q143 PolarHBondContact O-N 3.47Å; Q143-V145 VanDerWaalsContact C-N 3.32Å; Q143-V145 PolarHBondContact O-N 3.38Å; Q143-T146 WeakPolarHBondContact CA-OG1 3.25Å; Q143-T146 PolarHBondContact O-N 2.88Å; Q143-T146 PolarHBondContact O-OG1 3.41Å; Q143-D147 VanDerWaalsContact O-CB 3.27Å; Q143-D147 WeakPolarHBondContact O-CB 3.42Å; Q143-D147 PolarHBondContact O-N 3.34Å
144I92.4Very high90.6Very high22 Ų2248.1 Ų48.111%0.11324%0.24CC..Hα-helixtrans-58.7-44.5177.1-69.4166.1000111.5S81 Q85 H140 F141 F142 S148S81-I144 WeakPolarHBondContact O-CG2 3.29Å; Q85-I144 HydrophobicContact CG-CG2 3.63Å; Q85-I144 VanDerWaalsContact NE2-CG2 3.28Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.05Å; H140-I144 WeakPolarHBondContact O-CG1 3.35Å; H140-I144 PolarHBondContact O-N 3Å; F141-I144 HydrophobicContact CD1-CD1 4.44Å; F141-I144 PolarHBondContact O-N 3.02Å; F142-I144 VanDerWaalsContact C-N 3.34Å; F142-I144 PolarHBondContact O-N 3.15Å; I144-S148 VanDerWaalsContact O-CB 3.29Å; I144-S148 WeakPolarHBondContact O-CB 3.5Å; I144-S148 PolarHBondContact O-N 2.92Å; I144-S148 PolarHBondContact O-OG 3.42Å
145V93.5Very high90.7Very high3 Ų346.3 Ų46.32%0.01824%0.241CC..Hα-helixtrans-66.5-44.1179.3174.60000110.8T84 F115 L118 L122 F141 F142 Q143 S148 L149T84-V145 HydrophobicContact CG2-CG2 4.35Å; F115-V145 HydrophobicContact CB-CG1 4.35Å; F115-V145 WeakPolarHBondContact O-CG1 3.26Å; L118-V145 HydrophobicContact CB-CG1 4.36Å; L122-V145 HydrophobicContact CD1-CB 4.47Å; L122-V145 HydrophobicContact CD1-CG2 3.91Å; F141-V145 WeakPolarHBondContact O-CG2 3.42Å; F141-V145 PolarHBondContact O-N 3.1Å; F142-V145 PolarHBondContact O-N 3.14Å; Q143-V145 VanDerWaalsContact C-N 3.32Å; Q143-V145 PolarHBondContact O-N 3.38Å; V145-S148 PolarHBondContact O-N 3.22Å; V145-L149 PolarHBondContact O-N 3.37Å
146T91.8Very high90.9Very high12 Ų1244.3 Ų44.37%0.07423%0.232CC..Hα-helixtrans-66.6-38.4177.953.50000112.7F142 Q143 S148 L149 F150 M187F142-T146 HydrophobicContact CD1-CG2 4.03Å; F142-T146 HydrophobicContact CE1-CG2 3.54Å; F142-T146 HydrophobicContact CE2-CG2 4.28Å; F142-T146 HydrophobicContact CZ-CG2 3.67Å; F142-T146 WeakPolarHBondContact O-CG2 3.43Å; F142-T146 PolarHBondContact O-N 2.89Å; F142-T146 PolarHBondContact O-OG1 3.14Å; Q143-T146 WeakPolarHBondContact CA-OG1 3.25Å; Q143-T146 PolarHBondContact O-N 2.88Å; Q143-T146 PolarHBondContact O-OG1 3.41Å; T146-S148 VanDerWaalsContact C-N 3.35Å; T146-L149 PolarHBondContact O-N 3.49Å; T146-F150 WeakPolarHBondContact O-CB 3.44Å; T146-F150 PolarHBondContact O-N 3.33Å; T146-M187 HydrophobicContact CG2-SD 4.09Å
147D91.8Very high90.9Very high104 Ų10442.1 Ų42.156%0.55622%0.223SC*.Hα-helixtrans-67.8-38.3176.6-70.1-15.4000110.8Q143 F150 W151Q143-D147 VanDerWaalsContact O-CB 3.27Å; Q143-D147 WeakPolarHBondContact O-CB 3.42Å; Q143-D147 PolarHBondContact O-N 3.34Å; D147-F150 PolarHBondContact O-N 2.83Å; D147-W151 WeakPolarHBondContact O-CB 3.49Å; D147-W151 PolarHBondContact O-N 2.88Å
148S93.4Very high90.8Very high7 Ų743.5 Ų43.55%0.04923%0.229CC..Hα-helixtrans-65.4-41.1174.6-58.50000111.4Q85 S88 I144 V145 T146 L152Q85-S148 WeakPolarHBondContact CG-OG 3.46Å; S88-S148 VanDerWaalsContact CB-O 3.3Å; S88-S148 WeakPolarHBondContact CB-O 3.3Å; S88-S148 PolarHBondContact OG-O 3.23Å; I144-S148 VanDerWaalsContact O-CB 3.29Å; I144-S148 WeakPolarHBondContact O-CB 3.5Å; I144-S148 PolarHBondContact O-N 2.92Å; I144-S148 PolarHBondContact O-OG 3.42Å; V145-S148 PolarHBondContact O-N 3.22Å; T146-S148 VanDerWaalsContact C-N 3.35Å; S148-L152 PolarHBondContact O-N 3.18Å; S148-L152 VanDerWaalsContact O-N 3.1Å
149L93.5Very high90.8Very high4 Ų442.8 Ų42.82%0.02123%0.225CC..Hα-helixtrans-63.4-44.1172.6178.762.3000111.4A112 F115 L116 V145 T146 W151 L152 L153 V163 M187A112-L149 HydrophobicContact CB-CD1 4.15Å; F115-L149 HydrophobicContact CB-CB 4.23Å; F115-L149 HydrophobicContact CB-CD1 4.15Å; F115-L149 HydrophobicContact CD2-CB 3.89Å; F115-L149 HydrophobicContact CD2-CD1 3.96Å; L116-L149 HydrophobicContact CD2-CD2 3.61Å; L116-L149 HydrophobicContact CG-CD2 4.13Å; V145-L149 PolarHBondContact O-N 3.37Å; T146-L149 PolarHBondContact O-N 3.49Å; L149-W151 PolarHBondContact O-N 3.43Å; L149-L152 WeakPolarHBondContact O-CB 3.4Å; L149-L152 PolarHBondContact O-N 2.95Å; L149-L153 HydrophobicContact CD1-CD1 4.32Å; L149-L153 HydrophobicContact CD1-CG 4.39Å; L149-L153 HydrophobicContact CG-CD1 4.04Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 3.41Å; L149-V163 HydrophobicContact CD1-CG2 4.19Å; L149-M187 HydrophobicContact CD2-CE 4.23Å; L149-M187 HydrophobicContact CD2-SD 4.02Å
150F90.8Very high90.9Very high66 Ų6641.5 Ų41.529%0.28922%0.219SC..Hα-helixtrans-62.9-41.9178.3-177-108000112.3T146 D147 L152 L153 G154 N190 I194T146-F150 WeakPolarHBondContact O-CB 3.44Å; T146-F150 PolarHBondContact O-N 3.33Å; D147-F150 PolarHBondContact O-N 2.83Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.5Å; F150-L153 PolarHBondContact O-N 3.29Å; F150-G154 PolarHBondContact O-N 3.21Å; F150-N190 HydrophobicContact CD2-CB 4.07Å; F150-N190 HydrophobicContact CE2-CB 3.29Å; F150-N190 HydrophobicContact CZ-CB 3.66Å; F150-I194 HydrophobicContact CD2-CD1 4.28Å; F150-I194 HydrophobicContact CE2-CD1 3.37Å; F150-I194 HydrophobicContact CE2-CG1 4.39Å; F150-I194 HydrophobicContact CZ-CD1 3.64Å; F150-I194 HydrophobicContact CZ-CG1 4.45Å
151W91.8Very high90.8Very high123 Ų12339.7 Ų39.747%0.46621%0.21SC..Hα-helixtrans-59.3-42.1173.8-175.5-94.5000111.9H89 D147 L149 G154 G155H89-W151 AromaticContact CE1-CE2 4Å; H89-W151 AromaticContact ND1-CE2 3.87Å; H89-W151 AromaticContact ND1-NE1 3.54Å; D147-W151 WeakPolarHBondContact O-CB 3.49Å; D147-W151 PolarHBondContact O-N 2.88Å; L149-W151 PolarHBondContact O-N 3.43Å; W151-G154 PolarHBondContact O-N 3.16Å; W151-G155 PolarHBondContact O-N 3.27Å
152L92.1Very high90.7Very high0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-62.9-45.1177.3-172.668000111.5S88 C91 V92 L108 A111 F115 S148 L149 F150 G155 H156 L159S88-L152 PolarHBondContact OG-N 3.04Å; C91-L152 HydrophobicContact CB-CD1 3.57Å; V92-L152 HydrophobicContact CG2-CD1 4.24Å; L108-L152 HydrophobicContact CD2-CD1 3.98Å; A111-L152 HydrophobicContact CB-CD2 4.15Å; F115-L152 HydrophobicContact CD2-CD2 4.39Å; F115-L152 HydrophobicContact CE2-CD2 4.05Å; S148-L152 PolarHBondContact O-N 3.18Å; S148-L152 VanDerWaalsContact O-N 3.1Å; L149-L152 WeakPolarHBondContact O-CB 3.4Å; L149-L152 PolarHBondContact O-N 2.95Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.5Å; L152-G155 PolarHBondContact O-N 2.94Å; L152-H156 PolarHBondContact O-N 3.46Å; L152-L159 HydrophobicContact CD2-CD1 4.02Å; L152-L159 HydrophobicContact CG-CD1 3.94Å
153L90.6Very high90.6Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-65.4-37.1177.9-68168.4000112.6L149 F150 G155 H156 V157 L159 I160 V163 I191L149-L153 HydrophobicContact CD1-CD1 4.32Å; L149-L153 HydrophobicContact CD1-CG 4.39Å; L149-L153 HydrophobicContact CG-CD1 4.04Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 3.41Å; F150-L153 PolarHBondContact O-N 3.29Å; L153-G155 VanDerWaalsContact C-N 3.27Å; L153-G155 PolarHBondContact O-N 3.08Å; L153-H156 CarbonylContact O-C 3.47Å; L153-H156 VanDerWaalsContact O-C 3.28Å; L153-H156 PolarHBondContact O-N 2.88Å; L153-V157 PolarHBondContact O-N 2.94Å; L153-L159 HydrophobicContact CD2-CB 3.66Å; L153-I160 HydrophobicContact CB-CG1 4.47Å; L153-I160 HydrophobicContact CD2-CG1 3.96Å; L153-V163 HydrophobicContact CD1-CG2 4.36Å; L153-V163 HydrophobicContact CD2-CB 4.47Å; L153-V163 HydrophobicContact CD2-CG2 3.84Å; L153-I191 HydrophobicContact CD1-CD1 3.76Å; L153-I191 HydrophobicContact CD1-CG1 3.9Å
154G87.5Confident90.5Very high46 Ų4637.6 Ų37.647%0.47420%0.203SC..Hα-helixtrans-64-32.1174.800000113F150 W151F150-G154 PolarHBondContact O-N 3.21Å; W151-G154 PolarHBondContact O-N 3.16Å
155G85.8Confident90.5Very high36 Ų3640.4 Ų40.437%0.37122%0.216SC..Hα-helixtrans-79.8-31.9173.300000114.2W151 L152 L153W151-G155 PolarHBondContact O-N 3.27Å; L152-G155 PolarHBondContact O-N 2.94Å; L153-G155 VanDerWaalsContact C-N 3.27Å; L153-G155 PolarHBondContact O-N 3.08Å
156H89.8Confident90.5Very high22 Ų2240.8 Ų40.810%0.10222%0.219CC..  trans-133.582.4-172.3-62.8-65.9000111.1C91 Y104 L108 L152 L153 E158 L159C91-H156 PolarHBondContact O-NE2 3.39Å; Y104-H156 AromaticContact CE1-CE1 3.93Å; Y104-H156 AromaticContact CE1-ND1 3.84Å; L108-H156 HydrophobicContact CD1-CB 4.42Å; L152-H156 PolarHBondContact O-N 3.46Å; L153-H156 CarbonylContact O-C 3.47Å; L153-H156 VanDerWaalsContact O-C 3.28Å; L153-H156 PolarHBondContact O-N 2.88Å; H156-E158 PolarHBondContact O-N 2.98Å; H156-E158 VanDerWaalsContact O-N 3.14Å; H156-L159 HydrophobicContact CB-CD1 3.83Å; H156-L159 HydrophobicContact CB-CG 4.09Å; H156-L159 WeakPolarHBondContact O-CB 3.46Å; H156-L159 PolarHBondContact O-N 3.23Å; H156-L159 VanDerWaalsContact O-N 3.1Å
157V88.1Confident90.4Very high54 Ų5445.7 Ų45.733%0.32724%0.244SC..THydrogen-bonded Turntrans-58-30.3-175.7-179.60000112.5L153 L159 I160 I194 N195L153-V157 PolarHBondContact O-N 2.94Å; V157-L159 PolarHBondContact O-N 2.87Å; V157-L159 VanDerWaalsContact O-N 3.15Å; V157-I160 HydrophobicContact CG1-CD1 3.86Å; V157-I160 VanDerWaalsContact O-CB 3.26Å; V157-I160 WeakPolarHBondContact O-CB 3.4Å; V157-I160 VanDerWaalsContact O-CG1 3.29Å; V157-I160 WeakPolarHBondContact O-CG1 3.45Å; V157-I160 PolarHBondContact O-N 3.14Å; V157-I194 HydrophobicContact CG2-CG2 4.15Å; V157-N195 HydrophobicContact CG1-CB 3.65Å; V157-N195 VanDerWaalsContact CG1-ND2 3.35Å; V157-N195 WeakPolarHBondContact CG1-ND2 3.47Å
158E86.4Confident90.5Very high151 Ų15142.6 Ų42.671%0.70623%0.226SC*.THydrogen-bonded Turntrans-59.5-27179.3-60.1-179.9170.900113.1H156 I160H156-E158 PolarHBondContact O-N 2.98Å; H156-E158 VanDerWaalsContact O-N 3.14Å; E158-I160 VanDerWaalsContact C-N 3.26Å; E158-I160 PolarHBondContact O-N 3.39Å
159L89.2Confident90.4Very high5 Ų542.3 Ų42.33%0.02622%0.224CC..Hα-helixtrans-72.4-16.8177.7-65.2177.1000113.6L108 P109 L152 L153 H156 V157 Q161 N162 V163L108-L159 HydrophobicContact CB-CD1 4.06Å; L108-L159 HydrophobicContact CB-CD2 3.95Å; L108-L159 HydrophobicContact CB-CG 4.47Å; L108-L159 HydrophobicContact CD2-CD1 4.39Å; P109-L159 HydrophobicContact CG-CD2 4.03Å; L152-L159 HydrophobicContact CD2-CD1 4.02Å; L152-L159 HydrophobicContact CG-CD1 3.94Å; L153-L159 HydrophobicContact CD2-CB 3.66Å; H156-L159 HydrophobicContact CB-CD1 3.83Å; H156-L159 HydrophobicContact CB-CG 4.09Å; H156-L159 WeakPolarHBondContact O-CB 3.46Å; H156-L159 PolarHBondContact O-N 3.23Å; H156-L159 VanDerWaalsContact O-N 3.1Å; V157-L159 PolarHBondContact O-N 2.87Å; V157-L159 VanDerWaalsContact O-N 3.15Å; L159-Q161 PolarHBondContact O-N 3.21Å; L159-N162 PolarHBondContact O-N 3.44Å; L159-V163 PolarHBondContact O-N 3.35Å
160I90.8Very high90.3Very high1 Ų143.7 Ų43.71%0.00523%0.232CC..Hα-helixtrans-56.9-41.8177.7-68.1175.4000110.3L153 V157 E158 N162 V163 L164 I191 I194 N195 D198L153-I160 HydrophobicContact CB-CG1 4.47Å; L153-I160 HydrophobicContact CD2-CG1 3.96Å; V157-I160 HydrophobicContact CG1-CD1 3.86Å; V157-I160 VanDerWaalsContact O-CB 3.26Å; V157-I160 WeakPolarHBondContact O-CB 3.4Å; V157-I160 VanDerWaalsContact O-CG1 3.29Å; V157-I160 WeakPolarHBondContact O-CG1 3.45Å; V157-I160 PolarHBondContact O-N 3.14Å; E158-I160 VanDerWaalsContact C-N 3.26Å; E158-I160 PolarHBondContact O-N 3.39Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.48Å; I160-V163 PolarHBondContact O-N 3.41Å; I160-L164 HydrophobicContact CG2-CD1 3.72Å; I160-L164 HydrophobicContact CG2-CG 4.19Å; I160-L164 WeakPolarHBondContact O-CB 3.46Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.25Å; I160-L164 PolarHBondContact O-N 2.88Å; I160-I191 HydrophobicContact CB-CG2 4.38Å; I160-I191 HydrophobicContact CD1-CG2 4.27Å; I160-I191 HydrophobicContact CG1-CG2 4.15Å; I160-I191 HydrophobicContact CG2-CG2 3.48Å; I160-I191 VanDerWaalsContact CG2-CG2 3.48Å; I160-I194 HydrophobicContact CD1-CB 4.42Å; I160-I194 HydrophobicContact CD1-CG2 4.09Å; I160-N195 HydrophobicContact CD1-CB 4.04Å; I160-D198 HydrophobicContact CG2-CB 3.97Å
161Q89.8Confident90.3Very high64 Ų6444.3 Ų44.330%0.29924%0.235SC..Hα-helixtrans-61.9-42177.4-179174.8-28.200111.8L159 Q165 I202L159-Q161 PolarHBondContact O-N 3.21Å; Q161-Q165 WeakPolarHBondContact O-CB 3.4Å; Q161-Q165 VanDerWaalsContact O-CG 3.25Å; Q161-Q165 WeakPolarHBondContact O-CG 3.47Å; Q161-Q165 PolarHBondContact O-N 3.07Å; Q161-Q165 VanDerWaalsContact O-N 3.16Å; Q161-I202 HydrophobicContact CG-CG2 4.18Å
162N89.8Confident90.3Very high65 Ų6538.6 Ų38.635%0.34821%0.214SC..Hα-helixtrans-66.7-44.6-180-65-13.3000111.1L159 I160 Q165 S166L159-N162 PolarHBondContact O-N 3.44Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.48Å; N162-Q165 PolarHBondContact O-N 3.26Å; N162-S166 PolarHBondContact O-N 2.92Å; N162-S166 VanDerWaalsContact O-N 3.14Å
163V91.9Very high90.2Very high1 Ų138.7 Ų38.71%0.00621%0.214CC..Hα-helixtrans-63.2-46.9178.41690000111.7A112 L116 L149 L153 L159 I160 Q165 S166 F169 I191A112-V163 HydrophobicContact CB-CG2 3.97Å; L116-V163 HydrophobicContact CD1-CB 4.44Å; L116-V163 HydrophobicContact CD1-CG1 4.18Å; L116-V163 HydrophobicContact CD1-CG2 4.3Å; L116-V163 HydrophobicContact CD2-CG1 4.24Å; L149-V163 HydrophobicContact CD1-CG2 4.19Å; L153-V163 HydrophobicContact CD1-CG2 4.36Å; L153-V163 HydrophobicContact CD2-CB 4.47Å; L153-V163 HydrophobicContact CD2-CG2 3.84Å; L159-V163 PolarHBondContact O-N 3.35Å; I160-V163 PolarHBondContact O-N 3.41Å; V163-Q165 PolarHBondContact O-N 3.23Å; V163-S166 WeakPolarHBondContact O-CB 3.48Å; V163-S166 PolarHBondContact O-N 3.3Å; V163-F169 HydrophobicContact CG1-CD2 4.09Å; V163-F169 HydrophobicContact CG1-CG 4.28Å; V163-F169 WeakPolarHBondContact O-CB 3.15Å; V163-I191 HydrophobicContact CG1-CD1 4.44Å
164L90.9Very high90.2Very high4 Ų442.5 Ų42.52%0.02123%0.232CC..Hα-helixtrans-68-22.3-179.8-68.5178.2000113.2I160 F169 L188 L199 I202 I210I160-L164 HydrophobicContact CG2-CD1 3.72Å; I160-L164 HydrophobicContact CG2-CG 4.19Å; I160-L164 WeakPolarHBondContact O-CB 3.46Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.25Å; I160-L164 PolarHBondContact O-N 2.88Å; L164-F169 HydrophobicContact CD2-CD1 4.41Å; L164-F169 HydrophobicContact CD2-CE1 3.81Å; L164-F169 HydrophobicContact CD2-CZ 4.2Å; L164-L188 HydrophobicContact CD2-CD1 3.65Å; L164-L199 HydrophobicContact CD1-CD1 4.21Å; L164-I202 HydrophobicContact CB-CD1 4.41Å; L164-I202 HydrophobicContact CB-CG2 3.85Å; L164-I202 HydrophobicContact CD1-CG2 4.41Å; L164-I210 HydrophobicContact CB-CD1 4.4Å; L164-I210 HydrophobicContact CD2-CD1 4.22Å
165Q91.5Very high90.1Very high81 Ų8140.5 Ų40.538%0.37921%0.211SC..Hα-helixtrans-87.9-14175-71.5-175.623.400113.8Q161 N162 V163 I202Q161-Q165 WeakPolarHBondContact O-CB 3.4Å; Q161-Q165 VanDerWaalsContact O-CG 3.25Å; Q161-Q165 WeakPolarHBondContact O-CG 3.47Å; Q161-Q165 PolarHBondContact O-N 3.07Å; Q161-Q165 VanDerWaalsContact O-N 3.16Å; N162-Q165 PolarHBondContact O-N 3.26Å; V163-Q165 PolarHBondContact O-N 3.23Å; Q165-I202 HydrophobicContact CG-CB 3.93Å; Q165-I202 HydrophobicContact CG-CG2 3.82Å
166S92.5Very high89.8Confident10 Ų1045.6 Ų45.67%0.0723%0.23CC..  trans-69.5133.4-176.8176.80000112.1E113 N162 V163 H168 F169 L170E113-S166 VanDerWaalsContact CD-OG 3.29Å; E113-S166 PolarHBondContact OE1-OG 3.37Å; E113-S166 VanDerWaalsContact OE2-CB 3.28Å; E113-S166 WeakPolarHBondContact OE2-CB 3.39Å; E113-S166 PolarHBondContact OE2-OG 2.94Å; N162-S166 PolarHBondContact O-N 2.92Å; N162-S166 VanDerWaalsContact O-N 3.14Å; V163-S166 WeakPolarHBondContact O-CB 3.48Å; V163-S166 PolarHBondContact O-N 3.3Å; S166-H168 PolarHBondContact O-N 3.03Å; S166-H168 PolarHBondContact OG-N 3.33Å; S166-F169 PolarHBondContact O-N 3Å; S166-L170 PolarHBondContact O-N 2.91Å
167D90.9Very high89.6Confident115 Ų11547 Ų4762%0.61524%0.238SC*.Hα-helixtrans-64.1-28.7173.4-72.3-26.5000111.3L170 H171D167-L170 PolarHBondContact O-N 2.99Å; D167-H171 PolarHBondContact O-CD2 3.13Å; D167-H171 VanDerWaalsContact O-CD2 3.25Å; D167-H171 PolarHBondContact O-N 3.24Å
168H92.8Very high89.5Confident39 Ų3947.6 Ų47.618%0.18124%0.242CC..Hα-helixtrans-67.4-38.9175.9-66-24000112E113 L116 F117 S166 H171 L172E113-H168 IonicContact OE1-CD2 3.44Å; E113-H168 PolarHBondContact OE1-CD2 2.86Å; E113-H168 IonicContact OE1-CG 2.64Å; E113-H168 IonicContact OE1-NE2 2.8Å; L116-H168 HydrophobicContact CB-CB 3.78Å; F117-H168 AromaticContact CD2-NE2 3.79Å; S166-H168 PolarHBondContact O-N 3.03Å; S166-H168 PolarHBondContact OG-N 3.33Å; H168-H171 PolarHBondContact O-N 3.47Å; H168-L172 WeakPolarHBondContact O-CG 3.49Å; H168-L172 PolarHBondContact O-N 3.4Å
169F93.2Very high89.5Confident1 Ų145 Ų450%0.00423%0.23CC..Hα-helixtrans-64.3-43.7174177.7-104.3000111.8L116 V163 L164 S166 H171 L172 L173 V184 M187 L188 I210L116-F169 HydrophobicContact CD1-CB 4.09Å; L116-F169 HydrophobicContact CD2-CB 3.97Å; L116-F169 HydrophobicContact CD2-CD2 4.07Å; V163-F169 HydrophobicContact CG1-CD2 4.09Å; V163-F169 HydrophobicContact CG1-CG 4.28Å; V163-F169 WeakPolarHBondContact O-CB 3.15Å; L164-F169 HydrophobicContact CD2-CD1 4.41Å; L164-F169 HydrophobicContact CD2-CE1 3.81Å; L164-F169 HydrophobicContact CD2-CZ 4.2Å; S166-F169 PolarHBondContact O-N 3Å; F169-H171 VanDerWaalsContact C-N 3.32Å; F169-H171 PolarHBondContact O-N 3.42Å; F169-L172 WeakPolarHBondContact O-CB 3.4Å; F169-L172 PolarHBondContact O-N 2.89Å; F169-L173 PolarHBondContact O-N 3.17Å; F169-V184 HydrophobicContact CE2-CG1 4.19Å; F169-M187 HydrophobicContact CD2-CE 3.87Å; F169-M187 HydrophobicContact CE2-CE 3.56Å; F169-L188 HydrophobicContact CE1-CD1 4.33Å; F169-L188 HydrophobicContact CZ-CB 4.17Å; F169-L188 HydrophobicContact CZ-CD1 3.97Å; F169-L188 HydrophobicContact CZ-CG 4.44Å; F169-I210 HydrophobicContact CE1-CD1 4.33Å
170L91.3Very high89.4Confident33 Ų3344.9 Ų44.917%0.17323%0.229CC..Hα-helixtrans-60.5-42176.1-177.963.2000111.6S166 D167 L172 L173 Q174S166-L170 PolarHBondContact O-N 2.91Å; D167-L170 PolarHBondContact O-N 2.99Å; L170-L172 PolarHBondContact O-N 2.87Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 3.2Å; L170-Q174 WeakPolarHBondContact O-CG 3.32Å; L170-Q174 PolarHBondContact O-N 3.36Å
171H90.3Very high89.2Confident80 Ų8044.9 Ų44.937%0.3723%0.229SC..Hα-helixtrans-63.1-39.5175.1-88.2-59.4000113.5D167 H168 F169 L173 Q174D167-H171 PolarHBondContact O-CD2 3.13Å; D167-H171 VanDerWaalsContact O-CD2 3.25Å; D167-H171 PolarHBondContact O-N 3.24Å; H168-H171 PolarHBondContact O-N 3.47Å; F169-H171 VanDerWaalsContact C-N 3.32Å; F169-H171 PolarHBondContact O-N 3.42Å; H171-L173 VanDerWaalsContact C-N 3.31Å; H171-Q174 PolarHBondContact O-N 3.04Å
172L91.9Very high89.1Confident3 Ų343.1 Ų43.12%0.01622%0.224CC..Hα-helixtrans-62.5-41.5173.2-77.9172.2000111.2L116 R120 Q123 F142 H168 F169 L170 Q174 A175 V184L116-L172 HydrophobicContact CD2-CD1 3.98Å; R120-L172 HydrophobicContact CB-CD2 4.48Å; Q123-L172 HydrophobicContact CB-CD2 4.24Å; F142-L172 HydrophobicContact CE2-CD2 3.84Å; F142-L172 HydrophobicContact CZ-CD2 4.22Å; H168-L172 WeakPolarHBondContact O-CG 3.49Å; H168-L172 PolarHBondContact O-N 3.4Å; F169-L172 WeakPolarHBondContact O-CB 3.4Å; F169-L172 PolarHBondContact O-N 2.89Å; L170-L172 PolarHBondContact O-N 2.87Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.49Å; L172-A175 WeakPolarHBondContact O-CB 3.44Å; L172-A175 PolarHBondContact O-N 3.32Å; L172-V184 HydrophobicContact CB-CG1 4.19Å; L172-V184 HydrophobicContact CB-CG2 4.08Å
173L90.5Very high89.1Confident1 Ų141.3 Ų41.31%0.00522%0.218CC..Hα-helixtrans-64.7-37.6176.8-170.865.3000111F169 L170 H171 A175 V184 M185 L188 I210 E213 V214 K217F169-L173 PolarHBondContact O-N 3.17Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 3.2Å; H171-L173 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 3.08Å; L173-V184 HydrophobicContact CB-CG1 4.26Å; L173-V184 HydrophobicContact CD1-CG1 4.09Å; L173-M185 HydrophobicContact CD1-CG 4.01Å; L173-L188 HydrophobicContact CD1-CD2 4.4Å; L173-L188 HydrophobicContact CD2-CD2 4.47Å; L173-I210 HydrophobicContact CD2-CG2 4.19Å; L173-E213 HydrophobicContact CB-CG 4.4Å; L173-E213 HydrophobicContact CD2-CB 4Å; L173-E213 HydrophobicContact CD2-CG 3.93Å; L173-E213 HydrophobicContact CG-CB 4.36Å; L173-E213 HydrophobicContact CG-CG 3.72Å; L173-V214 HydrophobicContact CD2-CG2 4.46Å; L173-K217 WeakPolarHBondContact O-CE 3.43Å; L173-K217 PolarHBondContact O-NZ 3.45Å
174Q89.4Confident89Confident80 Ų8041.3 Ų41.337%0.37422%0.218SC..THydrogen-bonded Turntrans-67.46.9176.7-72.8171.4-1100115.1L170 H171 L172 D176 E213L170-Q174 WeakPolarHBondContact O-CG 3.32Å; L170-Q174 PolarHBondContact O-N 3.36Å; H171-Q174 PolarHBondContact O-N 3.04Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.49Å; Q174-D176 PolarHBondContact O-N 3.34Å; Q174-E213 HydrophobicContact CG-CG 4.14Å
175A85.1Confident89Confident5 Ų541.1 Ų41.14%0.04122%0.217CC..  trans-58.5126.7175.900000112.5L172 L173 I180 K217L172-A175 WeakPolarHBondContact O-CB 3.44Å; L172-A175 PolarHBondContact O-N 3.32Å; L173-A175 PolarHBondContact O-N 3.08Å; A175-I180 HydrophobicContact CB-CB 4.46Å; A175-I180 HydrophobicContact CB-CG2 4.03Å; A175-K217 PolarHBondContact O-NZ 2.74Å
176D80.3Confident88.9Confident142 Ų14241 Ų4176%0.75922%0.217SC*.  trans-79.4-20.8170.7-69.5-37000112.7Q174 V178Q174-D176 PolarHBondContact O-N 3.34Å; D176-V178 PolarHBondContact O-N 2.91Å
177N86.3Confident88.8Confident53 Ų5340.9 Ų40.928%0.28322%0.216SC..SBendtrans-69.8133.2-179.3-177-85000111.4F126 Q179 I180 G181F126-N177 WeakPolarHBondContact CE1-ND2 3.27Å; N177-Q179 PolarHBondContact O-N 2.93Å; N177-Q179 WeakPolarHBondContact OD1-CB 3.43Å; N177-Q179 PolarHBondContact OD1-N 3.37Å; N177-I180 HydrophobicContact CB-CB 4.47Å; N177-I180 PolarHBondContact OD1-N 3.28Å; N177-G181 WeakPolarHBondContact O-CA 3.24Å; N177-G181 PolarHBondContact O-N 2.9Å
178V85.3Confident88.8Confident66 Ų6635.4 Ų35.440%0.419%0.186SC..Hα-helixtrans-62.8-41.6-175-177.70000112.9D176 S182 I226D176-V178 PolarHBondContact O-N 2.91Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.5Å; V178-I226 HydrophobicContact CB-CD1 4.25Å; V178-I226 HydrophobicContact CG1-CD1 4.05Å; V178-I226 HydrophobicContact CG1-CG1 4.36Å; V178-I226 HydrophobicContact CG2-CD1 4.31Å
179Q86.3Confident88.7Confident97 Ų9734.8 Ų34.845%0.45318%0.184SC..Hα-helixtrans-74.7-49.6-174.2-62.4174.8-3700111.4L139 N177 S182 A183L139-Q179 HydrophobicContact CD1-CB 3.53Å; L139-Q179 HydrophobicContact CD1-CG 4.26Å; N177-Q179 PolarHBondContact O-N 2.93Å; N177-Q179 WeakPolarHBondContact OD1-CB 3.43Å; N177-Q179 PolarHBondContact OD1-N 3.37Å; Q179-S182 PolarHBondContact O-N 3.21Å; Q179-A183 PolarHBondContact O-N 3.47Å
180I86.9Confident88.5Confident2 Ų237 Ų371%0.0120%0.196CC..Hα-helixtrans-65.1-46.5177-63.3179.9000110.4Q123 F126 F142 A175 N177 S182 A183 V184Q123-I180 HydrophobicContact CB-CD1 4.23Å; Q123-I180 HydrophobicContact CG-CD1 4.11Å; Q123-I180 HydrophobicContact CG-CG2 4.27Å; F126-I180 HydrophobicContact CB-CD1 3.83Å; F126-I180 HydrophobicContact CD1-CD1 3.52Å; F126-I180 HydrophobicContact CD1-CG1 4.31Å; F126-I180 HydrophobicContact CD2-CD1 4.35Å; F126-I180 HydrophobicContact CE1-CD1 4.19Å; F126-I180 HydrophobicContact CG-CD1 3.63Å; F142-I180 HydrophobicContact CE1-CG2 4.12Å; F142-I180 HydrophobicContact CE2-CG2 4.18Å; F142-I180 HydrophobicContact CZ-CG2 3.79Å; A175-I180 HydrophobicContact CB-CB 4.46Å; A175-I180 HydrophobicContact CB-CG2 4.03Å; N177-I180 HydrophobicContact CB-CB 4.47Å; N177-I180 PolarHBondContact OD1-N 3.28Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 2.99Å; I180-A183 PolarHBondContact O-N 3.3Å; I180-A183 VanDerWaalsContact O-N 3.13Å; I180-V184 HydrophobicContact CG2-CG2 4.25Å; I180-V184 WeakPolarHBondContact O-CG2 3.48Å; I180-V184 PolarHBondContact O-N 3.37Å
181G87.3Confident88.4Confident0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-60.2-39.4178.500000112.4N177 M185N177-G181 WeakPolarHBondContact O-CA 3.24Å; N177-G181 PolarHBondContact O-N 2.9Å; G181-M185 WeakPolarHBondContact O-CB 3.38Å; G181-M185 WeakPolarHBondContact O-CG 3.47Å; G181-M185 PolarHBondContact O-N 2.71Å
182S87.6Confident88.2Confident28 Ų2832 Ų3220%0.19617%0.171CC..Hα-helixtrans-64.3-43.7173.7-170.30000112V178 Q179 I180 M185 M186V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.5Å; Q179-S182 PolarHBondContact O-N 3.21Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 2.99Å; S182-M185 PolarHBondContact O-N 3.28Å; S182-M186 WeakPolarHBondContact O-CB 3.25Å; S182-M186 VanDerWaalsContact O-CG 3.25Å; S182-M186 WeakPolarHBondContact O-CG 3.43Å; S182-M186 PolarHBondContact O-N 3.42Å
183A88.4Confident88Confident27 Ų2737.6 Ų37.622%0.22320%0.198CC..Hα-helixtrans-63-44.1178.600000112.1F142 Q179 I180 M186 M187F142-A183 HydrophobicContact CD1-CB 4.44Å; F142-A183 HydrophobicContact CE1-CB 3.91Å; Q179-A183 PolarHBondContact O-N 3.47Å; I180-A183 PolarHBondContact O-N 3.3Å; I180-A183 VanDerWaalsContact O-N 3.13Å; A183-M186 PolarHBondContact O-N 2.95Å; A183-M187 WeakPolarHBondContact O-CB 3.43Å; A183-M187 PolarHBondContact O-N 3.31Å
184V91.3Very high87.7Confident0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-67.6-40.1178.5179.20000111.8F142 F169 L172 L173 I180 M187 L188F142-V184 HydrophobicContact CE1-CG2 4.24Å; F142-V184 HydrophobicContact CZ-CG2 3.7Å; F169-V184 HydrophobicContact CE2-CG1 4.19Å; L172-V184 HydrophobicContact CB-CG1 4.19Å; L172-V184 HydrophobicContact CB-CG2 4.08Å; L173-V184 HydrophobicContact CB-CG1 4.26Å; L173-V184 HydrophobicContact CD1-CG1 4.09Å; I180-V184 HydrophobicContact CG2-CG2 4.25Å; I180-V184 WeakPolarHBondContact O-CG2 3.48Å; I180-V184 PolarHBondContact O-N 3.37Å; V184-M187 WeakPolarHBondContact O-CB 3.2Å; V184-M187 PolarHBondContact O-N 3.14Å; V184-L188 PolarHBondContact O-N 3.44Å
185M90.7Very high87.3Confident0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-66.6-38.1174.9-76-169.4-58.900112.7L173 G181 S182 M187 L188 Q189 K217 I226 T229 A230 L233L173-M185 HydrophobicContact CD1-CG 4.01Å; G181-M185 WeakPolarHBondContact O-CB 3.38Å; G181-M185 WeakPolarHBondContact O-CG 3.47Å; G181-M185 PolarHBondContact O-N 2.71Å; S182-M185 PolarHBondContact O-N 3.28Å; M185-M187 VanDerWaalsContact C-N 3.33Å; M185-L188 PolarHBondContact O-N 2.97Å; M185-Q189 WeakPolarHBondContact O-CB 3.28Å; M185-Q189 PolarHBondContact O-N 3.06Å; M185-K217 HydrophobicContact CE-CD 4.47Å; M185-K217 HydrophobicContact CG-CD 4.46Å; M185-K217 HydrophobicContact SD-CD 3.76Å; M185-I226 HydrophobicContact CE-CB 3.88Å; M185-I226 HydrophobicContact CE-CG1 3.73Å; M185-I226 HydrophobicContact CE-CG2 3.65Å; M185-I226 HydrophobicContact SD-CG2 4.26Å; M185-T229 HydrophobicContact CB-CG2 3.78Å; M185-T229 HydrophobicContact CE-CG2 4.32Å; M185-A230 HydrophobicContact SD-CB 4.41Å; M185-L233 HydrophobicContact CB-CD1 3.94Å; M185-L233 HydrophobicContact CG-CD1 4.13Å; M185-L233 HydrophobicContact SD-CD1 4.44Å
186M89.8Confident86.9Confident78 Ų7840.7 Ų40.738%0.38422%0.218SC..Hα-helixtrans-63.5-40.8172.6-76-61.8-55.500111.3S182 A183 Q189 N190 T229S182-M186 WeakPolarHBondContact O-CB 3.25Å; S182-M186 VanDerWaalsContact O-CG 3.25Å; S182-M186 WeakPolarHBondContact O-CG 3.43Å; S182-M186 PolarHBondContact O-N 3.42Å; A183-M186 PolarHBondContact O-N 2.95Å; M186-Q189 WeakPolarHBondContact O-CB 3.1Å; M186-Q189 PolarHBondContact O-N 3.16Å; M186-N190 PolarHBondContact O-N 3.2Å; M186-N190 PolarHBondContact O-ND2 3.23Å; M186-N190 PolarHBondContact O-OD1 3.38Å; M186-T229 HydrophobicContact SD-CG2 4.24Å
187M89.5Confident86.6Confident8 Ų835 Ų354%0.03919%0.193CC..Hα-helixtrans-60.2-46.7173.5-173.1177.274.600111.2T146 L149 F169 A183 V184 M185 Q189 N190 I191T146-M187 HydrophobicContact CG2-SD 4.09Å; L149-M187 HydrophobicContact CD2-CE 4.23Å; L149-M187 HydrophobicContact CD2-SD 4.02Å; F169-M187 HydrophobicContact CD2-CE 3.87Å; F169-M187 HydrophobicContact CE2-CE 3.56Å; A183-M187 WeakPolarHBondContact O-CB 3.43Å; A183-M187 PolarHBondContact O-N 3.31Å; V184-M187 WeakPolarHBondContact O-CB 3.2Å; V184-M187 PolarHBondContact O-N 3.14Å; M185-M187 VanDerWaalsContact C-N 3.33Å; M187-Q189 VanDerWaalsContact C-N 3.31Å; M187-Q189 PolarHBondContact O-N 2.8Å; M187-N190 PolarHBondContact O-N 3.18Å; M187-I191 HydrophobicContact CG-CD1 4.06Å; M187-I191 VanDerWaalsContact O-CG1 3.24Å; M187-I191 WeakPolarHBondContact O-CG1 3.36Å; M187-I191 PolarHBondContact O-N 3.34Å
