A0A3Q0KCU5_SCHMA Loading...

Putative nucleolar complex protein

AlphaFold DB , UniProt , Accession A0A3Q0KCU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 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
1M44Very low61.6Low219 Ų21978.2 Ų78.2100%1.07941%0.413SS*.  0117.20-113.3167.6173.900105.6
2G60.3Low62.8Low32 Ų3278.6 Ų78.633%0.3341%0.414SS..  trans-67.3151.1-175.200000110.9C4 D5 A6G2-C4 PolarHBondContact O-N 3.08Å; G2-C4 VanDerWaalsContact O-N 3.12Å; G2-D5 PolarHBondContact N-OD2 3.01Å; G2-D5 WeakPolarHBondContact O-CB 3.41Å; G2-D5 PolarHBondContact O-N 3Å; G2-A6 PolarHBondContact O-N 3.48Å
3L61.1Low63.8Low12 Ų1275.6 Ų75.66%0.06339%0.394CS..Hα-helixtrans-47.3-40.4173.3-171.3104.7000112D5 A6 L7 Y19 E37 A41L3-D5 VanDerWaalsContact C-N 3.34Å; L3-D5 PolarHBondContact O-N 3.39Å; L3-A6 PolarHBondContact O-N 3.37Å; L3-L7 HydrophobicContact CD2-CD1 3.63Å; L3-L7 HydrophobicContact CG-CD1 3.76Å; L3-L7 HydrophobicContact CG-CG 4.46Å; L3-L7 WeakPolarHBondContact O-CB 3.27Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 2.87Å; L3-L7 VanDerWaalsContact O-N 3.07Å; L3-Y19 HydrophobicContact CD1-CD1 3.31Å; L3-Y19 HydrophobicContact CD1-CD2 3.83Å; L3-Y19 HydrophobicContact CD1-CE1 3.87Å; L3-Y19 HydrophobicContact CD1-CE2 4.35Å; L3-Y19 HydrophobicContact CD1-CG 3.3Å; L3-E37 HydrophobicContact CB-CB 4.1Å; L3-E37 HydrophobicContact CB-CG 4.49Å; L3-A41 HydrophobicContact CD2-CB 3.57Å
4C59.5Low64.8Low21 Ų2181.5 Ų81.514%0.14242%0.419CS..Hα-helixtrans-62.2-37.1176.8-60.50000113.1G2 L7 R8 L95G2-C4 PolarHBondContact O-N 3.08Å; G2-C4 VanDerWaalsContact O-N 3.12Å; C4-L7 PolarHBondContact O-N 3.37Å; C4-R8 WeakPolarHBondContact O-CG 3.05Å; C4-R8 PolarHBondContact O-N 3.26Å; C4-L95 HydrophobicContact CB-CD1 4.41Å; C4-L95 HydrophobicContact CB-CD2 4.46Å
5D64.2Low65.6Low79 Ų7979.1 Ų79.142%0.42241%0.409SS..Hα-helixtrans-71.2-35.9178.3-61.9-41.8000111.3G2 L3 L7 R8G2-D5 PolarHBondContact N-OD2 3.01Å; G2-D5 WeakPolarHBondContact O-CB 3.41Å; G2-D5 PolarHBondContact O-N 3Å; L3-D5 VanDerWaalsContact C-N 3.34Å; L3-D5 PolarHBondContact O-N 3.39Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-R8 IonicContact OD1-CZ 3.64Å; D5-R8 IonicContact OD1-NE 3.89Å; D5-R8 IonicContact OD1-NH1 3.3Å; D5-R8 IonicContact OD1-NH2 3.48Å; D5-R8 PolarHBondContact OD1-NH2 3.47Å
6A63.7Low66.4Low60 Ų6074.6 Ų74.650%0.49639%0.386SS..Hα-helixtrans-70.6-26.7176.500000113.1G2 L3G2-A6 PolarHBondContact O-N 3.48Å; L3-A6 PolarHBondContact O-N 3.37Å
7L64.9Low67.3Low4 Ų475.6 Ų75.62%0.02138%0.384CS..Hα-helixtrans-93.9-14.9-175.6-73.6172.5000114.8L3 C4 D5 E9 N10 V11 I16 L95L3-L7 HydrophobicContact CD2-CD1 3.63Å; L3-L7 HydrophobicContact CG-CD1 3.76Å; L3-L7 HydrophobicContact CG-CG 4.46Å; L3-L7 WeakPolarHBondContact O-CB 3.27Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 2.87Å; L3-L7 VanDerWaalsContact O-N 3.07Å; C4-L7 PolarHBondContact O-N 3.37Å; D5-L7 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.09Å; L7-N10 PolarHBondContact O-N 3.12Å; L7-V11 HydrophobicContact CB-CG2 4.43Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-I16 HydrophobicContact CD1-CG1 4.33Å; L7-I16 HydrophobicContact CD2-CG1 3.87Å; L7-L95 HydrophobicContact CB-CD2 3.58Å; L7-L95 HydrophobicContact CD1-CD2 4.3Å
8R60.5Low68Low147 Ų14775.2 Ų75.256%0.55539%0.387SS*.SBendtrans-49.4-33.5-173-90.7-178.9-165.2152.217.3115C4 D5 L95C4-R8 WeakPolarHBondContact O-CG 3.05Å; C4-R8 PolarHBondContact O-N 3.26Å; D5-R8 IonicContact OD1-CZ 3.64Å; D5-R8 IonicContact OD1-NE 3.89Å; D5-R8 IonicContact OD1-NH1 3.3Å; D5-R8 IonicContact OD1-NH2 3.48Å; D5-R8 PolarHBondContact OD1-NH2 3.47Å; R8-L95 HydrophobicContact CG-CD1 3.94Å
9E63.3Low68.5Low167 Ų16775.8 Ų75.878%0.7838%0.384SS*.SBendtrans-100-24.2-176-64.5-176.5174.700114L7L7-E9 PolarHBondContact O-N 3.09Å
10N67.5Low69Low98 Ų9872.1 Ų72.152%0.52437%0.365SS..  trans-142.271.1-172.1-76.7-46000112.8L7 I12 T15L7-N10 PolarHBondContact O-N 3.12Å; N10-I12 PolarHBondContact O-N 2.75Å; N10-T15 PolarHBondContact O-OG1 3.42Å
11V68.9Low69.5Low21 Ų2171.4 Ų71.413%0.12736%0.362CS..  trans-78.984.6172.4-169.30000109.4L7 I16 D46 F50 L95L7-V11 HydrophobicContact CB-CG2 4.43Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; V11-I16 HydrophobicContact CG1-CD1 3.63Å; V11-D46 HydrophobicContact CG1-CB 4.06Å; V11-F50 HydrophobicContact CG1-CD2 3.74Å; V11-F50 HydrophobicContact CG1-CE2 3.88Å; V11-F50 VanDerWaalsContact O-CE2 3.29Å; V11-F50 WeakPolarHBondContact O-CE2 3.47Å; V11-L95 HydrophobicContact CG2-CB 4.21Å; V11-L95 HydrophobicContact CG2-CD2 4.46Å; V11-L95 HydrophobicContact CG2-CG 4.35Å
12I76.3Confident71.3Confident83 Ų8366.8 Ų66.843%0.42634%0.34SS..  trans-121.9153.4-179.9-54.6174.3000108.7N10 E14 T15 I16N10-I12 PolarHBondContact O-N 2.75Å; I12-E14 PolarHBondContact O-N 3.05Å; I12-E14 VanDerWaalsContact O-N 3.17Å; I12-T15 PolarHBondContact N-OG1 3.18Å; I12-T15 VanDerWaalsContact N-OG1 3.14Å; I12-T15 PolarHBondContact O-N 3.19Å; I12-T15 VanDerWaalsContact O-N 3.08Å; I12-T15 PolarHBondContact O-OG1 3.14Å; I12-I16 PolarHBondContact O-N 2.97Å; I12-I16 VanDerWaalsContact O-N 3.12Å
13Y75.3Confident72Confident40 Ų4065.5 Ų65.516%0.15733%0.327CS..Hα-helixtrans-48.9-41.8174.6178.6-97.4000112.9R17 R53 V54Y13-R17 VanDerWaalsContact O-CB 3.26Å; Y13-R17 WeakPolarHBondContact O-CB 3.33Å; Y13-R17 PolarHBondContact O-N 3.42Å; Y13-R53 HydrophobicContact CD2-CG 4.09Å; Y13-R53 HydrophobicContact CE2-CB 4.49Å; Y13-R53 HydrophobicContact CE2-CG 3.98Å; Y13-V54 HydrophobicContact CD2-CG2 3.82Å; Y13-V54 HydrophobicContact CE2-CB 4.25Å; Y13-V54 HydrophobicContact CE2-CG2 3.44Å; Y13-V54 VanDerWaalsContact CE2-CG2 3.44Å
14E77.4Confident72.8Confident158 Ų15865.2 Ų65.274%0.73833%0.325SS*.Hα-helixtrans-70.2-30-178-64.2-179.7177.100113.4I12 P18I12-E14 PolarHBondContact O-N 3.05Å; I12-E14 VanDerWaalsContact O-N 3.17Å; E14-P18 WeakPolarHBondContact O-CD 3.03Å
15T77.8Confident73.6Confident46 Ų4665.9 Ų65.928%0.28233%0.329SS..Hα-helixtrans-80-37.3177.8580000111.2N10 I12 P18 Y19N10-T15 PolarHBondContact O-OG1 3.42Å; I12-T15 PolarHBondContact N-OG1 3.18Å; I12-T15 VanDerWaalsContact N-OG1 3.14Å; I12-T15 PolarHBondContact O-N 3.19Å; I12-T15 VanDerWaalsContact O-N 3.08Å; I12-T15 PolarHBondContact O-OG1 3.14Å; T15-P18 WeakPolarHBondContact O-CD 3.38Å; T15-P18 WeakPolarHBondContact O-CG 3.29Å; T15-Y19 WeakPolarHBondContact O-CD2 3.31Å; T15-Y19 VanDerWaalsContact O-CE2 3.29Å; T15-Y19 WeakPolarHBondContact O-CE2 3.42Å
16I78.3Confident73.9Confident6 Ų665.8 Ų65.83%0.03133%0.328CS..Hα-helixtrans-77.5-37.1-179.6-69.1173.5000112.4L7 V11 I12 Y19 V20 F50 I51L7-I16 HydrophobicContact CD1-CG1 4.33Å; L7-I16 HydrophobicContact CD2-CG1 3.87Å; V11-I16 HydrophobicContact CG1-CD1 3.63Å; I12-I16 PolarHBondContact O-N 2.97Å; I12-I16 VanDerWaalsContact O-N 3.12Å; I16-Y19 PolarHBondContact O-N 3.45Å; I16-Y19 VanDerWaalsContact O-N 3.12Å; I16-V20 HydrophobicContact CG2-CG2 3.64Å; I16-V20 PolarHBondContact O-N 2.86Å; I16-F50 HydrophobicContact CB-CB 4.4Å; I16-F50 HydrophobicContact CD1-CB 3.48Å; I16-F50 VanDerWaalsContact CD1-CB 3.48Å; I16-F50 HydrophobicContact CD1-CD2 3.82Å; I16-F50 HydrophobicContact CD1-CG 3.96Å; I16-F50 HydrophobicContact CG2-CB 4.31Å; I16-I51 HydrophobicContact CG2-CG1 4.13Å