188L91.7Very high86.1Confident0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-59-42.4174.4179.657.4000111.7L164 F169 L173 V184 M185 N190 I191 L192 I210 V214 L233 M237L164-L188 HydrophobicContact CD2-CD1 3.65Å; F169-L188 HydrophobicContact CE1-CD1 4.33Å; F169-L188 HydrophobicContact CZ-CB 4.17Å; F169-L188 HydrophobicContact CZ-CD1 3.97Å; F169-L188 HydrophobicContact CZ-CG 4.44Å; L173-L188 HydrophobicContact CD1-CD2 4.4Å; L173-L188 HydrophobicContact CD2-CD2 4.47Å; V184-L188 PolarHBondContact O-N 3.44Å; M185-L188 PolarHBondContact O-N 2.97Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 3.31Å; L188-I191 PolarHBondContact O-N 2.98Å; L188-L192 HydrophobicContact CD1-CD1 4.18Å; L188-L192 HydrophobicContact CD1-CG 4.22Å; L188-L192 HydrophobicContact CG-CD1 4.16Å; L188-L192 VanDerWaalsContact O-CG 3.27Å; L188-L192 WeakPolarHBondContact O-CG 3.45Å; L188-L192 PolarHBondContact O-N 3.08Å; L188-I210 HydrophobicContact CD2-CG2 3.98Å; L188-V214 HydrophobicContact CD2-CG2 4.26Å; L188-L233 HydrophobicContact CB-CD2 4.37Å; L188-L233 HydrophobicContact CD2-CD1 4.24Å; L188-L233 HydrophobicContact CD2-CD2 4.32Å; L188-L233 HydrophobicContact CG-CD2 4Å; L188-M237 HydrophobicContact CD2-CE 4.05Å; L188-M237 HydrophobicContact CG-CE 4.46Å
189Q89.9Confident85.7Confident27 Ų2729.6 Ų29.613%0.12616%0.162CC..Hα-helixtrans-61.4-45.7178.3-174.6177.9-8.100111M185 M186 M187 L192 Q193 L233M185-Q189 WeakPolarHBondContact O-CB 3.28Å; M185-Q189 PolarHBondContact O-N 3.06Å; M186-Q189 WeakPolarHBondContact O-CB 3.1Å; M186-Q189 PolarHBondContact O-N 3.16Å; M187-Q189 VanDerWaalsContact C-N 3.31Å; M187-Q189 PolarHBondContact O-N 2.8Å; Q189-L192 PolarHBondContact O-N 3Å; Q189-Q193 WeakPolarHBondContact O-CG 3.41Å; Q189-Q193 PolarHBondContact O-N 3.29Å; Q189-L233 VanDerWaalsContact CA-CD2 3.44Å; Q189-L233 HydrophobicContact CB-CD2 3.61Å; Q189-L233 HydrophobicContact CB-CG 4.32Å; Q189-L233 HydrophobicContact CG-CD2 4.21Å
190N88.6Confident85.3Confident48 Ų4828 Ų2826%0.25716%0.156SC..Hα-helixtrans-66.9-38.7179.3-62.9-17.9000111.6F150 M186 M187 L188 L192 Q193 I194F150-N190 HydrophobicContact CD2-CB 4.07Å; F150-N190 HydrophobicContact CE2-CB 3.29Å; F150-N190 HydrophobicContact CZ-CB 3.66Å; M186-N190 PolarHBondContact O-N 3.2Å; M186-N190 PolarHBondContact O-ND2 3.23Å; M186-N190 PolarHBondContact O-OD1 3.38Å; M187-N190 PolarHBondContact O-N 3.18Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 3.31Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 2.95Å; N190-Q193 PolarHBondContact O-N 3.1Å; N190-I194 WeakPolarHBondContact O-CG1 3.48Å; N190-I194 PolarHBondContact O-N 2.76Å; N190-I194 VanDerWaalsContact O-N 3.08Å
191I89Confident85.1Confident1 Ų135.9 Ų35.91%0.00519%0.186CC..Hα-helixtrans-57.8-46.8174.4-72.7168.1000110.7L153 I160 V163 M187 L188 Q193 I194 N195L153-I191 HydrophobicContact CD1-CD1 3.76Å; L153-I191 HydrophobicContact CD1-CG1 3.9Å; I160-I191 HydrophobicContact CB-CG2 4.38Å; I160-I191 HydrophobicContact CD1-CG2 4.27Å; I160-I191 HydrophobicContact CG1-CG2 4.15Å; I160-I191 HydrophobicContact CG2-CG2 3.48Å; I160-I191 VanDerWaalsContact CG2-CG2 3.48Å; V163-I191 HydrophobicContact CG1-CD1 4.44Å; M187-I191 HydrophobicContact CG-CD1 4.06Å; M187-I191 VanDerWaalsContact O-CG1 3.24Å; M187-I191 WeakPolarHBondContact O-CG1 3.36Å; M187-I191 PolarHBondContact O-N 3.34Å; L188-I191 PolarHBondContact O-N 2.98Å; I191-Q193 VanDerWaalsContact C-N 3.28Å; I191-Q193 PolarHBondContact O-N 3.26Å; I191-I194 PolarHBondContact O-N 3.02Å; I191-N195 PolarHBondContact O-N 3.28Å
192L87.1Confident84.9Confident5 Ų536.3 Ų36.33%0.02619%0.188CC..Hα-helixtrans-69.2-26.3179.9-63.6169.7000113.1L188 Q189 N190 N195 S196 L199 L233 L236 M237L188-L192 HydrophobicContact CD1-CD1 4.18Å; L188-L192 HydrophobicContact CD1-CG 4.22Å; L188-L192 HydrophobicContact CG-CD1 4.16Å; L188-L192 VanDerWaalsContact O-CG 3.27Å; L188-L192 WeakPolarHBondContact O-CG 3.45Å; L188-L192 PolarHBondContact O-N 3.08Å; Q189-L192 PolarHBondContact O-N 3Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 2.95Å; L192-N195 CarbonylContact O-C 3.22Å; L192-S196 WeakPolarHBondContact O-CA 3.43Å; L192-S196 WeakPolarHBondContact O-CB 3.26Å; L192-S196 PolarHBondContact O-N 3.49Å; L192-S196 VanDerWaalsContact O-N 3.11Å; L192-L199 HydrophobicContact CD2-CB 4.06Å; L192-L199 HydrophobicContact CD2-CD1 4.18Å; L192-L199 HydrophobicContact CD2-CD2 3.79Å; L192-L199 HydrophobicContact CD2-CG 4.23Å; L192-L233 HydrophobicContact CD1-CD2 3.93Å; L192-L236 HydrophobicContact CB-CD2 3.33Å; L192-L236 HydrophobicContact CD1-CD2 3.96Å; L192-L236 HydrophobicContact CG-CD2 4.26Å; L192-M237 HydrophobicContact CD1-CE 3.5Å; L192-M237 HydrophobicContact CD1-CG 3.81Å
193Q86.7Confident84.6Confident121 Ų12136.8 Ų36.857%0.56520%0.198SC*.Hα-helixtrans-72.6-32.6172.3-74.7178.8-3.200112.7Q189 N190 I191 L236Q189-Q193 WeakPolarHBondContact O-CG 3.41Å; Q189-Q193 PolarHBondContact O-N 3.29Å; N190-Q193 PolarHBondContact O-N 3.1Å; I191-Q193 VanDerWaalsContact C-N 3.28Å; I191-Q193 PolarHBondContact O-N 3.26Å; Q193-L236 HydrophobicContact CG-CD1 3.79Å
194I83.9Confident84.4Confident65 Ų6545.2 Ų45.233%0.33322%0.224SC..Hα-helixtrans-68.6-51.8176-67.9168.1000110.3F150 V157 I160 N190 I191F150-I194 HydrophobicContact CD2-CD1 4.28Å; F150-I194 HydrophobicContact CE2-CD1 3.37Å; F150-I194 HydrophobicContact CE2-CG1 4.39Å; F150-I194 HydrophobicContact CZ-CD1 3.64Å; F150-I194 HydrophobicContact CZ-CG1 4.45Å; V157-I194 HydrophobicContact CG2-CG2 4.15Å; I160-I194 HydrophobicContact CD1-CB 4.42Å; I160-I194 HydrophobicContact CD1-CG2 4.09Å; N190-I194 WeakPolarHBondContact O-CG1 3.48Å; N190-I194 PolarHBondContact O-N 2.76Å; N190-I194 VanDerWaalsContact O-N 3.08Å; I191-I194 PolarHBondContact O-N 3.02Å
195N81.1Confident84.2Confident50 Ų5053.4 Ų53.427%0.26726%0.259SS..  trans-149.697.4177-170.95.6000110.9V157 I160 I191 L192 G197 D198V157-N195 HydrophobicContact CG1-CB 3.65Å; V157-N195 VanDerWaalsContact CG1-ND2 3.35Å; V157-N195 WeakPolarHBondContact CG1-ND2 3.47Å; I160-N195 HydrophobicContact CD1-CB 4.04Å; I191-N195 PolarHBondContact O-N 3.28Å; L192-N195 CarbonylContact O-C 3.22Å; N195-G197 PolarHBondContact O-N 3.5Å; N195-G197 PolarHBondContact OD1-N 3.11Å; N195-G197 VanDerWaalsContact OD1-N 3.11Å; N195-D198 PolarHBondContact ND2-OD1 2.96Å; N195-D198 PolarHBondContact ND2-OD2 3.44Å
196S76.6Confident84Confident36 Ų3654.4 Ų54.425%0.25227%0.268SS..G310 helixtrans-67-25.1177.263.40000112.2L192 D198 L199 S240 H241L192-S196 WeakPolarHBondContact O-CA 3.43Å; L192-S196 WeakPolarHBondContact O-CB 3.26Å; L192-S196 PolarHBondContact O-N 3.49Å; L192-S196 VanDerWaalsContact O-N 3.11Å; S196-D198 VanDerWaalsContact C-N 3.32Å; S196-D198 PolarHBondContact O-N 3.5Å; S196-L199 PolarHBondContact O-N 3.43Å; S196-S240 WeakPolarHBondContact CB-OG 3.24Å; S196-H241 PolarHBondContact O-CD2 2.64Å; S196-H241 PolarHBondContact O-NE2 2.9Å
197G73.9Confident84Confident23 Ų2351.1 Ų51.124%0.23725%0.252CS..G310 helixtrans-62.9-29.4-173.800000115.4N195 L199 L200N195-G197 PolarHBondContact O-N 3.5Å; N195-G197 PolarHBondContact OD1-N 3.11Å; N195-G197 VanDerWaalsContact OD1-N 3.11Å; G197-L199 PolarHBondContact O-N 3.41Å; G197-L200 PolarHBondContact O-N 3.39Å
198D76.4Confident84Confident5 Ų553.8 Ų53.83%0.02726%0.262CS..G310 helixtrans-73.7-16.7-175.3-66.1-31.1000112.8I160 N195 S196 L200 R201 I202I160-D198 HydrophobicContact CG2-CB 3.97Å; N195-D198 PolarHBondContact ND2-OD1 2.96Å; N195-D198 PolarHBondContact ND2-OD2 3.44Å; S196-D198 VanDerWaalsContact C-N 3.32Å; S196-D198 PolarHBondContact O-N 3.5Å; D198-L200 PolarHBondContact O-N 3.32Å; D198-R201 PolarHBondContact O-N 2.72Å; D198-R201 WeakPolarHBondContact OD1-CD 3.4Å; D198-R201 IonicContact OD1-CZ 2.7Å; D198-R201 IonicContact OD1-NE 3.21Å; D198-R201 IonicContact OD1-NH1 2.86Å; D198-R201 PolarHBondContact OD1-NH1 2.75Å; D198-I202 PolarHBondContact O-N 3.11Å
199L77.3Confident83.9Confident1 Ų155.3 Ų55.31%0.00527%0.273CS..G310 helixtrans-65.9-22.3176.6-168.365.9000113.3L164 L192 S196 G197 I202 L207 M237 I244L164-L199 HydrophobicContact CD1-CD1 4.21Å; L192-L199 HydrophobicContact CD2-CB 4.06Å; L192-L199 HydrophobicContact CD2-CD1 4.18Å; L192-L199 HydrophobicContact CD2-CD2 3.79Å; L192-L199 HydrophobicContact CD2-CG 4.23Å; S196-L199 PolarHBondContact O-N 3.43Å; G197-L199 PolarHBondContact O-N 3.41Å; L199-I202 HydrophobicContact CD1-CD1 3.86Å; L199-I202 WeakPolarHBondContact O-CG1 3.46Å; L199-L207 HydrophobicContact CD1-CD1 3.88Å; L199-L207 HydrophobicContact CD2-CD1 4.31Å; L199-L207 HydrophobicContact CG-CD1 3.77Å; L199-M237 HydrophobicContact CD2-CB 4.23Å; L199-M237 HydrophobicContact CD2-CE 4.23Å; L199-M237 HydrophobicContact CD2-CG 3.63Å; L199-M237 HydrophobicContact CD2-SD 4Å; L199-I244 HydrophobicContact CD2-CD1 3.4Å; L199-I244 VanDerWaalsContact CD2-CD1 3.4Å; L199-I244 HydrophobicContact CG-CD1 4Å
200L77.8Confident84Confident63 Ų6354.2 Ų54.233%0.3327%0.267SS..G310 helixtrans-89.9-17.4171.9-71.9-180000113.3G197 D198 H241 E243 I244G197-L200 PolarHBondContact O-N 3.39Å; D198-L200 PolarHBondContact O-N 3.32Å; L200-H241 HydrophobicContact CD1-CB 3.94Å; L200-H241 HydrophobicContact CG-CB 4.33Å; L200-E243 HydrophobicContact CD1-CB 4.26Å; L200-E243 HydrophobicContact CD1-CG 4.34Å; L200-E243 HydrophobicContact CD2-CB 3.93Å; L200-I244 HydrophobicContact CD2-CD1 4.42Å; L200-I244 HydrophobicContact CD2-CG1 3.95Å
201R82.6Confident84.1Confident168 Ų16852 Ų5263%0.63426%0.255SS*.THydrogen-bonded Turntrans-80.8-21.1178.2-65.5-179.3172.9179-8112.2D198D198-R201 PolarHBondContact O-N 2.72Å; D198-R201 WeakPolarHBondContact OD1-CD 3.4Å; D198-R201 IonicContact OD1-CZ 2.7Å; D198-R201 IonicContact OD1-NE 3.21Å; D198-R201 IonicContact OD1-NH1 2.86Å; D198-R201 PolarHBondContact OD1-NH1 2.75Å
202I84.1Confident84.1Confident8 Ų855.6 Ų55.64%0.04128%0.275CS..SBendtrans-68.5151.5175.462.6166.6000112.4Q161 L164 Q165 D198 L199 R204 A206 L207 I210Q161-I202 HydrophobicContact CG-CG2 4.18Å; L164-I202 HydrophobicContact CB-CD1 4.41Å; L164-I202 HydrophobicContact CB-CG2 3.85Å; L164-I202 HydrophobicContact CD1-CG2 4.41Å; Q165-I202 HydrophobicContact CG-CB 3.93Å; Q165-I202 HydrophobicContact CG-CG2 3.82Å; D198-I202 PolarHBondContact O-N 3.11Å; L199-I202 HydrophobicContact CD1-CD1 3.86Å; L199-I202 WeakPolarHBondContact O-CG1 3.46Å; I202-R204 PolarHBondContact O-N 2.87Å; I202-A206 HydrophobicContact CD1-CB 4.25Å; I202-L207 HydrophobicContact CD1-CB 3.95Å; I202-L207 HydrophobicContact CD1-CD1 4.33Å; I202-L207 HydrophobicContact CG1-CB 4.17Å; I202-I210 HydrophobicContact CD1-CD1 4.04Å
203G81.4Confident84.4Confident39 Ų3956.4 Ų56.440%0.40228%0.279SS..  trans-56.9139.4177.200000111.8K205 A206 L207G203-K205 PolarHBondContact O-N 2.75Å; G203-A206 PolarHBondContact O-N 3.3Å; G203-L207 PolarHBondContact O-N 3.26Å; G203-L207 VanDerWaalsContact O-N 3.14Å
204R83.6Confident84.6Confident203 Ų20350.7 Ų50.777%0.76625%0.252SS*.Hα-helixtrans-48.7-40-178.2-76.8-171.1-75-142.7-2.6113.2I202 A206 L207 Y208I202-R204 PolarHBondContact O-N 2.87Å; R204-A206 PolarHBondContact O-N 3.4Å; R204-L207 PolarHBondContact O-N 3.03Å; R204-Y208 HydrophobicContact CB-CD2 4.39Å; R204-Y208 HydrophobicContact CB-CE2 4.34Å; R204-Y208 WeakPolarHBondContact O-CD2 3.33Å; R204-Y208 PolarHBondContact O-N 3.2Å
205K86.7Confident84.8Confident172 Ų17248.5 Ų48.575%0.74824%0.241SC*.Hα-helixtrans-60-45.2178.4-173.2-172174.9-162.80112.2G203 S209G203-K205 PolarHBondContact O-N 2.75Å; K205-S209 WeakPolarHBondContact O-CB 3.28Å; K205-S209 PolarHBondContact O-N 2.91Å; K205-S209 PolarHBondContact O-OG 3.41Å
206A87.1Confident85.2Confident22 Ų2251 Ų5118%0.18225%0.249CC..Hα-helixtrans-66.5-43.3178.900000110.8I202 G203 R204 Y208 S209 I210I202-A206 HydrophobicContact CD1-CB 4.25Å; G203-A206 PolarHBondContact O-N 3.3Å; R204-A206 PolarHBondContact O-N 3.4Å; A206-Y208 PolarHBondContact O-N 3.31Å; A206-S209 PolarHBondContact O-N 2.93Å; A206-I210 WeakPolarHBondContact O-CG1 3.41Å; A206-I210 PolarHBondContact O-N 3.3Å
207L89.3Confident85.7Confident8 Ų849.4 Ų49.44%0.04224%0.238CC..Hα-helixtrans-57.8-50.3175.7179.762.5000112.4L199 I202 G203 R204 S209 I210 L211 L247L199-L207 HydrophobicContact CD1-CD1 3.88Å; L199-L207 HydrophobicContact CD2-CD1 4.31Å; L199-L207 HydrophobicContact CG-CD1 3.77Å; I202-L207 HydrophobicContact CD1-CB 3.95Å; I202-L207 HydrophobicContact CD1-CD1 4.33Å; I202-L207 HydrophobicContact CG1-CB 4.17Å; G203-L207 PolarHBondContact O-N 3.26Å; G203-L207 VanDerWaalsContact O-N 3.14Å; R204-L207 PolarHBondContact O-N 3.03Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 3.26Å; L207-I210 PolarHBondContact O-N 3.25Å; L207-L211 HydrophobicContact CD1-CD1 4.08Å; L207-L211 HydrophobicContact CD1-CG 4.29Å; L207-L211 HydrophobicContact CG-CD1 4Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 WeakPolarHBondContact O-CG 3.34Å; L207-L211 PolarHBondContact O-N 2.99Å; L207-L247 HydrophobicContact CD2-CD1 4.15Å
208Y88.6Confident86.4Confident65 Ų6548.3 Ų48.326%0.25523%0.226SC..Hα-helixtrans-61.1-41.7176.3-78.7-68.5000111.5R204 A206 I210 L211 D212 L247 Y254R204-Y208 HydrophobicContact CB-CD2 4.39Å; R204-Y208 HydrophobicContact CB-CE2 4.34Å; R204-Y208 WeakPolarHBondContact O-CD2 3.33Å; R204-Y208 PolarHBondContact O-N 3.2Å; A206-Y208 PolarHBondContact O-N 3.31Å; Y208-I210 PolarHBondContact O-N 3.02Å; Y208-L211 PolarHBondContact O-N 3.42Å; Y208-D212 WeakPolarHBondContact O-CB 2.72Å; Y208-D212 PolarHBondContact O-N 3.33Å; Y208-L247 WeakPolarHBondContact OH-CD2 3.46Å; Y208-Y254 HydrophobicContact CD1-CE2 4.2Å; Y208-Y254 WeakPolarHBondContact CD1-OH 3.27Å; Y208-Y254 HydrophobicContact CE1-CE2 4.08Å
209S91.4Very high86.7Confident32 Ų3250.7 Ų50.722%0.22424%0.237CC..Hα-helixtrans-63.5-40.7-179.8-52.60000112.3K205 A206 L207 E213K205-S209 WeakPolarHBondContact O-CB 3.28Å; K205-S209 PolarHBondContact O-N 2.91Å; K205-S209 PolarHBondContact O-OG 3.41Å; A206-S209 PolarHBondContact O-N 2.93Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 3.26Å; S209-E213 WeakPolarHBondContact O-CB 3.32Å; S209-E213 PolarHBondContact O-N 3.19Å; S209-E213 VanDerWaalsContact O-N 3.07Å
210I91Very high87Confident3 Ų353.8 Ų53.82%0.01526%0.259CS..Hα-helixtrans-66.8-47.7175.4-67166.2000110.4L164 F169 L173 L188 I202 A206 L207 Y208 D212 E213 V214 M237L164-I210 HydrophobicContact CB-CD1 4.4Å; L164-I210 HydrophobicContact CD2-CD1 4.22Å; F169-I210 HydrophobicContact CE1-CD1 4.33Å; L173-I210 HydrophobicContact CD2-CG2 4.19Å; L188-I210 HydrophobicContact CD2-CG2 3.98Å; I202-I210 HydrophobicContact CD1-CD1 4.04Å; A206-I210 WeakPolarHBondContact O-CG1 3.41Å; A206-I210 PolarHBondContact O-N 3.3Å; L207-I210 PolarHBondContact O-N 3.25Å; Y208-I210 PolarHBondContact O-N 3.02Å; I210-D212 PolarHBondContact O-N 3.43Å; I210-E213 PolarHBondContact O-N 3.25Å; I210-V214 HydrophobicContact CG2-CG2 4.42Å; I210-V214 VanDerWaalsContact O-CG2 3.29Å; I210-V214 WeakPolarHBondContact O-CG2 3.25Å; I210-V214 PolarHBondContact O-N 3.13Å; I210-M237 HydrophobicContact CG2-CE 4.13Å
211L90.3Very high87.2Confident1 Ų152 Ų521%0.00525%0.25CS..Hα-helixtrans-61.1-45.2178.9-75172.3000111.7L207 Y208 E213 V214 I215 L234 M237 I244 Y254L207-L211 HydrophobicContact CD1-CD1 4.08Å; L207-L211 HydrophobicContact CD1-CG 4.29Å; L207-L211 HydrophobicContact CG-CD1 4Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 WeakPolarHBondContact O-CG 3.34Å; L207-L211 PolarHBondContact O-N 2.99Å; Y208-L211 PolarHBondContact O-N 3.42Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 2.74Å; L211-V214 PolarHBondContact O-N 3.17Å; L211-I215 VanDerWaalsContact O-CB 3.29Å; L211-I215 WeakPolarHBondContact O-CB 3.48Å; L211-I215 WeakPolarHBondContact O-CD1 3.4Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.02Å; L211-L234 HydrophobicContact CD2-CD2 4.12Å; L211-M237 HydrophobicContact CD2-SD 3.72Å; L211-I244 HydrophobicContact CD2-CG2 4.33Å; L211-Y254 WeakPolarHBondContact CB-OH 3.24Å
212D90.1Very high87Confident78 Ų7849.7 Ų49.742%0.41726%0.257SS..Hα-helixtrans-61.7-42.7179.2-71-10.1000110.9Y208 I210 I215 F216 Y254Y208-D212 WeakPolarHBondContact O-CB 2.72Å; Y208-D212 PolarHBondContact O-N 3.33Å; I210-D212 PolarHBondContact O-N 3.43Å; D212-I215 PolarHBondContact O-N 2.9Å; D212-F216 WeakPolarHBondContact O-CB 3.16Å; D212-F216 PolarHBondContact O-N 3.48Å; D212-Y254 WeakPolarHBondContact OD1-CE1 3.21Å; D212-Y254 VanDerWaalsContact OD1-CZ 3.25Å; D212-Y254 PolarHBondContact OD1-OH 3.02Å
213E92.1Very high86.9Confident22 Ų2250.2 Ų50.210%0.10326%0.261CS..Hα-helixtrans-68.2-42.4177.3-17556.2-148.700112L173 Q174 S209 I210 L211 I215 F216 K217L173-E213 HydrophobicContact CB-CG 4.4Å; L173-E213 HydrophobicContact CD2-CB 4Å; L173-E213 HydrophobicContact CD2-CG 3.93Å; L173-E213 HydrophobicContact CG-CB 4.36Å; L173-E213 HydrophobicContact CG-CG 3.72Å; Q174-E213 HydrophobicContact CG-CG 4.14Å; S209-E213 WeakPolarHBondContact O-CB 3.32Å; S209-E213 PolarHBondContact O-N 3.19Å; S209-E213 VanDerWaalsContact O-N 3.07Å; I210-E213 PolarHBondContact O-N 3.25Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 2.74Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-I215 PolarHBondContact O-N 2.94Å; E213-F216 WeakPolarHBondContact O-CB 3.26Å; E213-F216 PolarHBondContact O-N 3.26Å; E213-K217 WeakPolarHBondContact O-CG 3.49Å; E213-K217 PolarHBondContact O-N 3.27Å; E213-K217 VanDerWaalsContact OE1-CE 3.27Å; E213-K217 WeakPolarHBondContact OE1-CE 3.33Å; E213-K217 IonicContact OE1-NZ 3.96Å; E213-K217 PolarHBondContact OE1-NZ 3.26Å
214V90.6Very high86.9Confident0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-63.9-42.1176.5175.10000110.9L173 L188 I210 L211 K217 L218 A230 L233 L234L173-V214 HydrophobicContact CD2-CG2 4.46Å; L188-V214 HydrophobicContact CD2-CG2 4.26Å; I210-V214 HydrophobicContact CG2-CG2 4.42Å; I210-V214 VanDerWaalsContact O-CG2 3.29Å; I210-V214 WeakPolarHBondContact O-CG2 3.25Å; I210-V214 PolarHBondContact O-N 3.13Å; L211-V214 PolarHBondContact O-N 3.17Å; V214-K217 PolarHBondContact O-N 2.72Å; V214-L218 PolarHBondContact O-N 3.45Å; V214-A230 HydrophobicContact CG1-CB 3.97Å; V214-L233 HydrophobicContact CG1-CB 4.21Å; V214-L233 HydrophobicContact CG2-CD1 4.49Å; V214-L234 HydrophobicContact CG1-CD1 4.26Å; V214-L234 HydrophobicContact CG1-CD2 4Å; V214-L234 HydrophobicContact CG1-CG 3.73Å
215I89.8Confident86.8Confident20 Ų2045.6 Ų45.610%0.10325%0.249CC..Hα-helixtrans-64.1-44174.6-71.7168000110.2L211 D212 E213 K217 L218 F219 L234 L248 Y254 L257L211-I215 VanDerWaalsContact O-CB 3.29Å; L211-I215 WeakPolarHBondContact O-CB 3.48Å; L211-I215 WeakPolarHBondContact O-CD1 3.4Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.02Å; D212-I215 PolarHBondContact O-N 2.9Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-I215 PolarHBondContact O-N 2.94Å; I215-K217 PolarHBondContact O-N 3.32Å; I215-L218 WeakPolarHBondContact O-CB 3.33Å; I215-L218 PolarHBondContact O-N 2.93Å; I215-L218 VanDerWaalsContact O-N 3.16Å; I215-F219 HydrophobicContact CG2-CD2 3.83Å; I215-F219 HydrophobicContact CG2-CE2 3.87Å; I215-F219 WeakPolarHBondContact O-CD2 2.89Å; I215-F219 PolarHBondContact O-N 2.89Å; I215-F219 VanDerWaalsContact O-N 3.17Å; I215-L234 HydrophobicContact CG1-CD1 4.04Å; I215-L234 HydrophobicContact CG1-CD2 4.11Å; I215-L248 HydrophobicContact CD1-CD2 4Å; I215-Y254 HydrophobicContact CD1-CD1 3.58Å; I215-Y254 HydrophobicContact CD1-CE1 3.37Å; I215-Y254 HydrophobicContact CD1-CG 4.42Å; I215-L257 HydrophobicContact CD1-CD2 4.31Å; I215-L257 HydrophobicContact CG2-CD1 4.16Å
216F89.3Confident86.8Confident101 Ų10137.5 Ų37.544%0.44321%0.214SC..Hα-helixtrans-58.4-46.9176.3177.5-99.1000111.1D212 E213 L218 F219 S220D212-F216 WeakPolarHBondContact O-CB 3.16Å; D212-F216 PolarHBondContact O-N 3.48Å; E213-F216 WeakPolarHBondContact O-CB 3.26Å; E213-F216 PolarHBondContact O-N 3.26Å; F216-L218 VanDerWaalsContact C-N 3.28Å; F216-L218 PolarHBondContact O-N 3.45Å; F216-F219 PolarHBondContact O-N 3.41Å; F216-S220 WeakPolarHBondContact CD2-OG 3.18Å; F216-S220 WeakPolarHBondContact CE2-OG 3.4Å; F216-S220 WeakPolarHBondContact O-CB 3.38Å; F216-S220 PolarHBondContact O-N 3.29Å; F216-S220 PolarHBondContact O-OG 2.97Å
217K87.4Confident86.7Confident3 Ų338.7 Ų38.71%0.01321%0.213CC..Hα-helixtrans-63.8-30.6176.5-71.5-164.8-165.9-500113.7L173 A175 M185 E213 V214 I215 T221 I226L173-K217 WeakPolarHBondContact O-CE 3.43Å; L173-K217 PolarHBondContact O-NZ 3.45Å; A175-K217 PolarHBondContact O-NZ 2.74Å; M185-K217 HydrophobicContact CE-CD 4.47Å; M185-K217 HydrophobicContact CG-CD 4.46Å; M185-K217 HydrophobicContact SD-CD 3.76Å; E213-K217 WeakPolarHBondContact O-CG 3.49Å; E213-K217 PolarHBondContact O-N 3.27Å; E213-K217 VanDerWaalsContact OE1-CE 3.27Å; E213-K217 WeakPolarHBondContact OE1-CE 3.33Å; E213-K217 IonicContact OE1-NZ 3.96Å; E213-K217 PolarHBondContact OE1-NZ 3.26Å; V214-K217 PolarHBondContact O-N 2.72Å; I215-K217 PolarHBondContact O-N 3.32Å; K217-T221 VanDerWaalsContact O-CB 3.3Å; K217-T221 WeakPolarHBondContact O-CB 3.2Å; K217-T221 PolarHBondContact O-OG1 2.85Å; K217-I226 HydrophobicContact CB-CG2 3.87Å; K217-I226 HydrophobicContact CD-CG2 4.19Å; K217-I226 HydrophobicContact CG-CG2 4.46Å
218L87.8Confident86.5Confident0 Ų039.4 Ų39.40%022%0.219CC..Hα-helixtrans-66.4-38.8174.7-178.860.2000112.5V214 I215 F216 R227 A230 T231 L234 L261V214-L218 PolarHBondContact O-N 3.45Å; I215-L218 WeakPolarHBondContact O-CB 3.33Å; I215-L218 PolarHBondContact O-N 2.93Å; I215-L218 VanDerWaalsContact O-N 3.16Å; F216-L218 VanDerWaalsContact C-N 3.28Å; F216-L218 PolarHBondContact O-N 3.45Å; L218-R227 HydrophobicContact CD1-CB 4.09Å; L218-R227 WeakPolarHBondContact CD1-O 3.42Å; L218-R227 WeakPolarHBondContact O-CD 3.36Å; L218-R227 WeakPolarHBondContact O-CG 3.3Å; L218-A230 HydrophobicContact CB-CB 4.07Å; L218-A230 HydrophobicContact CD1-CB 4.46Å; L218-T231 WeakPolarHBondContact CD1-OG1 3.35Å; L218-L234 HydrophobicContact CD2-CD1 3.85Å; L218-L261 HydrophobicContact CD2-CD2 3.55Å
219F83.6Confident86.4Confident56 Ų5636.9 Ų36.925%0.24621%0.21CC..Hα-helixtrans-95.7-36.9-174.9-70.9-68.7000114.4I215 F216 L257 L260 L261I215-F219 HydrophobicContact CG2-CD2 3.83Å; I215-F219 HydrophobicContact CG2-CE2 3.87Å; I215-F219 WeakPolarHBondContact O-CD2 2.89Å; I215-F219 PolarHBondContact O-N 2.89Å; I215-F219 VanDerWaalsContact O-N 3.17Å; F216-F219 PolarHBondContact O-N 3.41Å; F219-L257 HydrophobicContact CE2-CD1 3.45Å; F219-L257 VanDerWaalsContact CE2-CD1 3.45Å; F219-L257 HydrophobicContact CZ-CD1 3.78Å; F219-L260 HydrophobicContact CD1-CB 4.42Å; F219-L260 HydrophobicContact CE1-CB 3.59Å; F219-L260 HydrophobicContact CZ-CB 3.73Å; F219-L261 HydrophobicContact CE1-CD2 4.19Å; F219-L261 HydrophobicContact CE2-CD2 4.43Å; F219-L261 HydrophobicContact CZ-CD2 3.59Å; F219-L261 HydrophobicContact CZ-CG 3.94Å
220S83.6Confident86.4Confident66 Ų6635.3 Ų35.346%0.46220%0.2SC..Hα-helixtrans-94.9-21.2-169-56.80000113.4F216F216-S220 WeakPolarHBondContact CD2-OG 3.18Å; F216-S220 WeakPolarHBondContact CE2-OG 3.4Å; F216-S220 WeakPolarHBondContact O-CB 3.38Å; F216-S220 PolarHBondContact O-N 3.29Å; F216-S220 PolarHBondContact O-OG 2.97Å
221T81.9Confident86.2Confident25 Ų2535.2 Ų35.215%0.15320%0.199CC..  trans-88.6129.9-175.7-49.70000112.1K217 S223 I226 R227K217-T221 VanDerWaalsContact O-CB 3.3Å; K217-T221 WeakPolarHBondContact O-CB 3.2Å; K217-T221 PolarHBondContact O-OG1 2.85Å; T221-S223 VanDerWaalsContact C-N 3.33Å; T221-S223 PolarHBondContact O-N 3.45Å; T221-I226 HydrophobicContact CG2-CB 4Å; T221-I226 HydrophobicContact CG2-CD1 3.77Å; T221-I226 HydrophobicContact CG2-CG1 4.42Å; T221-I226 HydrophobicContact CG2-CG2 3.83Å; T221-R227 WeakPolarHBondContact O-CD 3.22Å
222P76.6Confident86.2Confident120 Ų12038.8 Ų38.878%0.77921%0.214SC*.  trans-73.5-22.5179.727.9-34.4000113.6
223S82.6Confident86.2Confident18 Ų1835.1 Ų35.113%0.12620%0.195CC..  trans-67.3124.9-178.3177.20000112T221 V225 I226 R227T221-S223 VanDerWaalsContact C-N 3.33Å; T221-S223 PolarHBondContact O-N 3.45Å; S223-V225 VanDerWaalsContact C-N 3.3Å; S223-V225 PolarHBondContact O-N 2.99Å; S223-V225 PolarHBondContact OG-N 2.82Å; S223-I226 PolarHBondContact O-N 2.93Å; S223-R227 PolarHBondContact O-N 3.27Å
224P81.8Confident86Confident64 Ų6434.1 Ų34.142%0.41619%0.19SC..Hα-helixtrans-67-30.7177.628-34000112.6I226 R227 S228 T268P224-I226 VanDerWaalsContact C-N 3.35Å; P224-I226 PolarHBondContact O-N 3.39Å; P224-R227 PolarHBondContact O-N 2.87Å; P224-S228 WeakPolarHBondContact O-CB 3.29Å; P224-S228 PolarHBondContact O-N 3.44Å; P224-T268 HydrophobicContact CB-CG2 4.48Å
225V82.3Confident86Confident81 Ų8134.9 Ų34.949%0.49119%0.194SC..Hα-helixtrans-64.1-42.7179.2-177.80000110.5S223 S228 T229S223-V225 VanDerWaalsContact C-N 3.3Å; S223-V225 PolarHBondContact O-N 2.99Å; S223-V225 PolarHBondContact OG-N 2.82Å; V225-S228 PolarHBondContact O-N 3.15Å; V225-T229 WeakPolarHBondContact O-CB 3.38Å; V225-T229 PolarHBondContact O-N 2.98Å; V225-T229 PolarHBondContact O-OG1 3.16Å
226I84.9Confident85.9Confident2 Ų235.4 Ų35.41%0.0120%0.197CC..Hα-helixtrans-66.8-46178.6-71.7-176.7000110.9V178 M185 K217 T221 S223 P224 S228 T229 A230V178-I226 HydrophobicContact CB-CD1 4.25Å; V178-I226 HydrophobicContact CG1-CD1 4.05Å; V178-I226 HydrophobicContact CG1-CG1 4.36Å; V178-I226 HydrophobicContact CG2-CD1 4.31Å; M185-I226 HydrophobicContact CE-CB 3.88Å; M185-I226 HydrophobicContact CE-CG1 3.73Å; M185-I226 HydrophobicContact CE-CG2 3.65Å; M185-I226 HydrophobicContact SD-CG2 4.26Å; K217-I226 HydrophobicContact CB-CG2 3.87Å; K217-I226 HydrophobicContact CD-CG2 4.19Å; K217-I226 HydrophobicContact CG-CG2 4.46Å; T221-I226 HydrophobicContact CG2-CB 4Å; T221-I226 HydrophobicContact CG2-CD1 3.77Å; T221-I226 HydrophobicContact CG2-CG1 4.42Å; T221-I226 HydrophobicContact CG2-CG2 3.83Å; S223-I226 PolarHBondContact O-N 2.93Å; P224-I226 VanDerWaalsContact C-N 3.35Å; P224-I226 PolarHBondContact O-N 3.39Å; I226-S228 VanDerWaalsContact C-N 3.35Å; I226-S228 PolarHBondContact O-N 3.44Å; I226-T229 PolarHBondContact O-N 3.42Å; I226-A230 WeakPolarHBondContact O-CB 3.46Å; I226-A230 PolarHBondContact O-N 2.87Å
227R86.3Confident85.9Confident48 Ų4830.6 Ų30.618%0.18118%0.176CC..Hα-helixtrans-62.4-40.7178.2-67.7-172.1-68.8148.50.1112.4L218 T221 S223 P224 T231 F270L218-R227 HydrophobicContact CD1-CB 4.09Å; L218-R227 WeakPolarHBondContact CD1-O 3.42Å; L218-R227 WeakPolarHBondContact O-CD 3.36Å; L218-R227 WeakPolarHBondContact O-CG 3.3Å; T221-R227 WeakPolarHBondContact O-CD 3.22Å; S223-R227 PolarHBondContact O-N 3.27Å; P224-R227 PolarHBondContact O-N 2.87Å; R227-T231 WeakPolarHBondContact O-CB 3.38Å; R227-T231 PolarHBondContact O-N 3.34Å; R227-T231 PolarHBondContact O-OG1 2.95Å; R227-F270 HydrophobicContact CB-CE1 4.21Å; R227-F270 HydrophobicContact CB-CE2 4.06Å; R227-F270 HydrophobicContact CB-CZ 3.76Å
228S85.3Confident85.8Confident22 Ų2230.7 Ų30.715%0.15418%0.177CC..Hα-helixtrans-61.7-47.9174.9-178.20000111.4P224 V225 I226 T231 K232P224-S228 WeakPolarHBondContact O-CB 3.29Å; P224-S228 PolarHBondContact O-N 3.44Å; V225-S228 PolarHBondContact O-N 3.15Å; I226-S228 VanDerWaalsContact C-N 3.35Å; I226-S228 PolarHBondContact O-N 3.44Å; S228-T231 WeakPolarHBondContact O-CB 3.44Å; S228-T231 PolarHBondContact O-N 3.42Å; S228-K232 WeakPolarHBondContact O-CG 3.4Å; S228-K232 PolarHBondContact O-N 2.86Å
229T86.7Confident85.6Confident12 Ų1236.5 Ų36.57%0.07420%0.204CC..Hα-helixtrans-64.6-43179.9-49.20000111.4M185 M186 V225 I226 T231 K232 L233M185-T229 HydrophobicContact CB-CG2 3.78Å; M185-T229 HydrophobicContact CE-CG2 4.32Å; M186-T229 HydrophobicContact SD-CG2 4.24Å; V225-T229 WeakPolarHBondContact O-CB 3.38Å; V225-T229 PolarHBondContact O-N 2.98Å; V225-T229 PolarHBondContact O-OG1 3.16Å; I226-T229 PolarHBondContact O-N 3.42Å; T229-T231 VanDerWaalsContact C-N 3.34Å; T229-T231 PolarHBondContact O-N 3.2Å; T229-K232 PolarHBondContact O-N 3.35Å; T229-L233 HydrophobicContact CG2-CD1 4.42Å; T229-L233 WeakPolarHBondContact O-CB 3.49Å; T229-L233 WeakPolarHBondContact O-CG 3.41Å; T229-L233 PolarHBondContact O-N 3.03Å
230A89.6Confident85.5Confident0 Ų035.9 Ų35.90%021%0.207CC..Hα-helixtrans-61.9-39.8174.900000112.4M185 V214 L218 I226 L233 L234M185-A230 HydrophobicContact SD-CB 4.41Å; V214-A230 HydrophobicContact CG1-CB 3.97Å; L218-A230 HydrophobicContact CB-CB 4.07Å; L218-A230 HydrophobicContact CD1-CB 4.46Å; I226-A230 WeakPolarHBondContact O-CB 3.46Å; I226-A230 PolarHBondContact O-N 2.87Å; A230-L233 PolarHBondContact O-N 3.26Å; A230-L234 WeakPolarHBondContact O-CG 3.17Å; A230-L234 PolarHBondContact O-N 3.48Å
231T88.6Confident85.4Confident0 Ų034.2 Ų34.20%019%0.192CC..Hα-helixtrans-62.8-46.5175-55.30000111.2L218 R227 S228 T229 L233 L234 L235 E273 L274 L277L218-T231 WeakPolarHBondContact CD1-OG1 3.35Å; R227-T231 WeakPolarHBondContact O-CB 3.38Å; R227-T231 PolarHBondContact O-N 3.34Å; R227-T231 PolarHBondContact O-OG1 2.95Å; S228-T231 WeakPolarHBondContact O-CB 3.44Å; S228-T231 PolarHBondContact O-N 3.42Å; T229-T231 VanDerWaalsContact C-N 3.34Å; T229-T231 PolarHBondContact O-N 3.2Å; T231-L233 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.31Å; T231-L234 PolarHBondContact O-N 3.49Å; T231-L235 WeakPolarHBondContact O-CB 3.42Å; T231-L235 PolarHBondContact O-N 3.36Å; T231-E273 HydrophobicContact CG2-CB 3.93Å; T231-L274 HydrophobicContact CG2-CB 4.4Å; T231-L274 HydrophobicContact CG2-CD2 3.69Å; T231-L274 HydrophobicContact CG2-CG 3.87Å; T231-L277 HydrophobicContact CG2-CD2 4.29Å
232K88.9Confident85.3Confident77 Ų7737.5 Ų37.534%0.33521%0.206SC..Hα-helixtrans-62.3-40.6177.8-73174.7-178.9179.10112S228 T229 L235 L236 E273S228-K232 WeakPolarHBondContact O-CG 3.4Å; S228-K232 PolarHBondContact O-N 2.86Å; T229-K232 PolarHBondContact O-N 3.35Å; K232-L235 PolarHBondContact O-N 2.96Å; K232-L236 VanDerWaalsContact O-CB 3.26Å; K232-L236 WeakPolarHBondContact O-CB 3.34Å; K232-L236 PolarHBondContact O-N 3.4Å; K232-E273 WeakPolarHBondContact CE-OE1 3.45Å; K232-E273 HydrophobicContact CG-CG 4.12Å; K232-E273 IonicContact NZ-OE1 3.93Å
233L89.7Confident85.5Confident0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-60.7-49.7174.2-80.7169.8000111.7M185 L188 Q189 L192 V214 T229 A230 T231 L235 L236 M237M185-L233 HydrophobicContact CB-CD1 3.94Å; M185-L233 HydrophobicContact CG-CD1 4.13Å; M185-L233 HydrophobicContact SD-CD1 4.44Å; L188-L233 HydrophobicContact CB-CD2 4.37Å; L188-L233 HydrophobicContact CD2-CD1 4.24Å; L188-L233 HydrophobicContact CD2-CD2 4.32Å; L188-L233 HydrophobicContact CG-CD2 4Å; Q189-L233 VanDerWaalsContact CA-CD2 3.44Å; Q189-L233 HydrophobicContact CB-CD2 3.61Å; Q189-L233 HydrophobicContact CB-CG 4.32Å; Q189-L233 HydrophobicContact CG-CD2 4.21Å; L192-L233 HydrophobicContact CD1-CD2 3.93Å; V214-L233 HydrophobicContact CG1-CB 4.21Å; V214-L233 HydrophobicContact CG2-CD1 4.49Å; T229-L233 HydrophobicContact CG2-CD1 4.42Å; T229-L233 WeakPolarHBondContact O-CB 3.49Å; T229-L233 WeakPolarHBondContact O-CG 3.41Å; T229-L233 PolarHBondContact O-N 3.03Å; A230-L233 PolarHBondContact O-N 3.26Å; T231-L233 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.31Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.31Å; L233-L236 PolarHBondContact O-N 3.43Å; L233-M237 WeakPolarHBondContact O-CB 3.29Å; L233-M237 WeakPolarHBondContact O-CG 3.3Å; L233-M237 PolarHBondContact O-N 2.95Å
234L89.6Confident85.6Confident2 Ų236 Ų361%0.0119%0.186CC..Hα-helixtrans-63.2-39.5178.3-72.4172.3000112.3L211 V214 I215 L218 A230 T231 A238 L277L211-L234 HydrophobicContact CD2-CD2 4.12Å; V214-L234 HydrophobicContact CG1-CD1 4.26Å; V214-L234 HydrophobicContact CG1-CD2 4Å; V214-L234 HydrophobicContact CG1-CG 3.73Å; I215-L234 HydrophobicContact CG1-CD1 4.04Å; I215-L234 HydrophobicContact CG1-CD2 4.11Å; L218-L234 HydrophobicContact CD2-CD1 3.85Å; A230-L234 WeakPolarHBondContact O-CG 3.17Å; A230-L234 PolarHBondContact O-N 3.48Å; T231-L234 PolarHBondContact O-N 3.49Å; L234-A238 WeakPolarHBondContact O-CB 3.47Å; L234-A238 PolarHBondContact O-N 3.07Å; L234-L277 HydrophobicContact CB-CD1 4.29Å; L234-L277 HydrophobicContact CB-CD2 3.97Å; L234-L277 HydrophobicContact CD1-CD2 4.31Å
235L88.9Confident85.6Confident15 Ų1533.8 Ų33.88%0.07917%0.171CC..Hα-helixtrans-60.5-51.1174.2-169.581.5000110.3T231 K232 L233 M237 A238 E239 Q276 L277 L280T231-L235 WeakPolarHBondContact O-CB 3.42Å; T231-L235 PolarHBondContact O-N 3.36Å; K232-L235 PolarHBondContact O-N 2.96Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.31Å; L235-M237 VanDerWaalsContact C-N 3.34Å; L235-M237 PolarHBondContact O-N 3.46Å; L235-A238 PolarHBondContact O-N 3.48Å; L235-A238 VanDerWaalsContact O-N 3.15Å; L235-E239 HydrophobicContact CG-CG 4.35Å; L235-E239 WeakPolarHBondContact O-CB 3.47Å; L235-E239 WeakPolarHBondContact O-CG 3.31Å; L235-E239 PolarHBondContact O-N 3.14Å; L235-Q276 HydrophobicContact CD1-CB 3.76Å; L235-L277 HydrophobicContact CD1-CB 4.02Å; L235-L277 HydrophobicContact CD1-CD1 4.48Å; L235-L280 HydrophobicContact CD1-CD1 3.73Å
236L88.6Confident85.5Confident31 Ų3133 Ų3316%0.16216%0.163CC..Hα-helixtrans-61.1-41.6-179.7-173.1143.6000111.8L192 Q193 K232 L233 S240L192-L236 HydrophobicContact CB-CD2 3.33Å; L192-L236 HydrophobicContact CD1-CD2 3.96Å; L192-L236 HydrophobicContact CG-CD2 4.26Å; Q193-L236 HydrophobicContact CG-CD1 3.79Å; K232-L236 VanDerWaalsContact O-CB 3.26Å; K232-L236 WeakPolarHBondContact O-CB 3.34Å; K232-L236 PolarHBondContact O-N 3.4Å; L233-L236 PolarHBondContact O-N 3.43Å; L236-S240 WeakPolarHBondContact O-CB 3.49Å; L236-S240 PolarHBondContact O-N 3.37Å; L236-S240 PolarHBondContact O-OG 3.04Å
237M88.4Confident85.5Confident1 Ų135 Ų351%0.00517%0.173CC..Hα-helixtrans-65-41.1175.1-68.4176.2-179.300112.3L188 L192 L199 I210 L211 L233 L235 H241 I244L188-M237 HydrophobicContact CD2-CE 4.05Å; L188-M237 HydrophobicContact CG-CE 4.46Å; L192-M237 HydrophobicContact CD1-CE 3.5Å; L192-M237 HydrophobicContact CD1-CG 3.81Å; L199-M237 HydrophobicContact CD2-CB 4.23Å; L199-M237 HydrophobicContact CD2-CE 4.23Å; L199-M237 HydrophobicContact CD2-CG 3.63Å; L199-M237 HydrophobicContact CD2-SD 4Å; I210-M237 HydrophobicContact CG2-CE 4.13Å; L211-M237 HydrophobicContact CD2-SD 3.72Å; L233-M237 WeakPolarHBondContact O-CB 3.29Å; L233-M237 WeakPolarHBondContact O-CG 3.3Å; L233-M237 PolarHBondContact O-N 2.95Å; L235-M237 VanDerWaalsContact C-N 3.34Å; L235-M237 PolarHBondContact O-N 3.46Å; M237-H241 PolarHBondContact O-N 2.93Å; M237-I244 HydrophobicContact CB-CD1 4.29Å; M237-I244 HydrophobicContact CB-CG2 4.24Å
238A86Confident85.3Confident5 Ų533 Ų334%0.04117%0.166CC..Hα-helixtrans-73.9-34.3-178.900000113.3L234 L235 L245 L248L234-A238 WeakPolarHBondContact O-CB 3.47Å; L234-A238 PolarHBondContact O-N 3.07Å; L235-A238 PolarHBondContact O-N 3.48Å; L235-A238 VanDerWaalsContact O-N 3.15Å; A238-L245 HydrophobicContact CB-CD1 3.97Å; A238-L248 HydrophobicContact CB-CD1 4.43Å
239E84.2Confident84.8Confident121 Ų12134.4 Ų34.457%0.56517%0.168SC*.Hα-helixtrans-75-35.5175.2-73179.5168.800111.8L235 L280L235-E239 HydrophobicContact CG-CG 4.35Å; L235-E239 WeakPolarHBondContact O-CB 3.47Å; L235-E239 WeakPolarHBondContact O-CG 3.31Å; L235-E239 PolarHBondContact O-N 3.14Å; E239-L280 HydrophobicContact CG-CD1 3.51Å
240S81.4Confident84.1Confident44 Ų4440.5 Ų40.531%0.30820%0.196SC..Hα-helixtrans-69.6-37.5-179.2-63.10000112.7S196 L236S196-S240 WeakPolarHBondContact CB-OG 3.24Å; L236-S240 WeakPolarHBondContact O-CB 3.49Å; L236-S240 PolarHBondContact O-N 3.37Å; L236-S240 PolarHBondContact O-OG 3.04Å
241H80.6Confident83.5Confident30 Ų3041.4 Ų41.414%0.13920%0.202CC..  trans-139.3126.2-173.1-65.9-64.1000113.9S196 L200 M237 E243 I244 L245S196-H241 PolarHBondContact O-CD2 2.64Å; S196-H241 PolarHBondContact O-NE2 2.9Å; L200-H241 HydrophobicContact CD1-CB 3.94Å; L200-H241 HydrophobicContact CG-CB 4.33Å; M237-H241 PolarHBondContact O-N 2.93Å; H241-E243 VanDerWaalsContact C-N 3.29Å; H241-E243 PolarHBondContact O-N 3Å; H241-I244 HydrophobicContact CB-CB 4.48Å; H241-I244 HydrophobicContact CB-CD1 4.09Å; H241-I244 HydrophobicContact CB-CG1 4.11Å; H241-I244 PolarHBondContact O-N 3.49Å; H241-L245 PolarHBondContact O-N 3.28Å
242Q80Confident82.7Confident95 Ų9547.4 Ų47.444%0.44424%0.239SC..Hα-helixtrans-67.7-29.9-179.1-159.4177.414.300112.2L245 I246Q242-L245 WeakPolarHBondContact O-CB 3.45Å; Q242-L245 PolarHBondContact O-N 2.7Å; Q242-I246 HydrophobicContact CG-CD1 4.33Å; Q242-I246 VanDerWaalsContact O-CG1 3.24Å; Q242-I246 WeakPolarHBondContact O-CG1 3.48Å; Q242-I246 PolarHBondContact O-N 3.2Å
243E81.8Confident81.9Confident105 Ų10547.8 Ų47.849%0.49125%0.251SS..Hα-helixtrans-64.7-41.9177.4-68.178.5-177.200111.8L200 H241 L245 I246 L247L200-E243 HydrophobicContact CD1-CB 4.26Å; L200-E243 HydrophobicContact CD1-CG 4.34Å; L200-E243 HydrophobicContact CD2-CB 3.93Å; H241-E243 VanDerWaalsContact C-N 3.29Å; H241-E243 PolarHBondContact O-N 3Å; E243-L245 VanDerWaalsContact C-N 3.31Å; E243-I246 PolarHBondContact O-N 3.41Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.49Å; E243-L247 PolarHBondContact O-N 3.3Å
244I83.4Confident81.4Confident0 Ų048.6 Ų48.60%025%0.254CS..Hα-helixtrans-65.4-40.9175.8-60.8177.2000109.5L199 L200 L211 M237 H241 I246 L247 L248L199-I244 HydrophobicContact CD2-CD1 3.4Å; L199-I244 VanDerWaalsContact CD2-CD1 3.4Å; L199-I244 HydrophobicContact CG-CD1 4Å; L200-I244 HydrophobicContact CD2-CD1 4.42Å; L200-I244 HydrophobicContact CD2-CG1 3.95Å; L211-I244 HydrophobicContact CD2-CG2 4.33Å; M237-I244 HydrophobicContact CB-CD1 4.29Å; M237-I244 HydrophobicContact CB-CG2 4.24Å; H241-I244 HydrophobicContact CB-CB 4.48Å; H241-I244 HydrophobicContact CB-CD1 4.09Å; H241-I244 HydrophobicContact CB-CG1 4.11Å; H241-I244 PolarHBondContact O-N 3.49Å; I244-I246 VanDerWaalsContact C-N 3.34Å; I244-I246 PolarHBondContact O-N 3.49Å; I244-L247 WeakPolarHBondContact O-CB 3.48Å; I244-L247 PolarHBondContact O-N 2.92Å; I244-L248 HydrophobicContact CG2-CD1 4.12Å; I244-L248 HydrophobicContact CG2-CG 4.36Å; I244-L248 WeakPolarHBondContact O-CG 3.17Å; I244-L248 PolarHBondContact O-N 3.28Å
245L82.2Confident80.8Confident19 Ų1957.7 Ų57.710%0.09929%0.293CS..Hα-helixtrans-61.9-41.8175.4-175.469.3000112.3A238 H241 Q242 E243 L248 R249 L280 L281A238-L245 HydrophobicContact CB-CD1 3.97Å; H241-L245 PolarHBondContact O-N 3.28Å; Q242-L245 WeakPolarHBondContact O-CB 3.45Å; Q242-L245 PolarHBondContact O-N 2.7Å; E243-L245 VanDerWaalsContact C-N 3.31Å; L245-L248 PolarHBondContact O-N 2.98Å; L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 VanDerWaalsContact O-CG 3.29Å; L245-R249 WeakPolarHBondContact O-CG 3.39Å; L245-R249 PolarHBondContact O-N 3.3Å; L245-R249 VanDerWaalsContact O-N 3.1Å; L245-L280 HydrophobicContact CD1-CB 4.42Å; L245-L280 WeakPolarHBondContact CD1-O 3.2Å; L245-L281 HydrophobicContact CD1-CD2 4.05Å
246I80.9Confident80.1Confident63 Ų6358.5 Ų58.532%0.32331%0.305SS..Hα-helixtrans-62.4-44.2174.2-70.7163.5000110.2Q242 E243 I244 R249 Q250Q242-I246 HydrophobicContact CG-CD1 4.33Å; Q242-I246 VanDerWaalsContact O-CG1 3.24Å; Q242-I246 WeakPolarHBondContact O-CG1 3.48Å; Q242-I246 PolarHBondContact O-N 3.2Å; E243-I246 PolarHBondContact O-N 3.41Å; I244-I246 VanDerWaalsContact C-N 3.34Å; I244-I246 PolarHBondContact O-N 3.49Å; I246-R249 PolarHBondContact O-N 2.9Å; I246-Q250 HydrophobicContact CG2-CB 4.47Å; I246-Q250 HydrophobicContact CG2-CG 4.35Å; I246-Q250 WeakPolarHBondContact O-CB 3.44Å; I246-Q250 PolarHBondContact O-N 3.25Å
247L83.5Confident79.8Confident44 Ų4457.6 Ų57.623%0.2330%0.3CS..Hα-helixtrans-59.2-49.1177-73.6172.8000111.7L207 Y208 E243 I244 R249 S251L207-L247 HydrophobicContact CD2-CD1 4.15Å; Y208-L247 WeakPolarHBondContact OH-CD2 3.46Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.49Å; E243-L247 PolarHBondContact O-N 3.3Å; I244-L247 WeakPolarHBondContact O-CB 3.48Å; I244-L247 PolarHBondContact O-N 2.92Å; L247-R249 VanDerWaalsContact C-N 3.25Å; L247-R249 PolarHBondContact O-N 3.47Å; L247-S251 WeakPolarHBondContact O-CB 3.34Å; L247-S251 PolarHBondContact O-N 3.01Å
248L82.9Confident79.3Confident6 Ų663.8 Ų63.83%0.03132%0.324CS..Hα-helixtrans-63.6-29179.3-68.7174.3000113.1I215 A238 I244 L245 Y254 L257 L281I215-L248 HydrophobicContact CD1-CD2 4Å; A238-L248 HydrophobicContact CB-CD1 4.43Å; I244-L248 HydrophobicContact CG2-CD1 4.12Å; I244-L248 HydrophobicContact CG2-CG 4.36Å; I244-L248 WeakPolarHBondContact O-CG 3.17Å; I244-L248 PolarHBondContact O-N 3.28Å; L245-L248 PolarHBondContact O-N 2.98Å; L248-Y254 HydrophobicContact CD2-CD2 4.07Å; L248-Y254 HydrophobicContact CD2-CE2 4.24Å; L248-Y254 HydrophobicContact CD2-CG 4.37Å; L248-L257 HydrophobicContact CD2-CD2 4.02Å; L248-L281 HydrophobicContact CB-CD2 3.9Å
249R74.4Confident78.9Confident53 Ų5366.2 Ų66.220%0.234%0.341CS..Hα-helixtrans-88.6-42.1-179.7-71.7175173.2-151.6-1.3113.9L245 I246 L247 L280 L281 S282 C286L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 VanDerWaalsContact O-CG 3.29Å; L245-R249 WeakPolarHBondContact O-CG 3.39Å; L245-R249 PolarHBondContact O-N 3.3Å; L245-R249 VanDerWaalsContact O-N 3.1Å; I246-R249 PolarHBondContact O-N 2.9Å; L247-R249 VanDerWaalsContact C-N 3.25Å; L247-R249 PolarHBondContact O-N 3.47Å; R249-L280 PolarHBondContact NE-O 3Å; R249-L280 PolarHBondContact NH2-O 3.16Å; R249-L281 HydrophobicContact CG-CD2 3.7Å; R249-S282 VanDerWaalsContact CZ-O 3.23Å; R249-S282 PolarHBondContact NH1-O 2.71Å; R249-S282 PolarHBondContact NH2-O 3.44Å; R249-C286 PolarHBondContact NH1-SG 3.29Å
250Q73.1Confident78.7Confident139 Ų13964.5 Ų64.565%0.6534%0.335SS*.Hα-helixtrans-110.1-18.9-165.1-60.5-176-4.100113.6I246 T252I246-Q250 HydrophobicContact CG2-CB 4.47Å; I246-Q250 HydrophobicContact CG2-CG 4.35Å; I246-Q250 WeakPolarHBondContact O-CB 3.44Å; I246-Q250 PolarHBondContact O-N 3.25Å; Q250-T252 PolarHBondContact O-N 2.87Å
251S76Confident78.6Confident19 Ų1962.5 Ų62.513%0.13332%0.32CS..  trans-63.9137.9177.9-177.70000110.6L247 C253 Y254L247-S251 WeakPolarHBondContact O-CB 3.34Å; L247-S251 PolarHBondContact O-N 3.01Å; S251-C253 PolarHBondContact O-N 3.49Å; S251-C253 WeakPolarHBondContact OG-CB 3.2Å; S251-C253 PolarHBondContact OG-N 2.81Å; S251-Y254 PolarHBondContact O-N 3.3Å
252T73.2Confident78.2Confident127 Ų12763.4 Ų63.478%0.77933%0.331SS*.G310 helixtrans-58.8-27.8171.248.40000112Q250 Y254 K255Q250-T252 PolarHBondContact O-N 2.87Å; T252-Y254 VanDerWaalsContact C-N 3.31Å; T252-Y254 PolarHBondContact O-N 3.31Å; T252-K255 PolarHBondContact O-N 3.1Å
253C71.1Confident78Confident85 Ų8566.4 Ų66.457%0.57434%0.342SS*.G310 helixtrans-66-31.5-178.6-57.70000112.9S251S251-C253 PolarHBondContact O-N 3.49Å; S251-C253 WeakPolarHBondContact OG-CB 3.2Å; S251-C253 PolarHBondContact OG-N 2.81Å
254Y79.9Confident77.4Confident17 Ų1763.6 Ų63.67%0.06733%0.329CS..G310 helixtrans-110.219.3-176.3-54.8-57000112.9Y208 L211 D212 I215 L248 S251 T252 G256 L257Y208-Y254 HydrophobicContact CD1-CE2 4.2Å; Y208-Y254 WeakPolarHBondContact CD1-OH 3.27Å; Y208-Y254 HydrophobicContact CE1-CE2 4.08Å; L211-Y254 WeakPolarHBondContact CB-OH 3.24Å; D212-Y254 WeakPolarHBondContact OD1-CE1 3.21Å; D212-Y254 VanDerWaalsContact OD1-CZ 3.25Å; D212-Y254 PolarHBondContact OD1-OH 3.02Å; I215-Y254 HydrophobicContact CD1-CD1 3.58Å; I215-Y254 HydrophobicContact CD1-CE1 3.37Å; I215-Y254 HydrophobicContact CD1-CG 4.42Å; L248-Y254 HydrophobicContact CD2-CD2 4.07Å; L248-Y254 HydrophobicContact CD2-CE2 4.24Å; L248-Y254 HydrophobicContact CD2-CG 4.37Å; S251-Y254 PolarHBondContact O-N 3.3Å; T252-Y254 VanDerWaalsContact C-N 3.31Å; T252-Y254 PolarHBondContact O-N 3.31Å; Y254-G256 PolarHBondContact O-N 3.13Å; Y254-G256 VanDerWaalsContact O-N 3.09Å; Y254-L257 VanDerWaalsContact O-CB 3.23Å; Y254-L257 WeakPolarHBondContact O-CB 3.37Å; Y254-L257 PolarHBondContact O-N 3.2Å
255K76.6Confident76.2Confident193 Ų19368.2 Ų68.284%0.83935%0.35SS*.THydrogen-bonded Turntrans-61.9115.2178.8-172.1178.3-179.2-179.90110.1T252T252-K255 PolarHBondContact O-N 3.1Å
256G75Confident74.7Confident32 Ų3273.3 Ų73.333%0.3338%0.382SS..THydrogen-bonded Turntrans97.9-1.8-177.700000114.6Y254 R258 S259 L260Y254-G256 PolarHBondContact O-N 3.13Å; Y254-G256 VanDerWaalsContact O-N 3.09Å; G256-R258 VanDerWaalsContact C-N 3.26Å; G256-R258 PolarHBondContact O-N 2.83Å; G256-S259 PolarHBondContact O-N 2.9Å; G256-S259 PolarHBondContact O-OG 3.26Å; G256-L260 WeakPolarHBondContact O-CG 3.44Å; G256-L260 PolarHBondContact O-N 3.38Å
257L81.9Confident73.6Confident11 Ų1174.1 Ų74.16%0.05841%0.407CS..Hα-helixtrans-51.4-46.7173.4178.462.7000111.5I215 F219 L248 Y254 S259 L260 L261I215-L257 HydrophobicContact CD1-CD2 4.31Å; I215-L257 HydrophobicContact CG2-CD1 4.16Å; F219-L257 HydrophobicContact CE2-CD1 3.45Å; F219-L257 VanDerWaalsContact CE2-CD1 3.45Å; F219-L257 HydrophobicContact CZ-CD1 3.78Å; L248-L257 HydrophobicContact CD2-CD2 4.02Å; Y254-L257 VanDerWaalsContact O-CB 3.23Å; Y254-L257 WeakPolarHBondContact O-CB 3.37Å; Y254-L257 PolarHBondContact O-N 3.2Å; L257-S259 PolarHBondContact O-N 3.03Å; L257-L260 PolarHBondContact O-N 2.99Å; L257-L261 HydrophobicContact CD1-CD1 4.31Å; L257-L261 HydrophobicContact CD1-CG 4.33Å; L257-L261 HydrophobicContact CG-CD1 4.05Å; L257-L261 HydrophobicContact CG-CG 4.47Å; L257-L261 VanDerWaalsContact O-CG 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 3.15Å
258R78.3Confident72.4Confident131 Ų13174 Ų7449%0.49441%0.408SS..Hα-helixtrans-57.1-45.2175.8179.3-177.8170.3-166.4-2.2113.2G256 L260 L261 S262G256-R258 VanDerWaalsContact C-N 3.26Å; G256-R258 PolarHBondContact O-N 2.83Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.71Å; R258-L261 PolarHBondContact O-N 3.1Å; R258-S262 WeakPolarHBondContact O-CB 3.18Å; R258-S262 PolarHBondContact O-N 2.88Å; R258-S262 PolarHBondContact O-OG 3.31Å
259S76.1Confident71.2Confident57 Ų5783 Ų8340%0.39945%0.45SS..Hα-helixtrans-69.5-32.9-177.565.80000111.1G256 L257 S262 K263G256-S259 PolarHBondContact O-N 2.9Å; G256-S259 PolarHBondContact O-OG 3.26Å; L257-S259 PolarHBondContact O-N 3.03Å; S259-S262 WeakPolarHBondContact CA-OG 3.29Å; S259-S262 PolarHBondContact O-OG 2.94Å; S259-K263 VanDerWaalsContact O-CG 3.3Å; S259-K263 WeakPolarHBondContact O-CG 3.18Å; S259-K263 PolarHBondContact O-N 3.43Å
260L79.9Confident70.8Confident84 Ų8480.7 Ų80.744%0.4444%0.441SS..Hα-helixtrans-67.6-44.8172.6-65.9173.1000111.9F219 G256 L257 R258 K263F219-L260 HydrophobicContact CD1-CB 4.42Å; F219-L260 HydrophobicContact CE1-CB 3.59Å; F219-L260 HydrophobicContact CZ-CB 3.73Å; G256-L260 WeakPolarHBondContact O-CG 3.44Å; G256-L260 PolarHBondContact O-N 3.38Å; L257-L260 PolarHBondContact O-N 2.99Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.71Å; L260-K263 PolarHBondContact O-N 3.14Å
261L79.7Confident70.6Confident2 Ų275.8 Ų75.81%0.0142%0.422CS..Hα-helixtrans-61.7-44.6176.4-68.3172.8000112L218 F219 L257 R258 K263 Q264 L274 L277 V278 L281L218-L261 HydrophobicContact CD2-CD2 3.55Å; F219-L261 HydrophobicContact CE1-CD2 4.19Å; F219-L261 HydrophobicContact CE2-CD2 4.43Å; F219-L261 HydrophobicContact CZ-CD2 3.59Å; F219-L261 HydrophobicContact CZ-CG 3.94Å; L257-L261 HydrophobicContact CD1-CD1 4.31Å; L257-L261 HydrophobicContact CD1-CG 4.33Å; L257-L261 HydrophobicContact CG-CD1 4.05Å; L257-L261 HydrophobicContact CG-CG 4.47Å; L257-L261 VanDerWaalsContact O-CG 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 3.15Å; R258-L261 PolarHBondContact O-N 3.1Å; L261-K263 PolarHBondContact O-N 2.8Å; L261-Q264 PolarHBondContact O-N 2.81Å; L261-Q264 VanDerWaalsContact O-N 3.1Å; L261-L274 HydrophobicContact CD2-CD2 4.04Å; L261-L277 HydrophobicContact CD1-CD2 4.08Å; L261-L277 HydrophobicContact CD1-CG 4.36Å; L261-V278 HydrophobicContact CB-CG2 3.81Å; L261-L281 HydrophobicContact CD1-CD1 3.67Å
262S72.8Confident70.7Confident50 Ų5081 Ų8135%0.3544%0.444SS..Hα-helixtrans-64.4-23179.261.90000114R258 S259 E265R258-S262 WeakPolarHBondContact O-CB 3.18Å; R258-S262 PolarHBondContact O-N 2.88Å; R258-S262 PolarHBondContact O-OG 3.31Å; S259-S262 WeakPolarHBondContact CA-OG 3.29Å; S259-S262 PolarHBondContact O-OG 2.94Å; S262-E265 WeakPolarHBondContact O-CG 3.05Å
263K74.8Confident71Confident158 Ų15876.9 Ų76.969%0.68742%0.417SS*.Hα-helixtrans-79.2-19.5176.6-74.4173.3-177.9-175.60112.9S259 L260 L261 E265S259-K263 VanDerWaalsContact O-CG 3.3Å; S259-K263 WeakPolarHBondContact O-CG 3.18Å; S259-K263 PolarHBondContact O-N 3.43Å; L260-K263 PolarHBondContact O-N 3.14Å; L261-K263 PolarHBondContact O-N 2.8Å; K263-E265 VanDerWaalsContact C-N 3.3Å; K263-E265 PolarHBondContact O-N 3.23Å
264Q68.9Low71.5Confident45 Ų4573.2 Ų73.221%0.2139%0.391CS..THydrogen-bonded Turntrans-85.63.4-178.5-69.4-168-16.800113.7L261 T266L261-Q264 PolarHBondContact O-N 2.81Å; L261-Q264 VanDerWaalsContact O-N 3.1Å; Q264-T266 PolarHBondContact O-N 3.45Å
265E58.9Low71.5Confident97 Ų9780 Ų8045%0.45342%0.416SS..  trans-65.43.6-173.3-72.1-177.8176.100116S262 K263 G267S262-E265 WeakPolarHBondContact O-CG 3.05Å; K263-E265 VanDerWaalsContact C-N 3.3Å; K263-E265 PolarHBondContact O-N 3.23Å; E265-G267 PolarHBondContact O-N 3.17Å
266T51.8Low71.8Confident126 Ų12674.8 Ų74.877%0.77340%0.395SS*.SBendtrans-90.592.2-176.146.40000112.6Q264Q264-T266 PolarHBondContact O-N 3.45Å
267G57.1Low72.2Confident81 Ų8173.4 Ų73.484%0.83538%0.38SS*.SBendtrans8324.8147.600000119.2E265E265-G267 PolarHBondContact O-N 3.17Å
268T58.3Low72.2Confident42 Ų4273.9 Ų73.926%0.25838%0.383SS..  trans-110.7152.4178.7-21.30000113.7P224 F270 S271P224-T268 HydrophobicContact CB-CG2 4.48Å; T268-F270 VanDerWaalsContact CB-CE1 3.48Å; T268-F270 HydrophobicContact CG2-CD1 3.76Å; T268-F270 HydrophobicContact CG2-CE1 3.36Å; T268-F270 HydrophobicContact CG2-CZ 4.39Å; T268-F270 PolarHBondContact O-N 3.18Å; T268-F270 VanDerWaalsContact O-N 3.1Å; T268-S271 VanDerWaalsContact O-CB 3.24Å; T268-S271 WeakPolarHBondContact O-CB 3.21Å; T268-S271 PolarHBondContact O-N 3.45Å; T268-S271 VanDerWaalsContact O-N 3.13Å; T268-S271 PolarHBondContact O-OG 3.26Å
269E58.1Low72.3Confident193 Ų19369.3 Ų69.390%0.90238%0.378SS*.THydrogen-bonded Turntrans-59.5-18.4-174-68.1177.3162.100115.2
270F65.9Low72.4Confident5 Ų568.8 Ų68.82%0.02237%0.37CS..THydrogen-bonded Turntrans-99.918.9179.464.5-84.9000113.5R227 T268 Q272 L274R227-F270 HydrophobicContact CB-CE1 4.21Å; R227-F270 HydrophobicContact CB-CE2 4.06Å; R227-F270 HydrophobicContact CB-CZ 3.76Å; T268-F270 VanDerWaalsContact CB-CE1 3.48Å; T268-F270 HydrophobicContact CG2-CD1 3.76Å; T268-F270 HydrophobicContact CG2-CE1 3.36Å; T268-F270 HydrophobicContact CG2-CZ 4.39Å; T268-F270 PolarHBondContact O-N 3.18Å; T268-F270 VanDerWaalsContact O-N 3.1Å; F270-Q272 PolarHBondContact O-N 3.35Å; F270-L274 HydrophobicContact CD2-CD1 3.48Å; F270-L274 VanDerWaalsContact CD2-CD1 3.48Å; F270-L274 HydrophobicContact CD2-CD2 4.49Å; F270-L274 HydrophobicContact CD2-CG 3.65Å; F270-L274 HydrophobicContact CE2-CD1 3.21Å; F270-L274 HydrophobicContact CE2-CD2 4.29Å; F270-L274 HydrophobicContact CE2-CG 3.76Å; F270-L274 HydrophobicContact CZ-CD1 4.15Å; F270-L274 PolarHBondContact O-N 2.78Å
271S67.7Low72.2Confident36 Ų3665.4 Ų65.425%0.25235%0.352SS..Hα-helixtrans-66.2-21.6-177.352.80000113.9T268 R275T268-S271 VanDerWaalsContact O-CB 3.24Å; T268-S271 WeakPolarHBondContact O-CB 3.21Å; T268-S271 PolarHBondContact O-N 3.45Å; T268-S271 VanDerWaalsContact O-N 3.13Å; T268-S271 PolarHBondContact O-OG 3.26Å; S271-R275 WeakPolarHBondContact O-CB 3.43Å; S271-R275 WeakPolarHBondContact O-CG 3.07Å; S271-R275 PolarHBondContact O-N 3.45Å; S271-R275 VanDerWaalsContact O-N 3.1Å
272Q78.9Confident71.8Confident128 Ų12866.5 Ų66.560%0.59836%0.36SS*.Hα-helixtrans-72.8-50.6178.1-178.6175-8.700111.8F270 L274 R275 Q276F270-Q272 PolarHBondContact O-N 3.35Å; Q272-L274 VanDerWaalsContact C-N 3.28Å; Q272-L274 PolarHBondContact O-N 2.87Å; Q272-R275 WeakPolarHBondContact O-CB 3.2Å; Q272-R275 PolarHBondContact O-N 2.89Å; Q272-R275 VanDerWaalsContact O-N 3.15Å; Q272-Q276 WeakPolarHBondContact O-CG 3.3Å; Q272-Q276 PolarHBondContact O-N 2.87Å
273E79.9Confident71.2Confident42 Ų4267.6 Ų67.620%0.19637%0.366CS..Hα-helixtrans-64.8-35.8178.4-62.191.2154.700110.9T231 K232 Q276 L277T231-E273 HydrophobicContact CG2-CB 3.93Å; K232-E273 WeakPolarHBondContact CE-OE1 3.45Å; K232-E273 HydrophobicContact CG-CG 4.12Å; K232-E273 IonicContact NZ-OE1 3.93Å; E273-Q276 PolarHBondContact O-N 2.77Å; E273-L277 WeakPolarHBondContact O-CB 3.28Å; E273-L277 PolarHBondContact O-N 3.3Å
274L80.1Confident70.2Confident8 Ų864.3 Ų64.34%0.04236%0.359CS..Hα-helixtrans-61.2-44.4171.3-83.3176.5000112.5T231 L261 F270 Q272 Q276 L277 V278T231-L274 HydrophobicContact CG2-CB 4.4Å; T231-L274 HydrophobicContact CG2-CD2 3.69Å; T231-L274 HydrophobicContact CG2-CG 3.87Å; L261-L274 HydrophobicContact CD2-CD2 4.04Å; F270-L274 HydrophobicContact CD2-CD1 3.48Å; F270-L274 VanDerWaalsContact CD2-CD1 3.48Å; F270-L274 HydrophobicContact CD2-CD2 4.49Å; F270-L274 HydrophobicContact CD2-CG 3.65Å; F270-L274 HydrophobicContact CE2-CD1 3.21Å; F270-L274 HydrophobicContact CE2-CD2 4.29Å; F270-L274 HydrophobicContact CE2-CG 3.76Å; F270-L274 HydrophobicContact CZ-CD1 4.15Å; F270-L274 PolarHBondContact O-N 2.78Å; Q272-L274 VanDerWaalsContact C-N 3.28Å; Q272-L274 PolarHBondContact O-N 2.87Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; L274-L277 PolarHBondContact O-N 3.29Å; L274-V278 WeakPolarHBondContact O-CG2 3.45Å; L274-V278 PolarHBondContact O-N 3.19Å
275R80.9Confident69.5Low158 Ų15865.6 Ų65.660%0.59637%0.37SS*.Hα-helixtrans-64-39.9177.6-77.6172.5-168.8171.76.7111.7S271 Q272 V278 G279S271-R275 WeakPolarHBondContact O-CB 3.43Å; S271-R275 WeakPolarHBondContact O-CG 3.07Å; S271-R275 PolarHBondContact O-N 3.45Å; S271-R275 VanDerWaalsContact O-N 3.1Å; Q272-R275 WeakPolarHBondContact O-CB 3.2Å; Q272-R275 PolarHBondContact O-N 2.89Å; Q272-R275 VanDerWaalsContact O-N 3.15Å; R275-V278 PolarHBondContact O-N 3.33Å; R275-G279 PolarHBondContact O-N 3.48Å
276Q83.1Confident69.1Low84 Ų8462.5 Ų62.539%0.39336%0.359SS..Hα-helixtrans-61.7-46.6174.7-72.2174.5-14.200110.7L235 Q272 E273 L274 V278 G279 L280L235-Q276 HydrophobicContact CD1-CB 3.76Å; Q272-Q276 WeakPolarHBondContact O-CG 3.3Å; Q272-Q276 PolarHBondContact O-N 2.87Å; E273-Q276 PolarHBondContact O-N 2.77Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; Q276-V278 PolarHBondContact O-N 3.49Å; Q276-G279 PolarHBondContact O-N 2.6Å; Q276-L280 WeakPolarHBondContact O-CB 3.43Å; Q276-L280 WeakPolarHBondContact O-CG 3.41Å; Q276-L280 PolarHBondContact O-N 2.78Å
277L83.4Confident69.3Low3 Ų362.2 Ų62.22%0.01635%0.349CS..Hα-helixtrans-61.4-43.4176.4-176.262.9000111.8T231 L234 L235 L261 E273 L274 G279 L280 L281T231-L277 HydrophobicContact CG2-CD2 4.29Å; L234-L277 HydrophobicContact CB-CD1 4.29Å; L234-L277 HydrophobicContact CB-CD2 3.97Å; L234-L277 HydrophobicContact CD1-CD2 4.31Å; L235-L277 HydrophobicContact CD1-CB 4.02Å; L235-L277 HydrophobicContact CD1-CD1 4.48Å; L261-L277 HydrophobicContact CD1-CD2 4.08Å; L261-L277 HydrophobicContact CD1-CG 4.36Å; E273-L277 WeakPolarHBondContact O-CB 3.28Å; E273-L277 PolarHBondContact O-N 3.3Å; L274-L277 PolarHBondContact O-N 3.29Å; L277-G279 PolarHBondContact O-N 2.89Å; L277-L280 CarbonylContact O-C 3.51Å; L277-L280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CD1-CD1 4.37Å; L277-L281 HydrophobicContact CG-CD1 4.15Å; L277-L281 WeakPolarHBondContact O-CB 3.38Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.49Å; L277-L281 PolarHBondContact O-N 3.4Å
278V82.6Confident69.2Low21 Ų2164.4 Ų64.413%0.12734%0.337CS..Hα-helixtrans-64.4-40.1176.4174.10000111.5L261 L274 R275 Q276 L281 S282L261-V278 HydrophobicContact CB-CG2 3.81Å; L274-V278 WeakPolarHBondContact O-CG2 3.45Å; L274-V278 PolarHBondContact O-N 3.19Å; R275-V278 PolarHBondContact O-N 3.33Å; Q276-V278 PolarHBondContact O-N 3.49Å; V278-L281 PolarHBondContact O-N 2.94Å; V278-S282 PolarHBondContact O-N 2.96Å
279G80.4Confident69.2Low36 Ų3664.2 Ų64.237%0.37134%0.336SS..Hα-helixtrans-62.5-45.9173.600000112R275 Q276 L277 L281 S282R275-G279 PolarHBondContact O-N 3.48Å; Q276-G279 PolarHBondContact O-N 2.6Å; L277-G279 PolarHBondContact O-N 2.89Å; G279-L281 PolarHBondContact O-N 3.43Å; G279-S282 VanDerWaalsContact O-CB 3.28Å; G279-S282 WeakPolarHBondContact O-CB 3.44Å; G279-S282 PolarHBondContact O-N 3.49Å; G279-S282 PolarHBondContact O-OG 3.5Å
280L78.3Confident69.4Low45 Ų4561.3 Ų61.324%0.23632%0.322CS..Hα-helixtrans-67.5-15.8173.5-73.5-179.5000113.2L235 E239 L245 R249 Q276 L277L235-L280 HydrophobicContact CD1-CD1 3.73Å; E239-L280 HydrophobicContact CG-CD1 3.51Å; L245-L280 HydrophobicContact CD1-CB 4.42Å; L245-L280 WeakPolarHBondContact CD1-O 3.2Å; R249-L280 PolarHBondContact NE-O 3Å; R249-L280 PolarHBondContact NH2-O 3.16Å; Q276-L280 WeakPolarHBondContact O-CB 3.43Å; Q276-L280 WeakPolarHBondContact O-CG 3.41Å; Q276-L280 PolarHBondContact O-N 2.78Å; L277-L280 CarbonylContact O-C 3.51Å; L277-L280 PolarHBondContact O-N 2.9Å
281L75.3Confident69.4Low14 Ų1467 Ų677%0.07335%0.349CS..THydrogen-bonded Turntrans-93.3-1.3170.9-67.3170.2000112.4L245 L248 R249 L261 L277 V278 G279L245-L281 HydrophobicContact CD1-CD2 4.05Å; L248-L281 HydrophobicContact CB-CD2 3.9Å; R249-L281 HydrophobicContact CG-CD2 3.7Å; L261-L281 HydrophobicContact CD1-CD1 3.67Å; L277-L281 HydrophobicContact CD1-CD1 4.37Å; L277-L281 HydrophobicContact CG-CD1 4.15Å; L277-L281 WeakPolarHBondContact O-CB 3.38Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.49Å; L277-L281 PolarHBondContact O-N 3.4Å; V278-L281 PolarHBondContact O-N 2.94Å; G279-L281 PolarHBondContact O-N 3.43Å
282S69.9Low69.7Low24 Ų2471.4 Ų71.417%0.16837%0.365CS..SBendtrans-84.9141.3-178.978.90000112.9R249 V278 G279 T284R249-S282 VanDerWaalsContact CZ-O 3.23Å; R249-S282 PolarHBondContact NH1-O 2.71Å; R249-S282 PolarHBondContact NH2-O 3.44Å; V278-S282 PolarHBondContact O-N 2.96Å; G279-S282 VanDerWaalsContact O-CB 3.28Å; G279-S282 WeakPolarHBondContact O-CB 3.44Å; G279-S282 PolarHBondContact O-N 3.49Å; G279-S282 PolarHBondContact O-OG 3.5Å; S282-T284 PolarHBondContact O-N 3.2Å; S282-T284 PolarHBondContact OG-OG1 2.79Å
283P60.8Low69.7Low74 Ų7472 Ų7248%0.48137%0.366SS..THydrogen-bonded Turntrans-67.3-10.7-165.922.7-32.5000116.3V285 C286P283-V285 VanDerWaalsContact C-N 3.31Å; P283-V285 PolarHBondContact O-N 2.99Å; P283-C286 PolarHBondContact O-N 2.87Å