17R81.2Confident74.2Confident93 Ų9370 Ų7035%0.35134%0.343SS..Hα-helixtrans-48.4-52.5-178.5-175179-172.2-162.21.2113.8Y13 Y19 V20 M21 V54 E58Y13-R17 VanDerWaalsContact O-CB 3.26Å; Y13-R17 WeakPolarHBondContact O-CB 3.33Å; Y13-R17 PolarHBondContact O-N 3.42Å; R17-Y19 VanDerWaalsContact C-N 3.31Å; R17-Y19 PolarHBondContact O-N 3.07Å; R17-V20 PolarHBondContact O-N 3.29Å; R17-M21 HydrophobicContact CG-CG 4.1Å; R17-M21 WeakPolarHBondContact O-CB 3.46Å; R17-M21 VanDerWaalsContact O-CG 3.22Å; R17-M21 WeakPolarHBondContact O-CG 3.43Å; R17-M21 PolarHBondContact O-N 3.39Å; R17-V54 HydrophobicContact CB-CG1 4.49Å; R17-V54 HydrophobicContact CB-CG2 4Å; R17-V54 HydrophobicContact CG-CG1 4.1Å; R17-V54 HydrophobicContact CG-CG2 4.38Å; R17-E58 IonicContact CZ-OE1 3.43Å; R17-E58 IonicContact NE-OE1 2.76Å; R17-E58 PolarHBondContact NE-OE1 3.4Å; R17-E58 IonicContact NH2-OE1 3.69Å; R17-E58 PolarHBondContact NH2-OE1 3.04Å
18P79.8Confident74.7Confident67 Ų6772.9 Ų72.944%0.43536%0.363SS..Hα-helixtrans-61.4-37.8-178.923.6-34.5000112.7E14 T15 M21 L22E14-P18 WeakPolarHBondContact O-CD 3.03Å; T15-P18 WeakPolarHBondContact O-CD 3.38Å; T15-P18 WeakPolarHBondContact O-CG 3.29Å; P18-M21 PolarHBondContact O-N 3.26Å; P18-L22 WeakPolarHBondContact O-CB 3.41Å; P18-L22 VanDerWaalsContact O-CG 3.27Å; P18-L22 WeakPolarHBondContact O-CG 3.49Å; P18-L22 PolarHBondContact O-N 2.99Å
19Y76.8Confident75.4Confident88 Ų8871.1 Ų71.135%0.34536%0.364SS..Hα-helixtrans-67.4-42.3177.3-63.6-72.8000112.4L3 T15 I16 R17 M21 L22 C23L3-Y19 HydrophobicContact CD1-CD1 3.31Å; L3-Y19 HydrophobicContact CD1-CD2 3.83Å; L3-Y19 HydrophobicContact CD1-CE1 3.87Å; L3-Y19 HydrophobicContact CD1-CE2 4.35Å; L3-Y19 HydrophobicContact CD1-CG 3.3Å; T15-Y19 WeakPolarHBondContact O-CD2 3.31Å; T15-Y19 VanDerWaalsContact O-CE2 3.29Å; T15-Y19 WeakPolarHBondContact O-CE2 3.42Å; I16-Y19 PolarHBondContact O-N 3.45Å; I16-Y19 VanDerWaalsContact O-N 3.12Å; R17-Y19 VanDerWaalsContact C-N 3.31Å; R17-Y19 PolarHBondContact O-N 3.07Å; Y19-M21 VanDerWaalsContact C-N 3.34Å; Y19-L22 WeakPolarHBondContact O-CB 3.49Å; Y19-L22 PolarHBondContact O-N 3.4Å; Y19-C23 PolarHBondContact O-N 3.2Å; Y19-C23 PolarHBondContact O-SG 3.12Å
20V79.8Confident75.6Confident0 Ų063.9 Ų63.90%033%0.333CS..Hα-helixtrans-64.9-40.8174.7176.40000110.6I16 R17 L22 C23 L24 L38 I51 V54 I55I16-V20 HydrophobicContact CG2-CG2 3.64Å; I16-V20 PolarHBondContact O-N 2.86Å; R17-V20 PolarHBondContact O-N 3.29Å; V20-L22 VanDerWaalsContact C-N 3.35Å; V20-L22 PolarHBondContact O-N 2.51Å; V20-C23 CarbonylContact O-C 3.59Å; V20-C23 WeakPolarHBondContact O-CA 3.39Å; V20-C23 WeakPolarHBondContact O-CB 3.49Å; V20-C23 PolarHBondContact O-N 3.24Å; V20-C23 VanDerWaalsContact O-N 3.08Å; V20-L24 HydrophobicContact CG1-CD1 4.06Å; V20-L24 WeakPolarHBondContact O-CG 3.39Å; V20-L24 PolarHBondContact O-N 2.87Å; V20-L38 HydrophobicContact CG2-CD2 4.21Å; V20-I51 HydrophobicContact CG2-CG1 3.97Å; V20-I51 HydrophobicContact CG2-CG2 4.45Å; V20-V54 HydrophobicContact CB-CB 4.48Å; V20-V54 HydrophobicContact CB-CG1 3.94Å; V20-V54 HydrophobicContact CG1-CB 4.3Å; V20-V54 HydrophobicContact CG1-CG1 3.74Å; V20-I55 HydrophobicContact CG1-CG1 4.29Å
21M79.8Confident75.7Confident59 Ų5962.1 Ų62.129%0.29133%0.329SS..Hα-helixtrans-67.3-32.9177.5-68.4-56.6-67.400112.9R17 P18 Y19 C23 L24 E58R17-M21 HydrophobicContact CG-CG 4.1Å; R17-M21 WeakPolarHBondContact O-CB 3.46Å; R17-M21 VanDerWaalsContact O-CG 3.22Å; R17-M21 WeakPolarHBondContact O-CG 3.43Å; R17-M21 PolarHBondContact O-N 3.39Å; P18-M21 PolarHBondContact O-N 3.26Å; Y19-M21 VanDerWaalsContact C-N 3.34Å; M21-C23 PolarHBondContact O-N 2.75Å; M21-L24 CarbonylContact O-C 3.45Å; M21-L24 PolarHBondContact O-N 2.78Å; M21-L24 HydrophobicContact SD-CD1 4.36Å; M21-E58 HydrophobicContact CE-CG 4.46Å; M21-E58 HydrophobicContact SD-CG 3.7Å
22L80.3Confident75.8Confident121 Ų12169.2 Ų69.263%0.63436%0.36SS*.Hα-helixtrans-62.2-31.7170.5-78.6164.3000112P18 Y19 V20 L24P18-L22 WeakPolarHBondContact O-CB 3.41Å; P18-L22 VanDerWaalsContact O-CG 3.27Å; P18-L22 WeakPolarHBondContact O-CG 3.49Å; P18-L22 PolarHBondContact O-N 2.99Å; Y19-L22 WeakPolarHBondContact O-CB 3.49Å; Y19-L22 PolarHBondContact O-N 3.4Å; V20-L22 VanDerWaalsContact C-N 3.35Å; V20-L22 PolarHBondContact O-N 2.51Å; L22-L24 PolarHBondContact O-N 3.46Å
23C75Confident75.6Confident6 Ų668.3 Ų68.34%0.04136%0.361CS..THydrogen-bonded Turntrans-79.4-5173.8-53.20000113.2Y19 V20 M21 P25 A30 C34 L38 I80Y19-C23 PolarHBondContact O-N 3.2Å; Y19-C23 PolarHBondContact O-SG 3.12Å; V20-C23 CarbonylContact O-C 3.59Å; V20-C23 WeakPolarHBondContact O-CA 3.39Å; V20-C23 WeakPolarHBondContact O-CB 3.49Å; V20-C23 PolarHBondContact O-N 3.24Å; V20-C23 VanDerWaalsContact O-N 3.08Å; M21-C23 PolarHBondContact O-N 2.75Å; C23-P25 WeakPolarHBondContact O-CD 3.31Å; C23-A30 VanDerWaalsContact O-CB 3.32Å; C23-A30 WeakPolarHBondContact O-CB 3.27Å; C23-C34 HydrophobicContact CB-CB 4.39Å; C23-C34 VanDerWaalsContact SG-CB 3.55Å; C23-L38 HydrophobicContact CB-CD1 3.68Å; C23-L38 WeakPolarHBondContact SG-CD1 3.32Å; C23-I80 HydrophobicContact CB-CD1 4.07Å
24L78.4Confident75.3Confident6 Ų667.5 Ų67.53%0.03136%0.361CS..  trans-120.356.8-177.8-66.3176.7000112V20 M21 L22 F73 N76 I77 I80V20-L24 HydrophobicContact CG1-CD1 4.06Å; V20-L24 WeakPolarHBondContact O-CG 3.39Å; V20-L24 PolarHBondContact O-N 2.87Å; M21-L24 CarbonylContact O-C 3.45Å; M21-L24 PolarHBondContact O-N 2.78Å; M21-L24 HydrophobicContact SD-CD1 4.36Å; L22-L24 PolarHBondContact O-N 3.46Å; L24-F73 HydrophobicContact CB-CD2 4.16Å; L24-F73 HydrophobicContact CB-CE2 3.77Å; L24-F73 HydrophobicContact CD1-CE2 4.25Å; L24-F73 HydrophobicContact CD1-CZ 4.39Å; L24-F73 HydrophobicContact CG-CE2 4.42Å; L24-N76 HydrophobicContact CD2-CB 3.9Å; L24-I77 HydrophobicContact CD1-CG1 4.41Å; L24-I77 HydrophobicContact CD2-CB 4.45Å; L24-I77 HydrophobicContact CD2-CG1 3.56Å; L24-I80 HydrophobicContact CD2-CD1 3.62Å; L24-I80 HydrophobicContact CG-CD1 3.96Å
25P75.9Confident75.1Confident35 Ų3562.1 Ų62.123%0.22734%0.337CS..  trans-63145.9169.926.6-30.8000110.4C23 S28 N76C23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-S28 WeakPolarHBondContact CG-O 3.22Å; P25-N76 PolarHBondContact O-ND2 3.29Å
26N70.7Confident74.9Confident76 Ų7662.9 Ų62.941%0.40635%0.345SS..SBendtrans-74.7-45.8174.1-66.6-27.8000110.4S70 F73N26-S70 VanDerWaalsContact C-OG 3.29Å; N26-S70 WeakPolarHBondContact CA-OG 3.44Å; N26-S70 VanDerWaalsContact O-CB 3.27Å; N26-S70 WeakPolarHBondContact O-CB 3.46Å; N26-S70 PolarHBondContact O-OG 3.4Å; N26-F73 WeakPolarHBondContact OD1-CD2 3.26Å
27D70.2Confident74.9Confident148 Ų14866.1 Ų66.179%0.79136%0.36SS*.SBendtrans-88.2-28-164.8-56.1-39000113.6N72D27-N72 PolarHBondContact O-ND2 3.36Å
28S76.1Confident74.5Confident65 Ų6562 Ų6246%0.45534%0.344SS..SBendtrans-117.2162.8-174.8680000113.2P25 N76P25-S28 WeakPolarHBondContact CG-O 3.22Å; S28-N76 PolarHBondContact O-ND2 2.96Å
29L73.7Confident74.4Confident111 Ų11164.1 Ų64.158%0.58135%0.347SS*.PPolyproline II helixtrans-65.2146.7161.4-70.2165.3000109.2N76L29-N76 WeakPolarHBondContact CA-OD1 3.47Å
30A69Low74.4Confident15 Ų1563.4 Ų63.412%0.12435%0.354CS..PPolyproline II helixtrans-62.1140.7175.800000110.6C23 I35 N76C23-A30 VanDerWaalsContact O-CB 3.32Å; C23-A30 WeakPolarHBondContact O-CB 3.27Å; A30-I35 HydrophobicContact CB-CD1 4.23Å; A30-I35 HydrophobicContact CB-CG1 4.39Å; A30-N76 HydrophobicContact CB-CB 4.46Å; A30-N76 PolarHBondContact N-OD1 3.12Å
31S69Low74.1Confident61 Ų6163.5 Ų63.543%0.42736%0.355SS..PPolyproline II helixtrans-65.6137.7175.1440000111.2S33 C34 I35S31-S33 PolarHBondContact O-N 3.12Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-OG 2.88Å; S31-C34 WeakPolarHBondContact O-CB 3.34Å; S31-C34 PolarHBondContact O-N 3.17Å; S31-C34 PolarHBondContact OG-SG 2.98Å; S31-I35 PolarHBondContact O-N 3.17Å
32E71.8Confident73.9Confident169 Ų16961.4 Ų61.479%0.7935%0.346SS*.Hα-helixtrans-54.4-31179.8-66.2-178173.400112.9I35 S36E32-I35 PolarHBondContact O-N 3.08Å; E32-S36 PolarHBondContact O-N 3.5Å