284T55Low69.8Low89 Ų8975.7 Ų75.755%0.54639%0.386SS..Hα-helixtrans-59.7-35.9-175.129.90000113.5S282S282-T284 PolarHBondContact O-N 3.2Å; S282-T284 PolarHBondContact OG-OG1 2.79Å
285V52.6Low69.9Low72 Ų7281.4 Ų81.444%0.43641%0.413SS..Hα-helixtrans-78.4-19.6-178.6-1750000113.2P283P283-V285 VanDerWaalsContact C-N 3.31Å; P283-V285 PolarHBondContact O-N 2.99Å
286C51.5Low70.2Confident32 Ų3280.3 Ų80.322%0.21641%0.414CS..Hα-helixtrans-82.3-31.4179.3-92.30000113.2R249 P283 E288 V289 E290R249-C286 PolarHBondContact NH1-SG 3.29Å; P283-C286 PolarHBondContact O-N 2.87Å; C286-E288 VanDerWaalsContact C-N 3.3Å; C286-E288 PolarHBondContact O-N 3.45Å; C286-V289 PolarHBondContact O-N 2.98Å; C286-E290 WeakPolarHBondContact O-CB 3.28Å; C286-E290 PolarHBondContact O-N 2.9Å
287Q55.2Low70.5Confident120 Ų12078.5 Ų78.556%0.56141%0.414SS*.Hα-helixtrans-61.1-41.3178.4-78.7178.8-26.600111.1V289 E290 E291Q287-V289 PolarHBondContact O-N 3.44Å; Q287-E290 PolarHBondContact O-N 3.46Å; Q287-E291 WeakPolarHBondContact O-CB 3.23Å; Q287-E291 WeakPolarHBondContact O-CG 3.48Å; Q287-E291 PolarHBondContact O-N 3.39Å
288E55.4Low70.8Confident126 Ų12680.2 Ų80.259%0.58943%0.429SS*.Hα-helixtrans-63.5-39.2179.4-63.5179.2173.800112.8C286 Q292C286-E288 VanDerWaalsContact C-N 3.3Å; C286-E288 PolarHBondContact O-N 3.45Å; E288-Q292 WeakPolarHBondContact O-CB 3.16Å; E288-Q292 VanDerWaalsContact O-CG 3.3Å; E288-Q292 WeakPolarHBondContact O-CG 3.29Å; E288-Q292 PolarHBondContact O-N 2.99Å
289V58.1Low71.2Confident39 Ų3981.8 Ų81.824%0.23644%0.44CS..Hα-helixtrans-72.9-39.2179.3178.30000111.4C286 Q287 Q292 K293C286-V289 PolarHBondContact O-N 2.98Å; Q287-V289 PolarHBondContact O-N 3.44Å; V289-Q292 PolarHBondContact O-N 3.28Å; V289-K293 WeakPolarHBondContact O-CG 3.32Å; V289-K293 PolarHBondContact O-N 2.91Å; V289-K293 VanDerWaalsContact O-N 3.1Å
290E63Low71.9Confident132 Ų13285.5 Ų85.562%0.61745%0.451SS*.Hα-helixtrans-70.9-38.1176.9-161.1158.7-156.600111.3C286 Q287 K293 L294C286-E290 WeakPolarHBondContact O-CB 3.28Å; C286-E290 PolarHBondContact O-N 2.9Å; Q287-E290 PolarHBondContact O-N 3.46Å; E290-K293 PolarHBondContact O-N 3.33Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 2.86Å
291E65.6Low72.6Confident123 Ų12389.1 Ų89.158%0.57547%0.469SS*.Hα-helixtrans-62.9-39.5171-76.5177.2-178.500112.2Q287 L294 H295Q287-E291 WeakPolarHBondContact O-CB 3.23Å; Q287-E291 WeakPolarHBondContact O-CG 3.48Å; Q287-E291 PolarHBondContact O-N 3.39Å; E291-L294 PolarHBondContact O-N 3.49Å; E291-H295 VanDerWaalsContact O-CB 3.25Å; E291-H295 WeakPolarHBondContact O-CB 3.43Å; E291-H295 PolarHBondContact O-N 3.1Å
292Q74.1Confident73.4Confident129 Ų12993.4 Ų93.460%0.60349%0.489SS*.Hα-helixtrans-62.8-41.1173.2-82177.1100112.3E288 V289 H295 Q296E288-Q292 WeakPolarHBondContact O-CB 3.16Å; E288-Q292 VanDerWaalsContact O-CG 3.3Å; E288-Q292 WeakPolarHBondContact O-CG 3.29Å; E288-Q292 PolarHBondContact O-N 2.99Å; V289-Q292 PolarHBondContact O-N 3.28Å; Q292-H295 PolarHBondContact O-N 3.19Å; Q292-Q296 PolarHBondContact O-N 2.99Å
293K79.4Confident74.5Confident142 Ų14295.1 Ų95.162%0.61750%0.504SS*.Hα-helixtrans-64.8-43.6175.1-73179.9-178.6178.80111.6V289 E290 H295 Q296 A297V289-K293 WeakPolarHBondContact O-CG 3.32Å; V289-K293 PolarHBondContact O-N 2.91Å; V289-K293 VanDerWaalsContact O-N 3.1Å; E290-K293 PolarHBondContact O-N 3.33Å; K293-H295 VanDerWaalsContact C-N 3.33Å; K293-H295 PolarHBondContact O-N 2.63Å; K293-Q296 PolarHBondContact O-N 3.49Å; K293-A297 WeakPolarHBondContact O-CB 3.23Å; K293-A297 PolarHBondContact O-N 3.37Å
294L81.7Confident76.1Confident118 Ų11899.9 Ų99.962%0.61851%0.514SS*.Hα-helixtrans-63.8-38.8175.4-70.3173.2000111.7E290 E291 A297 A298E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 2.86Å; E291-L294 PolarHBondContact O-N 3.49Å; L294-A297 PolarHBondContact O-N 2.9Å; L294-A298 WeakPolarHBondContact O-CB 2.95Å; L294-A298 PolarHBondContact O-N 2.58Å
295H81.1Confident77.9Confident129 Ų129102.8 Ų102.860%0.59752%0.515SS*.Hα-helixtrans-65.8-43.9176.5-171.680.6000112.1E291 Q292 K293 A298 C299E291-H295 VanDerWaalsContact O-CB 3.25Å; E291-H295 WeakPolarHBondContact O-CB 3.43Å; E291-H295 PolarHBondContact O-N 3.1Å; Q292-H295 PolarHBondContact O-N 3.19Å; K293-H295 VanDerWaalsContact C-N 3.33Å; K293-H295 PolarHBondContact O-N 2.63Å; H295-A298 PolarHBondContact O-N 2.96Å; H295-C299 WeakPolarHBondContact O-CB 3.13Å; H295-C299 PolarHBondContact O-N 3.27Å; H295-C299 PolarHBondContact O-SG 3.47Å
296Q88.3Confident79.9Confident134 Ų134105.6 Ų105.663%0.62652%0.521SS*.Hα-helixtrans-61.9-44.2174.3-80.6-177.2-9.300112Q292 K293 A298 C299 L300Q292-Q296 PolarHBondContact O-N 2.99Å; K293-Q296 PolarHBondContact O-N 3.49Å; Q296-A298 PolarHBondContact O-N 3.22Å; Q296-C299 PolarHBondContact O-N 2.95Å; Q296-L300 PolarHBondContact O-N 3.3Å
297A89.6Confident82Confident46 Ų46105 Ų10538%0.3852%0.52SS..Hα-helixtrans-61.4-43.7175.800000111.6K293 L294 C299 L300 I301K293-A297 WeakPolarHBondContact O-CB 3.23Å; K293-A297 PolarHBondContact O-N 3.37Å; L294-A297 PolarHBondContact O-N 2.9Å; A297-C299 PolarHBondContact O-N 3.29Å; A297-L300 PolarHBondContact O-N 2.99Å; A297-I301 WeakPolarHBondContact O-CG1 3.46Å; A297-I301 PolarHBondContact O-N 3.28Å
298A89.1Confident83.9Confident40 Ų40104 Ų10433%0.33151%0.514SS..Hα-helixtrans-61.2-43.4175.100000111.8L294 H295 Q296 L300 I301 Q302L294-A298 WeakPolarHBondContact O-CB 2.95Å; L294-A298 PolarHBondContact O-N 2.58Å; H295-A298 PolarHBondContact O-N 2.96Å; Q296-A298 PolarHBondContact O-N 3.22Å; A298-L300 PolarHBondContact O-N 3.2Å; A298-I301 PolarHBondContact O-N 2.87Å; A298-Q302 WeakPolarHBondContact O-CB 3.36Å; A298-Q302 WeakPolarHBondContact O-CG 3.37Å; A298-Q302 PolarHBondContact O-N 2.81Å
299C91.3Very high85.8Confident54 Ų54101.7 Ų101.737%0.36550%0.504SS..Hα-helixtrans-61.1-42.3176.6-72.10000112.2H295 Q296 A297 Q302 A303H295-C299 WeakPolarHBondContact O-CB 3.13Å; H295-C299 PolarHBondContact O-N 3.27Å; H295-C299 PolarHBondContact O-SG 3.47Å; Q296-C299 PolarHBondContact O-N 2.95Å; A297-C299 PolarHBondContact O-N 3.29Å; C299-Q302 PolarHBondContact O-N 3.1Å; C299-A303 WeakPolarHBondContact O-CB 3.38Å; C299-A303 PolarHBondContact O-N 2.91Å
300L95.3Very high87.5Confident113 Ų113103.6 Ų103.659%0.59252%0.516SS*.Hα-helixtrans-61.8-47.5175.8-89.8165.4000112.1Q296 A297 A298 Q302 A303 Y304Q296-L300 PolarHBondContact O-N 3.3Å; A297-L300 PolarHBondContact O-N 2.99Å; A298-L300 PolarHBondContact O-N 3.2Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 2.9Å; L300-A303 PolarHBondContact O-N 2.9Å; L300-Y304 PolarHBondContact O-N 3.46Å
301I93.1Very high88.9Confident122 Ų122104 Ų10463%0.62651%0.511SS*.Hα-helixtrans-60.8-45.1177.3-67166.7000110.2A297 A298 Y304 W305A297-I301 WeakPolarHBondContact O-CG1 3.46Å; A297-I301 PolarHBondContact O-N 3.28Å; A298-I301 PolarHBondContact O-N 2.87Å; I301-Y304 PolarHBondContact O-N 3.49Å; I301-W305 WeakPolarHBondContact O-CB 3.45Å; I301-W305 PolarHBondContact O-N 3.05Å
302Q91.8Very high90.2Very high104 Ų104103.8 Ų103.849%0.48651%0.509SS..Hα-helixtrans-63.4-41.7178.2-73.3175.34.800112.2A298 C299 L300 W305 K306A298-Q302 WeakPolarHBondContact O-CB 3.36Å; A298-Q302 WeakPolarHBondContact O-CG 3.37Å; A298-Q302 PolarHBondContact O-N 2.81Å; C299-Q302 PolarHBondContact O-N 3.1Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 2.9Å; Q302-W305 PolarHBondContact O-N 2.96Å; Q302-K306 WeakPolarHBondContact O-CB 3.28Å; Q302-K306 VanDerWaalsContact O-CG 3.25Å; Q302-K306 WeakPolarHBondContact O-CG 3.43Å; Q302-K306 PolarHBondContact O-N 3.42Å
303A92.9Very high90.9Very high60 Ų60105.8 Ų105.850%0.49651%0.511SS..Hα-helixtrans-62.4-45.6176.500000111.4C299 L300 W305 K306 G307C299-A303 WeakPolarHBondContact O-CB 3.38Å; C299-A303 PolarHBondContact O-N 2.91Å; L300-A303 PolarHBondContact O-N 2.9Å; A303-W305 PolarHBondContact O-N 3.17Å; A303-K306 PolarHBondContact O-N 2.97Å; A303-G307 PolarHBondContact O-N 3.36Å
304Y94.7Very high91.6Very high173 Ų173103.8 Ų103.868%0.67851%0.506SS*.Hα-helixtrans-60.7-44.5175.4-100.9-93.1000112.3L300 I301 G307 F308L300-Y304 PolarHBondContact O-N 3.46Å; I301-Y304 PolarHBondContact O-N 3.49Å; Y304-G307 PolarHBondContact O-N 3.27Å; Y304-F308 WeakPolarHBondContact O-CB 3.43Å; Y304-F308 PolarHBondContact O-N 3.19Å
305W93.3Very high92Very high151 Ų151106.6 Ų106.657%0.57251%0.513SS*.Hα-helixtrans-64.9-47.1178.1177.9-111.7000112.5I301 Q302 A303 G307 F308 Q309I301-W305 WeakPolarHBondContact O-CB 3.45Å; I301-W305 PolarHBondContact O-N 3.05Å; Q302-W305 PolarHBondContact O-N 2.96Å; A303-W305 PolarHBondContact O-N 3.17Å; W305-G307 VanDerWaalsContact C-N 3.28Å; W305-G307 PolarHBondContact O-N 3.21Å; W305-F308 AromaticContact CE3-CD1 3.91Å; W305-F308 HydrophobicContact CE3-CD1 3.91Å; W305-F308 HydrophobicContact CH2-CD1 4.35Å; W305-F308 HydrophobicContact CH2-CE1 4.35Å; W305-F308 AromaticContact CZ3-CD1 3.67Å; W305-F308 HydrophobicContact CZ3-CD1 3.67Å; W305-F308 AromaticContact CZ3-CE1 3.89Å; W305-F308 HydrophobicContact CZ3-CE1 3.89Å; W305-F308 PolarHBondContact O-N 3.28Å; W305-Q309 WeakPolarHBondContact O-CB 3.36Å; W305-Q309 PolarHBondContact O-N 2.71Å
306K93.8Very high92.5Very high130 Ų130107.3 Ų107.357%0.56552%0.515SS*.Hα-helixtrans-57.6-42.6174.8-74.4173.2-179.1176.10111Q302 A303 Q309 T310Q302-K306 WeakPolarHBondContact O-CB 3.28Å; Q302-K306 VanDerWaalsContact O-CG 3.25Å; Q302-K306 WeakPolarHBondContact O-CG 3.43Å; Q302-K306 PolarHBondContact O-N 3.42Å; A303-K306 PolarHBondContact O-N 2.97Å; K306-Q309 PolarHBondContact O-N 3.39Å; K306-T310 WeakPolarHBondContact O-CB 3.29Å; K306-T310 PolarHBondContact O-N 3.48Å; K306-T310 PolarHBondContact O-OG1 3.48Å
307G95.3Very high92.5Very high19 Ų19105.7 Ų105.720%0.19651%0.51CS..Hα-helixtrans-62.5-46.3174.500000112.9A303 Y304 W305 T310 R311A303-G307 PolarHBondContact O-N 3.36Å; Y304-G307 PolarHBondContact O-N 3.27Å; W305-G307 VanDerWaalsContact C-N 3.28Å; W305-G307 PolarHBondContact O-N 3.21Å; G307-T310 PolarHBondContact O-N 3.28Å; G307-R311 VanDerWaalsContact C-CZ 3.47Å; G307-R311 WeakPolarHBondContact O-CG 3.48Å; G307-R311 PolarHBondContact O-N 3.3Å; G307-R311 PolarHBondContact O-NE 3.06Å
308F95.3Very high92.6Very high99 Ų99106.9 Ų106.943%0.43451%0.514SS..Hα-helixtrans-60.5-45.6175.9171.9-100.7000112Y304 W305 T310 R311 K312Y304-F308 WeakPolarHBondContact O-CB 3.43Å; Y304-F308 PolarHBondContact O-N 3.19Å; W305-F308 AromaticContact CE3-CD1 3.91Å; W305-F308 HydrophobicContact CE3-CD1 3.91Å; W305-F308 HydrophobicContact CH2-CD1 4.35Å; W305-F308 HydrophobicContact CH2-CE1 4.35Å; W305-F308 AromaticContact CZ3-CD1 3.67Å; W305-F308 HydrophobicContact CZ3-CD1 3.67Å; W305-F308 AromaticContact CZ3-CE1 3.89Å; W305-F308 HydrophobicContact CZ3-CE1 3.89Å; W305-F308 PolarHBondContact O-N 3.28Å; F308-T310 VanDerWaalsContact C-N 3.32Å; F308-T310 PolarHBondContact O-N 2.89Å; F308-R311 PolarHBondContact O-N 3.02Å; F308-K312 HydrophobicContact CE1-CD 4.28Å; F308-K312 HydrophobicContact CZ-CD 4.37Å; F308-K312 WeakPolarHBondContact O-CB 3.35Å; F308-K312 PolarHBondContact O-N 3.24Å
309Q95.4Very high92.6Very high79 Ų79109 Ų10937%0.36953%0.526SS..Hα-helixtrans-61.9-41.9179.6-162179.922.200111.3W305 K306 K312 R313W305-Q309 WeakPolarHBondContact O-CB 3.36Å; W305-Q309 PolarHBondContact O-N 2.71Å; K306-Q309 PolarHBondContact O-N 3.39Å; Q309-K312 PolarHBondContact O-N 3.19Å; Q309-R313 WeakPolarHBondContact O-CG 3.49Å; Q309-R313 PolarHBondContact O-N 3.22Å
310T92.8Very high92.6Very high79 Ų79109.4 Ų109.449%0.48553%0.533SS..Hα-helixtrans-64.4-47.9176.4-55.70000111.5K306 G307 F308 K312 R313 L314K306-T310 WeakPolarHBondContact O-CB 3.29Å; K306-T310 PolarHBondContact O-N 3.48Å; K306-T310 PolarHBondContact O-OG1 3.48Å; G307-T310 PolarHBondContact O-N 3.28Å; F308-T310 VanDerWaalsContact C-N 3.32Å; F308-T310 PolarHBondContact O-N 2.89Å; T310-K312 VanDerWaalsContact C-N 3.29Å; T310-K312 PolarHBondContact O-N 3.03Å; T310-R313 PolarHBondContact O-N 2.92Å; T310-R313 VanDerWaalsContact O-N 3.11Å; T310-L314 HydrophobicContact CG2-CD1 4.22Å; T310-L314 PolarHBondContact O-N 3.39Å
311R93.4Very high92.5Very high139 Ų139107.5 Ų107.553%0.52553%0.526SS..Hα-helixtrans-59.3-38.8175.4-73.2-177.4-73.4-96.54.2112.3G307 F308 L314 K315G307-R311 VanDerWaalsContact C-CZ 3.47Å; G307-R311 WeakPolarHBondContact O-CG 3.48Å; G307-R311 PolarHBondContact O-N 3.3Å; G307-R311 PolarHBondContact O-NE 3.06Å; F308-R311 PolarHBondContact O-N 3.02Å; R311-L314 PolarHBondContact O-N 2.8Å; R311-K315 WeakPolarHBondContact O-CG 3.41Å; R311-K315 PolarHBondContact O-N 3.36Å
312K92.8Very high92.5Very high120 Ų120105.2 Ų105.252%0.52252%0.515SS..Hα-helixtrans-65.5-37.7175.7-170.7176.7-176.8176.80112.2F308 Q309 T310F308-K312 HydrophobicContact CE1-CD 4.28Å; F308-K312 HydrophobicContact CZ-CD 4.37Å; F308-K312 WeakPolarHBondContact O-CB 3.35Å; F308-K312 PolarHBondContact O-N 3.24Å; Q309-K312 PolarHBondContact O-N 3.19Å; T310-K312 VanDerWaalsContact C-N 3.29Å; T310-K312 PolarHBondContact O-N 3.03Å
313R89.6Confident92.6Very high170 Ų170103.1 Ų103.164%0.64252%0.515SS*.Hα-helixtrans-67.8-45.6173.6-70.9177.7-176.4-172.82.7111.3Q309 T310 K315 K316 L317Q309-R313 WeakPolarHBondContact O-CG 3.49Å; Q309-R313 PolarHBondContact O-N 3.22Å; T310-R313 PolarHBondContact O-N 2.92Å; T310-R313 VanDerWaalsContact O-N 3.11Å; R313-K315 VanDerWaalsContact C-N 3.33Å; R313-K315 PolarHBondContact O-N 3.43Å; R313-K316 WeakPolarHBondContact O-CB 3.49Å; R313-K316 PolarHBondContact O-N 3.35Å; R313-L317 PolarHBondContact O-N 2.8Å
314L92.6Very high92.6Very high100 Ų100106.2 Ų106.252%0.52452%0.522SS..Hα-helixtrans-59.1-40.9176.4-85.5162.8000112.8T310 R311 K316 L317 P318T310-L314 HydrophobicContact CG2-CD1 4.22Å; T310-L314 PolarHBondContact O-N 3.39Å; R311-L314 PolarHBondContact O-N 2.8Å; L314-K316 PolarHBondContact O-N 3.04Å; L314-K316 VanDerWaalsContact O-N 3.14Å; L314-L317 HydrophobicContact CD2-CD1 3.86Å; L314-L317 WeakPolarHBondContact O-CB 3.42Å; L314-L317 PolarHBondContact O-N 3.4Å; L314-P318 WeakPolarHBondContact O-CD 3.43Å
315K91.8Very high92.6Very high177 Ų177102.2 Ų102.277%0.7751%0.51SS*.Hα-helixtrans-60.2-23.6174.3-78.4-172.8176.8-172.70113.8R311 R313R311-K315 WeakPolarHBondContact O-CG 3.41Å; R311-K315 PolarHBondContact O-N 3.36Å; R313-K315 VanDerWaalsContact C-N 3.33Å; R313-K315 PolarHBondContact O-N 3.43Å
316K89.5Confident92.7Very high145 Ų145103.5 Ų103.563%0.6352%0.515SS*.Hα-helixtrans-86.4-23.1178.2-68.2-175.7176.2-170.20113.7R313 L314 S319 A320R313-K316 WeakPolarHBondContact O-CB 3.49Å; R313-K316 PolarHBondContact O-N 3.35Å; L314-K316 PolarHBondContact O-N 3.04Å; L314-K316 VanDerWaalsContact O-N 3.14Å; K316-S319 WeakPolarHBondContact O-CB 3.17Å; K316-S319 PolarHBondContact O-N 3.14Å; K316-A320 PolarHBondContact O-N 3.26Å
317L89.6Confident92.7Very high99 Ų99101.1 Ų101.152%0.51851%0.514SS..Hα-helixtrans-57.5-45.5-178.9-92.5157.1000113.5R313 L314 S319 A320 V321R313-L317 PolarHBondContact O-N 2.8Å; L314-L317 HydrophobicContact CD2-CD1 3.86Å; L314-L317 WeakPolarHBondContact O-CB 3.42Å; L314-L317 PolarHBondContact O-N 3.4Å; L317-S319 PolarHBondContact O-N 3.33Å; L317-A320 PolarHBondContact O-N 3.43Å; L317-A320 VanDerWaalsContact O-N 3.1Å; L317-V321 WeakPolarHBondContact O-CG2 3.19Å; L317-V321 PolarHBondContact O-N 2.99Å
318P92.3Very high92.8Very high71 Ų71106 Ų10646%0.46153%0.53SS..Hα-helixtrans-56.3-36.7177-28.134.7000113.6L314 V321 I322L314-P318 WeakPolarHBondContact O-CD 3.43Å; P318-V321 PolarHBondContact O-N 2.87Å; P318-I322 WeakPolarHBondContact O-CB 3.3Å; P318-I322 WeakPolarHBondContact O-CD1 3.3Å; P318-I322 WeakPolarHBondContact O-CG1 3.25Å; P318-I322 PolarHBondContact O-N 3.44Å
319S89Confident92.9Very high86 Ų86109.2 Ų109.260%0.60154%0.54SS*.Hα-helixtrans-64.5-41.8178.2-177.30000112.1K316 L317 I322 A323K316-S319 WeakPolarHBondContact O-CB 3.17Å; K316-S319 PolarHBondContact O-N 3.14Å; L317-S319 PolarHBondContact O-N 3.33Å; S319-I322 PolarHBondContact O-N 2.98Å; S319-A323 WeakPolarHBondContact O-CB 3.48Å; S319-A323 PolarHBondContact O-N 3.48Å
320A89.8Confident92.9Very high61 Ų61108.3 Ų108.350%0.50454%0.542SS..Hα-helixtrans-65.1-43175.900000111.7K316 L317 A323 L324K316-A320 PolarHBondContact O-N 3.26Å; L317-A320 PolarHBondContact O-N 3.43Å; L317-A320 VanDerWaalsContact O-N 3.1Å; A320-A323 PolarHBondContact O-N 3.26Å; A320-L324 PolarHBondContact O-N 2.92Å
321V93.3Very high93Very high74 Ų74111.6 Ų111.645%0.44855%0.549SS..Hα-helixtrans-62.5-45.2176.3175.40000111L317 P318 A323 L324 Q325L317-V321 WeakPolarHBondContact O-CG2 3.19Å; L317-V321 PolarHBondContact O-N 2.99Å; P318-V321 PolarHBondContact O-N 2.87Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 3.46Å; V321-L324 PolarHBondContact O-N 3.31Å; V321-Q325 HydrophobicContact CG1-CG 4.31Å; V321-Q325 WeakPolarHBondContact O-CB 3.48Å; V321-Q325 VanDerWaalsContact O-CG 3.3Å; V321-Q325 WeakPolarHBondContact O-CG 3.32Å; V321-Q325 PolarHBondContact O-N 2.98Å
322I94.1Very high93.1Very high74 Ų74113.2 Ų113.238%0.37956%0.555SS.*Hα-helixtrans-61.8-41.1176.8-70.3164000111P318 S319 Q325 R326P318-I322 WeakPolarHBondContact O-CB 3.3Å; P318-I322 WeakPolarHBondContact O-CD1 3.3Å; P318-I322 WeakPolarHBondContact O-CG1 3.25Å; P318-I322 PolarHBondContact O-N 3.44Å; S319-I322 PolarHBondContact O-N 2.98Å; I322-Q325 PolarHBondContact O-N 3.4Å; I322-R326 HydrophobicContact CG2-CG 4.32Å; I322-R326 WeakPolarHBondContact O-CB 3.46Å; I322-R326 VanDerWaalsContact O-CG 3.25Å; I322-R326 WeakPolarHBondContact O-CG 3.25Å; I322-R326 PolarHBondContact O-N 3.36Å
323A93.9Very high93.2Very high59 Ų59111.3 Ų111.349%0.48855%0.554SS.*Hα-helixtrans-62.1-43.5176.800000111.7S319 A320 V321 R326 S327S319-A323 WeakPolarHBondContact O-CB 3.48Å; S319-A323 PolarHBondContact O-N 3.48Å; A320-A323 PolarHBondContact O-N 3.26Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 3.46Å; A323-R326 PolarHBondContact O-N 3.49Å; A323-S327 WeakPolarHBondContact O-CB 3.45Å; A323-S327 PolarHBondContact O-N 3.1Å
324L93.3Very high93.5Very high125 Ų125110 Ų11065%0.65455%0.553SS**Hα-helixtrans-65-45.9176.7-170.7146.2000111.6A320 V321 R326 S327 F328A320-L324 PolarHBondContact O-N 2.92Å; V321-L324 PolarHBondContact O-N 3.31Å; L324-R326 VanDerWaalsContact C-N 3.34Å; L324-R326 PolarHBondContact O-N 3.25Å; L324-S327 PolarHBondContact O-N 2.91Å; L324-F328 WeakPolarHBondContact O-CB 3.35Å; L324-F328 PolarHBondContact O-N 3.5Å
325Q93.9Very high93.6Very high89 Ų89110.8 Ų110.842%0.41656%0.556SS.*Hα-helixtrans-60-42.2175.6-73.2175.7-12.200112V321 I322 F328 R329V321-Q325 HydrophobicContact CG1-CG 4.31Å; V321-Q325 WeakPolarHBondContact O-CB 3.48Å; V321-Q325 VanDerWaalsContact O-CG 3.3Å; V321-Q325 WeakPolarHBondContact O-CG 3.32Å; V321-Q325 PolarHBondContact O-N 2.98Å; I322-Q325 PolarHBondContact O-N 3.4Å; Q325-F328 PolarHBondContact O-N 3.47Å; Q325-R329 WeakPolarHBondContact O-CB 3.47Å; Q325-R329 VanDerWaalsContact O-CG 3.26Å; Q325-R329 WeakPolarHBondContact O-CG 3.46Å; Q325-R329 PolarHBondContact O-N 3.44Å
326R95Very high93.9Very high179 Ų179107.4 Ų107.468%0.67555%0.545SS*.Hα-helixtrans-62.9-45.3175.3-76.8175.6-178.2178.91.7111.8I322 A323 L324 R329 S330I322-R326 HydrophobicContact CG2-CG 4.32Å; I322-R326 WeakPolarHBondContact O-CB 3.46Å; I322-R326 VanDerWaalsContact O-CG 3.25Å; I322-R326 WeakPolarHBondContact O-CG 3.25Å; I322-R326 PolarHBondContact O-N 3.36Å; A323-R326 PolarHBondContact O-N 3.49Å; L324-R326 VanDerWaalsContact C-N 3.34Å; L324-R326 PolarHBondContact O-N 3.25Å; R326-R329 PolarHBondContact O-N 3.27Å; R326-S330 WeakPolarHBondContact O-CB 3.46Å; R326-S330 PolarHBondContact O-N 2.9Å
327S95.3Very high94.2Very high79 Ų79105.7 Ų105.755%0.55254%0.542SS*.Hα-helixtrans-60.8-46.5176.9-178.30000111.5A323 L324 S330 K331A323-S327 WeakPolarHBondContact O-CB 3.45Å; A323-S327 PolarHBondContact O-N 3.1Å; L324-S327 PolarHBondContact O-N 2.91Å; S327-S330 PolarHBondContact O-N 3.09Å; S327-K331 WeakPolarHBondContact O-CB 3.17Å; S327-K331 PolarHBondContact O-N 2.94Å
328F96.3Very high94.5Very high123 Ų123104.6 Ų104.654%0.53954%0.535SS..Hα-helixtrans-60.1-48.7177178.4-96.9000112.1L324 Q325 S330 K331 R332L324-F328 WeakPolarHBondContact O-CB 3.35Å; L324-F328 PolarHBondContact O-N 3.5Å; Q325-F328 PolarHBondContact O-N 3.47Å; F328-S330 VanDerWaalsContact C-N 3.34Å; F328-S330 PolarHBondContact O-N 3.27Å; F328-K331 PolarHBondContact O-N 3.21Å; F328-R332 WeakPolarHBondContact O-CB 3.34Å; F328-R332 PolarHBondContact O-N 3.39Å
329R97Very high94.6Very high166 Ų166104.8 Ų104.863%0.62653%0.531SS*.Hα-helixtrans-58.5-46.3176.7-72.7174.3-175.2179.32.8111.1Q325 R326 K331 R332 T333Q325-R329 WeakPolarHBondContact O-CB 3.47Å; Q325-R329 VanDerWaalsContact O-CG 3.26Å; Q325-R329 WeakPolarHBondContact O-CG 3.46Å; Q325-R329 PolarHBondContact O-N 3.44Å; R326-R329 PolarHBondContact O-N 3.27Å; R329-K331 PolarHBondContact O-N 3.2Å; R329-R332 PolarHBondContact O-N 2.88Å; R329-T333 PolarHBondContact O-N 2.87Å; R329-T333 PolarHBondContact O-OG1 3.37Å
330S95.3Very high95Very high60 Ų60103.8 Ų103.842%0.4252%0.519SS..Hα-helixtrans-60.5-45.1177.1-173.40000112.4R326 S327 F328 R332 T333 K334R326-S330 WeakPolarHBondContact O-CB 3.46Å; R326-S330 PolarHBondContact O-N 2.9Å; S327-S330 PolarHBondContact O-N 3.09Å; F328-S330 VanDerWaalsContact C-N 3.34Å; F328-S330 PolarHBondContact O-N 3.27Å; S330-R332 VanDerWaalsContact C-N 3.33Å; S330-R332 PolarHBondContact O-N 3.3Å; S330-T333 PolarHBondContact O-N 3.41Å; S330-K334 WeakPolarHBondContact O-CG 3.34Å; S330-K334 PolarHBondContact O-N 3.48Å
331K95.1Very high95.3Very high147 Ų147106.4 Ų106.464%0.63952%0.516SS*.Hα-helixtrans-60.5-43.7176.9-171.8178.1-177.8-178.60111.2S327 F328 R329 K334 M335S327-K331 WeakPolarHBondContact O-CB 3.17Å; S327-K331 PolarHBondContact O-N 2.94Å; F328-K331 PolarHBondContact O-N 3.21Å; R329-K331 PolarHBondContact O-N 3.2Å; K331-K334 PolarHBondContact O-N 2.89Å; K331-M335 WeakPolarHBondContact O-CB 3.36Å; K331-M335 PolarHBondContact O-N 3.35Å
332R95.1Very high95.3Very high173 Ų173107.3 Ų107.365%0.65352%0.515SS*.Hα-helixtrans-62.5-44.5176.9-173.5171.8177.9148.3-1.4111.8F328 R329 S330 M335 L336F328-R332 WeakPolarHBondContact O-CB 3.34Å; F328-R332 PolarHBondContact O-N 3.39Å; R329-R332 PolarHBondContact O-N 2.88Å; S330-R332 VanDerWaalsContact C-N 3.33Å; S330-R332 PolarHBondContact O-N 3.3Å; R332-M335 PolarHBondContact O-N 2.84Å; R332-L336 PolarHBondContact O-N 3.38Å
333T96.3Very high95.4Very high81 Ų81109.2 Ų109.250%0.49752%0.521SS..Hα-helixtrans-62.3-44.5176.2-53.40000111.7R329 S330 M335 L336 L337R329-T333 PolarHBondContact O-N 2.87Å; R329-T333 PolarHBondContact O-OG1 3.37Å; S330-T333 PolarHBondContact O-N 3.41Å; T333-M335 PolarHBondContact O-N 3.33Å; T333-L336 PolarHBondContact O-N 2.9Å; T333-L337 HydrophobicContact CG2-CD1 4.26Å; T333-L337 WeakPolarHBondContact O-CG 3.37Å; T333-L337 PolarHBondContact O-N 3.18Å
334K95Very high95.5Very high142 Ų142112.8 Ų112.862%0.61753%0.527SS*.Hα-helixtrans-61.5-42.8177.1-74.2-178.4-179.9-176.40112.4S330 K331 L336 L337 E338S330-K334 WeakPolarHBondContact O-CG 3.34Å; S330-K334 PolarHBondContact O-N 3.48Å; K331-K334 PolarHBondContact O-N 2.89Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 2.83Å; K334-L337 PolarHBondContact O-N 2.89Å; K334-E338 PolarHBondContact O-N 3.44Å
335M95.4Very high95.6Very high117 Ų117110.2 Ų110.258%0.57651%0.512SS*.Hα-helixtrans-61.1-43.6176.4-177.9-175.1-74.100111.4K331 R332 T333 E338 I339K331-M335 WeakPolarHBondContact O-CB 3.36Å; K331-M335 PolarHBondContact O-N 3.35Å; R332-M335 PolarHBondContact O-N 2.84Å; T333-M335 PolarHBondContact O-N 3.33Å; M335-E338 PolarHBondContact O-N 3.38Å; M335-I339 HydrophobicContact CG-CD1 4.21Å; M335-I339 WeakPolarHBondContact O-CG1 3.42Å; M335-I339 PolarHBondContact O-N 3.01Å
336L96.6Very high95.7Very high106 Ų106111.7 Ų111.756%0.55552%0.519SS*.Hα-helixtrans-62.5-43.7176.9-164.987.3000111.8R332 T333 K334 E338 I339 N340R332-L336 PolarHBondContact O-N 3.38Å; T333-L336 PolarHBondContact O-N 2.9Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 2.83Å; L336-E338 VanDerWaalsContact C-N 3.32Å; L336-E338 PolarHBondContact O-N 2.96Å; L336-I339 PolarHBondContact O-N 3.46Å; L336-N340 PolarHBondContact O-N 2.92Å
337L96.8Very high95.7Very high108 Ų108107.3 Ų107.357%0.56551%0.509SS*.Hα-helixtrans-61.6-41.1176.6-73.7171.2000111.8T333 K334 N340 R341T333-L337 HydrophobicContact CG2-CD1 4.26Å; T333-L337 WeakPolarHBondContact O-CG 3.37Å; T333-L337 PolarHBondContact O-N 3.18Å; K334-L337 PolarHBondContact O-N 2.89Å; L337-N340 PolarHBondContact O-N 3.37Å; L337-R341 WeakPolarHBondContact O-CB 3.46Å; L337-R341 PolarHBondContact O-N 2.87Å
338E94.9Very high95.8Very high77 Ų77108.3 Ų108.336%0.3651%0.507SS..Hα-helixtrans-65.7-41.6178.2-170.463.2-167.900111.7K334 M335 L336 N340 R341 Q342K334-E338 PolarHBondContact O-N 3.44Å; M335-E338 PolarHBondContact O-N 3.38Å; L336-E338 VanDerWaalsContact C-N 3.32Å; L336-E338 PolarHBondContact O-N 2.96Å; E338-N340 VanDerWaalsContact C-N 3.34Å; E338-N340 PolarHBondContact O-N 3.37Å; E338-R341 PolarHBondContact O-N 3.38Å; E338-R341 IonicContact OE1-CZ 2.64Å; E338-R341 IonicContact OE1-NE 2.75Å; E338-R341 IonicContact OE1-NH2 3.69Å; E338-R341 PolarHBondContact OE1-NH2 3.45Å; E338-R341 IonicContact OE2-CZ 3.3Å; E338-R341 IonicContact OE2-NE 3.72Å; E338-R341 PolarHBondContact OE2-NE 3.46Å; E338-R341 VanDerWaalsContact OE2-NE 3.14Å; E338-R341 IonicContact OE2-NH2 3.79Å; E338-Q342 VanDerWaalsContact O-CG 3.31Å; E338-Q342 WeakPolarHBondContact O-CG 3.46Å; E338-Q342 PolarHBondContact O-N 2.93Å
339I96.3Very high95.7Very high74 Ų74108.4 Ų108.438%0.37951%0.507SS..Hα-helixtrans-61.4-44174.2-68.8166.8000110.7M335 L336 Q342 K343M335-I339 HydrophobicContact CG-CD1 4.21Å; M335-I339 WeakPolarHBondContact O-CG1 3.42Å; M335-I339 PolarHBondContact O-N 3.01Å; L336-I339 PolarHBondContact O-N 3.46Å; I339-Q342 PolarHBondContact O-N 3.47Å; I339-K343 HydrophobicContact CG2-CD 4.43Å; I339-K343 WeakPolarHBondContact O-CG 3.45Å; I339-K343 PolarHBondContact O-N 2.78Å
340N95.8Very high95.7Very high66 Ų66104.9 Ų104.935%0.35350%0.501SS..Hα-helixtrans-65.1-42.7177.7-75.3-7.9000111.7L336 L337 E338 Q342 K343 E344L336-N340 PolarHBondContact O-N 2.92Å; L337-N340 PolarHBondContact O-N 3.37Å; E338-N340 VanDerWaalsContact C-N 3.34Å; E338-N340 PolarHBondContact O-N 3.37Å; N340-Q342 VanDerWaalsContact C-N 3.31Å; N340-Q342 PolarHBondContact O-N 3.03Å; N340-K343 WeakPolarHBondContact O-CB 3.39Å; N340-K343 PolarHBondContact O-N 3.24Å; N340-E344 WeakPolarHBondContact O-CG 3.33Å; N340-E344 PolarHBondContact O-N 2.98Å
341R95.9Very high95.7Very high116 Ų116109.9 Ų109.944%0.43851%0.51SS..Hα-helixtrans-58.8-43.5175.1-172.7-179.276.798.4-2.8111.5L337 E338 E344 E345L337-R341 WeakPolarHBondContact O-CB 3.46Å; L337-R341 PolarHBondContact O-N 2.87Å; E338-R341 PolarHBondContact O-N 3.38Å; E338-R341 IonicContact OE1-CZ 2.64Å; E338-R341 IonicContact OE1-NE 2.75Å; E338-R341 IonicContact OE1-NH2 3.69Å; E338-R341 PolarHBondContact OE1-NH2 3.45Å; E338-R341 IonicContact OE2-CZ 3.3Å; E338-R341 IonicContact OE2-NE 3.72Å; E338-R341 PolarHBondContact OE2-NE 3.46Å; E338-R341 VanDerWaalsContact OE2-NE 3.14Å; E338-R341 IonicContact OE2-NH2 3.79Å; R341-E344 PolarHBondContact O-N 3.23Å; R341-E345 IonicContact CZ-OE1 2.75Å; R341-E345 IonicContact NE-OE1 3.19Å; R341-E345 IonicContact NH1-OE1 3.38Å; R341-E345 PolarHBondContact NH1-OE1 3.24Å; R341-E345 WeakPolarHBondContact O-CB 3.41Å; R341-E345 WeakPolarHBondContact O-CG 3.19Å; R341-E345 PolarHBondContact O-N 3.45Å
342Q94.9Very high95.7Very high92 Ų92106.3 Ų106.343%0.4350%0.498SS..Hα-helixtrans-61.5-44.8176.5-74.4175.23.600111.6E338 I339 N340 E345 E346E338-Q342 VanDerWaalsContact O-CG 3.31Å; E338-Q342 WeakPolarHBondContact O-CG 3.46Å; E338-Q342 PolarHBondContact O-N 2.93Å; I339-Q342 PolarHBondContact O-N 3.47Å; N340-Q342 VanDerWaalsContact C-N 3.31Å; N340-Q342 PolarHBondContact O-N 3.03Å; Q342-E345 PolarHBondContact O-N 3.33Å; Q342-E346 WeakPolarHBondContact O-CG 3.34Å; Q342-E346 PolarHBondContact O-N 3.32Å
343K95.9Very high95.7Very high115 Ų115103.4 Ų103.450%0.549%0.492SS..Hα-helixtrans-60.7-45.6175-71.1176.2178.8-177.40112.1I339 N340 E345 E346 D347I339-K343 HydrophobicContact CG2-CD 4.43Å; I339-K343 WeakPolarHBondContact O-CG 3.45Å; I339-K343 PolarHBondContact O-N 2.78Å; N340-K343 WeakPolarHBondContact O-CB 3.39Å; N340-K343 PolarHBondContact O-N 3.24Å; K343-E345 VanDerWaalsContact C-N 3.31Å; K343-E345 PolarHBondContact O-N 3.43Å; K343-E346 PolarHBondContact O-N 3.18Å; K343-D347 WeakPolarHBondContact O-CB 3.22Å; K343-D347 PolarHBondContact O-N 3.39Å
344E95.5Very high95.7Very high133 Ų133103 Ų10362%0.62149%0.486SS*.Hα-helixtrans-61.5-39.7176.9-72.5172.6-173.300112N340 R341 L348N340-E344 WeakPolarHBondContact O-CG 3.33Å; N340-E344 PolarHBondContact O-N 2.98Å; R341-E344 PolarHBondContact O-N 3.23Å; E344-L348 WeakPolarHBondContact O-CB 3.42Å; E344-L348 PolarHBondContact O-N 3.29Å