33S70.8Confident73.8Confident65 Ų6558.2 Ų58.246%0.45534%0.337SS..Hα-helixtrans-58.8-48.7174.152.40000112.3S31 I35 S36 E37S31-S33 PolarHBondContact O-N 3.12Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-OG 2.88Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.34Å; S33-S36 PolarHBondContact O-N 3.37Å; S33-S36 VanDerWaalsContact O-N 3.14Å; S33-S36 PolarHBondContact O-OG 3.47Å; S33-E37 PolarHBondContact O-N 2.9Å
34C69.5Low74Confident23 Ų2361.2 Ų61.216%0.15535%0.348CS..Hα-helixtrans-63.4-40.5-179.7-71.60000111.9C23 S31 S36 E37 L38C23-C34 HydrophobicContact CB-CB 4.39Å; C23-C34 VanDerWaalsContact SG-CB 3.55Å; S31-C34 WeakPolarHBondContact O-CB 3.34Å; S31-C34 PolarHBondContact O-N 3.17Å; S31-C34 PolarHBondContact OG-SG 2.98Å; C34-S36 VanDerWaalsContact C-N 3.34Å; C34-S36 PolarHBondContact O-N 3.29Å; C34-E37 PolarHBondContact O-N 3.08Å; C34-L38 PolarHBondContact O-N 3.01Å
35I73.1Confident74.1Confident44 Ų4461.9 Ų61.923%0.22635%0.351CS..Hα-helixtrans-62-42.4173.8-73.5167.5000110.9A30 S31 E32 S33 E37 L38 K39 L83A30-I35 HydrophobicContact CB-CD1 4.23Å; A30-I35 HydrophobicContact CB-CG1 4.39Å; S31-I35 PolarHBondContact O-N 3.17Å; E32-I35 PolarHBondContact O-N 3.08Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.34Å; I35-E37 PolarHBondContact O-N 3.44Å; I35-L38 PolarHBondContact O-N 2.97Å; I35-K39 WeakPolarHBondContact O-CB 3.36Å; I35-K39 PolarHBondContact O-N 3.43Å; I35-L83 HydrophobicContact CG2-CD1 3.83Å; I35-L83 HydrophobicContact CG2-CD2 4.44Å
36S74.7Confident74.2Confident63 Ų6360.7 Ų60.744%0.44134%0.343SS..Hα-helixtrans-65.7-37.3178.777.60000112.8E32 S33 C34 K39 C40E32-S36 PolarHBondContact O-N 3.5Å; S33-S36 PolarHBondContact O-N 3.37Å; S33-S36 VanDerWaalsContact O-N 3.14Å; S33-S36 PolarHBondContact O-OG 3.47Å; C34-S36 VanDerWaalsContact C-N 3.34Å; C34-S36 PolarHBondContact O-N 3.29Å; S36-K39 WeakPolarHBondContact O-CB 3.32Å; S36-K39 PolarHBondContact O-N 3.02Å; S36-C40 PolarHBondContact O-N 3.43Å; S36-C40 VanDerWaalsContact O-N 3.16Å
37E76.3Confident74.6Confident74 Ų7457.1 Ų57.135%0.34632%0.324SS..Hα-helixtrans-68.3-43.5175.8-71.9178.7-178.100111.9L3 S33 C34 I35 K39 C40 A41L3-E37 HydrophobicContact CB-CB 4.1Å; L3-E37 HydrophobicContact CB-CG 4.49Å; S33-E37 PolarHBondContact O-N 2.9Å; C34-E37 PolarHBondContact O-N 3.08Å; I35-E37 PolarHBondContact O-N 3.44Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.92Å; E37-C40 WeakPolarHBondContact O-CB 3.33Å; E37-C40 PolarHBondContact O-N 2.65Å; E37-C40 VanDerWaalsContact O-N 3.15Å; E37-A41 PolarHBondContact O-N 3.14Å
38L73.9Confident75.3Confident6 Ų650 Ų503%0.03129%0.286CS..Hα-helixtrans-62.4-35.2173.8-77.1179.7000112.3V20 C23 C34 I35 C40 A41 S42 I51 I80 L83V20-L38 HydrophobicContact CG2-CD2 4.21Å; C23-L38 HydrophobicContact CB-CD1 3.68Å; C23-L38 WeakPolarHBondContact SG-CD1 3.32Å; C34-L38 PolarHBondContact O-N 3.01Å; I35-L38 PolarHBondContact O-N 2.97Å; L38-C40 VanDerWaalsContact C-N 3.31Å; L38-C40 PolarHBondContact O-N 2.95Å; L38-A41 CarbonylContact O-C 3.59Å; L38-A41 WeakPolarHBondContact O-CB 3.2Å; L38-A41 PolarHBondContact O-N 3.49Å; L38-S42 WeakPolarHBondContact O-CB 3.47Å; L38-S42 PolarHBondContact O-N 3.03Å; L38-I51 HydrophobicContact CD2-CD1 4.05Å; L38-I51 HydrophobicContact CD2-CG1 4.4Å; L38-I80 HydrophobicContact CD1-CD1 3.89Å; L38-I80 HydrophobicContact CD1-CG1 3.83Å; L38-I80 HydrophobicContact CD1-CG2 4.32Å; L38-L83 HydrophobicContact CB-CD1 4.47Å
39K77.9Confident75.7Confident111 Ų11147.8 Ų47.848%0.48327%0.268SS..Hα-helixtrans-64.4-35.5174.3-174.3179.8-176.2172.80112.4I35 S36 E37 S42 L83I35-K39 WeakPolarHBondContact O-CB 3.36Å; I35-K39 PolarHBondContact O-N 3.43Å; S36-K39 WeakPolarHBondContact O-CB 3.32Å; S36-K39 PolarHBondContact O-N 3.02Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.92Å; K39-S42 PolarHBondContact O-OG 3.02Å; K39-S42 VanDerWaalsContact O-OG 3.14Å; K39-L83 HydrophobicContact CB-CD2 4.32Å; K39-L83 HydrophobicContact CD-CD2 4.33Å; K39-L83 HydrophobicContact CG-CD2 4.34Å
40C76.6Confident76.2Confident74 Ų7443.1 Ų43.150%0.524%0.243SC..Hα-helixtrans-68.7-38.5171.8-69.70000111.5S36 E37 L38 A43S36-C40 PolarHBondContact O-N 3.43Å; S36-C40 VanDerWaalsContact O-N 3.16Å; E37-C40 WeakPolarHBondContact O-CB 3.33Å; E37-C40 PolarHBondContact O-N 2.65Å; E37-C40 VanDerWaalsContact O-N 3.15Å; L38-C40 VanDerWaalsContact C-N 3.31Å; L38-C40 PolarHBondContact O-N 2.95Å; C40-A43 WeakPolarHBondContact O-CB 3.42Å
41A73.9Confident77Confident2 Ų242.5 Ų42.52%0.01724%0.237CC..Hα-helixtrans-69.6-37.8177.700000113L3 E37 L38 A43 Y44 C47 I51L3-A41 HydrophobicContact CD2-CB 3.57Å; E37-A41 PolarHBondContact O-N 3.14Å; L38-A41 CarbonylContact O-C 3.59Å; L38-A41 WeakPolarHBondContact O-CB 3.2Å; L38-A41 PolarHBondContact O-N 3.49Å; A41-A43 PolarHBondContact O-N 3.15Å; A41-A43 VanDerWaalsContact O-N 3.12Å; A41-Y44 PolarHBondContact O-N 3.41Å; A41-C47 HydrophobicContact CB-CB 4.2Å; A41-C47 WeakPolarHBondContact O-CB 3.49Å; A41-I51 HydrophobicContact CB-CD1 4.31Å
42S76.1Confident77.9Confident15 Ų1539.6 Ų39.611%0.10522%0.217CC..THydrogen-bonded Turntrans-67.2-11.3-178.8710000113.9L38 K39 Y44 T48 L83L38-S42 WeakPolarHBondContact O-CB 3.47Å; L38-S42 PolarHBondContact O-N 3.03Å; K39-S42 PolarHBondContact O-OG 3.02Å; K39-S42 VanDerWaalsContact O-OG 3.14Å; S42-Y44 PolarHBondContact O-N 3.37Å; S42-T48 PolarHBondContact O-OG1 3.25Å; S42-T48 VanDerWaalsContact O-OG1 3.06Å; S42-L83 PolarHBondContact OG-O 3.16Å
43A77.7Confident78.7Confident53 Ų5336.1 Ų36.144%0.43820%0.197SC..THydrogen-bonded Turntrans-66.9-16.6169.600000113.1C40 A41 P91C40-A43 WeakPolarHBondContact O-CB 3.42Å; A41-A43 PolarHBondContact O-N 3.15Å; A41-A43 VanDerWaalsContact O-N 3.12Å; A43-P91 VanDerWaalsContact O-CA 3.23Å; A43-P91 WeakPolarHBondContact O-CA 3.35Å; A43-P91 WeakPolarHBondContact O-CB 3.46Å
44Y79.4Confident79.5Confident69 Ų6933 Ų3327%0.27118%0.175SC..BIsolated β-bridgetrans-106.5141.7-179.2-54.8-86000112.3A41 S42 D46 T48 G93 L95A41-Y44 PolarHBondContact O-N 3.41Å; S42-Y44 PolarHBondContact O-N 3.37Å; Y44-D46 WeakPolarHBondContact CB-OD1 3.3Å; Y44-T48 WeakPolarHBondContact O-CB 3.4Å; Y44-T48 PolarHBondContact O-N 3.38Å; Y44-T48 PolarHBondContact O-OG1 3.48Å; Y44-G93 WeakPolarHBondContact CA-O 3.44Å; Y44-L95 HydrophobicContact CD1-CB 3.74Å; Y44-L95 HydrophobicContact CD1-CD1 4.42Å; Y44-L95 HydrophobicContact CD2-CB 3.98Å; Y44-L95 HydrophobicContact CD2-CD1 4.29Å; Y44-L95 HydrophobicContact CD2-CD2 4.28Å; Y44-L95 HydrophobicContact CD2-CG 4.42Å; Y44-L95 HydrophobicContact CE1-CB 4.15Å; Y44-L95 HydrophobicContact CE1-CD1 3.97Å; Y44-L95 HydrophobicContact CE2-CB 4.38Å; Y44-L95 HydrophobicContact CE2-CD1 3.85Å; Y44-L95 HydrophobicContact CE2-CD2 4.42Å; Y44-L95 HydrophobicContact CE2-CG 4.45Å; Y44-L95 HydrophobicContact CG-CB 3.64Å
45L79.7Confident80.4Confident20 Ų2032 Ų3211%0.10517%0.168CC..Hα-helixtrans-68.2-41.2-174.3-73.8169.7000113Y49 P91 G93 F94 S109 L114L45-Y49 PolarHBondContact O-N 2.92Å; L45-P91 HydrophobicContact CD2-CB 3.78Å; L45-P91 HydrophobicContact CD2-CG 3.61Å; L45-P91 VanDerWaalsContact CD2-O 3.32Å; L45-P91 WeakPolarHBondContact CD2-O 3.49Å; L45-P91 HydrophobicContact CG-CB 4.04Å; L45-P91 HydrophobicContact CG-CG 4.42Å; L45-P91 WeakPolarHBondContact CG-O 3.44Å; L45-G93 PolarHBondContact N-O 3.16Å; L45-F94 HydrophobicContact CB-CE1 4.32Å; L45-F94 HydrophobicContact CB-CZ 4.48Å; L45-F94 HydrophobicContact CD1-CE2 4.12Å; L45-F94 HydrophobicContact CD1-CZ 4.16Å; L45-S109 WeakPolarHBondContact CD2-O 3.35Å; L45-L114 HydrophobicContact CD2-CD1 3.72Å