345E95.3Very high95.7Very high71 Ų71102 Ų10233%0.33248%0.484SS..Hα-helixtrans-66.7-40.1175.2-76178-169.600112.5R341 Q342 K343 L348 K349R341-E345 IonicContact CZ-OE1 2.75Å; R341-E345 IonicContact NE-OE1 3.19Å; R341-E345 IonicContact NH1-OE1 3.38Å; R341-E345 PolarHBondContact NH1-OE1 3.24Å; R341-E345 WeakPolarHBondContact O-CB 3.41Å; R341-E345 WeakPolarHBondContact O-CG 3.19Å; R341-E345 PolarHBondContact O-N 3.45Å; Q342-E345 PolarHBondContact O-N 3.33Å; K343-E345 VanDerWaalsContact C-N 3.31Å; K343-E345 PolarHBondContact O-N 3.43Å; E345-L348 PolarHBondContact O-N 3.13Å; E345-K349 WeakPolarHBondContact O-CB 3.45Å; E345-K349 VanDerWaalsContact O-CG 3.25Å; E345-K349 WeakPolarHBondContact O-CG 3.43Å; E345-K349 PolarHBondContact O-N 3.04Å
346E95.6Very high95.7Very high121 Ų121104.6 Ų104.657%0.56549%0.487SS*.Hα-helixtrans-63.5-46.6174.1-74.5175.1177.100111.4Q342 K343 L348 K349 L350Q342-E346 WeakPolarHBondContact O-CG 3.34Å; Q342-E346 PolarHBondContact O-N 3.32Å; K343-E346 PolarHBondContact O-N 3.18Å; E346-L348 VanDerWaalsContact C-N 3.32Å; E346-L348 PolarHBondContact O-N 3.28Å; E346-K349 WeakPolarHBondContact O-CB 3.43Å; E346-K349 PolarHBondContact O-N 3.37Å; E346-L350 PolarHBondContact O-N 3.39Å
347D95.8Very high95.5Very high87 Ų87103.9 Ų103.947%0.46548%0.481SS..Hα-helixtrans-60.1-42175.6-77-17.4000111.5K343 L350 R351K343-D347 WeakPolarHBondContact O-CB 3.22Å; K343-D347 PolarHBondContact O-N 3.39Å; D347-L350 PolarHBondContact O-N 2.85Å; D347-R351 VanDerWaalsContact O-CG 3.3Å; D347-R351 WeakPolarHBondContact O-CG 3.48Å; D347-R351 PolarHBondContact O-N 2.99Å
348L96.3Very high95.4Very high100 Ų100107 Ų10752%0.52449%0.485SS..Hα-helixtrans-64.9-43.9176.5-174.667.5000111.5E344 E345 E346 L350 R351 L352E344-L348 WeakPolarHBondContact O-CB 3.42Å; E344-L348 PolarHBondContact O-N 3.29Å; E345-L348 PolarHBondContact O-N 3.13Å; E346-L348 VanDerWaalsContact C-N 3.32Å; E346-L348 PolarHBondContact O-N 3.28Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.25Å; L348-R351 PolarHBondContact O-N 3.39Å; L348-L352 HydrophobicContact CG-CD1 4.23Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 3.37Å
349K95.3Very high95.4Very high124 Ų124106.2 Ų106.254%0.53949%0.492SS..Hα-helixtrans-58.3-45.2175.4-76166.8-173.4165.10110.8E345 E346 L352 Q353E345-K349 WeakPolarHBondContact O-CB 3.45Å; E345-K349 VanDerWaalsContact O-CG 3.25Å; E345-K349 WeakPolarHBondContact O-CG 3.43Å; E345-K349 PolarHBondContact O-N 3.04Å; E346-K349 WeakPolarHBondContact O-CB 3.43Å; E346-K349 PolarHBondContact O-N 3.37Å; K349-L352 PolarHBondContact O-N 2.99Å; K349-Q353 WeakPolarHBondContact O-CG 3.4Å; K349-Q353 PolarHBondContact O-N 3.25Å
350L96Very high95.3Very high93 Ų93107.3 Ų107.349%0.48750%0.496SS..Hα-helixtrans-61.6-46.6177.6-178.362.6000111.5E346 D347 L348 L352 Q353 L354E346-L350 PolarHBondContact O-N 3.39Å; D347-L350 PolarHBondContact O-N 2.85Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.25Å; L350-L352 PolarHBondContact O-N 2.71Å; L350-Q353 PolarHBondContact O-N 3.11Å; L350-L354 HydrophobicContact CG-CD1 4.31Å; L350-L354 WeakPolarHBondContact O-CG 3.18Å; L350-L354 PolarHBondContact O-N 3.28Å
351R95.7Very high95.2Very high164 Ų164111.6 Ų111.662%0.61951%0.508SS*.Hα-helixtrans-58.8-45.1176.5-73.1174.4-170.9-173.85112.1D347 L348 L354 Q355D347-R351 VanDerWaalsContact O-CG 3.3Å; D347-R351 WeakPolarHBondContact O-CG 3.48Å; D347-R351 PolarHBondContact O-N 2.99Å; L348-R351 PolarHBondContact O-N 3.39Å; R351-L354 PolarHBondContact O-N 3.11Å; R351-Q355 WeakPolarHBondContact O-CG 3.42Å; R351-Q355 PolarHBondContact O-N 3.03Å
352L96.1Very high95.2Very high73 Ų73111 Ų11138%0.38251%0.513SS..Hα-helixtrans-65.3-39.9177.9-72.2173.4000112.1L348 K349 L350 Q355 R356L348-L352 HydrophobicContact CG-CD1 4.23Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 3.37Å; K349-L352 PolarHBondContact O-N 2.99Å; L350-L352 PolarHBondContact O-N 2.71Å; L352-Q355 PolarHBondContact O-N 3.34Å; L352-R356 WeakPolarHBondContact O-CB 3.3Å; L352-R356 VanDerWaalsContact O-CG 3.29Å; L352-R356 WeakPolarHBondContact O-CG 3.45Å; L352-R356 PolarHBondContact O-N 3.37Å
353Q95.4Very high95.1Very high112 Ų112109.4 Ų109.452%0.52351%0.512SS..Hα-helixtrans-61.4-46.1174.3-76179.6-0.600111.2K349 L350 Q355 R356 Q357K349-Q353 WeakPolarHBondContact O-CG 3.4Å; K349-Q353 PolarHBondContact O-N 3.25Å; L350-Q353 PolarHBondContact O-N 3.11Å; Q353-Q355 PolarHBondContact O-N 2.9Å; Q353-R356 PolarHBondContact O-N 2.85Å; Q353-Q357 WeakPolarHBondContact O-CG 3.49Å; Q353-Q357 PolarHBondContact O-N 2.86Å
354L96.3Very high94.8Very high73 Ų73111.7 Ų111.738%0.38252%0.517SS..Hα-helixtrans-61.6-43.2176.3-71.7172.7000111.8L350 R351 Q357 R358L350-L354 HydrophobicContact CG-CD1 4.31Å; L350-L354 WeakPolarHBondContact O-CG 3.18Å; L350-L354 PolarHBondContact O-N 3.28Å; R351-L354 PolarHBondContact O-N 3.11Å; L354-Q357 PolarHBondContact O-N 3.25Å; L354-R358 VanDerWaalsContact O-CG 3.3Å; L354-R358 WeakPolarHBondContact O-CG 3.42Å; L354-R358 PolarHBondContact O-N 3.36Å
355Q94.9Very high94.6Very high121 Ų121111.1 Ų111.157%0.56551%0.514SS*.Hα-helixtrans-61.1-45.5174.9-77-178.6-9.300111.9R351 L352 Q353 Q357 R358 A359R351-Q355 WeakPolarHBondContact O-CG 3.42Å; R351-Q355 PolarHBondContact O-N 3.03Å; L352-Q355 PolarHBondContact O-N 3.34Å; Q353-Q355 PolarHBondContact O-N 2.9Å; Q355-Q357 VanDerWaalsContact C-N 3.35Å; Q355-Q357 PolarHBondContact O-N 3.43Å; Q355-R358 PolarHBondContact O-N 3.05Å; Q355-A359 WeakPolarHBondContact O-CB 3.11Å; Q355-A359 PolarHBondContact O-N 3.43Å
356R93.8Very high94.3Very high171 Ų171113.1 Ų113.165%0.64553%0.527SS*.Hα-helixtrans-60.7-43.6175.6-74.2174.3-177.1179.82111.6L352 Q353 A359 M360L352-R356 WeakPolarHBondContact O-CB 3.3Å; L352-R356 VanDerWaalsContact O-CG 3.29Å; L352-R356 WeakPolarHBondContact O-CG 3.45Å; L352-R356 PolarHBondContact O-N 3.37Å; Q353-R356 PolarHBondContact O-N 2.85Å; R356-A359 PolarHBondContact O-N 3.21Å; R356-M360 WeakPolarHBondContact O-CB 3.28Å; R356-M360 VanDerWaalsContact O-CG 3.3Å; R356-M360 WeakPolarHBondContact O-CG 3.36Å; R356-M360 PolarHBondContact O-N 3.14Å
357Q92.8Very high93.7Very high91 Ų91114.4 Ų114.443%0.42553%0.526SS..Hα-helixtrans-62.3-45.1176.9-75-178.14.900111.8Q353 L354 Q355 M360 R361Q353-Q357 WeakPolarHBondContact O-CG 3.49Å; Q353-Q357 PolarHBondContact O-N 2.86Å; L354-Q357 PolarHBondContact O-N 3.25Å; Q355-Q357 VanDerWaalsContact C-N 3.35Å; Q355-Q357 PolarHBondContact O-N 3.43Å; Q357-M360 HydrophobicContact CG-CE 4.25Å; Q357-M360 PolarHBondContact O-N 2.87Å; Q357-R361 WeakPolarHBondContact O-CG 3.46Å; Q357-R361 PolarHBondContact O-N 3.44Å
358R95.4Very high93.2Very high174 Ų174115.3 Ų115.366%0.65753%0.531SS*.Hα-helixtrans-60.6-47.2175.5-71.4173.7-175.4-176.31.2111.6L354 Q355 M360 R361 L362L354-R358 VanDerWaalsContact O-CG 3.3Å; L354-R358 WeakPolarHBondContact O-CG 3.42Å; L354-R358 PolarHBondContact O-N 3.36Å; Q355-R358 PolarHBondContact O-N 3.05Å; R358-M360 VanDerWaalsContact C-N 3.34Å; R358-M360 PolarHBondContact O-N 2.95Å; R358-R361 PolarHBondContact O-N 3.42Å; R358-L362 WeakPolarHBondContact O-CB 3.4Å; R358-L362 PolarHBondContact O-N 3.1Å
359A95Very high92.8Very high60 Ų60113.1 Ų113.150%0.49652%0.524SS..Hα-helixtrans-62.7-39.3177.200000112.3Q355 R356 S363Q355-A359 WeakPolarHBondContact O-CB 3.11Å; Q355-A359 PolarHBondContact O-N 3.43Å; R356-A359 PolarHBondContact O-N 3.21Å; A359-S363 VanDerWaalsContact O-CB 3.28Å; A359-S363 WeakPolarHBondContact O-CB 3.46Å; A359-S363 PolarHBondContact O-N 3.17Å
360M93.5Very high92Very high96 Ų96110.9 Ų110.947%0.47352%0.516SS..Hα-helixtrans-63.6-42.8174.2-78.7-168.9-68.600112R356 Q357 R358 R364R356-M360 WeakPolarHBondContact O-CB 3.28Å; R356-M360 VanDerWaalsContact O-CG 3.3Å; R356-M360 WeakPolarHBondContact O-CG 3.36Å; R356-M360 PolarHBondContact O-N 3.14Å; Q357-M360 HydrophobicContact CG-CE 4.25Å; Q357-M360 PolarHBondContact O-N 2.87Å; R358-M360 VanDerWaalsContact C-N 3.34Å; R358-M360 PolarHBondContact O-N 2.95Å; M360-R364 WeakPolarHBondContact O-CB 3.42Å; M360-R364 VanDerWaalsContact O-CG 3.24Å; M360-R364 WeakPolarHBondContact O-CG 3.32Å; M360-R364 PolarHBondContact O-N 3Å
361R94.6Very high91.2Very high157 Ų157109.5 Ų109.559%0.59251%0.509SS*.Hα-helixtrans-60.6-52.2175.6-72.4178.9-170.7-177.62.4110.7Q357 R358 S363 R364 E365Q357-R361 WeakPolarHBondContact O-CG 3.46Å; Q357-R361 PolarHBondContact O-N 3.44Å; R358-R361 PolarHBondContact O-N 3.42Å; R361-S363 VanDerWaalsContact C-N 3.32Å; R361-S363 PolarHBondContact O-N 2.89Å; R361-R364 WeakPolarHBondContact O-CB 3.23Å; R361-R364 PolarHBondContact O-N 3.18Å; R361-E365 WeakPolarHBondContact O-CG 3.49Å; R361-E365 PolarHBondContact O-N 3.06Å
362L95.8Very high90.5Very high104 Ų104109.4 Ų109.455%0.54552%0.515SS..Hα-helixtrans-60.9-39.6-179.9-170.6136.5000112.5R358 E365 L366R358-L362 WeakPolarHBondContact O-CB 3.4Å; R358-L362 PolarHBondContact O-N 3.1Å; L362-E365 PolarHBondContact O-N 3.42Å; L362-L366 HydrophobicContact CD2-CD1 3.6Å; L362-L366 HydrophobicContact CG-CD1 4.41Å; L362-L366 WeakPolarHBondContact O-CB 3.46Å; L362-L366 WeakPolarHBondContact O-CG 3.3Å; L362-L366 PolarHBondContact O-N 2.94Å
363S91.6Very high89.7Confident58 Ų58112.5 Ų112.541%0.40653%0.531SS..Hα-helixtrans-65.7-37.5174.31780000112.9A359 R361 R367A359-S363 VanDerWaalsContact O-CB 3.28Å; A359-S363 WeakPolarHBondContact O-CB 3.46Å; A359-S363 PolarHBondContact O-N 3.17Å; R361-S363 VanDerWaalsContact C-N 3.32Å; R361-S363 PolarHBondContact O-N 2.89Å; S363-R367 WeakPolarHBondContact O-CB 3.29Å; S363-R367 PolarHBondContact O-N 3.49Å
364R90.7Very high88.6Confident162 Ų162109.4 Ų109.461%0.61152%0.52SS*.Hα-helixtrans-67.7-43.5175.4-73.4170.7-176.8-174.60.2111.1M360 R361 R367 L368M360-R364 WeakPolarHBondContact O-CB 3.42Å; M360-R364 VanDerWaalsContact O-CG 3.24Å; M360-R364 WeakPolarHBondContact O-CG 3.32Å; M360-R364 PolarHBondContact O-N 3Å; R361-R364 WeakPolarHBondContact O-CB 3.23Å; R361-R364 PolarHBondContact O-N 3.18Å; R364-R367 PolarHBondContact O-N 3.42Å; R364-L368 WeakPolarHBondContact O-CG 3.49Å; R364-L368 PolarHBondContact O-N 3.29Å
365E92Very high87.5Confident122 Ų122112.2 Ų112.257%0.5753%0.531SS*.Hα-helixtrans-59.3-49.3175.6-73.3165.3-166.600111.4R361 L362 R367 L368 S369R361-E365 WeakPolarHBondContact O-CG 3.49Å; R361-E365 PolarHBondContact O-N 3.06Å; L362-E365 PolarHBondContact O-N 3.42Å; E365-R367 VanDerWaalsContact C-N 3.3Å; E365-R367 PolarHBondContact O-N 2.94Å; E365-L368 PolarHBondContact O-N 3.44Å; E365-S369 WeakPolarHBondContact O-CB 3.48Å; E365-S369 PolarHBondContact O-N 3.19Å
366L88.6Confident86.4Confident112 Ų112111.4 Ų111.459%0.58654%0.536SS*.Hα-helixtrans-57.5-41.8174.3-82.8159.9000112.3L362 M370L362-L366 HydrophobicContact CD2-CD1 3.6Å; L362-L366 HydrophobicContact CG-CD1 4.41Å; L362-L366 WeakPolarHBondContact O-CB 3.46Å; L362-L366 WeakPolarHBondContact O-CG 3.3Å; L362-L366 PolarHBondContact O-N 2.94Å; L366-M370 WeakPolarHBondContact O-CB 3.35Å; L366-M370 PolarHBondContact O-N 3.22Å
367R82.4Confident85.5Confident148 Ų148106 Ų10656%0.55853%0.533SS*.Hα-helixtrans-66.4-41.5178-170.5-177.2-58.5170.81.8111.8S363 R364 E365 M370 L371S363-R367 WeakPolarHBondContact O-CB 3.29Å; S363-R367 PolarHBondContact O-N 3.49Å; R364-R367 PolarHBondContact O-N 3.42Å; E365-R367 VanDerWaalsContact C-N 3.3Å; E365-R367 PolarHBondContact O-N 2.94Å; R367-M370 PolarHBondContact O-N 3.31Å; R367-L371 HydrophobicContact CG-CD1 4.31Å; R367-L371 WeakPolarHBondContact O-CB 3.44Å; R367-L371 VanDerWaalsContact O-CG 3.29Å; R367-L371 WeakPolarHBondContact O-CG 3.43Å; R367-L371 PolarHBondContact O-N 2.86Å
368L85Confident84.8Confident106 Ų106107.8 Ų107.856%0.55554%0.542SS*.Hα-helixtrans-63.3-48.2176-72.5171.1000110.8R364 E365 M370 L371 E372R364-L368 WeakPolarHBondContact O-CG 3.49Å; R364-L368 PolarHBondContact O-N 3.29Å; E365-L368 PolarHBondContact O-N 3.44Å; L368-M370 VanDerWaalsContact C-N 3.3Å; L368-M370 PolarHBondContact O-N 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.26Å; L368-L371 PolarHBondContact O-N 3.26Å; L368-E372 WeakPolarHBondContact O-CG 3.49Å; L368-E372 PolarHBondContact O-N 3.4Å
369S87.3Confident84Confident55 Ų55100.9 Ų100.939%0.38552%0.519SS..Hα-helixtrans-59.3-40.1175.7176.20000112.4E365 E372 I373E365-S369 WeakPolarHBondContact O-CB 3.48Å; E365-S369 PolarHBondContact O-N 3.19Å; S369-E372 PolarHBondContact O-N 3.3Å; S369-I373 WeakPolarHBondContact O-CD1 3.45Å; S369-I373 WeakPolarHBondContact O-CG1 3.45Å; S369-I373 PolarHBondContact O-N 3.36Å
370M79.9Confident83.2Confident76 Ų76103 Ų10337%0.37452%0.518SS..Hα-helixtrans-63.1-43.8173.6-173.3-167.178.500111.6L366 R367 L368 E372 I373 V374L366-M370 WeakPolarHBondContact O-CB 3.35Å; L366-M370 PolarHBondContact O-N 3.22Å; R367-M370 PolarHBondContact O-N 3.31Å; L368-M370 VanDerWaalsContact C-N 3.3Å; L368-M370 PolarHBondContact O-N 3.24Å; M370-E372 VanDerWaalsContact C-N 3.29Å; M370-E372 PolarHBondContact O-N 2.93Å; M370-I373 PolarHBondContact O-N 2.86Å; M370-V374 HydrophobicContact CG-CG2 4.01Å; M370-V374 WeakPolarHBondContact O-CG2 3.45Å; M370-V374 PolarHBondContact O-N 3.38Å; M370-V374 VanDerWaalsContact O-N 3.08Å
371L79.3Confident82.7Confident64 Ų64104.8 Ų104.834%0.33552%0.523SS..Hα-helixtrans-65.4-30.4178.1-73.5169.6000112.7R367 L368 I373 V379R367-L371 HydrophobicContact CG-CD1 4.31Å; R367-L371 WeakPolarHBondContact O-CB 3.44Å; R367-L371 VanDerWaalsContact O-CG 3.29Å; R367-L371 WeakPolarHBondContact O-CG 3.43Å; R367-L371 PolarHBondContact O-N 2.86Å; L368-L371 WeakPolarHBondContact O-CB 3.26Å; L368-L371 PolarHBondContact O-N 3.26Å; L371-I373 VanDerWaalsContact C-N 3.27Å; L371-I373 PolarHBondContact O-N 2.94Å; L371-V379 HydrophobicContact CD2-CG1 4.33Å; L371-V379 HydrophobicContact CD2-CG2 4.41Å
372E79.4Confident82Confident162 Ų162101 Ų10176%0.75751%0.512SS*.Hα-helixtrans-65.4-28.3173.7-73.3171.1178.600112.8L368 S369 M370L368-E372 WeakPolarHBondContact O-CG 3.49Å; L368-E372 PolarHBondContact O-N 3.4Å; S369-E372 PolarHBondContact O-N 3.3Å; M370-E372 VanDerWaalsContact C-N 3.29Å; M370-E372 PolarHBondContact O-N 2.93Å
373I79.6Confident81.4Confident138 Ų138101.6 Ų101.671%0.70851%0.508SS*.Hα-helixtrans-98.4-26.2-173.8-59.4165.1000112.4S369 M370 L371S369-I373 WeakPolarHBondContact O-CD1 3.45Å; S369-I373 WeakPolarHBondContact O-CG1 3.45Å; S369-I373 PolarHBondContact O-N 3.36Å; M370-I373 PolarHBondContact O-N 2.86Å; L371-I373 VanDerWaalsContact C-N 3.27Å; L371-I373 PolarHBondContact O-N 2.94Å
374V72.7Confident81Confident48 Ų48105.3 Ų105.329%0.29151%0.513SS..SBendtrans-87.3135.2-171.5174.30000112.6M370 Q378 V379M370-V374 HydrophobicContact CG-CG2 4.01Å; M370-V374 WeakPolarHBondContact O-CG2 3.45Å; M370-V374 PolarHBondContact O-N 3.38Å; M370-V374 VanDerWaalsContact O-N 3.08Å; V374-Q378 HydrophobicContact CG1-CB 3.93Å; V374-V379 HydrophobicContact CG1-CG2 3.94Å
375H72.9Confident80.8Confident132 Ų132101.1 Ų101.161%0.61150%0.5SS*.  trans-66.7138177.7-171.8-90.8000112.3G377 Q378H375-G377 VanDerWaalsContact C-N 3.25Å; H375-G377 PolarHBondContact ND1-N 2.87Å; H375-G377 PolarHBondContact O-N 3.48Å; H375-Q378 PolarHBondContact O-N 3.31Å
376P72.9Confident80.4Confident103 Ų10399.1 Ų99.167%0.66949%0.492SS*.Hα-helixtrans-51.6-34.6-174-30.335.1000115.8Q378 V379P376-Q378 VanDerWaalsContact C-N 3.3Å; P376-Q378 PolarHBondContact O-N 3.4Å; P376-V379 WeakPolarHBondContact O-CB 3.44Å; P376-V379 PolarHBondContact O-N 2.95Å
377G74.6Confident80.3Confident57 Ų57100.1 Ų100.159%0.58849%0.494SS*.Hα-helixtrans-68.3-20.6177.700000115.4H375H375-G377 VanDerWaalsContact C-N 3.25Å; H375-G377 PolarHBondContact ND1-N 2.87Å; H375-G377 PolarHBondContact O-N 3.48Å
378Q78.2Confident80.7Confident130 Ų13099.3 Ų99.361%0.60750%0.497SS*.Hα-helixtrans-91.1-18.9178-64.4-175.85.800112.8V374 H375 P376 E380 K381 H382V374-Q378 HydrophobicContact CG1-CB 3.93Å; H375-Q378 PolarHBondContact O-N 3.31Å; P376-Q378 VanDerWaalsContact C-N 3.3Å; P376-Q378 PolarHBondContact O-N 3.4Å; Q378-E380 VanDerWaalsContact C-N 3.34Å; Q378-E380 PolarHBondContact O-N 3.45Å; Q378-K381 PolarHBondContact O-N 3.03Å; Q378-H382 PolarHBondContact O-N 2.92Å
379V77.6Confident81Confident29 Ų2999.6 Ų99.618%0.17649%0.493CS..Hα-helixtrans-62.6-41.5178.3176.60000111L371 V374 P376 K381 H382 Y383L371-V379 HydrophobicContact CD2-CG1 4.33Å; L371-V379 HydrophobicContact CD2-CG2 4.41Å; V374-V379 HydrophobicContact CG1-CG2 3.94Å; P376-V379 WeakPolarHBondContact O-CB 3.44Å; P376-V379 PolarHBondContact O-N 2.95Å; V379-K381 PolarHBondContact O-N 2.9Å; V379-H382 PolarHBondContact O-N 3.46Å; V379-Y383 HydrophobicContact CG1-CD2 3.66Å; V379-Y383 HydrophobicContact CG1-CE2 3.21Å; V379-Y383 VanDerWaalsContact O-CD2 3.31Å; V379-Y383 WeakPolarHBondContact O-CD2 3.36Å; V379-Y383 PolarHBondContact O-N 3.27Å
380E79.3Confident81.1Confident105 Ų10599.6 Ų99.649%0.49149%0.493SS..Hα-helixtrans-64.8-36179.1-173.957.2-147.500113.2Q378 R384Q378-E380 VanDerWaalsContact C-N 3.34Å; Q378-E380 PolarHBondContact O-N 3.45Å; E380-R384 PolarHBondContact O-N 2.94Å; E380-R384 PolarHBondContact O-NE 3.46Å; E380-R384 IonicContact OE1-NE 2.97Å
381K82.4Confident81.7Confident132 Ų13297.9 Ų97.957%0.57449%0.491SS*.Hα-helixtrans-67-43175.1-175.6-178.1174.9-175.20110.6Q378 V379 R384 E385Q378-K381 PolarHBondContact O-N 3.03Å; V379-K381 PolarHBondContact O-N 2.9Å; K381-R384 PolarHBondContact O-N 3.42Å; K381-E385 WeakPolarHBondContact CE-OE1 3.25Å; K381-E385 WeakPolarHBondContact O-CG 3.4Å; K381-E385 PolarHBondContact O-N 3.38Å; K381-E385 VanDerWaalsContact O-N 3.12Å
382H80.4Confident82.4Confident78 Ų78100.1 Ų100.136%0.36150%0.503SS..Hα-helixtrans-64.4-40.2178.2-175.869.3000112.5Q378 V379 E385 M386Q378-H382 PolarHBondContact O-N 2.92Å; V379-H382 PolarHBondContact O-N 3.46Å; H382-E385 PolarHBondContact O-N 3.27Å; H382-M386 WeakPolarHBondContact O-CG 3.47Å; H382-M386 PolarHBondContact O-N 2.87Å
383Y83.1Confident83.1Confident116 Ų11697 Ų9746%0.45549%0.491SS..Hα-helixtrans-62-45175.8-77.1-52.4000112.3V379 E385 M386 E387V379-Y383 HydrophobicContact CG1-CD2 3.66Å; V379-Y383 HydrophobicContact CG1-CE2 3.21Å; V379-Y383 VanDerWaalsContact O-CD2 3.31Å; V379-Y383 WeakPolarHBondContact O-CD2 3.36Å; V379-Y383 PolarHBondContact O-N 3.27Å; Y383-E385 PolarHBondContact O-N 3.44Å; Y383-M386 WeakPolarHBondContact O-CB 3.44Å; Y383-M386 PolarHBondContact O-N 3.25Å; Y383-M386 VanDerWaalsContact O-N 3.1Å; Y383-E387 WeakPolarHBondContact O-CG 3.5Å; Y383-E387 PolarHBondContact O-N 3.43Å
384R83.6Confident83.7Confident136 Ų13696 Ų9651%0.51349%0.485SS..Hα-helixtrans-58.5-44.5174.9-78.6-176.5-87.2171.8-9112.9E380 K381 M386 E387 E388E380-R384 PolarHBondContact O-N 2.94Å; E380-R384 PolarHBondContact O-NE 3.46Å; E380-R384 IonicContact OE1-NE 2.97Å; K381-R384 PolarHBondContact O-N 3.42Å; R384-M386 VanDerWaalsContact C-N 3.28Å; R384-M386 PolarHBondContact O-N 2.94Å; R384-E387 PolarHBondContact O-N 3.41Å; R384-E388 WeakPolarHBondContact O-CG 3.35Å; R384-E388 PolarHBondContact O-N 3.42Å
385E85.8Confident84.7Confident74 Ų7498.4 Ų98.435%0.34649%0.493SS..Hα-helixtrans-62.2-35.1175.6-70.9176.1-166.500112.6K381 H382 Y383 K389K381-E385 WeakPolarHBondContact CE-OE1 3.25Å; K381-E385 WeakPolarHBondContact O-CG 3.4Å; K381-E385 PolarHBondContact O-N 3.38Å; K381-E385 VanDerWaalsContact O-N 3.12Å; H382-E385 PolarHBondContact O-N 3.27Å; Y383-E385 PolarHBondContact O-N 3.44Å; E385-K389 WeakPolarHBondContact O-CB 3.4Å; E385-K389 WeakPolarHBondContact O-CD 3.42Å; E385-K389 VanDerWaalsContact O-CG 3.24Å; E385-K389 WeakPolarHBondContact O-CG 3.36Å; E385-K389 PolarHBondContact O-N 3.29Å; E385-K389 VanDerWaalsContact O-N 3.09Å
386M83.5Confident85.7Confident81 Ų8199.7 Ų99.740%0.39950%0.497SS..Hα-helixtrans-72.5-36.4176.3-74.7-60.7-61.500112.5H382 Y383 R384 K389 S390H382-M386 WeakPolarHBondContact O-CG 3.47Å; H382-M386 PolarHBondContact O-N 2.87Å; Y383-M386 WeakPolarHBondContact O-CB 3.44Å; Y383-M386 PolarHBondContact O-N 3.25Å; Y383-M386 VanDerWaalsContact O-N 3.1Å; R384-M386 VanDerWaalsContact C-N 3.28Å; R384-M386 PolarHBondContact O-N 2.94Å; M386-K389 HydrophobicContact SD-CD 4.49Å; M386-S390 VanDerWaalsContact O-CB 3.27Å; M386-S390 WeakPolarHBondContact O-CB 3.31Å; M386-S390 PolarHBondContact O-N 2.95Å; M386-S390 PolarHBondContact O-OG 2.94Å
387E87Confident86.7Confident133 Ų133100.7 Ų100.762%0.62149%0.493SS*.Hα-helixtrans-63.9-46.7173.3-73.7-179.8167.600111.3Y383 R384 K389 S390 A391Y383-E387 WeakPolarHBondContact O-CG 3.5Å; Y383-E387 PolarHBondContact O-N 3.43Å; R384-E387 PolarHBondContact O-N 3.41Å; E387-K389 PolarHBondContact O-N 2.87Å; E387-S390 PolarHBondContact O-N 3.45Å; E387-A391 WeakPolarHBondContact O-CB 3.4Å; E387-A391 PolarHBondContact O-N 2.92Å
388E91.1Very high87.6Confident131 Ų131105.4 Ų105.461%0.61249%0.493SS*.Hα-helixtrans-59.6-48176-73.3177.7-177.400111.7R384 S390 A391 L392R384-E388 WeakPolarHBondContact O-CG 3.35Å; R384-E388 PolarHBondContact O-N 3.42Å; E388-S390 VanDerWaalsContact C-N 3.31Å; E388-S390 PolarHBondContact O-N 3.21Å; E388-A391 PolarHBondContact O-N 2.79Å; E388-L392 WeakPolarHBondContact O-CG 3.41Å; E388-L392 PolarHBondContact O-N 3Å
389K91.2Very high88.4Confident111 Ų111107.3 Ų107.348%0.48349%0.494SS..Hα-helixtrans-60.4-41.4176.1-74.6169.3-174164.70111.8E385 M386 E387 L392 I393E385-K389 WeakPolarHBondContact O-CB 3.4Å; E385-K389 WeakPolarHBondContact O-CD 3.42Å; E385-K389 VanDerWaalsContact O-CG 3.24Å; E385-K389 WeakPolarHBondContact O-CG 3.36Å; E385-K389 PolarHBondContact O-N 3.29Å; E385-K389 VanDerWaalsContact O-N 3.09Å; M386-K389 HydrophobicContact SD-CD 4.49Å; E387-K389 PolarHBondContact O-N 2.87Å; K389-L392 PolarHBondContact O-N 3.21Å; K389-I393 VanDerWaalsContact O-CG1 3.3Å; K389-I393 WeakPolarHBondContact O-CG1 3.44Å; K389-I393 PolarHBondContact O-N 3.48Å; K389-I393 VanDerWaalsContact O-N 3.09Å
390S89.1Confident89.3Confident55 Ų55107 Ų10739%0.38550%0.497SS..Hα-helixtrans-66-43.9178.5-60.60000111.5M386 E387 E388 L392 I393 I394M386-S390 VanDerWaalsContact O-CB 3.27Å; M386-S390 WeakPolarHBondContact O-CB 3.31Å; M386-S390 PolarHBondContact O-N 2.95Å; M386-S390 PolarHBondContact O-OG 2.94Å; E387-S390 PolarHBondContact O-N 3.45Å; E388-S390 VanDerWaalsContact C-N 3.31Å; E388-S390 PolarHBondContact O-N 3.21Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 3.03Å; S390-I393 PolarHBondContact O-N 3.31Å; S390-I394 VanDerWaalsContact O-CG1 3.32Å; S390-I394 WeakPolarHBondContact O-CG1 3.43Å; S390-I394 PolarHBondContact O-N 3.48Å
391A92.3Very high89.9Confident40 Ų40107.6 Ų107.633%0.33150%0.496SS..Hα-helixtrans-58.8-44.7175.500000111.3E387 E388 I393 I394 Q395E387-A391 WeakPolarHBondContact O-CB 3.4Å; E387-A391 PolarHBondContact O-N 2.92Å; E388-A391 PolarHBondContact O-N 2.79Å; A391-I393 PolarHBondContact O-N 2.96Å; A391-I394 PolarHBondContact O-N 3.39Å; A391-Q395 VanDerWaalsContact O-CB 3.32Å; A391-Q395 WeakPolarHBondContact O-CB 3.45Å; A391-Q395 WeakPolarHBondContact O-CG 3.49Å; A391-Q395 PolarHBondContact O-N 2.95Å
392L94.3Very high90.4Very high112 Ų112107.8 Ų107.859%0.58649%0.493SS*.Hα-helixtrans-61.1-41.5176.3-71.5173.4000112.5E388 K389 S390 K396E388-L392 WeakPolarHBondContact O-CG 3.41Å; E388-L392 PolarHBondContact O-N 3Å; K389-L392 PolarHBondContact O-N 3.21Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 3.03Å; L392-K396 VanDerWaalsContact O-CB 3.25Å; L392-K396 WeakPolarHBondContact O-CB 3.47Å; L392-K396 PolarHBondContact O-N 2.95Å
393I93.3Very high91Very high97 Ų97108.8 Ų108.850%0.49750%0.498SS..Hα-helixtrans-64.8-47.2177.4-68.2166.1000110.6K389 S390 A391 Q395 K396 H397K389-I393 VanDerWaalsContact O-CG1 3.3Å; K389-I393 WeakPolarHBondContact O-CG1 3.44Å; K389-I393 PolarHBondContact O-N 3.48Å; K389-I393 VanDerWaalsContact O-N 3.09Å; S390-I393 PolarHBondContact O-N 3.31Å; A391-I393 PolarHBondContact O-N 2.96Å; I393-Q395 PolarHBondContact O-N 3.36Å; I393-K396 PolarHBondContact O-N 3.35Å; I393-H397 PolarHBondContact O-CD2 3.44Å; I393-H397 VanDerWaalsContact O-CD2 3.32Å; I393-H397 PolarHBondContact O-N 3.26Å
394I92.4Very high91.4Very high116 Ų116109.5 Ų109.560%0.59550%0.5SS*.Hα-helixtrans-61.1-47.6178.8-67.4166.8000110.1S390 A391 K396 H397 W398S390-I394 VanDerWaalsContact O-CG1 3.32Å; S390-I394 WeakPolarHBondContact O-CG1 3.43Å; S390-I394 PolarHBondContact O-N 3.48Å; A391-I394 PolarHBondContact O-N 3.39Å; I394-K396 VanDerWaalsContact C-N 3.35Å; I394-K396 PolarHBondContact O-N 3.36Å; I394-H397 PolarHBondContact O-N 3.47Å; I394-W398 WeakPolarHBondContact O-CB 3.38Å; I394-W398 PolarHBondContact O-N 3.41Å
395Q92.9Very high91.7Very high99 Ų99108 Ų10846%0.46350%0.497SS..Hα-helixtrans-60.9-42.6177.8-72.1173.37.900111.8A391 I393 W398 R399A391-Q395 VanDerWaalsContact O-CB 3.32Å; A391-Q395 WeakPolarHBondContact O-CB 3.45Å; A391-Q395 WeakPolarHBondContact O-CG 3.49Å; A391-Q395 PolarHBondContact O-N 2.95Å; I393-Q395 PolarHBondContact O-N 3.36Å; Q395-W398 PolarHBondContact O-N 3.48Å; Q395-R399 VanDerWaalsContact O-CG 3.31Å; Q395-R399 WeakPolarHBondContact O-CG 3.39Å; Q395-R399 PolarHBondContact O-N 2.93Å
396K95.4Very high91.9Very high159 Ų159107.3 Ų107.369%0.69150%0.495SS*.Hα-helixtrans-60.5-47.7175.2179.1-178.4177.3-179.70111.5L392 I393 I394 R399 G400L392-K396 VanDerWaalsContact O-CB 3.25Å; L392-K396 WeakPolarHBondContact O-CB 3.47Å; L392-K396 PolarHBondContact O-N 2.95Å; I393-K396 PolarHBondContact O-N 3.35Å; I394-K396 VanDerWaalsContact C-N 3.35Å; I394-K396 PolarHBondContact O-N 3.36Å; K396-R399 PolarHBondContact O-N 3.31Å; K396-G400 PolarHBondContact O-N 2.77Å; K396-G400 VanDerWaalsContact O-N 3.12Å
397H93.6Very high92.2Very high123 Ų123108.8 Ų108.857%0.56950%0.5SS*.Hα-helixtrans-64.7-39.5178-87.7-79.7000112.4I393 I394 G400 Y401I393-H397 PolarHBondContact O-CD2 3.44Å; I393-H397 VanDerWaalsContact O-CD2 3.32Å; I393-H397 PolarHBondContact O-N 3.26Å; I394-H397 PolarHBondContact O-N 3.47Å; H397-G400 PolarHBondContact O-N 2.99Å; H397-Y401 WeakPolarHBondContact O-CB 3.38Å; H397-Y401 PolarHBondContact O-N 3.16Å
398W93.3Very high92.2Very high157 Ų157107.5 Ų107.560%0.59549%0.493SS*.Hα-helixtrans-63.6-46.7176.7177.2-119000112.3I394 Q395 G400 Y401 R402I394-W398 WeakPolarHBondContact O-CB 3.38Å; I394-W398 PolarHBondContact O-N 3.41Å; Q395-W398 PolarHBondContact O-N 3.48Å; W398-G400 VanDerWaalsContact C-N 3.28Å; W398-G400 PolarHBondContact O-N 2.96Å; W398-Y401 AromaticContact CE3-CD1 3.67Å; W398-Y401 HydrophobicContact CE3-CD1 3.67Å; W398-Y401 HydrophobicContact CE3-CE1 4.37Å; W398-Y401 HydrophobicContact CE3-CG 4.43Å; W398-Y401 HydrophobicContact CH2-CD1 4.13Å; W398-Y401 HydrophobicContact CH2-CE1 4.17Å; W398-Y401 AromaticContact CZ3-CD1 3.32Å; W398-Y401 HydrophobicContact CZ3-CD1 3.32Å; W398-Y401 AromaticContact CZ3-CE1 3.58Å; W398-Y401 HydrophobicContact CZ3-CE1 3.58Å; W398-Y401 HydrophobicContact CZ3-CG 4.41Å; W398-Y401 PolarHBondContact O-N 3.02Å; W398-Y401 VanDerWaalsContact O-N 3.14Å; W398-R402 WeakPolarHBondContact O-CB 3.3Å; W398-R402 PolarHBondContact O-N 2.85Å
399R95.1Very high91.9Very high170 Ų170107.4 Ų107.464%0.64249%0.493SS*.Hα-helixtrans-55.3-45.9173.7-71.7175.7-169.5-1755.1110.8Q395 K396 R402 E403Q395-R399 VanDerWaalsContact O-CG 3.31Å; Q395-R399 WeakPolarHBondContact O-CG 3.39Å; Q395-R399 PolarHBondContact O-N 2.93Å; K396-R399 PolarHBondContact O-N 3.31Å; R399-R402 PolarHBondContact O-N 3.34Å; R399-E403 PolarHBondContact O-N 2.97Å
400G95.4Very high91.8Very high23 Ų23107.7 Ų107.724%0.23750%0.496CS..Hα-helixtrans-65.5-39.3176.300000114K396 H397 W398 R404K396-G400 PolarHBondContact O-N 2.77Å; K396-G400 VanDerWaalsContact O-N 3.12Å; H397-G400 PolarHBondContact O-N 2.99Å; W398-G400 VanDerWaalsContact C-N 3.28Å; W398-G400 PolarHBondContact O-N 2.96Å; G400-R404 VanDerWaalsContact C-CZ 3.49Å; G400-R404 WeakPolarHBondContact O-CG 3.37Å; G400-R404 VanDerWaalsContact O-CZ 3.3Å; G400-R404 PolarHBondContact O-N 3.07Å; G400-R404 VanDerWaalsContact O-N 3.11Å; G400-R404 PolarHBondContact O-NH1 2.91Å
401Y92.8Very high91.9Very high117 Ų117111.5 Ų111.546%0.45950%0.502SS..Hα-helixtrans-64.1-42.4176172.5-96.9000111.5H397 W398 E403 R404 K405H397-Y401 WeakPolarHBondContact O-CB 3.38Å; H397-Y401 PolarHBondContact O-N 3.16Å; W398-Y401 AromaticContact CE3-CD1 3.67Å; W398-Y401 HydrophobicContact CE3-CD1 3.67Å; W398-Y401 HydrophobicContact CE3-CE1 4.37Å; W398-Y401 HydrophobicContact CE3-CG 4.43Å; W398-Y401 HydrophobicContact CH2-CD1 4.13Å; W398-Y401 HydrophobicContact CH2-CE1 4.17Å; W398-Y401 AromaticContact CZ3-CD1 3.32Å; W398-Y401 HydrophobicContact CZ3-CD1 3.32Å; W398-Y401 AromaticContact CZ3-CE1 3.58Å; W398-Y401 HydrophobicContact CZ3-CE1 3.58Å; W398-Y401 HydrophobicContact CZ3-CG 4.41Å; W398-Y401 PolarHBondContact O-N 3.02Å; W398-Y401 VanDerWaalsContact O-N 3.14Å; Y401-E403 PolarHBondContact O-N 2.91Å; Y401-R404 PolarHBondContact O-N 3.34Å; Y401-K405 HydrophobicContact CE1-CD 4.31Å; Y401-K405 WeakPolarHBondContact O-CB 3.39Å; Y401-K405 PolarHBondContact O-N 2.91Å