46D78.3Confident81.2Confident10 Ų1030.9 Ų30.95%0.05316%0.162CC..Hα-helixtrans-64.1-49.8176.751.5-4.6000111.7V11 Y44 T48 Y49 F50 F94 L95 G96V11-D46 HydrophobicContact CG1-CB 4.06Å; Y44-D46 WeakPolarHBondContact CB-OD1 3.3Å; D46-T48 VanDerWaalsContact C-N 3.34Å; D46-T48 PolarHBondContact O-N 2.78Å; D46-Y49 WeakPolarHBondContact O-CB 3.36Å; D46-Y49 PolarHBondContact O-N 3.48Å; D46-F50 WeakPolarHBondContact O-CD2 3.17Å; D46-F50 PolarHBondContact O-N 3.08Å; D46-F94 HydrophobicContact CB-CD1 4.1Å; D46-L95 PolarHBondContact OD1-N 3.09Å; D46-L95 PolarHBondContact OD2-N 2.93Å; D46-G96 PolarHBondContact OD2-N 3.32Å
47C79.5Confident81.9Confident1 Ų129.7 Ų29.71%0.00715%0.152CC..Hα-helixtrans-60.8-44.6177.7-64.90000110.9A41 Y49 F50 I51A41-C47 HydrophobicContact CB-CB 4.2Å; A41-C47 WeakPolarHBondContact O-CB 3.49Å; C47-Y49 VanDerWaalsContact C-N 3.35Å; C47-Y49 PolarHBondContact O-N 3.05Å; C47-F50 PolarHBondContact O-N 3.32Å; C47-I51 WeakPolarHBondContact O-CB 3.28Å; C47-I51 WeakPolarHBondContact O-CD1 3.31Å; C47-I51 WeakPolarHBondContact O-CG1 3.43Å; C47-I51 PolarHBondContact O-N 2.98Å
48T83.9Confident82.4Confident0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-58-45.9175.8-59.70000111.7S42 Y44 D46 I51 L52 L84 L85 L114S42-T48 PolarHBondContact O-OG1 3.25Å; S42-T48 VanDerWaalsContact O-OG1 3.06Å; Y44-T48 WeakPolarHBondContact O-CB 3.4Å; Y44-T48 PolarHBondContact O-N 3.38Å; Y44-T48 PolarHBondContact O-OG1 3.48Å; D46-T48 VanDerWaalsContact C-N 3.34Å; D46-T48 PolarHBondContact O-N 2.78Å; T48-I51 PolarHBondContact O-N 3.38Å; T48-L52 HydrophobicContact CG2-CD1 4.24Å; T48-L52 VanDerWaalsContact O-CG 3.29Å; T48-L52 WeakPolarHBondContact O-CG 3.35Å; T48-L52 PolarHBondContact O-N 3.01Å; T48-L84 HydrophobicContact CG2-CD2 4.42Å; T48-L85 HydrophobicContact CG2-CD2 4.13Å; T48-L85 HydrophobicContact CG2-CG 4.31Å; T48-L114 HydrophobicContact CG2-CD1 4.21Å
49Y85.5Confident83Confident18 Ų1826.5 Ų26.57%0.07114%0.138CC..Hα-helixtrans-57.9-50.6176.2174.3-111.6000111.9L45 D46 C47 L52 R53 L105 H108 L114L45-Y49 PolarHBondContact O-N 2.92Å; D46-Y49 WeakPolarHBondContact O-CB 3.36Å; D46-Y49 PolarHBondContact O-N 3.48Å; C47-Y49 VanDerWaalsContact C-N 3.35Å; C47-Y49 PolarHBondContact O-N 3.05Å; Y49-L52 PolarHBondContact O-N 3.36Å; Y49-R53 WeakPolarHBondContact O-CB 3.24Å; Y49-R53 PolarHBondContact O-N 2.92Å; Y49-L105 HydrophobicContact CE1-CD2 4.34Å; Y49-H108 HydrophobicContact CD2-CB 3.89Å; Y49-H108 HydrophobicContact CE1-CB 4.31Å; Y49-H108 HydrophobicContact CE2-CB 3.5Å; Y49-H108 VanDerWaalsContact CE2-CB 3.5Å; Y49-H108 HydrophobicContact CG-CB 4.46Å; Y49-L114 HydrophobicContact CD2-CD2 4.08Å; Y49-L114 HydrophobicContact CG-CD2 4.43Å
50F84.1Confident83.6Confident13 Ų1324.8 Ų24.86%0.05713%0.133CC..Hα-helixtrans-68.5-37.1-177.3-72.2-62.3000112.6V11 I16 D46 C47 R53 V54 L105V11-F50 HydrophobicContact CG1-CD2 3.74Å; V11-F50 HydrophobicContact CG1-CE2 3.88Å; V11-F50 VanDerWaalsContact O-CE2 3.29Å; V11-F50 WeakPolarHBondContact O-CE2 3.47Å; I16-F50 HydrophobicContact CB-CB 4.4Å; I16-F50 HydrophobicContact CD1-CB 3.48Å; I16-F50 VanDerWaalsContact CD1-CB 3.48Å; I16-F50 HydrophobicContact CD1-CD2 3.82Å; I16-F50 HydrophobicContact CD1-CG 3.96Å; I16-F50 HydrophobicContact CG2-CB 4.31Å; D46-F50 WeakPolarHBondContact O-CD2 3.17Å; D46-F50 PolarHBondContact O-N 3.08Å; C47-F50 PolarHBondContact O-N 3.32Å; F50-R53 PolarHBondContact O-N 3.32Å; F50-V54 VanDerWaalsContact O-CG2 3.31Å; F50-V54 WeakPolarHBondContact O-CG2 3.5Å; F50-V54 PolarHBondContact O-N 2.96Å; F50-L105 HydrophobicContact CE1-CD2 4.27Å; F50-L105 HydrophobicContact CZ-CD2 3.79Å
51I85.8Confident84.1Confident2 Ų225.3 Ų25.31%0.0113%0.128CC..Hα-helixtrans-59.3-50.3173.3-68.6163.1000109.8I16 V20 L38 A41 C47 T48 R53 V54 I55 I80 L84I16-I51 HydrophobicContact CG2-CG1 4.13Å; V20-I51 HydrophobicContact CG2-CG1 3.97Å; V20-I51 HydrophobicContact CG2-CG2 4.45Å; L38-I51 HydrophobicContact CD2-CD1 4.05Å; L38-I51 HydrophobicContact CD2-CG1 4.4Å; A41-I51 HydrophobicContact CB-CD1 4.31Å; C47-I51 WeakPolarHBondContact O-CB 3.28Å; C47-I51 WeakPolarHBondContact O-CD1 3.31Å; C47-I51 WeakPolarHBondContact O-CG1 3.43Å; C47-I51 PolarHBondContact O-N 2.98Å; T48-I51 PolarHBondContact O-N 3.38Å; I51-R53 PolarHBondContact O-N 3.24Å; I51-V54 PolarHBondContact O-N 3.48Å; I51-I55 HydrophobicContact CG2-CD1 3.83Å; I51-I55 WeakPolarHBondContact O-CG1 3.4Å; I51-I55 PolarHBondContact O-N 3.42Å; I51-I80 HydrophobicContact CG2-CG2 4.04Å; I51-L84 HydrophobicContact CG2-CD1 4Å; I51-L84 HydrophobicContact CG2-CD2 4.32Å
52L88.1Confident84.7Confident0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-59.5-38.3176.4-69.9176.6000111.8T48 Y49 N56 L84 L114 Y117 F118 V121T48-L52 HydrophobicContact CG2-CD1 4.24Å; T48-L52 VanDerWaalsContact O-CG 3.29Å; T48-L52 WeakPolarHBondContact O-CG 3.35Å; T48-L52 PolarHBondContact O-N 3.01Å; Y49-L52 PolarHBondContact O-N 3.36Å; L52-N56 VanDerWaalsContact O-CB 3.26Å; L52-N56 WeakPolarHBondContact O-CB 3.29Å; L52-N56 PolarHBondContact O-N 2.9Å; L52-L84 HydrophobicContact CD2-CD1 3.45Å; L52-L84 VanDerWaalsContact CD2-CD1 3.45Å; L52-L84 HydrophobicContact CG-CD1 4.07Å; L52-L114 HydrophobicContact CD1-CD2 4.33Å; L52-Y117 HydrophobicContact CB-CD1 3.68Å; L52-Y117 HydrophobicContact CB-CE1 3.61Å; L52-Y117 HydrophobicContact CD1-CD1 4.09Å; L52-F118 HydrophobicContact CD1-CB 4.34Å; L52-F118 HydrophobicContact CD1-CD2 4.5Å; L52-F118 HydrophobicContact CD2-CD2 3.6Å; L52-F118 HydrophobicContact CD2-CE2 4.2Å; L52-V121 HydrophobicContact CB-CG2 4.21Å; L52-V121 HydrophobicContact CD2-CG2 4.19Å
53R87.7Confident85.1Confident96 Ų9629.6 Ų29.636%0.36215%0.145SC..Hα-helixtrans-67.4-42.7178.6-173.5177.7165.2170.9-4.9112.5Y13 Y49 F50 I51 T57 Y117Y13-R53 HydrophobicContact CD2-CG 4.09Å; Y13-R53 HydrophobicContact CE2-CB 4.49Å; Y13-R53 HydrophobicContact CE2-CG 3.98Å; Y49-R53 WeakPolarHBondContact O-CB 3.24Å; Y49-R53 PolarHBondContact O-N 2.92Å; F50-R53 PolarHBondContact O-N 3.32Å; I51-R53 PolarHBondContact O-N 3.24Å; R53-T57 WeakPolarHBondContact O-CB 3.38Å; R53-T57 PolarHBondContact O-N 2.99Å; R53-T57 PolarHBondContact O-OG1 3.41Å; R53-Y117 WeakPolarHBondContact CA-OH 3.44Å; R53-Y117 HydrophobicContact CB-CE1 4.39Å
54V87.5Confident85.5Confident0 Ų034.7 Ų34.70%016%0.16CC..Hα-helixtrans-61.3-51.4175.7172.50000109.7Y13 R17 V20 F50 I51 N56 T57 E58Y13-V54 HydrophobicContact CD2-CG2 3.82Å; Y13-V54 HydrophobicContact CE2-CB 4.25Å; Y13-V54 HydrophobicContact CE2-CG2 3.44Å; Y13-V54 VanDerWaalsContact CE2-CG2 3.44Å; R17-V54 HydrophobicContact CB-CG1 4.49Å; R17-V54 HydrophobicContact CB-CG2 4Å; R17-V54 HydrophobicContact CG-CG1 4.1Å; R17-V54 HydrophobicContact CG-CG2 4.38Å; V20-V54 HydrophobicContact CB-CB 4.48Å; V20-V54 HydrophobicContact CB-CG1 3.94Å; V20-V54 HydrophobicContact CG1-CB 4.3Å; V20-V54 HydrophobicContact CG1-CG1 3.74Å; F50-V54 VanDerWaalsContact O-CG2 3.31Å; F50-V54 WeakPolarHBondContact O-CG2 3.5Å; F50-V54 PolarHBondContact O-N 2.96Å; I51-V54 PolarHBondContact O-N 3.48Å; V54-N56 PolarHBondContact O-N 3.42Å; V54-T57 PolarHBondContact O-N 3.35Å; V54-E58 HydrophobicContact CG1-CG 4.46Å; V54-E58 WeakPolarHBondContact O-CG 3.41Å; V54-E58 PolarHBondContact O-N 2.7Å
55I89Confident85.8Confident1 Ų134.3 Ų34.31%0.00517%0.167CC..Hα-helixtrans-57.3-50.9179.3-66.2168.7000110.6V20 I51 T57 E58 L59 I77 I80 V121V20-I55 HydrophobicContact CG1-CG1 4.29Å; I51-I55 HydrophobicContact CG2-CD1 3.83Å; I51-I55 WeakPolarHBondContact O-CG1 3.4Å; I51-I55 PolarHBondContact O-N 3.42Å; I55-T57 VanDerWaalsContact C-N 3.3Å; I55-T57 PolarHBondContact O-N 3.21Å; I55-E58 PolarHBondContact O-N 3.38Å; I55-L59 HydrophobicContact CG2-CD1 3.68Å; I55-L59 HydrophobicContact CG2-CG 4.2Å; I55-L59 WeakPolarHBondContact O-CB 3.43Å; I55-L59 VanDerWaalsContact O-CG 3.24Å; I55-L59 WeakPolarHBondContact O-CG 3.35Å; I55-L59 PolarHBondContact O-N 3.22Å; I55-I77 HydrophobicContact CG2-CG2 3.98Å; I55-I80 HydrophobicContact CD1-CB 4.39Å; I55-I80 HydrophobicContact CD1-CG2 3.7Å; I55-V121 HydrophobicContact CB-CG1 4.49Å; I55-V121 HydrophobicContact CG2-CG1 3.83Å
56N90.1Very high85.6Confident20 Ų2039.6 Ų39.611%0.10720%0.195CC..Hα-helixtrans-62.1-38.7-178.9-167.132.6000112.4L52 V54 L59 L60 Y117 V121 S124L52-N56 VanDerWaalsContact O-CB 3.26Å; L52-N56 WeakPolarHBondContact O-CB 3.29Å; L52-N56 PolarHBondContact O-N 2.9Å; V54-N56 PolarHBondContact O-N 3.42Å; N56-L59 PolarHBondContact O-N 2.95Å; N56-L60 WeakPolarHBondContact O-CB 3.15Å; N56-L60 WeakPolarHBondContact O-CG 3.4Å; N56-L60 PolarHBondContact O-N 3.21Å; N56-Y117 WeakPolarHBondContact CB-OH 3.43Å; N56-Y117 PolarHBondContact ND2-OH 3.24Å; N56-Y117 VanDerWaalsContact ND2-OH 3.1Å; N56-V121 HydrophobicContact CB-CG2 3.85Å; N56-S124 VanDerWaalsContact OD1-CB 3.24Å; N56-S124 WeakPolarHBondContact OD1-CB 3.37Å; N56-S124 PolarHBondContact OD1-OG 3.41Å; N56-S124 VanDerWaalsContact OD1-OG 3.11Å
57T89.7Confident85.5Confident38 Ų3846.3 Ų46.323%0.23322%0.224CC..Hα-helixtrans-64.4-44.2177.8-55.10000111R53 V54 I55 L60 Q61R53-T57 WeakPolarHBondContact O-CB 3.38Å; R53-T57 PolarHBondContact O-N 2.99Å; R53-T57 PolarHBondContact O-OG1 3.41Å; V54-T57 PolarHBondContact O-N 3.35Å; I55-T57 VanDerWaalsContact C-N 3.3Å; I55-T57 PolarHBondContact O-N 3.21Å; T57-L60 PolarHBondContact O-N 2.97Å; T57-Q61 WeakPolarHBondContact O-CB 3.08Å; T57-Q61 VanDerWaalsContact O-CG 3.28Å; T57-Q61 WeakPolarHBondContact O-CG 3.44Å; T57-Q61 PolarHBondContact O-N 3.44Å
58E86.5Confident85.2Confident14 Ų1452.6 Ų52.67%0.06526%0.255CS..Hα-helixtrans-65.2-41.2176.9-67.1-67.2144.100111.6R17 M21 V54 I55 Q61 I62R17-E58 IonicContact CZ-OE1 3.43Å; R17-E58 IonicContact NE-OE1 2.76Å; R17-E58 PolarHBondContact NE-OE1 3.4Å; R17-E58 IonicContact NH2-OE1 3.69Å; R17-E58 PolarHBondContact NH2-OE1 3.04Å; M21-E58 HydrophobicContact CE-CG 4.46Å; M21-E58 HydrophobicContact SD-CG 3.7Å; V54-E58 HydrophobicContact CG1-CG 4.46Å; V54-E58 WeakPolarHBondContact O-CG 3.41Å; V54-E58 PolarHBondContact O-N 2.7Å; I55-E58 PolarHBondContact O-N 3.38Å; E58-Q61 PolarHBondContact O-N 3.03Å; E58-I62 VanDerWaalsContact O-CD1 3.31Å; E58-I62 WeakPolarHBondContact O-CD1 3.44Å; E58-I62 WeakPolarHBondContact O-CG1 3.22Å; E58-I62 PolarHBondContact O-N 3.36Å
59L87Confident84.9Confident0 Ų054.8 Ų54.80%026%0.264CS..Hα-helixtrans-61.7-44.4175.3-68.7171.2000112.1I55 N56 Q61 I62 K63 Y74 I77 V121 Y125 N128I55-L59 HydrophobicContact CG2-CD1 3.68Å; I55-L59 HydrophobicContact CG2-CG 4.2Å; I55-L59 WeakPolarHBondContact O-CB 3.43Å; I55-L59 VanDerWaalsContact O-CG 3.24Å; I55-L59 WeakPolarHBondContact O-CG 3.35Å; I55-L59 PolarHBondContact O-N 3.22Å; N56-L59 PolarHBondContact O-N 2.95Å; L59-Q61 VanDerWaalsContact C-N 3.35Å; L59-I62 PolarHBondContact O-N 3Å; L59-K63 PolarHBondContact O-N 3.26Å; L59-Y74 HydrophobicContact CD2-CE1 4.47Å; L59-I77 HydrophobicContact CD2-CD1 3.84Å; L59-V121 HydrophobicContact CD1-CG1 4.18Å; L59-Y125 HydrophobicContact CD1-CD2 4.42Å; L59-Y125 HydrophobicContact CD2-CD2 4.05Å; L59-N128 WeakPolarHBondContact CD2-ND2 3.32Å; L59-N128 PolarHBondContact O-OD1 2.98Å
60L88.9Confident84.8Confident75 Ų7555.8 Ų55.839%0.39327%0.274SS..Hα-helixtrans-66.1-37.3177.1-70.2172.1000112.1N56 T57 K63 Q64N56-L60 WeakPolarHBondContact O-CB 3.15Å; N56-L60 WeakPolarHBondContact O-CG 3.4Å; N56-L60 PolarHBondContact O-N 3.21Å; T57-L60 PolarHBondContact O-N 2.97Å; L60-K63 PolarHBondContact O-N 3.31Å; L60-Q64 VanDerWaalsContact O-CG 3.3Å; L60-Q64 WeakPolarHBondContact O-CG 3.45Å; L60-Q64 PolarHBondContact O-N 2.85Å
61Q87.6Confident84.7Confident85 Ų8557.6 Ų57.640%0.39729%0.285SS..Hα-helixtrans-65.7-42.1174.8-76.2177.77.700111.9T57 E58 L59 Q64 S65T57-Q61 WeakPolarHBondContact O-CB 3.08Å; T57-Q61 VanDerWaalsContact O-CG 3.28Å; T57-Q61 WeakPolarHBondContact O-CG 3.44Å; T57-Q61 PolarHBondContact O-N 3.44Å; E58-Q61 PolarHBondContact O-N 3.03Å; L59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-Q64 PolarHBondContact O-N 3.19Å; Q61-S65 WeakPolarHBondContact O-CB 3.14Å; Q61-S65 PolarHBondContact O-N 3.37Å; Q61-S65 PolarHBondContact O-OG 3.34Å
62I86.2Confident84.7Confident9 Ų959.8 Ų59.85%0.04630%0.296CS..Hα-helixtrans-58.9-50.3175.4-69.5158.5000109.9E58 L59 Q64 S65 N66 K67 K69 F73E58-I62 VanDerWaalsContact O-CD1 3.31Å; E58-I62 WeakPolarHBondContact O-CD1 3.44Å; E58-I62 WeakPolarHBondContact O-CG1 3.22Å; E58-I62 PolarHBondContact O-N 3.36Å; L59-I62 PolarHBondContact O-N 3Å; I62-Q64 VanDerWaalsContact C-N 3.33Å; I62-Q64 PolarHBondContact O-N 2.91Å; I62-S65 WeakPolarHBondContact CA-OG 3.2Å; I62-S65 PolarHBondContact O-N 3.04Å; I62-S65 VanDerWaalsContact O-N 3.08Å; I62-S65 PolarHBondContact O-OG 3.48Å; I62-N66 PolarHBondContact O-N 3.29Å; I62-K67 WeakPolarHBondContact CG2-O 3.32Å; I62-K69 HydrophobicContact CD1-CD 3.54Å; I62-K69 HydrophobicContact CD1-CG 4.25Å; I62-K69 HydrophobicContact CG1-CD 3.9Å; I62-K69 HydrophobicContact CG1-CG 4.3Å; I62-F73 HydrophobicContact CD1-CD1 4.39Å; I62-F73 HydrophobicContact CD1-CE1 3.46Å; I62-F73 VanDerWaalsContact CD1-CE1 3.46Å; I62-F73 HydrophobicContact CD1-CZ 3.9Å
63K85.7Confident84.6Confident97 Ų9759.8 Ų59.842%0.42230%0.296SS..Hα-helixtrans-57.5-43.7177.4-168.6176.7-176.3177.90112.4L59 L60 S65 N66 N128L59-K63 PolarHBondContact O-N 3.26Å; L60-K63 PolarHBondContact O-N 3.31Å; K63-S65 VanDerWaalsContact C-N 3.31Å; K63-S65 PolarHBondContact O-N 2.87Å; K63-N66 PolarHBondContact O-N 3.47Å; K63-N66 PolarHBondContact O-OD1 2.99Å; K63-N128 WeakPolarHBondContact CB-OD1 3.5Å
64Q86.1Confident84.6Confident161 Ų16155.3 Ų55.375%0.75228%0.279SS*.Hα-helixtrans-67-34177.1-73.8174.98.700112.6L60 Q61 I62 N66L60-Q64 VanDerWaalsContact O-CG 3.3Å; L60-Q64 WeakPolarHBondContact O-CG 3.45Å; L60-Q64 PolarHBondContact O-N 2.85Å; Q61-Q64 PolarHBondContact O-N 3.19Å; I62-Q64 VanDerWaalsContact C-N 3.33Å; I62-Q64 PolarHBondContact O-N 2.91Å; Q64-N66 VanDerWaalsContact C-N 3.31Å
65S84.4Confident84.6Confident60 Ų6059.2 Ų59.242%0.4229%0.294SS..Hα-helixtrans-78.4-13.1179.672.70000114Q61 I62 K63 K67Q61-S65 WeakPolarHBondContact O-CB 3.14Å; Q61-S65 PolarHBondContact O-N 3.37Å; Q61-S65 PolarHBondContact O-OG 3.34Å; I62-S65 WeakPolarHBondContact CA-OG 3.2Å; I62-S65 PolarHBondContact O-N 3.04Å; I62-S65 VanDerWaalsContact O-N 3.08Å; I62-S65 PolarHBondContact O-OG 3.48Å; K63-S65 VanDerWaalsContact C-N 3.31Å; K63-S65 PolarHBondContact O-N 2.87Å; S65-K67 PolarHBondContact O-N 2.89Å; S65-K67 VanDerWaalsContact O-N 3.09Å; S65-K67 PolarHBondContact OG-N 3.16Å
66N76.9Confident84.5Confident131 Ų13159.3 Ų59.370%0.70129%0.294SS*.THydrogen-bonded Turntrans47.631.1-171.5-72.3-17000113.4I62 K63 Q64I62-N66 PolarHBondContact O-N 3.29Å; K63-N66 PolarHBondContact O-N 3.47Å; K63-N66 PolarHBondContact O-OD1 2.99Å; Q64-N66 VanDerWaalsContact C-N 3.31Å
67K76.2Confident84.4Confident152 Ų15258.4 Ų58.466%0.66129%0.29SS*.PPolyproline II helixtrans-98.1116.9177-70-178.5-179.6-179.10109.3I62 S65 K69I62-K67 WeakPolarHBondContact CG2-O 3.32Å; S65-K67 PolarHBondContact O-N 2.89Å; S65-K67 VanDerWaalsContact O-N 3.09Å; S65-K67 PolarHBondContact OG-N 3.16Å; K67-K69 PolarHBondContact O-N 3.11Å
68M71.4Confident84.2Confident133 Ų13357.1 Ų57.166%0.65528%0.281SS*.PPolyproline II helixtrans-65.9118.9170.4-159.3172.29000108.8