402R93.6Very high91.4Very high135 Ų135116.5 Ų116.551%0.50952%0.519SS..Hα-helixtrans-56.6-50.2177.4-165.3-17383.1178.48.3111.4W398 R399 R404 K405 N406W398-R402 WeakPolarHBondContact O-CB 3.3Å; W398-R402 PolarHBondContact O-N 2.85Å; R399-R402 PolarHBondContact O-N 3.34Å; R402-R404 PolarHBondContact O-N 3.26Å; R402-K405 WeakPolarHBondContact O-CB 3.46Å; R402-K405 PolarHBondContact O-N 3.05Å; R402-N406 PolarHBondContact O-N 3.04Å
403E93Very high91.1Very high99 Ų99114.7 Ų114.746%0.46352%0.516SS..Hα-helixtrans-65.8-38.1179.5-63-48.7133.200112.4R399 Y401 K405 N406 F407R399-E403 PolarHBondContact O-N 2.97Å; Y401-E403 PolarHBondContact O-N 2.91Å; E403-K405 PolarHBondContact O-N 3.2Å; E403-N406 PolarHBondContact O-N 3.35Å; E403-F407 WeakPolarHBondContact O-CB 3.39Å; E403-F407 PolarHBondContact O-N 3.35Å
404R91Very high90.9Very high132 Ų132113.6 Ų113.650%0.49851%0.51SS..Hα-helixtrans-63.9-39.3173.2-74.1-173.4-65.4-85.91.2112.3G400 Y401 R402 F407 H408G400-R404 VanDerWaalsContact C-CZ 3.49Å; G400-R404 WeakPolarHBondContact O-CG 3.37Å; G400-R404 VanDerWaalsContact O-CZ 3.3Å; G400-R404 PolarHBondContact O-N 3.07Å; G400-R404 VanDerWaalsContact O-N 3.11Å; G400-R404 PolarHBondContact O-NH1 2.91Å; Y401-R404 PolarHBondContact O-N 3.34Å; R402-R404 PolarHBondContact O-N 3.26Å; R404-F407 PolarHBondContact O-N 3.49Å; R404-H408 WeakPolarHBondContact O-CB 3.46Å; R404-H408 PolarHBondContact O-CD2 2.96Å; R404-H408 PolarHBondContact O-N 2.93Å
405K89.3Confident90.7Very high105 Ų105112.1 Ų112.146%0.45751%0.507SS..Hα-helixtrans-63.4-46.1176.4-171.7-178.3179.8-175.90111Y401 R402 E403 F407 H408 Q409Y401-K405 HydrophobicContact CE1-CD 4.31Å; Y401-K405 WeakPolarHBondContact O-CB 3.39Å; Y401-K405 PolarHBondContact O-N 2.91Å; R402-K405 WeakPolarHBondContact O-CB 3.46Å; R402-K405 PolarHBondContact O-N 3.05Å; E403-K405 PolarHBondContact O-N 3.2Å; K405-F407 PolarHBondContact O-N 3.37Å; K405-H408 PolarHBondContact O-N 3.32Å; K405-Q409 WeakPolarHBondContact O-CG 3.47Å; K405-Q409 PolarHBondContact O-N 3.49Å
406N90.8Very high90.4Very high58 Ų58113.7 Ų113.731%0.3151%0.514SS..Hα-helixtrans-59.8-45.6175.1-68.7-9.3000111.3R402 E403 H408 Q409 Q410R402-N406 PolarHBondContact O-N 3.04Å; E403-N406 PolarHBondContact O-N 3.35Å; N406-H408 PolarHBondContact O-N 3.47Å; N406-Q409 WeakPolarHBondContact O-CB 3.28Å; N406-Q409 PolarHBondContact O-N 3.28Å; N406-Q410 WeakPolarHBondContact O-CG 3.38Å; N406-Q410 PolarHBondContact O-N 3.32Å; N406-Q410 VanDerWaalsContact O-N 3.08Å
407F90.4Very high90.3Very high113 Ų113113.6 Ų113.650%0.49651%0.51SS..Hα-helixtrans-62.3-41175.9179-100.3000112.5E403 R404 K405 Q409 Q410 R411 L414E403-F407 WeakPolarHBondContact O-CB 3.39Å; E403-F407 PolarHBondContact O-N 3.35Å; R404-F407 PolarHBondContact O-N 3.49Å; K405-F407 PolarHBondContact O-N 3.37Å; F407-Q409 VanDerWaalsContact C-N 3.32Å; F407-Q409 PolarHBondContact O-N 3.47Å; F407-Q410 CarbonylContact O-C 3.51Å; F407-Q410 PolarHBondContact O-N 3.38Å; F407-Q410 VanDerWaalsContact O-N 3.17Å; F407-R411 WeakPolarHBondContact O-CB 3.47Å; F407-R411 PolarHBondContact O-N 3.48Å; F407-L414 HydrophobicContact CE2-CD1 4.11Å
408H86.4Confident90.3Very high105 Ų105114.6 Ų114.649%0.48651%0.513SS..Hα-helixtrans-62.5-38.6176.6-83.3-58.5000112.5R404 K405 N406 Q410 R411R404-H408 WeakPolarHBondContact O-CB 3.46Å; R404-H408 PolarHBondContact O-CD2 2.96Å; R404-H408 PolarHBondContact O-N 2.93Å; K405-H408 PolarHBondContact O-N 3.32Å; N406-H408 PolarHBondContact O-N 3.47Å; H408-Q410 VanDerWaalsContact C-N 3.34Å; H408-R411 WeakPolarHBondContact O-CB 3.49Å; H408-R411 PolarHBondContact O-N 2.87Å
409Q85.3Confident90.1Very high129 Ų129109.5 Ų109.560%0.60350%0.504SS*.Hα-helixtrans-63-40.8173.2-70172.4-16.600111.4K405 N406 F407 R411K405-Q409 WeakPolarHBondContact O-CG 3.47Å; K405-Q409 PolarHBondContact O-N 3.49Å; N406-Q409 WeakPolarHBondContact O-CB 3.28Å; N406-Q409 PolarHBondContact O-N 3.28Å; F407-Q409 VanDerWaalsContact C-N 3.32Å; F407-Q409 PolarHBondContact O-N 3.47Å; Q409-R411 VanDerWaalsContact C-N 3.33Å; Q409-R411 PolarHBondContact O-N 2.97Å
410Q88.9Confident90Very high117 Ų117103.3 Ų103.355%0.54749%0.49SS..Hα-helixtrans-78.3-14.1177.8-66.5175.9-2.900114N406 F407 H408 Q412 S413 L414N406-Q410 WeakPolarHBondContact O-CG 3.38Å; N406-Q410 PolarHBondContact O-N 3.32Å; N406-Q410 VanDerWaalsContact O-N 3.08Å; F407-Q410 CarbonylContact O-C 3.51Å; F407-Q410 PolarHBondContact O-N 3.38Å; F407-Q410 VanDerWaalsContact O-N 3.17Å; H408-Q410 VanDerWaalsContact C-N 3.34Å; Q410-Q412 VanDerWaalsContact C-N 3.34Å; Q410-Q412 PolarHBondContact O-N 3.3Å; Q410-S413 PolarHBondContact O-N 2.89Å; Q410-L414 HydrophobicContact CB-CD1 4.49Å; Q410-L414 WeakPolarHBondContact O-CG 3.31Å; Q410-L414 PolarHBondContact O-N 2.94Å
411R89.3Confident90Very high135 Ų135103.6 Ų103.651%0.50949%0.487SS..Hα-helixtrans-61.8-39.2-171.8-167.5178.180.8166.35112.8F407 H408 Q409 L414 T415F407-R411 WeakPolarHBondContact O-CB 3.47Å; F407-R411 PolarHBondContact O-N 3.48Å; H408-R411 WeakPolarHBondContact O-CB 3.49Å; H408-R411 PolarHBondContact O-N 2.87Å; Q409-R411 VanDerWaalsContact C-N 3.33Å; Q409-R411 PolarHBondContact O-N 2.97Å; R411-L414 PolarHBondContact O-N 3.31Å; R411-T415 WeakPolarHBondContact O-CB 3.3Å; R411-T415 PolarHBondContact O-N 2.97Å; R411-T415 PolarHBondContact O-OG1 3.47Å
412Q82.3Confident90Very high145 Ų145102.4 Ų102.468%0.67849%0.492SS*.Hα-helixtrans-63.7-52.3179.3-72.7178.4-9.100110.4Q410 L414 T415 E416Q410-Q412 VanDerWaalsContact C-N 3.34Å; Q410-Q412 PolarHBondContact O-N 3.3Å; Q412-L414 VanDerWaalsContact C-N 3.34Å; Q412-L414 PolarHBondContact O-N 2.87Å; Q412-T415 WeakPolarHBondContact O-CA 3.39Å; Q412-T415 WeakPolarHBondContact O-CB 3.34Å; Q412-T415 PolarHBondContact O-N 2.86Å; Q412-E416 WeakPolarHBondContact O-CG 3.49Å; Q412-E416 PolarHBondContact O-N 3.42Å
413S87.6Confident89.9Confident75 Ų75102.1 Ų102.152%0.52450%0.5SS..Hα-helixtrans-55.6-44175.1171.60000112.9Q410 T415 E416 Y417Q410-S413 PolarHBondContact O-N 2.89Å; S413-T415 VanDerWaalsContact C-N 3.31Å; S413-T415 PolarHBondContact O-N 2.96Å; S413-E416 PolarHBondContact O-N 3.23Å; S413-Y417 WeakPolarHBondContact O-CB 3.34Å; S413-Y417 PolarHBondContact O-N 3.11Å
414L90.3Very high89.9Confident74 Ų74103.2 Ų103.239%0.38751%0.505SS..Hα-helixtrans-66.8-32.3176.9-71.5174.2000113F407 Q410 R411 Q412 K418F407-L414 HydrophobicContact CE2-CD1 4.11Å; Q410-L414 HydrophobicContact CB-CD1 4.49Å; Q410-L414 WeakPolarHBondContact O-CG 3.31Å; Q410-L414 PolarHBondContact O-N 2.94Å; R411-L414 PolarHBondContact O-N 3.31Å; Q412-L414 VanDerWaalsContact C-N 3.34Å; Q412-L414 PolarHBondContact O-N 2.87Å; L414-K418 WeakPolarHBondContact O-CB 3.25Å; L414-K418 VanDerWaalsContact O-CG 3.27Å; L414-K418 WeakPolarHBondContact O-CG 3.45Å; L414-K418 PolarHBondContact O-N 3.32Å
415T88.3Confident90.1Very high84 Ų84104.9 Ų104.952%0.51551%0.511SS..Hα-helixtrans-72.4-44.6177.4-560000110.4R411 Q412 S413 K418 A419R411-T415 WeakPolarHBondContact O-CB 3.3Å; R411-T415 PolarHBondContact O-N 2.97Å; R411-T415 PolarHBondContact O-OG1 3.47Å; Q412-T415 WeakPolarHBondContact O-CA 3.39Å; Q412-T415 WeakPolarHBondContact O-CB 3.34Å; Q412-T415 PolarHBondContact O-N 2.86Å; S413-T415 VanDerWaalsContact C-N 3.31Å; S413-T415 PolarHBondContact O-N 2.96Å; T415-K418 PolarHBondContact O-N 2.87Å; T415-A419 WeakPolarHBondContact O-CB 3.48Å; T415-A419 PolarHBondContact O-N 3.48Å
416E87.2Confident90.1Very high133 Ų133102.5 Ų102.562%0.62151%0.511SS*.Hα-helixtrans-60-46.3174.1-71.8169.2-175.700111.2Q412 S413 K418 A419 A420Q412-E416 WeakPolarHBondContact O-CG 3.49Å; Q412-E416 PolarHBondContact O-N 3.42Å; S413-E416 PolarHBondContact O-N 3.23Å; E416-K418 PolarHBondContact O-N 3.17Å; E416-A419 PolarHBondContact O-N 2.95Å; E416-A420 WeakPolarHBondContact O-CB 3.37Å; E416-A420 PolarHBondContact O-N 3.37Å
417Y92.9Very high90.2Very high156 Ų156102.1 Ų102.161%0.61252%0.516SS*.Hα-helixtrans-59.6-47.2175.1177.4-102.3000112S413 A419 A420 V421S413-Y417 WeakPolarHBondContact O-CB 3.34Å; S413-Y417 PolarHBondContact O-N 3.11Å; Y417-A419 VanDerWaalsContact C-N 3.34Å; Y417-A419 PolarHBondContact O-N 3.34Å; Y417-A420 PolarHBondContact O-N 2.93Å; Y417-V421 HydrophobicContact CD1-CG2 4.41Å; Y417-V421 HydrophobicContact CE1-CG2 4.02Å; Y417-V421 HydrophobicContact CE2-CG2 4.12Å; Y417-V421 WeakPolarHBondContact O-CG2 3.2Å; Y417-V421 PolarHBondContact O-N 3.42Å
418K93.1Very high90.3Very high145 Ų145102.5 Ų102.563%0.6352%0.522SS*.Hα-helixtrans-62.7-39.6176.5-78.7178.9179-178.20112.3L414 T415 E416 T422L414-K418 WeakPolarHBondContact O-CB 3.25Å; L414-K418 VanDerWaalsContact O-CG 3.27Å; L414-K418 WeakPolarHBondContact O-CG 3.45Å; L414-K418 PolarHBondContact O-N 3.32Å; T415-K418 PolarHBondContact O-N 2.87Å; E416-K418 PolarHBondContact O-N 3.17Å; K418-T422 WeakPolarHBondContact O-CB 3.41Å; K418-T422 PolarHBondContact O-N 3.04Å; K418-T422 PolarHBondContact O-OG1 3.47Å
419A90Very high90.5Very high49 Ų49105.2 Ų105.241%0.40553%0.533SS..Hα-helixtrans-64.3-46175.900000111T415 E416 Y417 V421 T422 L423T415-A419 WeakPolarHBondContact O-CB 3.48Å; T415-A419 PolarHBondContact O-N 3.48Å; E416-A419 PolarHBondContact O-N 2.95Å; Y417-A419 VanDerWaalsContact C-N 3.34Å; Y417-A419 PolarHBondContact O-N 3.34Å; A419-V421 PolarHBondContact O-N 2.98Å; A419-T422 WeakPolarHBondContact O-CB 3.47Å; A419-T422 PolarHBondContact O-N 3.47Å; A419-T422 VanDerWaalsContact O-N 3.12Å; A419-L423 PolarHBondContact O-N 3.34Å
420A93.1Very high90.7Very high41 Ų41105.3 Ų105.334%0.33953%0.532SS..Hα-helixtrans-58.6-47.3176.100000111.8E416 Y417 T422 L423 Q424E416-A420 WeakPolarHBondContact O-CB 3.37Å; E416-A420 PolarHBondContact O-N 3.37Å; Y417-A420 PolarHBondContact O-N 2.93Å; A420-T422 VanDerWaalsContact C-N 3.28Å; A420-T422 PolarHBondContact O-N 3.15Å; A420-L423 PolarHBondContact O-N 2.94Å; A420-Q424 WeakPolarHBondContact O-CB 3.41Å; A420-Q424 VanDerWaalsContact O-CG 3.26Å; A420-Q424 WeakPolarHBondContact O-CG 3.42Å; A420-Q424 PolarHBondContact O-N 3.05Å
421V94.9Very high90.8Very high29 Ų29104 Ų10418%0.17653%0.528CS..Hα-helixtrans-61-38.4175.6171.10000111.4Y417 A419 R425Y417-V421 HydrophobicContact CD1-CG2 4.41Å; Y417-V421 HydrophobicContact CE1-CG2 4.02Å; Y417-V421 HydrophobicContact CE2-CG2 4.12Å; Y417-V421 WeakPolarHBondContact O-CG2 3.2Å; Y417-V421 PolarHBondContact O-N 3.42Å; A419-V421 PolarHBondContact O-N 2.98Å; V421-R425 WeakPolarHBondContact O-CB 3.46Å; V421-R425 VanDerWaalsContact O-CG 3.22Å; V421-R425 WeakPolarHBondContact O-CG 3.47Å; V421-R425 PolarHBondContact O-N 3.34Å
422T93.2Very high90.7Very high92 Ų92100 Ų10056%0.56452%0.524SS*.Hα-helixtrans-66.5-44178.1-57.20000111.4K418 A419 A420 R425 A426K418-T422 WeakPolarHBondContact O-CB 3.41Å; K418-T422 PolarHBondContact O-N 3.04Å; K418-T422 PolarHBondContact O-OG1 3.47Å; A419-T422 WeakPolarHBondContact O-CB 3.47Å; A419-T422 PolarHBondContact O-N 3.47Å; A419-T422 VanDerWaalsContact O-N 3.12Å; A420-T422 VanDerWaalsContact C-N 3.28Å; A420-T422 PolarHBondContact O-N 3.15Å; T422-R425 PolarHBondContact O-N 3.32Å; T422-A426 WeakPolarHBondContact O-CB 3.39Å; T422-A426 PolarHBondContact O-N 3.49Å
423L91.1Very high90.8Very high128 Ų12899.7 Ų99.767%0.6752%0.52SS*.Hα-helixtrans-63.3-46.5175.1-74.8170.3000111.9A419 A420 R425 A426 A427A419-L423 PolarHBondContact O-N 3.34Å; A420-L423 PolarHBondContact O-N 2.94Å; L423-R425 VanDerWaalsContact C-N 3.33Å; L423-R425 PolarHBondContact O-N 3.28Å; L423-A426 WeakPolarHBondContact O-CB 3.35Å; L423-A426 PolarHBondContact O-N 3Å; L423-A426 VanDerWaalsContact O-N 3.13Å; L423-A427 WeakPolarHBondContact O-CB 3.36Å; L423-A427 PolarHBondContact O-N 3.34Å
424Q93.3Very high90.4Very high122 Ų12298.4 Ų98.457%0.5751%0.511SS*.Hα-helixtrans-57.8-45.5176.4-74.2172.1-900111.2A420 A426 A427 L428A420-Q424 WeakPolarHBondContact O-CB 3.41Å; A420-Q424 VanDerWaalsContact O-CG 3.26Å; A420-Q424 WeakPolarHBondContact O-CG 3.42Å; A420-Q424 PolarHBondContact O-N 3.05Å; Q424-A426 VanDerWaalsContact C-N 3.35Å; Q424-A426 PolarHBondContact O-N 3.22Å; Q424-A427 PolarHBondContact O-N 3.24Å; Q424-L428 WeakPolarHBondContact O-CG 3.43Å; Q424-L428 PolarHBondContact O-N 3.17Å
425R93.8Very high89.8Confident167 Ų167100.9 Ų100.963%0.6352%0.52SS*.Hα-helixtrans-62.5-39.8175.6-74172.8179.3-1710.3112.4V421 T422 L423 K429V421-R425 WeakPolarHBondContact O-CB 3.46Å; V421-R425 VanDerWaalsContact O-CG 3.22Å; V421-R425 WeakPolarHBondContact O-CG 3.47Å; V421-R425 PolarHBondContact O-N 3.34Å; T422-R425 PolarHBondContact O-N 3.32Å; L423-R425 VanDerWaalsContact C-N 3.33Å; L423-R425 PolarHBondContact O-N 3.28Å; R425-K429 WeakPolarHBondContact O-CG 3.48Å; R425-K429 PolarHBondContact O-N 3.46Å
426A90.9Very high89.2Confident55 Ų55104.3 Ų104.346%0.45553%0.528SS..Hα-helixtrans-65.8-43.517700000111.7T422 L423 Q424 K429 F430T422-A426 WeakPolarHBondContact O-CB 3.39Å; T422-A426 PolarHBondContact O-N 3.49Å; L423-A426 WeakPolarHBondContact O-CB 3.35Å; L423-A426 PolarHBondContact O-N 3Å; L423-A426 VanDerWaalsContact O-N 3.13Å; Q424-A426 VanDerWaalsContact C-N 3.35Å; Q424-A426 PolarHBondContact O-N 3.22Å; A426-K429 PolarHBondContact O-N 2.93Å; A426-F430 PolarHBondContact O-N 3.41Å
427A92.6Very high88.4Confident51 Ų51104 Ų10442%0.42153%0.525SS..Hα-helixtrans-62-45.517600000111.7L423 Q424 K429 F430 L431L423-A427 WeakPolarHBondContact O-CB 3.36Å; L423-A427 PolarHBondContact O-N 3.34Å; Q424-A427 PolarHBondContact O-N 3.24Å; A427-K429 VanDerWaalsContact C-N 3.33Å; A427-K429 PolarHBondContact O-N 2.94Å; A427-F430 WeakPolarHBondContact O-CB 3.33Å; A427-F430 PolarHBondContact O-N 3.14Å; A427-F430 VanDerWaalsContact O-N 3.16Å; A427-L431 WeakPolarHBondContact O-CG 3.3Å; A427-L431 PolarHBondContact O-N 2.9Å
428L92.8Very high87.2Confident120 Ų120104 Ų10463%0.62853%0.527SS*.Hα-helixtrans-60.6-41.1175.5-71.1172.3000112Q424 L431 A432Q424-L428 WeakPolarHBondContact O-CG 3.43Å; Q424-L428 PolarHBondContact O-N 3.17Å; L428-L431 PolarHBondContact O-N 3.42Å; L428-A432 WeakPolarHBondContact O-CB 3.34Å; L428-A432 PolarHBondContact O-N 3.38Å
429K90.9Very high85.7Confident162 Ų162104.8 Ų104.870%0.70453%0.531SS*.Hα-helixtrans-63.5-41.4173.6-77.1-179.8-178.8-1790112.3R425 A426 A427 A432 K433R425-K429 WeakPolarHBondContact O-CG 3.48Å; R425-K429 PolarHBondContact O-N 3.46Å; A426-K429 PolarHBondContact O-N 2.93Å; A427-K429 VanDerWaalsContact C-N 3.33Å; A427-K429 PolarHBondContact O-N 2.94Å; K429-A432 PolarHBondContact O-N 3.28Å; K429-K433 PolarHBondContact O-N 3.41Å
430F88Confident84.2Confident132 Ų132108.5 Ų108.558%0.57954%0.543SS*.Hα-helixtrans-63.4-47.3176.1173.3-100000111.5A426 A427 A432 K433 C434A426-F430 PolarHBondContact O-N 3.41Å; A427-F430 WeakPolarHBondContact O-CB 3.33Å; A427-F430 PolarHBondContact O-N 3.14Å; A427-F430 VanDerWaalsContact O-N 3.16Å; F430-A432 VanDerWaalsContact C-N 3.34Å; F430-A432 PolarHBondContact O-N 2.7Å; F430-K433 CarbonylContact O-C 3.59Å; F430-K433 WeakPolarHBondContact O-CA 3.38Å; F430-K433 WeakPolarHBondContact O-CB 3.29Å; F430-K433 PolarHBondContact O-N 2.94Å; F430-K433 VanDerWaalsContact O-N 3.08Å; F430-C434 WeakPolarHBondContact CZ-SG 3.37Å; F430-C434 PolarHBondContact O-N 3.25Å; F430-C434 PolarHBondContact O-SG 2.8Å
431L90.6Very high82.3Confident89 Ų89114 Ų11447%0.46656%0.56SS.*Hα-helixtrans-60.7-42.8176.5-70.2174.7000111.5A427 L428 K433 C434 H435A427-L431 WeakPolarHBondContact O-CG 3.3Å; A427-L431 PolarHBondContact O-N 2.9Å; L428-L431 PolarHBondContact O-N 3.42Å; L431-K433 VanDerWaalsContact C-N 3.31Å; L431-K433 PolarHBondContact O-N 3.44Å; L431-C434 PolarHBondContact O-N 3.34Å; L431-H435 PolarHBondContact O-CD2 3.29Å; L431-H435 VanDerWaalsContact O-CD2 3.22Å; L431-H435 PolarHBondContact O-N 2.94Å
432A88Confident80.1Confident52 Ų52116.1 Ų116.143%0.4357%0.573SS.*Hα-helixtrans-60.4-39.2173.600000112.4L428 K429 F430 H435 K436L428-A432 WeakPolarHBondContact O-CB 3.34Å; L428-A432 PolarHBondContact O-N 3.38Å; K429-A432 PolarHBondContact O-N 3.28Å; F430-A432 VanDerWaalsContact C-N 3.34Å; F430-A432 PolarHBondContact O-N 2.7Å; A432-H435 PolarHBondContact O-N 2.93Å; A432-K436 WeakPolarHBondContact O-CG 3.36Å; A432-K436 PolarHBondContact O-N 3.25Å
433K84.3Confident77.9Confident138 Ų138116.3 Ų116.360%0.658%0.578SS**Hα-helixtrans-65.2-42.2174-170.1179-177.3178.20111.6K429 F430 L431 K436 K437K429-K433 PolarHBondContact O-N 3.41Å; F430-K433 CarbonylContact O-C 3.59Å; F430-K433 WeakPolarHBondContact O-CA 3.38Å; F430-K433 WeakPolarHBondContact O-CB 3.29Å; F430-K433 PolarHBondContact O-N 2.94Å; F430-K433 VanDerWaalsContact O-N 3.08Å; L431-K433 VanDerWaalsContact C-N 3.31Å; L431-K433 PolarHBondContact O-N 3.44Å; K433-K436 PolarHBondContact O-N 2.92Å; K433-K437 PolarHBondContact O-N 2.9Å
434C79.9Confident75.8Confident48 Ų48120.2 Ų120.232%0.32458%0.584SS.*Hα-helixtrans-64.1-42.8174.6-70.90000112F430 L431 K436 K437 K438F430-C434 WeakPolarHBondContact CZ-SG 3.37Å; F430-C434 PolarHBondContact O-N 3.25Å; F430-C434 PolarHBondContact O-SG 2.8Å; L431-C434 PolarHBondContact O-N 3.34Å; C434-K436 PolarHBondContact O-N 3.05Å; C434-K437 PolarHBondContact O-N 2.89Å; C434-K438 WeakPolarHBondContact O-CB 3.45Å; C434-K438 PolarHBondContact O-N 2.86Å
435H78.1Confident73.4Confident126 Ų126124.4 Ų124.458%0.58360%0.595SS**Hα-helixtrans-63.5-38.8174.2-82.8-70.7000112.5L431 A432 K438 K439L431-H435 PolarHBondContact O-CD2 3.29Å; L431-H435 VanDerWaalsContact O-CD2 3.22Å; L431-H435 PolarHBondContact O-N 2.94Å; A432-H435 PolarHBondContact O-N 2.93Å; H435-K438 PolarHBondContact O-N 2.88Å; H435-K439 WeakPolarHBondContact O-CB 3.38Å; H435-K439 PolarHBondContact O-N 3.42Å
436K75.3Confident71.2Confident156 Ų156119.3 Ų119.368%0.67859%0.594SS**Hα-helixtrans-63.6-43.4172.6-76.9-176.9178.5-173.80112.2A432 K433 C434 K439 L440A432-K436 WeakPolarHBondContact O-CG 3.36Å; A432-K436 PolarHBondContact O-N 3.25Å; K433-K436 PolarHBondContact O-N 2.92Å; C434-K436 PolarHBondContact O-N 3.05Å; K436-K439 PolarHBondContact O-N 3.48Å; K436-L440 PolarHBondContact O-N 2.97Å; K436-L440 VanDerWaalsContact O-N 3.07Å
437K70.8Confident69.2Low127 Ų127122.6 Ų122.655%0.55260%0.603SS**Hα-helixtrans-61.6-45.7173-78.4-171.4172.8-1690111.7K433 C434 K439 L440 F441K433-K437 PolarHBondContact O-N 2.9Å; C434-K437 PolarHBondContact O-N 2.89Å; K437-K439 VanDerWaalsContact C-N 3.32Å; K437-K439 PolarHBondContact O-N 3.2Å; K437-L440 WeakPolarHBondContact O-CB 3.46Å; K437-L440 PolarHBondContact O-N 2.96Å; K437-F441 WeakPolarHBondContact O-CD2 3.27Å; K437-F441 PolarHBondContact O-N 3.48Å; K437-F441 VanDerWaalsContact O-N 3.08Å
438K65.9Low67.3Low154 Ų154129 Ų12967%0.6762%0.624SS**Hα-helixtrans-60-40.1174-107.3-177.4175.3-1790111.6C434 H435 L440 F441 T442C434-K438 WeakPolarHBondContact O-CB 3.45Å; C434-K438 PolarHBondContact O-N 2.86Å; H435-K438 PolarHBondContact O-N 2.88Å; K438-L440 PolarHBondContact O-N 3.39Å; K438-F441 CarbonylContact O-C 3.53Å; K438-F441 PolarHBondContact O-N 3.26Å; K438-F441 VanDerWaalsContact O-N 3.14Å; K438-T442 WeakPolarHBondContact O-CG2 3.3Å; K438-T442 PolarHBondContact O-N 2.9Å; K438-T442 PolarHBondContact O-OG1 3.3Å; K438-T442 VanDerWaalsContact O-OG1 3.12Å
439K63.3Low65.5Low163 Ų163129.6 Ų129.671%0.70962%0.624SS**Hα-helixtrans-60.2-41.3175.1-87.3-170175.7-1730113H435 K436 K437 F441 T442 S443H435-K439 WeakPolarHBondContact O-CB 3.38Å; H435-K439 PolarHBondContact O-N 3.42Å; K436-K439 PolarHBondContact O-N 3.48Å; K437-K439 VanDerWaalsContact C-N 3.32Å; K437-K439 PolarHBondContact O-N 3.2Å; K439-F441 VanDerWaalsContact C-N 3.34Å; K439-T442 VanDerWaalsContact CA-OG1 3.24Å; K439-T442 WeakPolarHBondContact CA-OG1 3.35Å; K439-T442 PolarHBondContact O-N 2.91Å; K439-T442 PolarHBondContact O-OG1 2.97Å; K439-S443 PolarHBondContact O-N 3.41Å
440L58.6Low63.9Low126 Ų126127.8 Ų127.866%0.6662%0.621SS**Hα-helixtrans-62.2-39.5173.1-73.3161.9000111.9K436 K437 K438 S443K436-L440 PolarHBondContact O-N 2.97Å; K436-L440 VanDerWaalsContact O-N 3.07Å; K437-L440 WeakPolarHBondContact O-CB 3.46Å; K437-L440 PolarHBondContact O-N 2.96Å; K438-L440 PolarHBondContact O-N 3.39Å; L440-S443 PolarHBondContact O-OG 3.3Å
441F51.7Low63.1Low157 Ų157125.7 Ų125.769%0.68962%0.62SS**Hα-helixtrans-75.4-29.4174.8-84.9-83000113.5K437 K438 K439 S443 W444K437-F441 WeakPolarHBondContact O-CD2 3.27Å; K437-F441 PolarHBondContact O-N 3.48Å; K437-F441 VanDerWaalsContact O-N 3.08Å; K438-F441 CarbonylContact O-C 3.53Å; K438-F441 PolarHBondContact O-N 3.26Å; K438-F441 VanDerWaalsContact O-N 3.14Å; K439-F441 VanDerWaalsContact C-N 3.34Å; F441-S443 PolarHBondContact O-N 3.45Å; F441-W444 VanDerWaalsContact O-CB 3.29Å; F441-W444 WeakPolarHBondContact O-CB 3.24Å; F441-W444 PolarHBondContact O-N 3.31Å; F441-W444 VanDerWaalsContact O-N 3.11Å
442T50.2Low62.1Low74 Ų74126.3 Ų126.345%0.45462%0.624SS.*THydrogen-bonded Turntrans-78.4-3.1174.553.30000113.8K438 K439 R445K438-T442 WeakPolarHBondContact O-CG2 3.3Å; K438-T442 PolarHBondContact O-N 2.9Å; K438-T442 PolarHBondContact O-OG1 3.3Å; K438-T442 VanDerWaalsContact O-OG1 3.12Å; K439-T442 VanDerWaalsContact CA-OG1 3.24Å; K439-T442 WeakPolarHBondContact CA-OG1 3.35Å; K439-T442 PolarHBondContact O-N 2.91Å; K439-T442 PolarHBondContact O-OG1 2.97Å; T442-R445 PolarHBondContact O-N 3.46Å
443S46Very low61.5Low96 Ų96127.3 Ų127.367%0.67163%0.632SS**THydrogen-bonded Turntrans-74.8-8.4163104.80000112K439 L440 F441 R445K439-S443 PolarHBondContact O-N 3.41Å; L440-S443 PolarHBondContact O-OG 3.3Å; F441-S443 PolarHBondContact O-N 3.45Å; S443-R445 PolarHBondContact O-N 3.09Å; S443-R445 VanDerWaalsContact O-N 3.1Å
444W46Very low61.1Low210 Ų210125.2 Ų125.280%0.79562%0.62SS**  trans-79.637.6163.2-74.461.8000111.7F441 G446F441-W444 VanDerWaalsContact O-CB 3.29Å; F441-W444 WeakPolarHBondContact O-CB 3.24Å; F441-W444 PolarHBondContact O-N 3.31Å; F441-W444 VanDerWaalsContact O-N 3.11Å; W444-G446 VanDerWaalsContact C-N 3.3Å; W444-G446 PolarHBondContact O-N 2.94Å; W444-G446 VanDerWaalsContact O-N 3.09Å
445R44.7Very low60.9Low210 Ų210130.6 Ų130.679%0.79263%0.634SS**SBendtrans-80.986.1169-165.7-173.3-56.7-106.11.9107T442 S443T442-R445 PolarHBondContact O-N 3.46Å; S443-R445 PolarHBondContact O-N 3.09Å; S443-R445 VanDerWaalsContact O-N 3.1Å
446G47.1Very low61Low60 Ų60128.7 Ų128.762%0.61963%0.63SS**  trans59.3106.4166.900000115.1W444 Q448W444-G446 VanDerWaalsContact C-N 3.3Å; W444-G446 PolarHBondContact O-N 2.94Å; W444-G446 VanDerWaalsContact O-N 3.09Å; G446-Q448 VanDerWaalsContact C-N 3.33Å; G446-Q448 PolarHBondContact O-N 2.88Å
447L47.7Very low61.3Low123 Ų123125.5 Ų125.564%0.64462%0.618SS**  trans-51.9104.1155.5-88.9146.8000107.6E449 L450L447-E449 PolarHBondContact O-N 3.36Å; L447-L450 HydrophobicContact CB-CD1 4.34Å; L447-L450 PolarHBondContact O-N 2.92Å
448Q52.5Low61.9Low185 Ų185123 Ų12386%0.86461%0.611SS**THydrogen-bonded Turntrans-64.20-179.1-163.4167.6-6.600112.5G446G446-Q448 VanDerWaalsContact C-N 3.33Å; G446-Q448 PolarHBondContact O-N 2.88Å
449E55Low62.6Low134 Ų134122.4 Ų122.463%0.62661%0.608SS**THydrogen-bonded Turntrans-103.7-2.2-175.8-60.1-172.116800114L447 T451 R454L447-E449 PolarHBondContact O-N 3.36Å; E449-T451 VanDerWaalsContact C-N 3.25Å; E449-T451 PolarHBondContact O-N 2.64Å; E449-R454 WeakPolarHBondContact O-CB 3.45Å; E449-R454 WeakPolarHBondContact O-CG 3.48Å
450L58.6Low63.6Low123 Ų123119.8 Ų119.864%0.64460%0.598SS**  trans-93.342.5173.1-86.5153.7000111.9L447L447-L450 HydrophobicContact CB-CD1 4.34Å; L447-L450 PolarHBondContact O-N 2.92Å
451T69.8Low64.8Low88 Ų88118.7 Ų118.754%0.5459%0.589SS.*  trans-65.1148.1165.9-15.10000108.9E449 A453 R454 R455E449-T451 VanDerWaalsContact C-N 3.25Å; E449-T451 PolarHBondContact O-N 2.64Å; T451-A453 PolarHBondContact O-N 2.94Å; T451-R454 PolarHBondContact O-N 3.33Å; T451-R455 PolarHBondContact O-N 3.31Å; T451-R455 VanDerWaalsContact O-N 3.13Å
452D71.2Confident66.3Low103 Ų103115.4 Ų115.455%0.55158%0.582SS**Hα-helixtrans-56.3-26.9178.3-85.2-25.8000112.7R455 V456D452-R455 WeakPolarHBondContact O-CB 3.37Å; D452-R455 PolarHBondContact O-N 2.92Å; D452-R455 IonicContact OD1-CZ 3.95Å; D452-R455 IonicContact OD1-NE 3.6Å; D452-R455 PolarHBondContact OD1-NE 3.47Å; D452-R455 IonicContact OD1-NH2 3.8Å; D452-R455 PolarHBondContact OD1-NH2 3.33Å; D452-V456 WeakPolarHBondContact O-CG2 3.5Å; D452-V456 PolarHBondContact O-N 2.88Å
453A74.7Confident67.7Low73 Ų73115.3 Ų115.360%0.60358%0.579SS**Hα-helixtrans-58.1-45.8169.900000112.9T451 V456 E457T451-A453 PolarHBondContact O-N 2.94Å; A453-V456 PolarHBondContact O-N 2.87Å; A453-E457 PolarHBondContact O-N 2.88Å
454R75.8Confident69.5Low93 Ų93113.2 Ų113.235%0.35156%0.56SS.*Hα-helixtrans-72.5-32178.4-171.958.3169.1-174.3-1.6112.2E449 T451 V456 E457 L458E449-R454 WeakPolarHBondContact O-CB 3.45Å; E449-R454 WeakPolarHBondContact O-CG 3.48Å; T451-R454 PolarHBondContact O-N 3.33Å; R454-V456 VanDerWaalsContact C-N 3.33Å; R454-E457 WeakPolarHBondContact CD-OE2 3.46Å; R454-E457 IonicContact CZ-OE2 3.63Å; R454-E457 IonicContact NE-OE2 3.52Å; R454-E457 IonicContact NH1-OE1 3.91Å; R454-E457 IonicContact NH1-OE2 2.69Å; R454-E457 PolarHBondContact NH1-OE2 3.39Å; R454-E457 PolarHBondContact O-N 3.48Å; R454-L458 HydrophobicContact CG-CD1 4.19Å; R454-L458 HydrophobicContact CG-CG 4.42Å; R454-L458 WeakPolarHBondContact O-CB 3.46Å; R454-L458 VanDerWaalsContact O-CG 3.29Å; R454-L458 WeakPolarHBondContact O-CG 3.29Å; R454-L458 PolarHBondContact O-N 2.89Å
455R75.4Confident71.1Confident162 Ų162110.1 Ų110.161%0.61155%0.55SS*.Hα-helixtrans-59.8-45.4170.8-172.4-154.5-59-112.83.3110.7T451 D452 K459T451-R455 PolarHBondContact O-N 3.31Å; T451-R455 VanDerWaalsContact O-N 3.13Å; D452-R455 WeakPolarHBondContact O-CB 3.37Å; D452-R455 PolarHBondContact O-N 2.92Å; D452-R455 IonicContact OD1-CZ 3.95Å; D452-R455 IonicContact OD1-NE 3.6Å; D452-R455 PolarHBondContact OD1-NE 3.47Å; D452-R455 IonicContact OD1-NH2 3.8Å; D452-R455 PolarHBondContact OD1-NH2 3.33Å; R455-K459 WeakPolarHBondContact O-CB 3.26Å; R455-K459 PolarHBondContact O-N 2.95Å
456V79.8Confident72.4Confident85 Ų85104.1 Ų104.152%0.51554%0.536SS..Hα-helixtrans-64.5-44.3176.4172.70000110.5D452 A453 R454 L458 K459 Q460D452-V456 WeakPolarHBondContact O-CG2 3.5Å; D452-V456 PolarHBondContact O-N 2.88Å; A453-V456 PolarHBondContact O-N 2.87Å; R454-V456 VanDerWaalsContact C-N 3.33Å; V456-L458 PolarHBondContact O-N 3.28Å; V456-K459 WeakPolarHBondContact O-CB 3.48Å; V456-K459 PolarHBondContact O-N 3.42Å; V456-Q460 WeakPolarHBondContact O-CB 3.28Å; V456-Q460 PolarHBondContact O-N 3.14Å
457E83.3Confident73.7Confident90 Ų90108.8 Ų108.842%0.42154%0.535SS..Hα-helixtrans-60.3-45.1178.3-139.7-178.2-173.300112.5A453 R454 Q460 Q461A453-E457 PolarHBondContact O-N 2.88Å; R454-E457 WeakPolarHBondContact CD-OE2 3.46Å; R454-E457 IonicContact CZ-OE2 3.63Å; R454-E457 IonicContact NE-OE2 3.52Å; R454-E457 IonicContact NH1-OE1 3.91Å; R454-E457 IonicContact NH1-OE2 2.69Å; R454-E457 PolarHBondContact NH1-OE2 3.39Å; R454-E457 PolarHBondContact O-N 3.48Å; E457-Q460 WeakPolarHBondContact O-CB 3.29Å; E457-Q460 PolarHBondContact O-N 3.06Å; E457-Q461 WeakPolarHBondContact O-CG 3.49Å; E457-Q461 PolarHBondContact O-N 3.42Å
458L81.9Confident75Confident75 Ų75111.9 Ų111.939%0.39354%0.538SS..Hα-helixtrans-65.9-38.7175.8-73.7169.5000111.6R454 V456 Q460 Q461 V462R454-L458 HydrophobicContact CG-CD1 4.19Å; R454-L458 HydrophobicContact CG-CG 4.42Å; R454-L458 WeakPolarHBondContact O-CB 3.46Å; R454-L458 VanDerWaalsContact O-CG 3.29Å; R454-L458 WeakPolarHBondContact O-CG 3.29Å; R454-L458 PolarHBondContact O-N 2.89Å; V456-L458 PolarHBondContact O-N 3.28Å; L458-Q460 VanDerWaalsContact C-N 3.29Å; L458-Q460 PolarHBondContact O-N 3.07Å; L458-Q461 PolarHBondContact O-N 3.34Å; L458-V462 WeakPolarHBondContact O-CG2 3.38Å; L458-V462 PolarHBondContact O-N 2.93Å
459K81.1Confident75.6Confident140 Ų140108.2 Ų108.261%0.60952%0.52SS*.Hα-helixtrans-62.6-40.6174.1-167.3174.5-178.2-178.50110.8R455 V456 V462 D463R455-K459 WeakPolarHBondContact O-CB 3.26Å; R455-K459 PolarHBondContact O-N 2.95Å; V456-K459 WeakPolarHBondContact O-CB 3.48Å; V456-K459 PolarHBondContact O-N 3.42Å; K459-V462 PolarHBondContact O-N 2.91Å; K459-D463 WeakPolarHBondContact O-CB 3.5Å; K459-D463 PolarHBondContact O-N 3.47Å
460Q84.6Confident76Confident108 Ų108108.8 Ų108.851%0.50553%0.527SS..Hα-helixtrans-65.5-39.4176.2-137158.87.600112V456 E457 L458 D463 D464V456-Q460 WeakPolarHBondContact O-CB 3.28Å; V456-Q460 PolarHBondContact O-N 3.14Å; E457-Q460 WeakPolarHBondContact O-CB 3.29Å; E457-Q460 PolarHBondContact O-N 3.06Å; L458-Q460 VanDerWaalsContact C-N 3.29Å; L458-Q460 PolarHBondContact O-N 3.07Å; Q460-D463 PolarHBondContact O-N 2.9Å; Q460-D464 WeakPolarHBondContact O-CB 3.46Å; Q460-D464 VanDerWaalsContact O-CG 3.32Å; Q460-D464 PolarHBondContact O-N 3.44Å
461Q84.4Confident76.2Confident103 Ų103105.7 Ų105.748%0.48153%0.525SS..Hα-helixtrans-64-39.8173.6-73.3176.97.600112.5E457 L458 Y465E457-Q461 WeakPolarHBondContact O-CG 3.49Å; E457-Q461 PolarHBondContact O-N 3.42Å; L458-Q461 PolarHBondContact O-N 3.34Å; Q461-Y465 VanDerWaalsContact O-CB 3.31Å; Q461-Y465 WeakPolarHBondContact O-CB 3.35Å; Q461-Y465 PolarHBondContact O-N 3.47Å