69K78.4Confident84.2Confident45 Ų4558.7 Ų58.720%0.19629%0.294CS..PPolyproline II helixtrans-82.1167.2168.9-75.4-165.1176.7176.10109.8I62 K67 F73 Y74I62-K69 HydrophobicContact CD1-CD 3.54Å; I62-K69 HydrophobicContact CD1-CG 4.25Å; I62-K69 HydrophobicContact CG1-CD 3.9Å; I62-K69 HydrophobicContact CG1-CG 4.3Å; K67-K69 PolarHBondContact O-N 3.11Å; K69-F73 HydrophobicContact CB-CB 4.24Å; K69-F73 HydrophobicContact CB-CD1 3.95Å; K69-F73 HydrophobicContact CB-CG 4.21Å; K69-F73 HydrophobicContact CD-CB 4.5Å; K69-F73 HydrophobicContact CD-CD1 3.47Å; K69-F73 VanDerWaalsContact CD-CD1 3.47Å; K69-F73 HydrophobicContact CD-CD2 3.92Å; K69-F73 HydrophobicContact CD-CE1 3.5Å; K69-F73 VanDerWaalsContact CD-CE1 3.5Å; K69-F73 HydrophobicContact CD-CE2 3.94Å; K69-F73 HydrophobicContact CD-CG 3.7Å; K69-F73 HydrophobicContact CD-CZ 3.77Å; K69-F73 HydrophobicContact CG-CD1 4.35Å; K69-Y74 HydrophobicContact CB-CE2 4.07Å
70S82.8Confident84.1Confident39 Ų3958.9 Ų58.927%0.27330%0.295SS..PPolyproline II helixtrans-61.7149.4175.953.20000112.2N26 N72 F73 Y74N26-S70 VanDerWaalsContact C-OG 3.29Å; N26-S70 WeakPolarHBondContact CA-OG 3.44Å; N26-S70 VanDerWaalsContact O-CB 3.27Å; N26-S70 WeakPolarHBondContact O-CB 3.46Å; N26-S70 PolarHBondContact O-OG 3.4Å; S70-N72 PolarHBondContact O-N 3.01Å; S70-F73 WeakPolarHBondContact O-CB 3.22Å; S70-F73 PolarHBondContact O-N 3.41Å; S70-F73 PolarHBondContact OG-N 3.06Å; S70-Y74 WeakPolarHBondContact O-CD2 3.37Å
71D83Confident83.9Confident52 Ų5255.3 Ų55.328%0.27828%0.276SS..Hα-helixtrans-57.1-34.7174.7-71.4-3.8000112.2F73 Y74 R75 S131 V134D71-F73 VanDerWaalsContact C-N 3.32Å; D71-F73 PolarHBondContact O-N 3.22Å; D71-Y74 PolarHBondContact O-N 2.85Å; D71-R75 PolarHBondContact O-N 3.49Å; D71-S131 WeakPolarHBondContact OD1-CB 3.3Å; D71-S131 WeakPolarHBondContact OD2-CB 3.5Å; D71-S131 PolarHBondContact OD2-OG 3.27Å; D71-V134 HydrophobicContact CB-CG2 3.84Å
72N85.6Confident83.7Confident48 Ų4854.1 Ų54.126%0.25727%0.273SS..Hα-helixtrans-61.7-37.9176.5-69.3-18.1000112.3D27 S70 Y74 R75 N76D27-N72 PolarHBondContact O-ND2 3.36Å; S70-N72 PolarHBondContact O-N 3.01Å; N72-Y74 VanDerWaalsContact C-N 3.32Å; N72-Y74 PolarHBondContact O-N 3.14Å; N72-R75 PolarHBondContact O-N 3.01Å; N72-N76 WeakPolarHBondContact O-CB 3.49Å; N72-N76 PolarHBondContact O-N 3.44Å; N72-N76 PolarHBondContact O-ND2 3.22Å
73F86.6Confident83.4Confident0 Ų054.8 Ų54.80%028%0.276CS..Hα-helixtrans-60.3-44.5176177.1-94.6000111.1L24 N26 I62 K69 S70 D71 N76 I77L24-F73 HydrophobicContact CB-CD2 4.16Å; L24-F73 HydrophobicContact CB-CE2 3.77Å; L24-F73 HydrophobicContact CD1-CE2 4.25Å; L24-F73 HydrophobicContact CD1-CZ 4.39Å; L24-F73 HydrophobicContact CG-CE2 4.42Å; N26-F73 WeakPolarHBondContact OD1-CD2 3.26Å; I62-F73 HydrophobicContact CD1-CD1 4.39Å; I62-F73 HydrophobicContact CD1-CE1 3.46Å; I62-F73 VanDerWaalsContact CD1-CE1 3.46Å; I62-F73 HydrophobicContact CD1-CZ 3.9Å; K69-F73 HydrophobicContact CB-CB 4.24Å; K69-F73 HydrophobicContact CB-CD1 3.95Å; K69-F73 HydrophobicContact CB-CG 4.21Å; K69-F73 HydrophobicContact CD-CB 4.5Å; K69-F73 HydrophobicContact CD-CD1 3.47Å; K69-F73 VanDerWaalsContact CD-CD1 3.47Å; K69-F73 HydrophobicContact CD-CD2 3.92Å; K69-F73 HydrophobicContact CD-CE1 3.5Å; K69-F73 VanDerWaalsContact CD-CE1 3.5Å; K69-F73 HydrophobicContact CD-CE2 3.94Å; K69-F73 HydrophobicContact CD-CG 3.7Å; K69-F73 HydrophobicContact CD-CZ 3.77Å; K69-F73 HydrophobicContact CG-CD1 4.35Å; S70-F73 WeakPolarHBondContact O-CB 3.22Å; S70-F73 PolarHBondContact O-N 3.41Å; S70-F73 PolarHBondContact OG-N 3.06Å; D71-F73 VanDerWaalsContact C-N 3.32Å; D71-F73 PolarHBondContact O-N 3.22Å; F73-N76 PolarHBondContact O-N 3.48Å; F73-I77 HydrophobicContact CD1-CD1 3.66Å; F73-I77 HydrophobicContact CE1-CD1 3.18Å; F73-I77 HydrophobicContact CE1-CG1 4.21Å; F73-I77 HydrophobicContact CZ-CD1 3.76Å; F73-I77 HydrophobicContact CZ-CG1 4.44Å; F73-I77 WeakPolarHBondContact O-CG1 3.41Å; F73-I77 PolarHBondContact O-N 3.31Å
74Y86.9Confident83Confident2 Ų250.2 Ų50.21%0.00826%0.257CS..Hα-helixtrans-71.2-34179.1-67.4-68.5000113.3L59 K69 S70 D71 N72 I77 L78 Y125 N128 L130L59-Y74 HydrophobicContact CD2-CE1 4.47Å; K69-Y74 HydrophobicContact CB-CE2 4.07Å; S70-Y74 WeakPolarHBondContact O-CD2 3.37Å; D71-Y74 PolarHBondContact O-N 2.85Å; N72-Y74 VanDerWaalsContact C-N 3.32Å; N72-Y74 PolarHBondContact O-N 3.14Å; Y74-I77 HydrophobicContact CD1-CD1 4.24Å; Y74-I77 PolarHBondContact O-N 3.49Å; Y74-L78 PolarHBondContact O-N 3.18Å; Y74-Y125 HydrophobicContact CD1-CD2 4.36Å; Y74-Y125 AromaticContact CD1-CE2 3.81Å; Y74-Y125 HydrophobicContact CD1-CE2 3.81Å; Y74-Y125 HydrophobicContact CG-CE2 4.48Å; Y74-Y125 PolarHBondContact O-OH 3.13Å; Y74-N128 HydrophobicContact CE1-CB 4.15Å; Y74-L130 HydrophobicContact CD1-CD2 3.23Å; Y74-L130 HydrophobicContact CD2-CD2 3.79Å; Y74-L130 HydrophobicContact CE1-CD2 3.62Å; Y74-L130 HydrophobicContact CE2-CD2 4.13Å; Y74-L130 HydrophobicContact CG-CD2 3.31Å
75R87.2Confident82.4Confident81 Ų8142.8 Ų42.831%0.30622%0.222SC..Hα-helixtrans-65.3-40.6170.8-74.7-176.4173.4148.86.5112D71 N72 I77 L78 S79 V134 E137D71-R75 PolarHBondContact O-N 3.49Å; N72-R75 PolarHBondContact O-N 3.01Å; R75-I77 VanDerWaalsContact C-N 3.34Å; R75-I77 PolarHBondContact O-N 2.93Å; R75-L78 WeakPolarHBondContact O-CB 3.19Å; R75-L78 PolarHBondContact O-N 2.8Å; R75-L78 VanDerWaalsContact O-N 3.16Å; R75-S79 PolarHBondContact O-N 3.12Å; R75-S79 PolarHBondContact O-OG 3.02Å; R75-S79 VanDerWaalsContact O-OG 3.11Å; R75-V134 HydrophobicContact CG-CG2 4.41Å; R75-E137 IonicContact CZ-OE2 2.75Å; R75-E137 IonicContact NE-OE2 3.79Å; R75-E137 PolarHBondContact NE-OE2 2.83Å; R75-E137 IonicContact NH2-OE2 3.51Å
76N87.9Confident81.9Confident3 Ų342 Ų422%0.01621%0.212CC..Hα-helixtrans-62.6-42.3175-68.2-26.7000111L24 P25 S28 L29 A30 N72 F73 L78 S79 I80L24-N76 HydrophobicContact CD2-CB 3.9Å; P25-N76 PolarHBondContact O-ND2 3.29Å; S28-N76 PolarHBondContact O-ND2 2.96Å; L29-N76 WeakPolarHBondContact CA-OD1 3.47Å; A30-N76 HydrophobicContact CB-CB 4.46Å; A30-N76 PolarHBondContact N-OD1 3.12Å; N72-N76 WeakPolarHBondContact O-CB 3.49Å; N72-N76 PolarHBondContact O-N 3.44Å; N72-N76 PolarHBondContact O-ND2 3.22Å; F73-N76 PolarHBondContact O-N 3.48Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 3.29Å; N76-S79 PolarHBondContact O-N 3.32Å; N76-I80 WeakPolarHBondContact O-CG1 3.43Å; N76-I80 PolarHBondContact O-N 2.95Å
77I87.2Confident81.2Confident1 Ų138.6 Ų38.61%0.00520%0.197CC..Hα-helixtrans-59.3-45.9172.4-67.3161.7000110.7L24 I55 L59 F73 Y74 R75 S79 I80 L81 Y125L24-I77 HydrophobicContact CD1-CG1 4.41Å; L24-I77 HydrophobicContact CD2-CB 4.45Å; L24-I77 HydrophobicContact CD2-CG1 3.56Å; I55-I77 HydrophobicContact CG2-CG2 3.98Å; L59-I77 HydrophobicContact CD2-CD1 3.84Å; F73-I77 HydrophobicContact CD1-CD1 3.66Å; F73-I77 HydrophobicContact CE1-CD1 3.18Å; F73-I77 HydrophobicContact CE1-CG1 4.21Å; F73-I77 HydrophobicContact CZ-CD1 3.76Å; F73-I77 HydrophobicContact CZ-CG1 4.44Å; F73-I77 WeakPolarHBondContact O-CG1 3.41Å; F73-I77 PolarHBondContact O-N 3.31Å; Y74-I77 HydrophobicContact CD1-CD1 4.24Å; Y74-I77 PolarHBondContact O-N 3.49Å; R75-I77 VanDerWaalsContact C-N 3.34Å; R75-I77 PolarHBondContact O-N 2.93Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.48Å; I77-I80 PolarHBondContact O-N 2.74Å; I77-L81 HydrophobicContact CG2-CD1 3.84Å; I77-L81 HydrophobicContact CG2-CG 4.03Å; I77-L81 WeakPolarHBondContact O-CG 3.24Å; I77-L81 PolarHBondContact O-N 2.9Å; I77-Y125 HydrophobicContact CB-CD2 4.35Å; I77-Y125 HydrophobicContact CB-CE2 3.95Å; I77-Y125 HydrophobicContact CD1-CD2 4.47Å; I77-Y125 HydrophobicContact CD1-CE2 4.37Å; I77-Y125 HydrophobicContact CG2-CD2 3.69Å; I77-Y125 HydrophobicContact CG2-CE2 3.74Å
78L86.8Confident80.7Confident11 Ų1140 Ų406%0.05821%0.206CC..Hα-helixtrans-57.9-44.2178.1-178.362.8000111.4Y74 R75 N76 I80 L81 D82 W122 E137 Y141Y74-L78 PolarHBondContact O-N 3.18Å; R75-L78 WeakPolarHBondContact O-CB 3.19Å; R75-L78 PolarHBondContact O-N 2.8Å; R75-L78 VanDerWaalsContact O-N 3.16Å; N76-L78 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 3.29Å; L78-I80 VanDerWaalsContact C-N 3.3Å; L78-I80 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-D82 PolarHBondContact O-N 3.3Å; L78-W122 HydrophobicContact CD1-CH2 3.48Å; L78-W122 VanDerWaalsContact CD1-CH2 3.48Å; L78-W122 HydrophobicContact CD1-CZ2 4.36Å; L78-W122 HydrophobicContact CD1-CZ3 4.24Å; L78-E137 HydrophobicContact CD2-CG 4.08Å; L78-Y141 HydrophobicContact CD1-CD1 3.8Å; L78-Y141 HydrophobicContact CD1-CG 4Å
79S85.1Confident80.4Confident48 Ų4840.2 Ų40.234%0.33620%0.204SC..Hα-helixtrans-60.8-37.1174.1-560000112.6R75 N76 I77 L83R75-S79 PolarHBondContact O-N 3.12Å; R75-S79 PolarHBondContact O-OG 3.02Å; R75-S79 VanDerWaalsContact O-OG 3.11Å; N76-S79 PolarHBondContact O-N 3.32Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.48Å; S79-L83 WeakPolarHBondContact O-CG 3.48Å
80I84.7Confident79.8Confident3 Ų344.2 Ų44.22%0.01522%0.221CC..Hα-helixtrans-69.7-45.7174.8-63170.6000110.6C23 L24 L38 I51 I55 N76 I77 L78 D82 L83 L84C23-I80 HydrophobicContact CB-CD1 4.07Å; L24-I80 HydrophobicContact CD2-CD1 3.62Å; L24-I80 HydrophobicContact CG-CD1 3.96Å; L38-I80 HydrophobicContact CD1-CD1 3.89Å; L38-I80 HydrophobicContact CD1-CG1 3.83Å; L38-I80 HydrophobicContact CD1-CG2 4.32Å; I51-I80 HydrophobicContact CG2-CG2 4.04Å; I55-I80 HydrophobicContact CD1-CB 4.39Å; I55-I80 HydrophobicContact CD1-CG2 3.7Å; N76-I80 WeakPolarHBondContact O-CG1 3.43Å; N76-I80 PolarHBondContact O-N 2.95Å; I77-I80 PolarHBondContact O-N 2.74Å; L78-I80 VanDerWaalsContact C-N 3.3Å; L78-I80 PolarHBondContact O-N 3.1Å; I80-D82 PolarHBondContact O-N 2.93Å; I80-L83 WeakPolarHBondContact O-CB 3.38Å; I80-L83 PolarHBondContact O-N 2.91Å; I80-L84 HydrophobicContact CG2-CD1 4.36Å; I80-L84 WeakPolarHBondContact O-CG 3.37Å
81L85.5Confident78.9Confident0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-58.6-31.4178.3-67.6174.4000111.6I77 L78 L83 L84 F118 V121 W122I77-L81 HydrophobicContact CG2-CD1 3.84Å; I77-L81 HydrophobicContact CG2-CG 4.03Å; I77-L81 WeakPolarHBondContact O-CG 3.24Å; I77-L81 PolarHBondContact O-N 2.9Å; L78-L81 PolarHBondContact O-N 2.92Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 3.41Å; L81-L84 PolarHBondContact O-N 3.48Å; L81-F118 HydrophobicContact CB-CE2 4.35Å; L81-F118 HydrophobicContact CD2-CD2 4.3Å; L81-F118 HydrophobicContact CD2-CE2 3.65Å; L81-V121 HydrophobicContact CD2-CG1 4.13Å; L81-W122 HydrophobicContact CB-CZ2 3.86Å; L81-W122 HydrophobicContact CD1-CD2 4.1Å; L81-W122 HydrophobicContact CD1-CE3 4.3Å; L81-W122 HydrophobicContact CD1-CH2 4.01Å; L81-W122 HydrophobicContact CD1-CZ2 3.77Å; L81-W122 HydrophobicContact CD1-CZ3 4.25Å; L81-W122 HydrophobicContact CG-CZ2 4.41Å
82D84.3Confident78.1Confident60 Ų6045.4 Ų45.432%0.32123%0.233SC..Hα-helixtrans-65.4-28.5174.8-179.534.4000114.2L78 I80 L84 Y141 R149L78-D82 PolarHBondContact O-N 3.3Å; I80-D82 PolarHBondContact O-N 2.93Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 2.86Å; D82-Y141 WeakPolarHBondContact CA-OH 3.26Å; D82-Y141 HydrophobicContact CB-CE1 4.39Å; D82-Y141 HydrophobicContact CB-CE2 3.63Å; D82-Y141 WeakPolarHBondContact CB-OH 3.4Å; D82-Y141 VanDerWaalsContact CG-OH 3.28Å; D82-Y141 WeakPolarHBondContact OD1-CE2 3.17Å; D82-Y141 PolarHBondContact OD1-OH 3.19Å; D82-R149 PolarHBondContact O-NH1 3.21Å; D82-R149 IonicContact OD1-NH1 3.53Å; D82-R149 IonicContact OD1-NH2 3.39Å; D82-R149 PolarHBondContact OD1-NH2 2.86Å
83L77.9Confident77.4Confident23 Ų2344.5 Ų44.512%0.1224%0.235CC..Hα-helixtrans-81.1-13.8179.2-56.9167.6000113I35 L38 K39 S42 S79 I80 L81I35-L83 HydrophobicContact CG2-CD1 3.83Å; I35-L83 HydrophobicContact CG2-CD2 4.44Å; L38-L83 HydrophobicContact CB-CD1 4.47Å; K39-L83 HydrophobicContact CB-CD2 4.32Å; K39-L83 HydrophobicContact CD-CD2 4.33Å; K39-L83 HydrophobicContact CG-CD2 4.34Å; S42-L83 PolarHBondContact OG-O 3.16Å; S79-L83 WeakPolarHBondContact O-CG 3.48Å; I80-L83 WeakPolarHBondContact O-CB 3.38Å; I80-L83 PolarHBondContact O-N 2.91Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 3.41Å
84L78.3Confident76.4Confident2 Ų246.9 Ų46.91%0.0125%0.246CC..SBendtrans-93.6141.9-171.2-57.9179.2000111.7T48 I51 L52 I80 L81 D82 I86 F118 R149T48-L84 HydrophobicContact CG2-CD2 4.42Å; I51-L84 HydrophobicContact CG2-CD1 4Å; I51-L84 HydrophobicContact CG2-CD2 4.32Å; L52-L84 HydrophobicContact CD2-CD1 3.45Å; L52-L84 VanDerWaalsContact CD2-CD1 3.45Å; L52-L84 HydrophobicContact CG-CD1 4.07Å; I80-L84 HydrophobicContact CG2-CD1 4.36Å; I80-L84 WeakPolarHBondContact O-CG 3.37Å; L81-L84 PolarHBondContact O-N 3.48Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 2.86Å; L84-I86 VanDerWaalsContact C-N 3.32Å; L84-I86 PolarHBondContact O-N 3.11Å; L84-F118 HydrophobicContact CB-CE2 4.17Å; L84-R149 PolarHBondContact O-NH1 3.26Å
85L74Confident75.3Confident4 Ų447.5 Ų47.52%0.02125%0.249CC..  trans53.340.9170.9-60.8173000114.8T48 P87 P91 Y111 L114 F118 R149T48-L85 HydrophobicContact CG2-CD2 4.13Å; T48-L85 HydrophobicContact CG2-CG 4.31Å; L85-P87 WeakPolarHBondContact O-CD 3.43Å; L85-P91 HydrophobicContact CD2-CG 4.36Å; L85-Y111 HydrophobicContact CD2-CD2 3.99Å; L85-Y111 HydrophobicContact CD2-CE2 3.72Å; L85-L114 HydrophobicContact CD1-CB 4.3Å; L85-L114 HydrophobicContact CD2-CB 4.08Å; L85-L114 HydrophobicContact CD2-CD1 4.4Å; L85-F118 HydrophobicContact CD1-CB 3.57Å; L85-F118 HydrophobicContact CD1-CD1 4Å; L85-F118 HydrophobicContact CD1-CD2 4.29Å; L85-F118 HydrophobicContact CD1-CG 3.73Å; L85-R149 HydrophobicContact CB-CB 4.48Å; L85-R149 WeakPolarHBondContact O-CD 3.45Å; L85-R149 WeakPolarHBondContact O-CG 3.41Å
86I74.4Confident74.1Confident44 Ų4444.5 Ų44.523%0.22624%0.243CC..  trans-64.8124.5173.2-58.6170.6000109L84 E88 K89L84-I86 VanDerWaalsContact C-N 3.32Å; L84-I86 PolarHBondContact O-N 3.11Å; I86-E88 VanDerWaalsContact C-N 3.25Å; I86-E88 HydrophobicContact CG2-CB 4.27Å; I86-E88 PolarHBondContact O-N 3.1Å; I86-K89 CarbonylContact O-C 3.24Å; I86-K89 VanDerWaalsContact O-C 3.29Å; I86-K89 PolarHBondContact O-N 2.92Å
87P61.4Low72.9Confident59 Ų5952.8 Ų52.838%0.38328%0.282SS..THydrogen-bonded Turntrans-60.1-31.9-175.2-2635.5000114.4L85 K89 K90 R149L85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-K89 VanDerWaalsContact C-N 3.33Å; P87-K90 WeakPolarHBondContact O-CG 3.25Å; P87-R149 HydrophobicContact CG-CG 4.31Å
88E64.7Low71.7Confident181 Ų18159.3 Ų59.385%0.84632%0.316SS*.THydrogen-bonded Turntrans-72.7-24.9178.6-59.1-175.3165.300113.1I86I86-E88 VanDerWaalsContact C-N 3.25Å; I86-E88 HydrophobicContact CG2-CB 4.27Å; I86-E88 PolarHBondContact O-N 3.1Å
89K66.3Low70.5Confident138 Ų13860 Ų6060%0.632%0.321SS*.SBendtrans-123.765.5-177.4-68-179.3179.4175.40109.6I86 P87 P91I86-K89 CarbonylContact O-C 3.24Å; I86-K89 VanDerWaalsContact O-C 3.29Å; I86-K89 PolarHBondContact O-N 2.92Å; P87-K89 VanDerWaalsContact C-N 3.33Å; K89-P91 WeakPolarHBondContact O-CD 3.24Å
90K66.2Low69.8Low130 Ų13065.7 Ų65.757%0.56534%0.34SS*.  trans-60.9124.3178.5-67.4-178.9-175.3171.60109.8P87 S92P87-K90 WeakPolarHBondContact O-CG 3.25Å; K90-S92 PolarHBondContact O-N 3.24Å; K90-S92 VanDerWaalsContact O-N 3.1Å; K90-S92 PolarHBondContact O-OG 3.44Å
91P62.7Low68.6Low10 Ų1070.5 Ų70.57%0.06537%0.371CS..  trans-60.9119.4172.924.1-31.8000108.5A43 L45 L85 K89 Y111A43-P91 VanDerWaalsContact O-CA 3.23Å; A43-P91 WeakPolarHBondContact O-CA 3.35Å; A43-P91 WeakPolarHBondContact O-CB 3.46Å; L45-P91 HydrophobicContact CD2-CB 3.78Å; L45-P91 HydrophobicContact CD2-CG 3.61Å; L45-P91 VanDerWaalsContact CD2-O 3.32Å; L45-P91 WeakPolarHBondContact CD2-O 3.49Å; L45-P91 HydrophobicContact CG-CB 4.04Å; L45-P91 HydrophobicContact CG-CG 4.42Å; L45-P91 WeakPolarHBondContact CG-O 3.44Å; L85-P91 HydrophobicContact CD2-CG 4.36Å; K89-P91 WeakPolarHBondContact O-CD 3.24Å; P91-Y111 HydrophobicContact CG-CD2 4.3Å