462V81.6Confident76Confident89 Ų89107 Ų10754%0.53954%0.538SS..Hα-helixtrans-66.4-46.1174.7171.80000110.4L458 K459 D464 Y465 V466L458-V462 WeakPolarHBondContact O-CG2 3.38Å; L458-V462 PolarHBondContact O-N 2.93Å; K459-V462 PolarHBondContact O-N 2.91Å; V462-D464 PolarHBondContact O-N 3.27Å; V462-Y465 WeakPolarHBondContact O-CB 3.5Å; V462-Y465 PolarHBondContact O-N 2.8Å; V462-V466 HydrophobicContact CG1-CG2 4.38Å; V462-V466 VanDerWaalsContact O-CG2 3.29Å; V462-V466 WeakPolarHBondContact O-CG2 3.31Å; V462-V466 PolarHBondContact O-N 2.87Å
463D80.6Confident75.4Confident71 Ų71108 Ų10838%0.3855%0.55SS.*Hα-helixtrans-62.8-41.7178.8-69.1-21.3000111.6K459 Q460 Y465 V466 R467K459-D463 WeakPolarHBondContact O-CB 3.5Å; K459-D463 PolarHBondContact O-N 3.47Å; Q460-D463 PolarHBondContact O-N 2.9Å; D463-Y465 VanDerWaalsContact C-N 3.34Å; D463-V466 PolarHBondContact O-N 3.34Å; D463-R467 WeakPolarHBondContact O-CG 3.37Å; D463-R467 PolarHBondContact O-N 3.45Å
464D84.1Confident74.8Confident53 Ų53110.6 Ų110.628%0.28355%0.551SS.*Hα-helixtrans-68-32.7175.6-77.4-12.8000112.6Q460 V462 R467 R468Q460-D464 WeakPolarHBondContact O-CB 3.46Å; Q460-D464 VanDerWaalsContact O-CG 3.32Å; Q460-D464 PolarHBondContact O-N 3.44Å; V462-D464 PolarHBondContact O-N 3.27Å; D464-R467 IonicContact OD1-CZ 2.95Å; D464-R467 VanDerWaalsContact OD1-CZ 3.29Å; D464-R467 IonicContact OD1-NH1 3.8Å; D464-R467 PolarHBondContact OD1-NH1 2.88Å; D464-R467 IonicContact OD1-NH2 3.52Å; D464-R467 PolarHBondContact OD1-NH2 2.84Å; D464-R468 WeakPolarHBondContact O-CB 3.45Å; D464-R468 VanDerWaalsContact O-CG 3.31Å; D464-R468 WeakPolarHBondContact O-CG 3.37Å; D464-R468 PolarHBondContact O-N 2.87Å; D464-R468 VanDerWaalsContact O-N 3.12Å; D464-R468 PolarHBondContact O-NE 3.23Å
465Y79.1Confident74.9Confident145 Ų145109.2 Ų109.257%0.56956%0.556SS**Hα-helixtrans-69.5-43.4173.7-176.1-92.1000111.3Q461 V462 D463 R468 H469Q461-Y465 VanDerWaalsContact O-CB 3.31Å; Q461-Y465 WeakPolarHBondContact O-CB 3.35Å; Q461-Y465 PolarHBondContact O-N 3.47Å; V462-Y465 WeakPolarHBondContact O-CB 3.5Å; V462-Y465 PolarHBondContact O-N 2.8Å; D463-Y465 VanDerWaalsContact C-N 3.34Å; Y465-R468 PolarHBondContact O-N 3.05Å; Y465-H469 AromaticContact CD1-ND1 3.96Å; Y465-H469 AromaticContact CD2-CE1 3.61Å; Y465-H469 AromaticContact CD2-ND1 3.64Å; Y465-H469 HydrophobicContact CE1-CB 4.49Å; Y465-H469 AromaticContact CE1-ND1 3.85Å; Y465-H469 AromaticContact CE2-CE1 3.26Å; Y465-H469 WeakPolarHBondContact CE2-CE1 3.31Å; Y465-H469 AromaticContact CE2-ND1 3.51Å; Y465-H469 AromaticContact CE2-NE2 3.97Å; Y465-H469 AromaticContact CG-ND1 3.86Å; Y465-H469 AromaticContact CZ-CE1 3.68Å; Y465-H469 AromaticContact CZ-ND1 3.62Å; Y465-H469 PolarHBondContact O-N 3.4Å; Y465-H469 PolarHBondContact O-ND1 2.99Å
466V71.8Confident74.9Confident83 Ų83106 Ų10650%0.50355%0.55SS.*Hα-helixtrans-63.5-40.5175.6171.30000111.1V462 D463 R468 H469 L470V462-V466 HydrophobicContact CG1-CG2 4.38Å; V462-V466 VanDerWaalsContact O-CG2 3.29Å; V462-V466 WeakPolarHBondContact O-CG2 3.31Å; V462-V466 PolarHBondContact O-N 2.87Å; D463-V466 PolarHBondContact O-N 3.34Å; V466-R468 VanDerWaalsContact C-N 3.32Å; V466-R468 PolarHBondContact O-N 3.23Å; V466-H469 CarbonylContact O-C 3.59Å; V466-H469 VanDerWaalsContact O-C 3.22Å; V466-H469 PolarHBondContact O-N 2.89Å; V466-L470 PolarHBondContact O-N 2.96Å
467R74.4Confident74.9Confident158 Ų158106 Ų10660%0.59655%0.55SS**Hα-helixtrans-63-37173.3-74.5-173.7-135.7135.611.2112.8D463 D464D463-R467 WeakPolarHBondContact O-CG 3.37Å; D463-R467 PolarHBondContact O-N 3.45Å; D464-R467 IonicContact OD1-CZ 2.95Å; D464-R467 VanDerWaalsContact OD1-CZ 3.29Å; D464-R467 IonicContact OD1-NH1 3.8Å; D464-R467 PolarHBondContact OD1-NH1 2.88Å; D464-R467 IonicContact OD1-NH2 3.52Å; D464-R467 PolarHBondContact OD1-NH2 2.84Å
468R75.2Confident74.8Confident189 Ų189104.5 Ų104.571%0.71355%0.548SS*.Hα-helixtrans-76-23.1177.7-76.8-177-107.1-177.7-9.3113.3D464 Y465 V466D464-R468 WeakPolarHBondContact O-CB 3.45Å; D464-R468 VanDerWaalsContact O-CG 3.31Å; D464-R468 WeakPolarHBondContact O-CG 3.37Å; D464-R468 PolarHBondContact O-N 2.87Å; D464-R468 VanDerWaalsContact O-N 3.12Å; D464-R468 PolarHBondContact O-NE 3.23Å; Y465-R468 PolarHBondContact O-N 3.05Å; V466-R468 VanDerWaalsContact C-N 3.32Å; V466-R468 PolarHBondContact O-N 3.23Å
469H65.2Low74.7Confident107 Ų107104 Ų10450%0.49555%0.55SS.*THydrogen-bonded Turntrans-12661.6-178.5-54.683.7000110.2Y465 V466 G471Y465-H469 AromaticContact CD1-ND1 3.96Å; Y465-H469 AromaticContact CD2-CE1 3.61Å; Y465-H469 AromaticContact CD2-ND1 3.64Å; Y465-H469 HydrophobicContact CE1-CB 4.49Å; Y465-H469 AromaticContact CE1-ND1 3.85Å; Y465-H469 AromaticContact CE2-CE1 3.26Å; Y465-H469 WeakPolarHBondContact CE2-CE1 3.31Å; Y465-H469 AromaticContact CE2-ND1 3.51Å; Y465-H469 AromaticContact CE2-NE2 3.97Å; Y465-H469 AromaticContact CG-ND1 3.86Å; Y465-H469 AromaticContact CZ-CE1 3.68Å; Y465-H469 AromaticContact CZ-ND1 3.62Å; Y465-H469 PolarHBondContact O-N 3.4Å; Y465-H469 PolarHBondContact O-ND1 2.99Å; V466-H469 CarbonylContact O-C 3.59Å; V466-H469 VanDerWaalsContact O-C 3.22Å; V466-H469 PolarHBondContact O-N 2.89Å; H469-G471 VanDerWaalsContact C-N 3.29Å; H469-G471 PolarHBondContact O-N 2.64Å
470L63.7Low75Confident147 Ų147105 Ų10577%0.7755%0.55SS**  trans-66.990.9170.3-79158000108.7V466V466-L470 PolarHBondContact O-N 2.96Å
471G61.8Low75.2Confident58 Ų58105 Ų10560%0.59855%0.55SS**  trans-59.3156.2162.300000109.9H469H469-G471 VanDerWaalsContact C-N 3.29Å; H469-G471 PolarHBondContact O-N 2.64Å
472S65.5Low75.3Confident116 Ų116104.1 Ų104.181%0.81155%0.548SS*.  trans-45.2125.8173.9-175.90000109.5M474S472-M474 PolarHBondContact O-N 3.31Å
473P59.9Low75.7Confident124 Ų124105.4 Ų105.481%0.80555%0.548SS*.  trans-64.698.7-175.924.6-31.6000108.5S475P473-S475 PolarHBondContact O-N 3.28Å
474M61.4Low76.3Confident126 Ų126104.7 Ų104.762%0.62155%0.552SS**  trans-62123.5161.9-105-166.8-73.100106.6S472 D476 V478 L482S472-M474 PolarHBondContact O-N 3.31Å; M474-D476 PolarHBondContact O-N 2.94Å; M474-V478 HydrophobicContact CG-CG1 4.23Å; M474-V478 HydrophobicContact SD-CG1 3.92Å; M474-L482 HydrophobicContact CE-CD1 4.37Å; M474-L482 HydrophobicContact SD-CD1 3.6Å
475S77.6Confident76.6Confident65 Ų65106.3 Ų106.346%0.45556%0.558SS.*  trans-51.9139.4172.51700000109.7P473 V477 V478 S479P473-S475 PolarHBondContact O-N 3.28Å; S475-V477 PolarHBondContact O-N 3.45Å; S475-V477 PolarHBondContact OG-N 3.2Å; S475-V478 WeakPolarHBondContact O-CB 3.44Å; S475-V478 PolarHBondContact O-N 3.36Å; S475-S479 PolarHBondContact O-N 2.92Å; S475-S479 VanDerWaalsContact O-N 3.09Å
476D76Confident77.1Confident93 Ų93102.1 Ų102.150%0.49755%0.553SS.*Hα-helixtrans-53.7-30.4178.1-171.217.2000111.5M474 S479 R480M474-D476 PolarHBondContact O-N 2.94Å; D476-S479 PolarHBondContact O-N 3.45Å; D476-R480 VanDerWaalsContact O-CG 3.27Å; D476-R480 WeakPolarHBondContact O-CG 3.35Å; D476-R480 PolarHBondContact O-N 3.06Å; D476-R480 IonicContact OD1-CZ 2.79Å; D476-R480 IonicContact OD1-NE 3.61Å; D476-R480 PolarHBondContact OD1-NE 3.36Å; D476-R480 VanDerWaalsContact OD1-NE 3.14Å; D476-R480 IonicContact OD1-NH2 3.14Å; D476-R480 IonicContact OD2-CZ 2.8Å; D476-R480 VanDerWaalsContact OD2-CZ 3.3Å; D476-R480 IonicContact OD2-NE 2.94Å; D476-R480 PolarHBondContact OD2-NE 3.21Å; D476-R480 IonicContact OD2-NH2 2.99Å; D476-R480 PolarHBondContact OD2-NH2 3.42Å
477V80.3Confident78.1Confident85 Ų85102.8 Ų102.852%0.51555%0.551SS.*Hα-helixtrans-62.3-47.8173.5-175.80000111.5S475 S479 R480 E481S475-V477 PolarHBondContact O-N 3.45Å; S475-V477 PolarHBondContact OG-N 3.2Å; V477-S479 VanDerWaalsContact C-N 3.34Å; V477-S479 PolarHBondContact O-N 2.9Å; V477-R480 PolarHBondContact O-N 3.43Å; V477-E481 WeakPolarHBondContact O-CG 3.31Å; V477-E481 PolarHBondContact O-N 3.03Å
478V79.8Confident79Confident60 Ų60100.5 Ų100.536%0.36455%0.547SS..Hα-helixtrans-67.8-35.6-179.3179.30000111.2M474 S475 E481 L482M474-V478 HydrophobicContact CG-CG1 4.23Å; M474-V478 HydrophobicContact SD-CG1 3.92Å; S475-V478 WeakPolarHBondContact O-CB 3.44Å; S475-V478 PolarHBondContact O-N 3.36Å; V478-E481 PolarHBondContact O-N 3.35Å; V478-L482 HydrophobicContact CG1-CD1 4.26Å; V478-L482 WeakPolarHBondContact O-CB 3.21Å; V478-L482 WeakPolarHBondContact O-CG 3.42Å; V478-L482 PolarHBondContact O-N 3.43Å
479S81.6Confident79.7Confident64 Ų64100.1 Ų100.145%0.44855%0.546SS..Hα-helixtrans-64.1-44.4175.2-177.60000112S475 D476 V477 L482 H483S475-S479 PolarHBondContact O-N 2.92Å; S475-S479 VanDerWaalsContact O-N 3.09Å; D476-S479 PolarHBondContact O-N 3.45Å; V477-S479 VanDerWaalsContact C-N 3.34Å; V477-S479 PolarHBondContact O-N 2.9Å; S479-L482 PolarHBondContact O-N 2.92Å; S479-H483 PolarHBondContact O-N 3.06Å
480R86.4Confident80.9Confident162 Ų16299.4 Ų99.461%0.61155%0.545SS*.Hα-helixtrans-67.2-39.8177.3-69174-162.8-175.5-0.2111.9D476 V477 H483 A484D476-R480 VanDerWaalsContact O-CG 3.27Å; D476-R480 WeakPolarHBondContact O-CG 3.35Å; D476-R480 PolarHBondContact O-N 3.06Å; D476-R480 IonicContact OD1-CZ 2.79Å; D476-R480 IonicContact OD1-NE 3.61Å; D476-R480 PolarHBondContact OD1-NE 3.36Å; D476-R480 VanDerWaalsContact OD1-NE 3.14Å; D476-R480 IonicContact OD1-NH2 3.14Å; D476-R480 IonicContact OD2-CZ 2.8Å; D476-R480 VanDerWaalsContact OD2-CZ 3.3Å; D476-R480 IonicContact OD2-NE 2.94Å; D476-R480 PolarHBondContact OD2-NE 3.21Å; D476-R480 IonicContact OD2-NH2 2.99Å; D476-R480 PolarHBondContact OD2-NH2 3.42Å; V477-R480 PolarHBondContact O-N 3.43Å; R480-H483 PolarHBondContact O-N 2.96Å; R480-A484 WeakPolarHBondContact O-CB 3.43Å; R480-A484 PolarHBondContact O-N 2.87Å
481E89.3Confident82.1Confident107 Ų10798.4 Ų98.450%0.554%0.536SS..Hα-helixtrans-62.3-44.9174.3-76.8174.6-176.900111.8V477 V478 H483 A484 Q485V477-E481 WeakPolarHBondContact O-CG 3.31Å; V477-E481 PolarHBondContact O-N 3.03Å; V478-E481 PolarHBondContact O-N 3.35Å; E481-H483 VanDerWaalsContact C-N 3.31Å; E481-H483 PolarHBondContact O-N 3.18Å; E481-A484 PolarHBondContact O-N 3.19Å; E481-Q485 WeakPolarHBondContact O-CB 3.47Å; E481-Q485 VanDerWaalsContact O-CG 3.31Å; E481-Q485 WeakPolarHBondContact O-CG 3.43Å; E481-Q485 PolarHBondContact O-N 2.98Å
482L86.9Confident83.3Confident85 Ų85100.7 Ų100.745%0.44553%0.532SS..Hα-helixtrans-61.6-39.6174.8-79170.4000112.2M474 V478 S479 Q485 A486M474-L482 HydrophobicContact CE-CD1 4.37Å; M474-L482 HydrophobicContact SD-CD1 3.6Å; V478-L482 HydrophobicContact CG1-CD1 4.26Å; V478-L482 WeakPolarHBondContact O-CB 3.21Å; V478-L482 WeakPolarHBondContact O-CG 3.42Å; V478-L482 PolarHBondContact O-N 3.43Å; S479-L482 PolarHBondContact O-N 2.92Å; L482-Q485 PolarHBondContact O-N 3.12Å; L482-A486 WeakPolarHBondContact O-CB 3.36Å; L482-A486 PolarHBondContact O-N 3.39Å
483H89.8Confident84.3Confident116 Ų116102 Ų10254%0.53752%0.519SS..Hα-helixtrans-65.4-42.9176.2-166.471.7000111.8S479 R480 E481 A486 Q487S479-H483 PolarHBondContact O-N 3.06Å; R480-H483 PolarHBondContact O-N 2.96Å; E481-H483 VanDerWaalsContact C-N 3.31Å; E481-H483 PolarHBondContact O-N 3.18Å; H483-A486 PolarHBondContact O-N 3.38Å; H483-Q487 PolarHBondContact CD2-NE2 3.08Å; H483-Q487 PolarHBondContact NE2-NE2 3.5Å; H483-Q487 WeakPolarHBondContact O-CG 3.48Å; H483-Q487 PolarHBondContact O-N 3.27Å
484A92.1Very high85.5Confident56 Ų56101.3 Ų101.346%0.46350%0.504SS..Hα-helixtrans-61.7-46.3175.500000111.4R480 E481 A486 Q487 E488R480-A484 WeakPolarHBondContact O-CB 3.43Å; R480-A484 PolarHBondContact O-N 2.87Å; E481-A484 PolarHBondContact O-N 3.19Å; A484-A486 VanDerWaalsContact C-N 3.32Å; A484-A486 PolarHBondContact O-N 3.46Å; A484-Q487 PolarHBondContact O-N 2.85Å; A484-E488 WeakPolarHBondContact O-CB 3.45Å; A484-E488 PolarHBondContact O-N 3.34Å
485Q90.9Very high86.6Confident86 Ų86101.1 Ų101.140%0.40250%0.503SS..Hα-helixtrans-61.5-38.7175.8-72.5177.214.700112.3E481 L482 E488 R489E481-Q485 WeakPolarHBondContact O-CB 3.47Å; E481-Q485 VanDerWaalsContact O-CG 3.31Å; E481-Q485 WeakPolarHBondContact O-CG 3.43Å; E481-Q485 PolarHBondContact O-N 2.98Å; L482-Q485 PolarHBondContact O-N 3.12Å; Q485-E488 PolarHBondContact O-N 2.9Å; Q485-R489 WeakPolarHBondContact O-CB 3.49Å; Q485-R489 VanDerWaalsContact O-CG 3.28Å; Q485-R489 WeakPolarHBondContact O-CG 3.46Å; Q485-R489 PolarHBondContact O-N 3.21Å
486A90.7Very high86.9Confident57 Ų5799.6 Ų99.647%0.47150%0.498SS..Hα-helixtrans-66.3-40.9176.100000111.9L482 H483 A484 L490L482-A486 WeakPolarHBondContact O-CB 3.36Å; L482-A486 PolarHBondContact O-N 3.39Å; H483-A486 PolarHBondContact O-N 3.38Å; A484-A486 VanDerWaalsContact C-N 3.32Å; A484-A486 PolarHBondContact O-N 3.46Å; A486-L490 WeakPolarHBondContact O-CB 3.45Å; A486-L490 PolarHBondContact O-N 3.48Å
487Q92.2Very high87.5Confident98 Ų98100.3 Ų100.346%0.45849%0.493SS..Hα-helixtrans-65.6-41.7175.3-72.9-168.72.900112H483 A484 L490 Q491H483-Q487 PolarHBondContact CD2-NE2 3.08Å; H483-Q487 PolarHBondContact NE2-NE2 3.5Å; H483-Q487 WeakPolarHBondContact O-CG 3.48Å; H483-Q487 PolarHBondContact O-N 3.27Å; A484-Q487 PolarHBondContact O-N 2.85Å; Q487-L490 WeakPolarHBondContact O-CB 3.44Å; Q487-L490 PolarHBondContact O-N 2.86Å; Q487-Q491 WeakPolarHBondContact O-CG 3.27Å; Q487-Q491 PolarHBondContact O-N 3.04Å
488E92.9Very high87.5Confident110 Ų11098 Ų9851%0.51448%0.483SS..Hα-helixtrans-62-46.4176.8-172-179.8-169.800111.4A484 Q485 L490 Q491 H492A484-E488 WeakPolarHBondContact O-CB 3.45Å; A484-E488 PolarHBondContact O-N 3.34Å; Q485-E488 PolarHBondContact O-N 2.9Å; E488-L490 VanDerWaalsContact C-N 3.29Å; E488-L490 PolarHBondContact O-N 2.98Å; E488-Q491 WeakPolarHBondContact O-CB 3.5Å; E488-Q491 PolarHBondContact O-N 3.4Å; E488-Q491 VanDerWaalsContact O-N 3.17Å; E488-H492 PolarHBondContact O-CD2 3.24Å; E488-H492 VanDerWaalsContact O-CD2 3.28Å; E488-H492 PolarHBondContact O-N 3.27Å
489R90.6Very high87.7Confident180 Ų18099.4 Ų99.468%0.67949%0.492SS*.Hα-helixtrans-59.9-39174.7-73.4176.5-175.4-168.73.3112.5Q485 H492 Y493Q485-R489 WeakPolarHBondContact O-CB 3.49Å; Q485-R489 VanDerWaalsContact O-CG 3.28Å; Q485-R489 WeakPolarHBondContact O-CG 3.46Å; Q485-R489 PolarHBondContact O-N 3.21Å; R489-H492 PolarHBondContact O-N 3.45Å; R489-Y493 PolarHBondContact O-N 3.46Å
490L90.6Very high87.9Confident93 Ų93102.8 Ų102.849%0.48750%0.501SS..Hα-helixtrans-66.7-40.4176.9-175.368.8000111.6A486 Q487 E488 Y493 F494A486-L490 WeakPolarHBondContact O-CB 3.45Å; A486-L490 PolarHBondContact O-N 3.48Å; Q487-L490 WeakPolarHBondContact O-CB 3.44Å; Q487-L490 PolarHBondContact O-N 2.86Å; E488-L490 VanDerWaalsContact C-N 3.29Å; E488-L490 PolarHBondContact O-N 2.98Å; L490-Y493 WeakPolarHBondContact O-CB 3.35Å; L490-Y493 PolarHBondContact O-N 2.85Å; L490-F494 HydrophobicContact CD1-CD2 4.33Å; L490-F494 HydrophobicContact CD1-CE2 3.73Å; L490-F494 HydrophobicContact CD1-CZ 4.22Å; L490-F494 HydrophobicContact CD2-CE2 3.98Å; L490-F494 HydrophobicContact CG-CD2 3.97Å; L490-F494 HydrophobicContact CG-CE2 3.56Å; L490-F494 HydrophobicContact CG-CZ 4.5Å; L490-F494 WeakPolarHBondContact O-CD2 3.37Å; L490-F494 PolarHBondContact O-N 3.33Å
491Q88.7Confident87.8Confident125 Ų12599.1 Ų99.158%0.58449%0.491SS*.Hα-helixtrans-62.9-45.8174.7-72.41775.100111.4Q487 E488 Y493 F494 M495Q487-Q491 WeakPolarHBondContact O-CG 3.27Å; Q487-Q491 PolarHBondContact O-N 3.04Å; E488-Q491 WeakPolarHBondContact O-CB 3.5Å; E488-Q491 PolarHBondContact O-N 3.4Å; E488-Q491 VanDerWaalsContact O-N 3.17Å; Q491-Y493 VanDerWaalsContact C-N 3.29Å; Q491-Y493 PolarHBondContact O-N 3.49Å; Q491-F494 PolarHBondContact O-N 3.31Å; Q491-F494 VanDerWaalsContact O-N 3.15Å; Q491-M495 WeakPolarHBondContact O-CG 3.34Å; Q491-M495 PolarHBondContact O-N 2.83Å
492H86.4Confident87.7Confident107 Ų107102.3 Ų102.350%0.49550%0.498SS..Hα-helixtrans-56.5-42.5174.1-84-69000112.7E488 R489 M495 G496E488-H492 PolarHBondContact O-CD2 3.24Å; E488-H492 VanDerWaalsContact O-CD2 3.28Å; E488-H492 PolarHBondContact O-N 3.27Å; R489-H492 PolarHBondContact O-N 3.45Å; H492-M495 PolarHBondContact O-N 2.99Å; H492-G496 PolarHBondContact O-N 2.67Å
493Y86.9Confident87.6Confident142 Ų142100.3 Ų100.356%0.55749%0.493SS*.Hα-helixtrans-60.6-46.1175.5175-100.5000112.2R489 L490 Q491 M495 G496 R497R489-Y493 PolarHBondContact O-N 3.46Å; L490-Y493 WeakPolarHBondContact O-CB 3.35Å; L490-Y493 PolarHBondContact O-N 2.85Å; Q491-Y493 VanDerWaalsContact C-N 3.29Å; Q491-Y493 PolarHBondContact O-N 3.49Å; Y493-M495 VanDerWaalsContact C-N 3.35Å; Y493-M495 PolarHBondContact O-N 3.17Å; Y493-G496 PolarHBondContact O-N 3.01Å; Y493-R497 WeakPolarHBondContact O-CB 3.36Å; Y493-R497 PolarHBondContact O-N 3.42Å
494F84.5Confident87.7Confident110 Ų11099.1 Ų99.148%0.48249%0.488SS..Hα-helixtrans-65.1-36.8177.6-75.1-56000113L490 Q491 R497 A498L490-F494 HydrophobicContact CD1-CD2 4.33Å; L490-F494 HydrophobicContact CD1-CE2 3.73Å; L490-F494 HydrophobicContact CD1-CZ 4.22Å; L490-F494 HydrophobicContact CD2-CE2 3.98Å; L490-F494 HydrophobicContact CG-CD2 3.97Å; L490-F494 HydrophobicContact CG-CE2 3.56Å; L490-F494 HydrophobicContact CG-CZ 4.5Å; L490-F494 WeakPolarHBondContact O-CD2 3.37Å; L490-F494 PolarHBondContact O-N 3.33Å; Q491-F494 PolarHBondContact O-N 3.31Å; Q491-F494 VanDerWaalsContact O-N 3.15Å; F494-R497 PolarHBondContact O-N 3Å; F494-A498 PolarHBondContact O-N 3.33Å; F494-A498 VanDerWaalsContact O-N 3.17Å
495M84.3Confident87.6Confident122 Ų122102.5 Ų102.560%0.60150%0.495SS*.Hα-helixtrans-64.3-44.3174.4-66.6-159.6-45.500112Q491 H492 Y493 A498Q491-M495 WeakPolarHBondContact O-CG 3.34Å; Q491-M495 PolarHBondContact O-N 2.83Å; H492-M495 PolarHBondContact O-N 2.99Å; Y493-M495 VanDerWaalsContact C-N 3.35Å; Y493-M495 PolarHBondContact O-N 3.17Å; M495-A498 PolarHBondContact O-N 3.08Å
496G85Confident87.4Confident33 Ų33104.4 Ų104.434%0.3450%0.503SS..Hα-helixtrans-62.1-43.8176.300000112.3H492 Y493 A498 V499 E500H492-G496 PolarHBondContact O-N 2.67Å; Y493-G496 PolarHBondContact O-N 3.01Å; G496-A498 VanDerWaalsContact C-N 3.32Å; G496-A498 PolarHBondContact O-N 2.95Å; G496-V499 WeakPolarHBondContact O-CB 3.44Å; G496-V499 PolarHBondContact O-N 2.89Å; G496-V499 VanDerWaalsContact O-N 3.11Å; G496-E500 PolarHBondContact O-N 3.44Å; G496-E500 VanDerWaalsContact O-N 3.07Å
497R87.6Confident87.2Confident108 Ų108109.2 Ų109.241%0.40851%0.509SS..Hα-helixtrans-59.6-39.6178.5-174.8-179.8168.2-169.2-5113Y493 F494 V499 E500 E501Y493-R497 WeakPolarHBondContact O-CB 3.36Å; Y493-R497 PolarHBondContact O-N 3.42Å; F494-R497 PolarHBondContact O-N 3Å; R497-V499 VanDerWaalsContact C-N 3.27Å; R497-V499 PolarHBondContact O-N 3.5Å; R497-E500 PolarHBondContact O-N 3.48Å; R497-E501 HydrophobicContact CG-CG 4.36Å; R497-E501 IonicContact CZ-OE1 3.93Å; R497-E501 IonicContact NE-OE1 3.29Å; R497-E501 PolarHBondContact NE-OE1 2.89Å; R497-E501 IonicContact NH2-OE1 3.48Å; R497-E501 PolarHBondContact NH2-OE1 2.82Å; R497-E501 WeakPolarHBondContact O-CB 3.49Å; R497-E501 WeakPolarHBondContact O-CG 3.49Å; R497-E501 PolarHBondContact O-N 3.31Å
498A80.3Confident87Confident37 Ų37109.8 Ų109.831%0.30651%0.512SS..Hα-helixtrans-63.5-33.7178.100000112.5F494 M495 G496 R502F494-A498 PolarHBondContact O-N 3.33Å; F494-A498 VanDerWaalsContact O-N 3.17Å; M495-A498 PolarHBondContact O-N 3.08Å; G496-A498 VanDerWaalsContact C-N 3.32Å; G496-A498 PolarHBondContact O-N 2.95Å; A498-R502 WeakPolarHBondContact O-CG 3.5Å; A498-R502 PolarHBondContact O-N 3.43Å
499V84.9Confident86.8Confident90 Ų90107.5 Ų107.555%0.54551%0.512SS..Hα-helixtrans-70.8-44174.9178.10000110.6G496 R497 E501 R502 A503G496-V499 WeakPolarHBondContact O-CB 3.44Å; G496-V499 PolarHBondContact O-N 2.89Å; G496-V499 VanDerWaalsContact O-N 3.11Å; R497-V499 VanDerWaalsContact C-N 3.27Å; R497-V499 PolarHBondContact O-N 3.5Å; V499-E501 PolarHBondContact O-N 3.26Å; V499-R502 PolarHBondContact O-N 2.83Å; V499-A503 PolarHBondContact O-N 2.89Å
500E84.7Confident86.5Confident134 Ų134101.9 Ų101.963%0.62650%0.495SS*.Hα-helixtrans-60.5-43.4175.9-69.1175.8176.700112.1G496 R497 R502 A503 Q504G496-E500 PolarHBondContact O-N 3.44Å; G496-E500 VanDerWaalsContact O-N 3.07Å; R497-E500 PolarHBondContact O-N 3.48Å; E500-R502 PolarHBondContact O-N 3.31Å; E500-A503 PolarHBondContact O-N 3.4Å; E500-Q504 WeakPolarHBondContact O-CB 3.32Å; E500-Q504 PolarHBondContact O-N 3.13Å
501E85.3Confident86.1Confident86 Ų86103 Ų10340%0.40250%0.499SS..Hα-helixtrans-62.6-40.6177.6-76.2178.9176.700111.8R497 V499 Q504 Q505R497-E501 HydrophobicContact CG-CG 4.36Å; R497-E501 IonicContact CZ-OE1 3.93Å; R497-E501 IonicContact NE-OE1 3.29Å; R497-E501 PolarHBondContact NE-OE1 2.89Å; R497-E501 IonicContact NH2-OE1 3.48Å; R497-E501 PolarHBondContact NH2-OE1 2.82Å; R497-E501 WeakPolarHBondContact O-CB 3.49Å; R497-E501 WeakPolarHBondContact O-CG 3.49Å; R497-E501 PolarHBondContact O-N 3.31Å; V499-E501 PolarHBondContact O-N 3.26Å; E501-Q504 PolarHBondContact O-N 2.86Å; E501-Q505 VanDerWaalsContact O-CG 3.3Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.45Å
502R86.9Confident86Confident174 Ų17499.7 Ų99.766%0.65749%0.493SS*.Hα-helixtrans-65-42.8174-71.8176.2-166.4149.23.7112.2A498 V499 E500 Q504 Q505 H506A498-R502 WeakPolarHBondContact O-CG 3.5Å; A498-R502 PolarHBondContact O-N 3.43Å; V499-R502 PolarHBondContact O-N 2.83Å; E500-R502 PolarHBondContact O-N 3.31Å; R502-Q504 VanDerWaalsContact C-N 3.27Å; R502-Q504 PolarHBondContact O-N 3.47Å; R502-Q505 PolarHBondContact O-N 3.12Å; R502-H506 WeakPolarHBondContact O-CB 3.43Å; R502-H506 PolarHBondContact O-N 3.43Å
503A85.4Confident85.8Confident42 Ų4298.7 Ų98.735%0.34749%0.488SS..Hα-helixtrans-63.3-37.3176.500000111.5V499 E500 H506 R507V499-A503 PolarHBondContact O-N 2.89Å; E500-A503 PolarHBondContact O-N 3.4Å; A503-H506 PolarHBondContact O-N 3.26Å; A503-R507 WeakPolarHBondContact O-CG 3.4Å; A503-R507 PolarHBondContact O-N 3.14Å
504Q90.1Very high85.7Confident92 Ų9295.8 Ų95.843%0.4348%0.482SS..Hα-helixtrans-67.8-46.5176.4-176.159.522.200111.8E500 E501 R502 H506 R507 E508E500-Q504 WeakPolarHBondContact O-CB 3.32Å; E500-Q504 PolarHBondContact O-N 3.13Å; E501-Q504 PolarHBondContact O-N 2.86Å; R502-Q504 VanDerWaalsContact C-N 3.27Å; R502-Q504 PolarHBondContact O-N 3.47Å; Q504-H506 VanDerWaalsContact C-N 3.27Å; Q504-H506 PolarHBondContact O-N 3.41Å; Q504-R507 WeakPolarHBondContact O-CB 3.43Å; Q504-R507 PolarHBondContact O-N 3.32Å; Q504-R507 VanDerWaalsContact O-N 3.16Å; Q504-E508 PolarHBondContact NE2-OE1 3.26Å; Q504-E508 WeakPolarHBondContact O-CG 3.43Å; Q504-E508 PolarHBondContact O-N 3.26Å
505Q90.3Very high85.7Confident127 Ų12793.4 Ų93.459%0.59348%0.479SS*.Hα-helixtrans-58.8-40.2174.1-73.7172.73.600111.9E501 R502 E508 A509E501-Q505 VanDerWaalsContact O-CG 3.3Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.45Å; R502-Q505 PolarHBondContact O-N 3.12Å; Q505-E508 PolarHBondContact O-N 2.84Å; Q505-A509 WeakPolarHBondContact O-CB 3.48Å; Q505-A509 PolarHBondContact O-N 3.39Å
506H87.7Confident85.7Confident126 Ų12691 Ų9158%0.58347%0.471SS*.Hα-helixtrans-62.8-44.6175.3-177.369000112.1R502 A503 Q504 E508 A509 L510R502-H506 WeakPolarHBondContact O-CB 3.43Å; R502-H506 PolarHBondContact O-N 3.43Å; A503-H506 PolarHBondContact O-N 3.26Å; Q504-H506 VanDerWaalsContact C-N 3.27Å; Q504-H506 PolarHBondContact O-N 3.41Å; H506-E508 PolarHBondContact O-N 2.86Å; H506-A509 PolarHBondContact O-N 2.82Å; H506-L510 WeakPolarHBondContact O-CB 3.35Å; H506-L510 PolarHBondContact O-N 3.47Å
507R85.5Confident85.5Confident157 Ų15792.6 Ų92.659%0.59247%0.472SS*.Hα-helixtrans-60.6-43.6174.5-77.7-174.5176.6106.51.7112.1A503 Q504 L510 M511A503-R507 WeakPolarHBondContact O-CG 3.4Å; A503-R507 PolarHBondContact O-N 3.14Å; Q504-R507 WeakPolarHBondContact O-CB 3.43Å; Q504-R507 PolarHBondContact O-N 3.32Å; Q504-R507 VanDerWaalsContact O-N 3.16Å; R507-L510 PolarHBondContact O-N 3.32Å; R507-M511 WeakPolarHBondContact O-CB 3.47Å; R507-M511 VanDerWaalsContact O-CG 3.29Å; R507-M511 WeakPolarHBondContact O-CG 3.47Å; R507-M511 PolarHBondContact O-N 2.97Å
508E89.4Confident85.4Confident111 Ų11191 Ų9152%0.51947%0.474SS..Hα-helixtrans-64-43179-73.6171.8-17000111.8Q504 Q505 H506 L510 M511 A512Q504-E508 PolarHBondContact NE2-OE1 3.26Å; Q504-E508 WeakPolarHBondContact O-CG 3.43Å; Q504-E508 PolarHBondContact O-N 3.26Å; Q505-E508 PolarHBondContact O-N 2.84Å; H506-E508 PolarHBondContact O-N 2.86Å; E508-L510 VanDerWaalsContact C-N 3.35Å; E508-L510 PolarHBondContact O-N 2.75Å; E508-M511 PolarHBondContact O-N 3.45Å; E508-A512 PolarHBondContact O-N 3.42Å
509A88Confident85.6Confident62 Ų6294.7 Ų94.751%0.51249%0.485SS..Hα-helixtrans-61.5-42.4174.200000111.9Q505 H506 A512 Q513Q505-A509 WeakPolarHBondContact O-CB 3.48Å; Q505-A509 PolarHBondContact O-N 3.39Å; H506-A509 PolarHBondContact O-N 2.82Å; A509-A512 PolarHBondContact O-N 3.11Å; A509-Q513 PolarHBondContact O-N 3.35Å
510L83.6Confident85.4Confident61 Ų6194.6 Ų94.632%0.31948%0.478SS..Hα-helixtrans-63.6-43.6176.4-173.770.2000111.6H506 R507 E508 A512 Q513 I514H506-L510 WeakPolarHBondContact O-CB 3.35Å; H506-L510 PolarHBondContact O-N 3.47Å; R507-L510 PolarHBondContact O-N 3.32Å; E508-L510 VanDerWaalsContact C-N 3.35Å; E508-L510 PolarHBondContact O-N 2.75Å; L510-A512 VanDerWaalsContact C-N 3.32Å; L510-A512 PolarHBondContact O-N 2.99Å; L510-Q513 WeakPolarHBondContact O-CB 3.45Å; L510-Q513 PolarHBondContact O-N 3.29Å; L510-I514 HydrophobicContact CG-CD1 4.1Å; L510-I514 WeakPolarHBondContact O-CG1 3.41Å; L510-I514 PolarHBondContact O-N 3.43Å
511M82.5Confident85.3Confident117 Ų11793.5 Ų93.558%0.57648%0.476SS*.Hα-helixtrans-62.3-39.8176.7-73.7-62.8-64.200112.1R507 E508 I514 S515R507-M511 WeakPolarHBondContact O-CB 3.47Å; R507-M511 VanDerWaalsContact O-CG 3.29Å; R507-M511 WeakPolarHBondContact O-CG 3.47Å; R507-M511 PolarHBondContact O-N 2.97Å; E508-M511 PolarHBondContact O-N 3.45Å; M511-I514 PolarHBondContact O-N 2.85Å; M511-S515 WeakPolarHBondContact O-CB 3.45Å; M511-S515 PolarHBondContact O-N 2.99Å; M511-S515 PolarHBondContact O-OG 3.19Å
512A86.9Confident85Confident55 Ų5596.8 Ų96.846%0.45549%0.494SS..Hα-helixtrans-64.6-41.2174.600000111.6E508 A509 L510 S515 T516E508-A512 PolarHBondContact O-N 3.42Å; A509-A512 PolarHBondContact O-N 3.11Å; L510-A512 VanDerWaalsContact C-N 3.32Å; L510-A512 PolarHBondContact O-N 2.99Å; A512-S515 PolarHBondContact O-N 3.47Å; A512-T516 PolarHBondContact O-N 3.37Å; A512-T516 PolarHBondContact O-OG1 3.08Å
513Q82.9Confident84.7Confident86 Ų8696 Ų9640%0.40250%0.495SS..Hα-helixtrans-62.7-47.7175.6-175-178.5-200111.8A509 L510 S515 T516 N517A509-Q513 PolarHBondContact O-N 3.35Å; L510-Q513 WeakPolarHBondContact O-CB 3.45Å; L510-Q513 PolarHBondContact O-N 3.29Å; Q513-S515 VanDerWaalsContact C-N 3.32Å; Q513-S515 PolarHBondContact O-N 2.91Å; Q513-T516 PolarHBondContact O-N 3.08Å; Q513-N517 VanDerWaalsContact O-CG 3.28Å; Q513-N517 PolarHBondContact O-N 3.29Å; Q513-N517 PolarHBondContact O-OD1 3.19Å
514I83.3Confident84.4Confident81 Ų8196.5 Ų96.542%0.41550%0.499SS..Hα-helixtrans-59.5-45.8176.9-68.7167.7000110.2L510 M511 T516 N517 V518L510-I514 HydrophobicContact CG-CD1 4.1Å; L510-I514 WeakPolarHBondContact O-CG1 3.41Å; L510-I514 PolarHBondContact O-N 3.43Å; M511-I514 PolarHBondContact O-N 2.85Å; I514-T516 VanDerWaalsContact C-N 3.3Å; I514-T516 PolarHBondContact O-N 3.16Å; I514-N517 PolarHBondContact O-N 2.97Å; I514-V518 HydrophobicContact CG2-CG2 4.28Å; I514-V518 WeakPolarHBondContact O-CG2 3.44Å; I514-V518 PolarHBondContact O-N 2.84Å
515S84.8Confident83.7Confident60 Ų6094.4 Ų94.442%0.4249%0.493SS..Hα-helixtrans-60-41.8178.9-570000111.6M511 A512 Q513 V518 E519M511-S515 WeakPolarHBondContact O-CB 3.45Å; M511-S515 PolarHBondContact O-N 2.99Å; M511-S515 PolarHBondContact O-OG 3.19Å; A512-S515 PolarHBondContact O-N 3.47Å; Q513-S515 VanDerWaalsContact C-N 3.32Å; Q513-S515 PolarHBondContact O-N 2.91Å; S515-V518 PolarHBondContact O-N 3.25Å; S515-E519 WeakPolarHBondContact O-CG 3.44Å; S515-E519 PolarHBondContact O-N 3.48Å
516T84.9Confident82.9Confident72 Ų7291.1 Ų91.144%0.44248%0.484SS..Hα-helixtrans-63.7-44.3176.2-51.90000111.5A512 Q513 I514 V518 E519 Q520A512-T516 PolarHBondContact O-N 3.37Å; A512-T516 PolarHBondContact O-OG1 3.08Å; Q513-T516 PolarHBondContact O-N 3.08Å; I514-T516 VanDerWaalsContact C-N 3.3Å; I514-T516 PolarHBondContact O-N 3.16Å; T516-V518 VanDerWaalsContact C-N 3.35Å; T516-V518 PolarHBondContact O-N 2.96Å; T516-E519 PolarHBondContact O-N 3.43Å; T516-Q520 WeakPolarHBondContact O-CG 3.4Å; T516-Q520 PolarHBondContact O-N 3.23Å
517N81.4Confident82Confident67 Ų6793.5 Ų93.536%0.35850%0.501SS..Hα-helixtrans-63.9-40.2177.2-67.5-8.5000111.6Q513 I514 Q520 L521Q513-N517 VanDerWaalsContact O-CG 3.28Å; Q513-N517 PolarHBondContact O-N 3.29Å; Q513-N517 PolarHBondContact O-OD1 3.19Å; I514-N517 PolarHBondContact O-N 2.97Å; N517-Q520 WeakPolarHBondContact O-CB 3.27Å; N517-Q520 PolarHBondContact O-N 3.28Å; N517-L521 WeakPolarHBondContact O-CG 3.29Å; N517-L521 PolarHBondContact O-N 3.31Å
518V83.5Confident81.3Confident75 Ų7595.8 Ų95.846%0.45552%0.515SS..Hα-helixtrans-63.5-45175.5170.10000110.4I514 S515 T516 Q520 L521 M522I514-V518 HydrophobicContact CG2-CG2 4.28Å; I514-V518 WeakPolarHBondContact O-CG2 3.44Å; I514-V518 PolarHBondContact O-N 2.84Å; S515-V518 PolarHBondContact O-N 3.25Å; T516-V518 VanDerWaalsContact C-N 3.35Å; T516-V518 PolarHBondContact O-N 2.96Å; V518-Q520 VanDerWaalsContact C-N 3.29Å; V518-Q520 PolarHBondContact O-N 2.85Å; V518-L521 PolarHBondContact O-N 2.7Å; V518-M522 HydrophobicContact CG1-CG 4.23Å; V518-M522 WeakPolarHBondContact O-CB 3.38Å; V518-M522 VanDerWaalsContact O-CG 3.23Å; V518-M522 WeakPolarHBondContact O-CG 3.33Å; V518-M522 PolarHBondContact O-N 2.92Å
519E85.4Confident80.4Confident113 Ų11396.8 Ų96.853%0.52852%0.52SS..Hα-helixtrans-61.8-36.9175.5-77.2-173.9-163.100112.8S515 T516 K523S515-E519 WeakPolarHBondContact O-CG 3.44Å; S515-E519 PolarHBondContact O-N 3.48Å; T516-E519 PolarHBondContact O-N 3.43Å; E519-K523 VanDerWaalsContact O-CG 3.3Å; E519-K523 WeakPolarHBondContact O-CG 3.33Å; E519-K523 PolarHBondContact O-N 3.49Å
520Q81.8Confident79.3Confident89 Ų8996.3 Ų96.342%0.41652%0.515SS..Hα-helixtrans-63.5-49.1173.7-74.7175.1-20.200110.9T516 N517 V518 M522 K523 A524 F538T516-Q520 WeakPolarHBondContact O-CG 3.4Å; T516-Q520 PolarHBondContact O-N 3.23Å; N517-Q520 WeakPolarHBondContact O-CB 3.27Å; N517-Q520 PolarHBondContact O-N 3.28Å; V518-Q520 VanDerWaalsContact C-N 3.29Å; V518-Q520 PolarHBondContact O-N 2.85Å; Q520-M522 VanDerWaalsContact C-N 3.34Å; Q520-M522 PolarHBondContact O-N 3.25Å; Q520-K523 CarbonylContact O-C 3.28Å; Q520-K523 PolarHBondContact O-N 2.89Å; Q520-A524 PolarHBondContact O-N 2.83Å; Q520-F538 WeakPolarHBondContact O-CE1 3.26Å
521L81.1Confident78.4Confident111 Ų111100.6 Ų100.658%0.58153%0.534SS*.Hα-helixtrans-61.7-39.1177.7-70.4170.5000112.6N517 V518 K523 A524 F538N517-L521 WeakPolarHBondContact O-CG 3.29Å; N517-L521 PolarHBondContact O-N 3.31Å; V518-L521 PolarHBondContact O-N 2.7Å; L521-K523 PolarHBondContact O-N 3.22Å; L521-A524 WeakPolarHBondContact O-CB 3.39Å; L521-A524 PolarHBondContact O-N 3.4Å; L521-A524 VanDerWaalsContact O-N 3.11Å; L521-F538 HydrophobicContact CD2-CD1 4.08Å
522M80.6Confident77.5Confident155 Ų15598.7 Ų98.776%0.76454%0.544SS*.Hα-helixtrans-66.4-21.4176.2-72-62.8-62.800113.1V518 Q520V518-M522 HydrophobicContact CG1-CG 4.23Å; V518-M522 WeakPolarHBondContact O-CB 3.38Å; V518-M522 VanDerWaalsContact O-CG 3.23Å; V518-M522 WeakPolarHBondContact O-CG 3.33Å; V518-M522 PolarHBondContact O-N 2.92Å; Q520-M522 VanDerWaalsContact C-N 3.34Å; Q520-M522 PolarHBondContact O-N 3.25Å
523K80.6Confident76.2Confident156 Ų156104.8 Ų104.868%0.67856%0.56SS**THydrogen-bonded Turntrans-98.812.3175.8-67.5172.2-174.4166.90112.3E519 Q520 L521E519-K523 VanDerWaalsContact O-CG 3.3Å; E519-K523 WeakPolarHBondContact O-CG 3.33Å; E519-K523 PolarHBondContact O-N 3.49Å; Q520-K523 CarbonylContact O-C 3.28Å; Q520-K523 PolarHBondContact O-N 2.89Å; L521-K523 PolarHBondContact O-N 3.22Å
524A78.6Confident75.2Confident53 Ų53103.9 Ų103.944%0.43856%0.556SS.*PPolyproline II helixtrans-61.8127.5178.800000110.7Q520 L521 F538Q520-A524 PolarHBondContact O-N 2.83Å; L521-A524 WeakPolarHBondContact O-CB 3.39Å; L521-A524 PolarHBondContact O-N 3.4Å; L521-A524 VanDerWaalsContact O-N 3.11Å; A524-F538 HydrophobicContact CB-CE1 3.85Å; A524-F538 HydrophobicContact CB-CZ 3.95Å
525P75Confident74.3Confident48 Ų48103.7 Ų103.731%0.31256%0.56SS.*PPolyproline II helixtrans-66.3155.117824.8-29.7000110.8E529 E534P525-E529 HydrophobicContact CB-CB 4.24Å; P525-E534 VanDerWaalsContact CG-OE2 3.28Å; P525-E534 WeakPolarHBondContact CG-OE2 3.33Å
526S72.8Confident73.6Confident58 Ų58107.9 Ų107.941%0.40657%0.573SS.*PPolyproline II helixtrans-67.7153.6175.1700000110.6K528 E529 A530S526-K528 PolarHBondContact O-N 3.34Å; S526-E529 WeakPolarHBondContact CB-OE2 3.44Å; S526-E529 PolarHBondContact N-OE2 2.94Å; S526-E529 PolarHBondContact O-N 3.21Å; S526-E529 WeakPolarHBondContact OG-CG 3.48Å; S526-E529 PolarHBondContact OG-OE2 3.09Å; S526-A530 PolarHBondContact O-N 3.44Å
527L69.1Low72.9Confident177 Ų177110.6 Ų110.693%0.92758%0.584SS**THydrogen-bonded Turntrans-55.5-17.1-179.1-72.8169.1000114.3
528K70.7Confident72.6Confident204 Ų204111 Ų11189%0.88758%0.583SS**THydrogen-bonded Turntrans-86.9-20.3177-65.4-177.5177.8-1790113.6S526S526-K528 PolarHBondContact O-N 3.34Å
529E71.1Confident72.1Confident133 Ų133113 Ų11362%0.62159%0.59SS**THydrogen-bonded Turntrans-103.7-9.2-175.8-67.2163.1160.100112.1P525 S526 E531P525-E529 HydrophobicContact CB-CB 4.24Å; S526-E529 WeakPolarHBondContact CB-OE2 3.44Å; S526-E529 PolarHBondContact N-OE2 2.94Å; S526-E529 PolarHBondContact O-N 3.21Å; S526-E529 WeakPolarHBondContact OG-CG 3.48Å; S526-E529 PolarHBondContact OG-OE2 3.09Å; E529-E531 PolarHBondContact O-N 3.44Å
530A64.4Low71.5Confident51 Ų51110.2 Ų110.242%0.42158%0.583SS.*  trans-71.7110.1-175.200000112.2S526 E534S526-A530 PolarHBondContact O-N 3.44Å; A530-E534 WeakPolarHBondContact CA-OE2 3.3Å
531E65.6Low71.2Confident152 Ų152116.7 Ų116.771%0.7160%0.604SS**  trans-84147.7169.5-75.2-17417500110.9E529 K533 E534E529-E531 PolarHBondContact O-N 3.44Å; E531-K533 PolarHBondContact O-N 2.91Å; E531-E534 PolarHBondContact N-OE2 3.32Å; E531-E534 PolarHBondContact O-N 3.3Å
532G62.1Low71Confident77 Ų77113.8 Ų113.879%0.79459%0.593SS**THydrogen-bonded Turntrans-59.5-5.4-16100000118.8
533K60.8Low70.8Confident183 Ų183116.9 Ų116.980%0.79660%0.596SS**THydrogen-bonded Turntrans-105.1-11176.5-67.9-175.5178.71800114.4E531E531-K533 PolarHBondContact O-N 2.91Å
534E61.4Low70.6Confident67 Ų67112.5 Ų112.531%0.31358%0.584SS.*G310 helixtrans-68.2-30.3178.2-61.5-176.4150.400115.1P525 A530 E531 E536 L537 F538P525-E534 VanDerWaalsContact CG-OE2 3.28Å; P525-E534 WeakPolarHBondContact CG-OE2 3.33Å; A530-E534 WeakPolarHBondContact CA-OE2 3.3Å; E531-E534 PolarHBondContact N-OE2 3.32Å; E531-E534 PolarHBondContact O-N 3.3Å; E534-E536 VanDerWaalsContact C-N 3.26Å; E534-E536 PolarHBondContact O-N 2.91Å; E534-L537 WeakPolarHBondContact O-CB 3.48Å; E534-L537 PolarHBondContact O-N 2.98Å; E534-F538 VanDerWaalsContact O-CD2 3.22Å; E534-F538 WeakPolarHBondContact O-CD2 3.33Å; E534-F538 WeakPolarHBondContact O-CE2 3.46Å
535P65.1Low70.6Confident77 Ų77113.3 Ų113.350%0.558%0.583SS.*G310 helixtrans-63.4-27.8-179.4-22.832.9000114.4L537 F538P535-L537 PolarHBondContact O-N 3.31Å; P535-F538 PolarHBondContact O-N 3.48Å
536E68.8Low70.8Confident147 Ų147112.4 Ų112.469%0.68758%0.58SS**G310 helixtrans-68.6-24.7179.6-65.2-173.5171.600112.4E534 F538 L539E534-E536 VanDerWaalsContact C-N 3.26Å; E534-E536 PolarHBondContact O-N 2.91Å; E536-F538 PolarHBondContact O-N 3.48Å; E536-L539 HydrophobicContact CB-CD1 4.44Å; E536-L539 PolarHBondContact O-N 2.75Å
537L71.3Confident71.1Confident129 Ų129112.3 Ų112.368%0.67558%0.583SS**G310 helixtrans-71.1-20.3177.7-64.7169000112.8E534 P535E534-L537 WeakPolarHBondContact O-CB 3.48Å; E534-L537 PolarHBondContact O-N 2.98Å; P535-L537 PolarHBondContact O-N 3.31Å
538F74.4Confident71.7Confident76 Ų76106.5 Ų106.533%0.33355%0.55SS..G310 helixtrans-97.54.1-179.2-61-81.4000113.3Q520 L521 A524 E534 P535 E536Q520-F538 WeakPolarHBondContact O-CE1 3.26Å; L521-F538 HydrophobicContact CD2-CD1 4.08Å; A524-F538 HydrophobicContact CB-CE1 3.85Å; A524-F538 HydrophobicContact CB-CZ 3.95Å; E534-F538 VanDerWaalsContact O-CD2 3.22Å; E534-F538 WeakPolarHBondContact O-CD2 3.33Å; E534-F538 WeakPolarHBondContact O-CE2 3.46Å; P535-F538 PolarHBondContact O-N 3.48Å; E536-F538 PolarHBondContact O-N 3.48Å
539L74.4Confident72.2Confident117 Ų11799.6 Ų99.661%0.61353%0.531SS*.SBendtrans-72.3131.7175-69.9170.6000110.6E536 R541E536-L539 HydrophobicContact CB-CD1 4.44Å; E536-L539 PolarHBondContact O-N 2.75Å; L539-R541 PolarHBondContact O-N 3.36Å
540S72.9Confident72.7Confident54 Ų54100.1 Ų100.138%0.37853%0.531SS..  trans-60.8133.1170.5-178.30000110.1S542S540-S542 PolarHBondContact O-N 3.38Å; S540-S542 PolarHBondContact OG-N 3.23Å
541R73.8Confident73.6Confident225 Ų225103.9 Ų103.985%0.84954%0.54SS*.SBendtrans-63.8-21173-63.6-176.4-178.6-175.4-0.4112.4L539 R543L539-R541 PolarHBondContact O-N 3.36Å; R541-R543 PolarHBondContact O-N 3.23Å
542S77.4Confident74.3Confident51 Ų5198.3 Ų98.336%0.35752%0.52SS..SBendtrans-81.7110.9175.11780000109.8S540 P544 V545 A546S540-S542 PolarHBondContact O-N 3.38Å; S540-S542 PolarHBondContact OG-N 3.23Å; S542-P544 WeakPolarHBondContact OG-CD 3.41Å; S542-V545 PolarHBondContact O-N 3.41Å; S542-V545 WeakPolarHBondContact OG-CG2 3.36Å; S542-A546 PolarHBondContact O-N 2.98Å
543R75.8Confident75.3Confident220 Ų220100 Ų10083%0.8351%0.507SS*.Hα-helixtrans-56.2-42.7-179.6-66.7-178.6175.5178.4-1.6113.3R541 A546 A547R541-R543 PolarHBondContact O-N 3.23Å; R543-A546 PolarHBondContact O-N 3.22Å; R543-A547 WeakPolarHBondContact O-CB 3.17Å; R543-A547 PolarHBondContact O-N 3.03Å
544P77.6Confident76.4Confident64 Ų6495.3 Ų95.342%0.41649%0.49SS..Hα-helixtrans-63.7-41.9176.6-22.733000113.2S542 A546 A547 K548 L590S542-P544 WeakPolarHBondContact OG-CD 3.41Å; P544-A546 VanDerWaalsContact C-N 3.35Å; P544-A546 PolarHBondContact O-N 3.43Å; P544-A547 PolarHBondContact O-N 3.35Å; P544-K548 WeakPolarHBondContact O-CB 3.32Å; P544-K548 PolarHBondContact O-N 3.41Å; P544-L590 HydrophobicContact CB-CD2 3.26Å; P544-L590 HydrophobicContact CG-CD2 3.76Å
545V78.3Confident77.4Confident69 Ų6995.4 Ų95.442%0.41850%0.495SS..Hα-helixtrans-64.1-43.2177.8176.50000110.4S542 K548 A549S542-V545 PolarHBondContact O-N 3.41Å; S542-V545 WeakPolarHBondContact OG-CG2 3.36Å; V545-K548 PolarHBondContact O-N 3.02Å; V545-A549 VanDerWaalsContact O-CB 3.28Å; V545-A549 WeakPolarHBondContact O-CB 3.22Å; V545-A549 PolarHBondContact O-N 3.47Å
546A78.6Confident78.2Confident29 Ų2994.1 Ų94.124%0.2449%0.486CS..Hα-helixtrans-63.2-40.8175.600000112.3S542 R543 P544 K550S542-A546 PolarHBondContact O-N 2.98Å; R543-A546 PolarHBondContact O-N 3.22Å; P544-A546 VanDerWaalsContact C-N 3.35Å; P544-A546 PolarHBondContact O-N 3.43Å; A546-K550 WeakPolarHBondContact O-CB 3.4Å; A546-K550 PolarHBondContact O-N 3.1Å
547A79.2Confident78.8Confident57 Ų5790.1 Ų90.147%0.47147%0.469SS..Hα-helixtrans-65.5-44.517700000112.2R543 P544 K550 Q551R543-A547 WeakPolarHBondContact O-CB 3.17Å; R543-A547 PolarHBondContact O-N 3.03Å; P544-A547 PolarHBondContact O-N 3.35Å; A547-K550 WeakPolarHBondContact O-CB 3.32Å; A547-K550 PolarHBondContact O-N 3.43Å; A547-Q551 PolarHBondContact O-N 3.37Å
548K81.7Confident79.3Confident55 Ų5591.2 Ų91.224%0.23947%0.469CS..Hα-helixtrans-65.7-42.6177.1-167.2163.5-171.3161.30111.5P544 V545 K550 Q551 A552 E582 E586P544-K548 WeakPolarHBondContact O-CB 3.32Å; P544-K548 PolarHBondContact O-N 3.41Å; V545-K548 PolarHBondContact O-N 3.02Å; K548-K550 VanDerWaalsContact C-N 3.32Å; K548-K550 PolarHBondContact O-N 3.39Å; K548-Q551 PolarHBondContact O-N 2.9Å; K548-A552 WeakPolarHBondContact O-CB 3.31Å; K548-A552 PolarHBondContact O-N 2.93Å; K548-E582 PolarHBondContact NZ-O 2.91Å; K548-E586 IonicContact NZ-OE2 3.14Å; K548-E586 PolarHBondContact NZ-OE2 3.36Å
549A81Confident79.5Confident59 Ų5990.3 Ų90.349%0.48847%0.465SS..Hα-helixtrans-59.8-42.2173.500000111.8V545 A552 H553V545-A549 VanDerWaalsContact O-CB 3.28Å; V545-A549 WeakPolarHBondContact O-CB 3.22Å; V545-A549 PolarHBondContact O-N 3.47Å; A549-A552 PolarHBondContact O-N 3.35Å; A549-H553 WeakPolarHBondContact O-CB 3.39Å; A549-H553 PolarHBondContact O-N 2.97Å
550K81.6Confident79.7Confident143 Ų14389.8 Ų89.862%0.62246%0.462SS*.Hα-helixtrans-62.8-43.2174.7-175.1179.3-179179.50111.8A546 A547 K548 H553 L554A546-K550 WeakPolarHBondContact O-CB 3.4Å; A546-K550 PolarHBondContact O-N 3.1Å; A547-K550 WeakPolarHBondContact O-CB 3.32Å; A547-K550 PolarHBondContact O-N 3.43Å; K548-K550 VanDerWaalsContact C-N 3.32Å; K548-K550 PolarHBondContact O-N 3.39Å; K550-H553 PolarHBondContact O-N 2.95Å; K550-L554 HydrophobicContact CG-CD1 4.33Å; K550-L554 VanDerWaalsContact O-CG 3.3Å; K550-L554 WeakPolarHBondContact O-CG 3.49Å; K550-L554 PolarHBondContact O-N 3.5Å
551Q83.5Confident80.1Confident130 Ų13094.5 Ų94.561%0.60748%0.478SS*.Hα-helixtrans-63.2-46.1177.2-174.9176.1-4.400111.6A547 K548 H553 L554 T555A547-Q551 PolarHBondContact O-N 3.37Å; K548-Q551 PolarHBondContact O-N 2.9Å; Q551-H553 VanDerWaalsContact C-N 3.32Å; Q551-H553 PolarHBondContact O-N 2.87Å; Q551-L554 PolarHBondContact O-N 2.95Å; Q551-L554 VanDerWaalsContact O-N 3.16Å; Q551-T555 WeakPolarHBondContact O-CG2 3.43Å; Q551-T555 PolarHBondContact O-N 3.12Å; Q551-T555 PolarHBondContact O-OG1 2.94Å
552A81.3Confident80.4Confident35 Ų3584.9 Ų84.929%0.28945%0.447SS..Hα-helixtrans-61.4-38.7176.500000112.4K548 A549 T555 T556K548-A552 WeakPolarHBondContact O-CB 3.31Å; K548-A552 PolarHBondContact O-N 2.93Å; A549-A552 PolarHBondContact O-N 3.35Å; A552-T555 WeakPolarHBondContact CA-OG1 3.47Å; A552-T555 PolarHBondContact O-N 3.24Å; A552-T555 PolarHBondContact O-OG1 3.41Å; A552-T556 WeakPolarHBondContact O-CB 3.41Å; A552-T556 PolarHBondContact O-N 3.05Å; A552-T556 PolarHBondContact O-OG1 2.85Å
553H82.2Confident80.6Confident113 Ų11385.4 Ų85.452%0.52345%0.448SS..Hα-helixtrans-64.9-43.5173.9-177.466.2000111.9A549 K550 Q551 T555 T556 L557A549-H553 WeakPolarHBondContact O-CB 3.39Å; A549-H553 PolarHBondContact O-N 2.97Å; K550-H553 PolarHBondContact O-N 2.95Å; Q551-H553 VanDerWaalsContact C-N 3.32Å; Q551-H553 PolarHBondContact O-N 2.87Å; H553-T555 PolarHBondContact O-N 3.49Å; H553-T556 PolarHBondContact O-N 2.84Å; H553-L557 WeakPolarHBondContact NE2-CD1 3.34Å; H553-L557 WeakPolarHBondContact O-CG 3.44Å; H553-L557 PolarHBondContact O-N 3.4Å
554L83.4Confident80.5Confident84 Ų8483.9 Ų83.944%0.4444%0.443SS..Hα-helixtrans-65-37.8177.7-72.3172.1000112.6K550 Q551 L557 K558K550-L554 HydrophobicContact CG-CD1 4.33Å; K550-L554 VanDerWaalsContact O-CG 3.3Å; K550-L554 WeakPolarHBondContact O-CG 3.49Å; K550-L554 PolarHBondContact O-N 3.5Å; Q551-L554 PolarHBondContact O-N 2.95Å; Q551-L554 VanDerWaalsContact O-N 3.16Å; L554-L557 PolarHBondContact O-N 3.35Å; L554-K558 WeakPolarHBondContact O-CB 3.42Å; L554-K558 VanDerWaalsContact O-CG 3.29Å; L554-K558 WeakPolarHBondContact O-CG 3.45Å; L554-K558 PolarHBondContact O-N 2.81Å
555T83.9Confident80.4Confident70 Ų7088.4 Ų88.443%0.42945%0.452SS..Hα-helixtrans-66.3-42.4174.6520000111Q551 A552 H553 L557 K558 H559Q551-T555 WeakPolarHBondContact O-CG2 3.43Å; Q551-T555 PolarHBondContact O-N 3.12Å; Q551-T555 PolarHBondContact O-OG1 2.94Å; A552-T555 WeakPolarHBondContact CA-OG1 3.47Å; A552-T555 PolarHBondContact O-N 3.24Å; A552-T555 PolarHBondContact O-OG1 3.41Å; H553-T555 PolarHBondContact O-N 3.49Å; T555-L557 PolarHBondContact O-N 2.98Å; T555-K558 PolarHBondContact O-N 3.46Å; T555-H559 WeakPolarHBondContact O-CB 3.24Å; T555-H559 PolarHBondContact O-N 3.5Å
556T81.5Confident80Confident50 Ų5092.5 Ų92.531%0.30746%0.464SS..Hα-helixtrans-60.1-45.1175-51.60000111.4A552 H553 H559 I560A552-T556 WeakPolarHBondContact O-CB 3.41Å; A552-T556 PolarHBondContact O-N 3.05Å; A552-T556 PolarHBondContact O-OG1 2.85Å; H553-T556 PolarHBondContact O-N 2.84Å; T556-H559 WeakPolarHBondContact O-CB 3.29Å; T556-H559 PolarHBondContact O-N 2.94Å; T556-I560 HydrophobicContact CG2-CD1 4.02Å; T556-I560 VanDerWaalsContact O-CG1 3.31Å; T556-I560 WeakPolarHBondContact O-CG1 3.37Å; T556-I560 PolarHBondContact O-N 2.82Å
557L80.8Confident79.6Confident63 Ų6394.4 Ų94.433%0.3347%0.467SS..Hα-helixtrans-62.6-44.1176.2-77.8177.3000112.5H553 L554 T555 H559 I560 Q561H553-L557 WeakPolarHBondContact NE2-CD1 3.34Å; H553-L557 WeakPolarHBondContact O-CG 3.44Å; H553-L557 PolarHBondContact O-N 3.4Å; L554-L557 PolarHBondContact O-N 3.35Å; T555-L557 PolarHBondContact O-N 2.98Å; L557-H559 VanDerWaalsContact C-N 3.27Å; L557-H559 PolarHBondContact O-N 2.93Å; L557-I560 PolarHBondContact O-N 3.22Å; L557-Q561 WeakPolarHBondContact O-CB 3.25Å; L557-Q561 VanDerWaalsContact O-CG 3.3Å; L557-Q561 WeakPolarHBondContact O-CG 3.42Å; L557-Q561 PolarHBondContact O-N 3.46Å
558K81.6Confident78.4Confident152 Ų15297.9 Ų97.966%0.66148%0.477SS*.Hα-helixtrans-60.5-39.1175.5-76.1175.2180-1770111.6L554 T555 A562L554-K558 WeakPolarHBondContact O-CB 3.42Å; L554-K558 VanDerWaalsContact O-CG 3.29Å; L554-K558 WeakPolarHBondContact O-CG 3.45Å; L554-K558 PolarHBondContact O-N 2.81Å; T555-K558 PolarHBondContact O-N 3.46Å; K558-A562 PolarHBondContact O-N 2.76Å; K558-A562 VanDerWaalsContact O-N 3.13Å
559H79.4Confident77.5Confident57 Ų5799.1 Ų99.126%0.26451%0.506SS..Hα-helixtrans-66.4-48.1175.7-178.986.7000111.3T555 T556 L557 Q561 A562 K567 E570T555-H559 WeakPolarHBondContact O-CB 3.24Å; T555-H559 PolarHBondContact O-N 3.5Å; T556-H559 WeakPolarHBondContact O-CB 3.29Å; T556-H559 PolarHBondContact O-N 2.94Å; L557-H559 VanDerWaalsContact C-N 3.27Å; L557-H559 PolarHBondContact O-N 2.93Å; H559-Q561 VanDerWaalsContact C-N 3.26Å; H559-Q561 PolarHBondContact O-N 3.12Å; H559-A562 VanDerWaalsContact O-CB 3.26Å; H559-A562 WeakPolarHBondContact O-CB 3.14Å; H559-A562 PolarHBondContact O-N 3.14Å; H559-K567 WeakPolarHBondContact O-CE 3.12Å; H559-K567 PolarHBondContact O-NZ 3.09Å; H559-E570 IonicContact CE1-OE1 2.98Å; H559-E570 IonicContact CE1-OE2 3.64Å; H559-E570 PolarHBondContact CE1-OE2 3.45Å; H559-E570 IonicContact NE2-OE2 3.28Å; H559-E570 PolarHBondContact NE2-OE2 2.81Å
560I78.6Confident76.4Confident105 Ų105101.7 Ų101.754%0.53851%0.507SS..Hα-helixtrans-57.9-39.8176.1-68.2166000111.2T556 L557 A562 K567T556-I560 HydrophobicContact CG2-CD1 4.02Å; T556-I560 VanDerWaalsContact O-CG1 3.31Å; T556-I560 WeakPolarHBondContact O-CG1 3.37Å; T556-I560 PolarHBondContact O-N 2.82Å; L557-I560 PolarHBondContact O-N 3.22Å; I560-A562 VanDerWaalsContact C-N 3.28Å; I560-A562 PolarHBondContact O-N 3.4Å; I560-K567 PolarHBondContact O-NZ 3.27Å
561Q80.6Confident74.8Confident154 Ų154102.5 Ų102.572%0.7251%0.513SS*.THydrogen-bonded Turntrans-77.9-7.8178.5-68.5176.16.200114L557 H559L557-Q561 WeakPolarHBondContact O-CB 3.25Å; L557-Q561 VanDerWaalsContact O-CG 3.3Å; L557-Q561 WeakPolarHBondContact O-CG 3.42Å; L557-Q561 PolarHBondContact O-N 3.46Å; H559-Q561 VanDerWaalsContact C-N 3.26Å; H559-Q561 PolarHBondContact O-N 3.12Å
562A80.8Confident73Confident23 Ų23103 Ų10319%0.1953%0.531CS..SBendtrans-69.7145.9-179.400000112K558 H559 I560 K566 K567K558-A562 PolarHBondContact O-N 2.76Å; K558-A562 VanDerWaalsContact O-N 3.13Å; H559-A562 VanDerWaalsContact O-CB 3.26Å; H559-A562 WeakPolarHBondContact O-CB 3.14Å; H559-A562 PolarHBondContact O-N 3.14Å; I560-A562 VanDerWaalsContact C-N 3.28Å; I560-A562 PolarHBondContact O-N 3.4Å; A562-K566 HydrophobicContact CB-CB 4.41Å; A562-K567 VanDerWaalsContact O-CE 3.25Å; A562-K567 WeakPolarHBondContact O-CE 3.04Å; A562-K567 PolarHBondContact O-NZ 3.32Å
563P81.8Confident71.6Confident61 Ų61104.6 Ų104.640%0.39655%0.551SS.*  trans-58.7149.5175.9-20.230.3000112.2W565 K566P563-W565 HydrophobicContact CB-CD2 4.09Å; P563-W565 HydrophobicContact CB-CG 4.39Å; P563-W565 HydrophobicContact CB-CZ2 3.93Å; P563-W565 HydrophobicContact CG-CZ2 4.15Å; P563-W565 PolarHBondContact O-N 3.32Å; P563-W565 VanDerWaalsContact O-N 3.1Å; P563-K566 PolarHBondContact O-N 3.37Å
564W73.3Confident69.8Low188 Ų188104.7 Ų104.771%0.71256%0.556SS**G310 helixtrans-54.2-33.8-174.468-89000114K566 K567 L568W564-K566 PolarHBondContact O-N 3.11Å; W564-K567 PolarHBondContact O-N 3.1Å; W564-K567 VanDerWaalsContact O-N 3.08Å; W564-L568 HydrophobicContact CE3-CD1 4.38Å; W564-L568 HydrophobicContact CZ3-CD1 4Å
565W74.5Confident68.1Low159 Ų159109.2 Ų109.260%0.60257%0.574SS**G310 helixtrans-68.1-20.4179.157.958.7000113.9P563 K567 L568P563-W565 HydrophobicContact CB-CD2 4.09Å; P563-W565 HydrophobicContact CB-CG 4.39Å; P563-W565 HydrophobicContact CB-CZ2 3.93Å; P563-W565 HydrophobicContact CG-CZ2 4.15Å; P563-W565 PolarHBondContact O-N 3.32Å; P563-W565 VanDerWaalsContact O-N 3.1Å; W565-K567 VanDerWaalsContact C-N 3.28Å; W565-L568 HydrophobicContact CB-CD1 4.27Å
566K71.4Confident66.5Low156 Ų156109.5 Ų109.568%0.67858%0.576SS**G310 helixtrans-83.8-6.5174.8-79.3-166.6175.7-176.60112.6A562 P563 W564A562-K566 HydrophobicContact CB-CB 4.41Å; P563-K566 PolarHBondContact O-N 3.37Å; W564-K566 PolarHBondContact O-N 3.11Å
567K69Low64.9Low68 Ų68112.5 Ų112.530%0.29659%0.59SS.*G310 helixtrans-107.29.6180-60174.7176.1163.10112.1H559 I560 A562 W564 W565 G569H559-K567 WeakPolarHBondContact O-CE 3.12Å; H559-K567 PolarHBondContact O-NZ 3.09Å; I560-K567 PolarHBondContact O-NZ 3.27Å; A562-K567 VanDerWaalsContact O-CE 3.25Å; A562-K567 WeakPolarHBondContact O-CE 3.04Å; A562-K567 PolarHBondContact O-NZ 3.32Å; W564-K567 PolarHBondContact O-N 3.1Å; W564-K567 VanDerWaalsContact O-N 3.08Å; W565-K567 VanDerWaalsContact C-N 3.28Å; K567-G569 PolarHBondContact O-N 3.5Å
568L55.1Low63.4Low130 Ų130112.2 Ų112.268%0.68159%0.591SS**THydrogen-bonded Turntrans-74.3108176.9-86159.6000109.2W564 W565W564-L568 HydrophobicContact CE3-CD1 4.38Å; W564-L568 HydrophobicContact CZ3-CD1 4Å; W565-L568 HydrophobicContact CB-CD1 4.27Å
569G62.3Low61.6Low82 Ų82108.8 Ų108.885%0.84558%0.584SS**THydrogen-bonded Turntrans127.2-8177.500000115.2K567K567-G569 PolarHBondContact O-N 3.5Å
570E57.7Low60Low112 Ų112112.4 Ų112.452%0.52360%0.599SS.*  trans-101.3121.8177.5-67.5174.5-176.500109.7H559H559-E570 IonicContact CE1-OE1 2.98Å; H559-E570 IonicContact CE1-OE2 3.64Å; H559-E570 PolarHBondContact CE1-OE2 3.45Å; H559-E570 IonicContact NE2-OE2 3.28Å; H559-E570 PolarHBondContact NE2-OE2 2.81Å
571E49Very low58.2Low160 Ų160113.8 Ų113.875%0.74861%0.608SS**  trans-69.7145.8176.7-69.3-170.9170.500110G573 D574E571-G573 PolarHBondContact O-N 2.98Å; E571-D574 PolarHBondContact O-N 3.31Å; E571-D574 VanDerWaalsContact O-N 3.17Å
572S45.6Very low56.5Low141 Ų141112.3 Ų112.399%0.98660%0.6SS**THydrogen-bonded Turntrans-72.548.1-175.153.20000114
573G50.4Low54.7Low68 Ų68114.8 Ų114.870%0.70161%0.61SS**THydrogen-bonded Turntrans-163.7-7.2-179.300000113.9E571 E575E571-G573 PolarHBondContact O-N 2.98Å; G573-E575 PolarHBondContact O-N 3.33Å; G573-E575 VanDerWaalsContact O-N 3.14Å
574D45.5Very low52.8Low116 Ų116115.3 Ų115.362%0.6262%0.615SS**  trans-76103174.1-73.1-27.1000109.2E571 V576E571-D574 PolarHBondContact O-N 3.31Å; E571-D574 VanDerWaalsContact O-N 3.17Å; D574-V576 PolarHBondContact O-N 3.13Å
575E46.5Very low51.4Low179 Ų179111.1 Ų111.184%0.83661%0.61SS**  trans-49.2125.4157.1-70.6-175.2167.500106.8G573 D577G573-E575 PolarHBondContact O-N 3.33Å; G573-E575 VanDerWaalsContact O-N 3.14Å; E575-D577 VanDerWaalsContact C-N 3.33Å; E575-D577 PolarHBondContact O-N 3.46Å
576V51.9Low50Low76 Ų76108 Ų10846%0.46160%0.602SS.*  trans-46.399.5178.1178.20000108.3D574 V578D574-V576 PolarHBondContact O-N 3.13Å; V576-V578 VanDerWaalsContact C-N 3.28Å; V576-V578 PolarHBondContact O-N 2.99Å
577D46.1Very low48.7Very low113 Ų113105.8 Ų105.860%0.60460%0.597SS**  trans-71.794.7-176.6-139.59.2000104.2E575 K580E575-D577 VanDerWaalsContact C-N 3.33Å; E575-D577 PolarHBondContact O-N 3.46Å; D577-K580 VanDerWaalsContact CG-NZ 3.33Å; D577-K580 IonicContact OD1-NZ 3.72Å; D577-K580 PolarHBondContact OD1-NZ 3.07Å; D577-K580 IonicContact OD2-NZ 3.47Å; D577-K580 PolarHBondContact OD2-NZ 3.43Å
578V49.7Very low47.4Very low57 Ų57110.1 Ų110.135%0.34562%0.619SS.*  trans-50.7125.4167.6176.10000105.1V576 K580 L583V576-V578 VanDerWaalsContact C-N 3.28Å; V576-V578 PolarHBondContact O-N 2.99Å; V578-K580 PolarHBondContact O-N 2.9Å; V578-L583 HydrophobicContact CG1-CD1 4.48Å
579P44.3Very low46.8Very low79 Ų79108 Ų10851%0.51361%0.612SS.*  trans-47.1113.4-175.9-27.732.7000109.9D581 E582P579-D581 PolarHBondContact O-N 2.98Å; P579-E582 PolarHBondContact O-N 3.46Å
580K46.3Very low46.1Very low133 Ų133107.5 Ų107.558%0.57859%0.589SS**THydrogen-bonded Turntrans-58.5-21.8-175.6-79.9171.9178.3118.40112.1D577 V578 E582 L583 S584D577-K580 VanDerWaalsContact CG-NZ 3.33Å; D577-K580 IonicContact OD1-NZ 3.72Å; D577-K580 PolarHBondContact OD1-NZ 3.07Å; D577-K580 IonicContact OD2-NZ 3.47Å; D577-K580 PolarHBondContact OD2-NZ 3.43Å; V578-K580 PolarHBondContact O-N 2.9Å; K580-E582 VanDerWaalsContact C-N 3.33Å; K580-E582 PolarHBondContact O-N 2.88Å; K580-L583 PolarHBondContact O-N 2.69Å; K580-S584 PolarHBondContact O-OG 3.42Å
581D41.4Very low45.4Very low135 Ų135109.4 Ų109.472%0.72260%0.596SS**Hα-helixtrans-69.3-22.1176.3-73.7-18.2000114.2P579 S584 V585P579-D581 PolarHBondContact O-N 2.98Å; D581-S584 PolarHBondContact O-OG 3.22Å; D581-V585 WeakPolarHBondContact O-CG2 3.42Å
582E43.3Very low45.1Very low122 Ų122108.1 Ų108.157%0.5759%0.593SS**Hα-helixtrans-91.4-8.6174.3-73.1-173.317300113.5K548 P579 K580K548-E582 PolarHBondContact NZ-O 2.91Å; P579-E582 PolarHBondContact O-N 3.46Å; K580-E582 VanDerWaalsContact C-N 3.33Å; K580-E582 PolarHBondContact O-N 2.88Å
583L44.3Very low44.8Very low76 Ų76105.1 Ų105.140%0.39858%0.584SS.*Hα-helixtrans-87.1-34.8176.6-76.4166.7000111.8V578 K580 L587V578-L583 HydrophobicContact CG1-CD1 4.48Å; K580-L583 PolarHBondContact O-N 2.69Å; L583-L587 WeakPolarHBondContact O-CB 3.24Å; L583-L587 WeakPolarHBondContact O-CD1 3.47Å
584S41.8Very low44.1Very low71 Ų71104.5 Ų104.550%0.49758%0.578SS.*Hα-helixtrans-76.7-40.5-178.845.70000113.1K580 D581 E586K580-S584 PolarHBondContact O-OG 3.42Å; D581-S584 PolarHBondContact O-OG 3.22Å; S584-E586 PolarHBondContact O-N 3.35Å
585V44Very low43.8Very low101 Ų101105.2 Ų105.261%0.61259%0.586SS**Hα-helixtrans-74.1-27-173-179.40000113.1D581D581-V585 WeakPolarHBondContact O-CG2 3.42Å
586E44.6Very low43.2Very low93 Ų93106.3 Ų106.344%0.43559%0.588SS.*Hα-helixtrans-103.1-15.2-177.5-74.9-173.3152.100115.4K548 S584 E588 T589 L590K548-E586 IonicContact NZ-OE2 3.14Å; K548-E586 PolarHBondContact NZ-OE2 3.36Å; S584-E586 PolarHBondContact O-N 3.35Å; E586-E588 PolarHBondContact O-N 2.94Å; E586-T589 WeakPolarHBondContact CA-OG1 3.38Å; E586-T589 PolarHBondContact O-N 3.09Å; E586-T589 VanDerWaalsContact O-N 3.17Å; E586-T589 PolarHBondContact O-OG1 2.99Å; E586-T589 VanDerWaalsContact O-OG1 3.05Å; E586-L590 WeakPolarHBondContact O-CB 3.39Å; E586-L590 VanDerWaalsContact O-CG 3.29Å; E586-L590 WeakPolarHBondContact O-CG 3.48Å; E586-L590 PolarHBondContact O-N 3.12Å
587L44.5Very low42.7Very low109 Ų109108 Ų10857%0.57160%0.601SS**Hα-helixtrans-67-26.6173.1-106.7146.5000111.6L583L583-L587 WeakPolarHBondContact O-CB 3.24Å; L583-L587 WeakPolarHBondContact O-CD1 3.47Å
588E41.2Very low43Very low159 Ų159112.3 Ų112.374%0.74364%0.635SS**THydrogen-bonded Turntrans-72.3-31.8170.9-68.9-171.3162.500112.8E586E586-E588 PolarHBondContact O-N 2.94Å
589T43.3Very low42.6Very low87 Ų87115.1 Ų115.153%0.53465%0.649SS.*THydrogen-bonded Turntrans-88.1-25.1-178.259.10000113.5E586 F591E586-T589 WeakPolarHBondContact CA-OG1 3.38Å; E586-T589 PolarHBondContact O-N 3.09Å; E586-T589 VanDerWaalsContact O-N 3.17Å; E586-T589 PolarHBondContact O-OG1 2.99Å; E586-T589 VanDerWaalsContact O-OG1 3.05Å; T589-F591 VanDerWaalsContact C-N 3.3Å; T589-F591 PolarHBondContact O-N 2.93Å
590L46.3Very low42.5Very low71 Ų71116.9 Ų116.937%0.37266%0.656SS.*THydrogen-bonded Turntrans-75.9-11.6-179.5-76.7171.2000115P544 E586P544-L590 HydrophobicContact CB-CD2 3.26Å; P544-L590 HydrophobicContact CG-CD2 3.76Å; E586-L590 WeakPolarHBondContact O-CB 3.39Å; E586-L590 VanDerWaalsContact O-CG 3.29Å; E586-L590 WeakPolarHBondContact O-CG 3.48Å; E586-L590 PolarHBondContact O-N 3.12Å
591F43.3Very low42.3Very low152 Ų152116.1 Ų116.167%0.66766%0.661SS**THydrogen-bonded Turntrans-11419178.7-91.3-84.7000114.2T589 G593T589-F591 VanDerWaalsContact C-N 3.3Å; T589-F591 PolarHBondContact O-N 2.93Å; F591-G593 PolarHBondContact O-N 2.84Å
592I42.9Very low42.4Very low133 Ų133114.9 Ų114.968%0.68266%0.657SS**  trans-8465.1166.6-49.6176.9000108.6G594I592-G594 PolarHBondContact O-N 3.02Å
593G39.5Very low42.3Very low78 Ų78114.5 Ų114.580%0.80466%0.663SS**  trans-76.961.5156.700000109F591 T595F591-G593 PolarHBondContact O-N 2.84Å; G593-T595 PolarHBondContact O-N 2.84Å
594G35.3Very low42.2Very low55 Ų55117.1 Ų117.157%0.56768%0.68SS**  trans-65.6112.3177.500000110.1I592 K596I592-G594 PolarHBondContact O-N 3.02Å; G594-K596 PolarHBondContact O-N 3.33Å; G594-K596 VanDerWaalsContact O-N 3.13Å
595T38.4Very low42.2Very low131 Ų131120.4 Ų120.480%0.80469%0.693SS**  trans-46.2113.7146.841.20000108.2G593G593-T595 PolarHBondContact O-N 2.84Å
596K34.9Very low42.1Very low201 Ų201121.8 Ų121.887%0.87470%0.7SS**  trans-59.5127.8160.9-75.5-176.8173.6-177.10107.6G594G594-K596 PolarHBondContact O-N 3.33Å; G594-K596 VanDerWaalsContact O-N 3.13Å
597P41.5Very low41.9Very low113 Ų113124.3 Ų124.373%0.73472%0.722SS**  trans-73.5157.5164.712.53.5000109.3
598P51.3Low41.6Very low202 Ų202125.6 Ų125.6100%1.31274%0.736SS**  trans-62.50174.328.4-34.7000113.1

Retrieved 598 of 598 residues in 348.7 ms (Link to these results)

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