92S65.9Low67.9Low106 Ų10679.4 Ų79.474%0.74141%0.41SS*.  trans-118.8-14.6-173.1-59.20000113K90K90-S92 PolarHBondContact O-N 3.24Å; K90-S92 VanDerWaalsContact O-N 3.1Å; K90-S92 PolarHBondContact O-OG 3.44Å
93G71Confident67.4Low29 Ų2978 Ų7830%0.29941%0.405SS..BIsolated β-bridgetrans-109.4158.1-179.500000113.3Y44 L45Y44-G93 WeakPolarHBondContact CA-O 3.44Å; L45-G93 PolarHBondContact N-O 3.16Å
94F67.2Low67.2Low49 Ų4982 Ų8222%0.21543%0.426CS..  trans-97.7138.7160.2-69.2-91.9000107.7L45 D46 L98 P99 F106L45-F94 HydrophobicContact CB-CE1 4.32Å; L45-F94 HydrophobicContact CB-CZ 4.48Å; L45-F94 HydrophobicContact CD1-CE2 4.12Å; L45-F94 HydrophobicContact CD1-CZ 4.16Å; D46-F94 HydrophobicContact CB-CD1 4.1Å; F94-L98 HydrophobicContact CB-CD2 4.36Å; F94-L98 HydrophobicContact CD2-CD2 3.6Å; F94-L98 HydrophobicContact CE2-CD2 4.2Å; F94-L98 HydrophobicContact CG-CD2 4.14Å; F94-P99 HydrophobicContact CD1-CG 4.14Å; F94-P99 HydrophobicContact CE1-CG 3.73Å; F94-P99 HydrophobicContact CZ-CG 4.3Å; F94-F106 HydrophobicContact CZ-CD2 4.36Å
95L62.4Low66.9Low16 Ų1685.7 Ų85.78%0.08445%0.445CS..SBendtrans-84.7-39.7175.7-177.961.7000110.9C4 L7 R8 V11 Y44 D46C4-L95 HydrophobicContact CB-CD1 4.41Å; C4-L95 HydrophobicContact CB-CD2 4.46Å; L7-L95 HydrophobicContact CB-CD2 3.58Å; L7-L95 HydrophobicContact CD1-CD2 4.3Å; R8-L95 HydrophobicContact CG-CD1 3.94Å; V11-L95 HydrophobicContact CG2-CB 4.21Å; V11-L95 HydrophobicContact CG2-CD2 4.46Å; V11-L95 HydrophobicContact CG2-CG 4.35Å; Y44-L95 HydrophobicContact CD1-CB 3.74Å; Y44-L95 HydrophobicContact CD1-CD1 4.42Å; Y44-L95 HydrophobicContact CD2-CB 3.98Å; Y44-L95 HydrophobicContact CD2-CD1 4.29Å; Y44-L95 HydrophobicContact CD2-CD2 4.28Å; Y44-L95 HydrophobicContact CD2-CG 4.42Å; Y44-L95 HydrophobicContact CE1-CB 4.15Å; Y44-L95 HydrophobicContact CE1-CD1 3.97Å; Y44-L95 HydrophobicContact CE2-CB 4.38Å; Y44-L95 HydrophobicContact CE2-CD1 3.85Å; Y44-L95 HydrophobicContact CE2-CD2 4.42Å; Y44-L95 HydrophobicContact CE2-CG 4.45Å; Y44-L95 HydrophobicContact CG-CB 3.64Å; D46-L95 PolarHBondContact OD1-N 3.09Å; D46-L95 PolarHBondContact OD2-N 2.93Å
96G61.6Low66.8Low17 Ų1788.7 Ų88.718%0.17546%0.458CS..SBendtrans-86.6-166.817700000113.6D46 L98D46-G96 PolarHBondContact OD2-N 3.32Å; G96-L98 PolarHBondContact O-N 2.94Å
97E63.3Low66.8Low177 Ų17793.6 Ų93.683%0.82747%0.474SS*.SBendtrans-59136.5171.8-66.4-171.2167.400111.2P99E97-P99 WeakPolarHBondContact O-CD 3.43Å
98L61.3Low67.7Low138 Ų13893.6 Ų93.672%0.72347%0.469SS*.  trans-55.8114174.9-77162000109.4F94 G96 K100F94-L98 HydrophobicContact CB-CD2 4.36Å; F94-L98 HydrophobicContact CD2-CD2 3.6Å; F94-L98 HydrophobicContact CE2-CD2 4.2Å; F94-L98 HydrophobicContact CG-CD2 4.14Å; G96-L98 PolarHBondContact O-N 2.94Å; L98-K100 PolarHBondContact O-N 3.16Å
99P63.1Low68.3Low25 Ų2585.1 Ų85.116%0.16243%0.429CS..  trans-64.5142.4-178.323.3-29.7000109.4F94 E97 L105 F106F94-P99 HydrophobicContact CD1-CG 4.14Å; F94-P99 HydrophobicContact CE1-CG 3.73Å; F94-P99 HydrophobicContact CZ-CG 4.3Å; E97-P99 WeakPolarHBondContact O-CD 3.43Å; P99-L105 HydrophobicContact CB-CB 4.04Å; P99-F106 HydrophobicContact CB-CB 4.22Å; P99-F106 HydrophobicContact CG-CB 4.06Å; P99-F106 HydrophobicContact CG-CD2 4.2Å
100K69.5Low69.1Low169 Ų16983.5 Ų83.574%0.73542%0.423SS*.  trans-51.1138.1178.8-66.6178.8-177.8174.50109.3L98 K102 S103 F106L98-K100 PolarHBondContact O-N 3.16Å; K100-K102 PolarHBondContact O-N 2.97Å; K100-S103 VanDerWaalsContact O-CB 3.24Å; K100-S103 WeakPolarHBondContact O-CB 3.29Å; K100-S103 PolarHBondContact O-N 3.42Å; K100-S103 PolarHBondContact O-OG 3.31Å; K100-F106 WeakPolarHBondContact O-CB 3.35Å
101P60.7Low69.9Low103 Ų10380.2 Ų80.267%0.66941%0.407SS*.THydrogen-bonded Turntrans-62.1-18.8-171.721.7-33.6000114.4F106P101-F106 WeakPolarHBondContact O-CD1 3.43Å
102K69.2Low71Confident187 Ų18783.1 Ų83.181%0.81343%0.428SS*.THydrogen-bonded Turntrans-95.9-4.7174.8-68.2-176.7177.5179.90114.1K100K100-K102 PolarHBondContact O-N 2.97Å
103S74Confident72Confident31 Ų3180.8 Ų80.822%0.21741%0.405CS..SBendtrans-70.6150.2179.968.40000111.1K100 L105 F106 R107K100-S103 VanDerWaalsContact O-CB 3.24Å; K100-S103 WeakPolarHBondContact O-CB 3.29Å; K100-S103 PolarHBondContact O-N 3.42Å; K100-S103 PolarHBondContact O-OG 3.31Å; S103-L105 PolarHBondContact O-N 3.31Å; S103-F106 PolarHBondContact O-N 2.91Å; S103-F106 PolarHBondContact OG-N 3Å; S103-F106 VanDerWaalsContact OG-N 3.16Å; S103-R107 PolarHBondContact O-N 2.69Å
104D73.6Confident72.7Confident108 Ų10879.4 Ų79.458%0.57839%0.391SS*.Hα-helixtrans-58.8-40.6172.7-65.8-42.8000110.6F106 R107 H108D104-F106 VanDerWaalsContact C-N 3.32Å; D104-F106 PolarHBondContact O-N 2.69Å; D104-R107 WeakPolarHBondContact O-CB 3.42Å; D104-R107 PolarHBondContact O-N 3.16Å; D104-H108 VanDerWaalsContact C-ND1 3.35Å; D104-H108 PolarHBondContact O-N 3.24Å; D104-H108 PolarHBondContact O-ND1 3.02Å
105L72Confident73.8Confident78 Ų7881 Ų8141%0.40840%0.395SS..Hα-helixtrans-54.4-45.7176.7-68.4169.7000112.1Y49 F50 P99 S103 R107 H108 S109Y49-L105 HydrophobicContact CE1-CD2 4.34Å; F50-L105 HydrophobicContact CE1-CD2 4.27Å; F50-L105 HydrophobicContact CZ-CD2 3.79Å; P99-L105 HydrophobicContact CB-CB 4.04Å; S103-L105 PolarHBondContact O-N 3.31Å; L105-R107 VanDerWaalsContact C-N 3.29Å; L105-R107 PolarHBondContact O-N 3.33Å; L105-H108 PolarHBondContact O-N 2.97Å; L105-S109 WeakPolarHBondContact O-CB 3.18Å; L105-S109 PolarHBondContact O-N 2.91Å; L105-S109 PolarHBondContact O-OG 3.39Å
106F72.7Confident75.1Confident67 Ų6784 Ų8429%0.29441%0.409SS..Hα-helixtrans-62-36.5177.2-176.9-98.1000112.7F94 P99 K100 P101 S103 D104F94-F106 HydrophobicContact CZ-CD2 4.36Å; P99-F106 HydrophobicContact CB-CB 4.22Å; P99-F106 HydrophobicContact CG-CB 4.06Å; P99-F106 HydrophobicContact CG-CD2 4.2Å; K100-F106 WeakPolarHBondContact O-CB 3.35Å; P101-F106 WeakPolarHBondContact O-CD1 3.43Å; S103-F106 PolarHBondContact O-N 2.91Å; S103-F106 PolarHBondContact OG-N 3Å; S103-F106 VanDerWaalsContact OG-N 3.16Å; D104-F106 VanDerWaalsContact C-N 3.32Å; D104-F106 PolarHBondContact O-N 2.69Å
107R75.2Confident76.4Confident148 Ų14884.4 Ų84.456%0.55841%0.405SS*.Hα-helixtrans-70.1-43.5177.5-66.2179.2176-174.1-1.5111.9S103 D104 L105 K110S103-R107 PolarHBondContact O-N 2.69Å; D104-R107 WeakPolarHBondContact O-CB 3.42Å; D104-R107 PolarHBondContact O-N 3.16Å; L105-R107 VanDerWaalsContact C-N 3.29Å; L105-R107 PolarHBondContact O-N 3.33Å; R107-K110 WeakPolarHBondContact O-CB 3.48Å; R107-K110 PolarHBondContact O-N 3.35Å
108H79.5Confident77.8Confident58 Ų5876 Ų7627%0.26937%0.366SS..Hα-helixtrans-73.5-28.3-178-66.689.7000112.6Y49 D104 L105 K110 H113 L114Y49-H108 HydrophobicContact CD2-CB 3.89Å; Y49-H108 HydrophobicContact CE1-CB 4.31Å; Y49-H108 HydrophobicContact CE2-CB 3.5Å; Y49-H108 VanDerWaalsContact CE2-CB 3.5Å; Y49-H108 HydrophobicContact CG-CB 4.46Å; D104-H108 VanDerWaalsContact C-ND1 3.35Å; D104-H108 PolarHBondContact O-N 3.24Å; D104-H108 PolarHBondContact O-ND1 3.02Å; L105-H108 PolarHBondContact O-N 2.97Å; H108-K110 PolarHBondContact O-N 2.81Å; H108-H113 AromaticContact CD2-CE1 3.62Å; H108-H113 AromaticContact CD2-NE2 3.24Å; H108-H113 PolarHBondContact CD2-NE2 2.97Å; H108-H113 AromaticContact CG-NE2 3.96Å; H108-H113 PolarHBondContact O-CD2 3.05Å; H108-L114 WeakPolarHBondContact O-CD2 3.38Å
109S78Confident79.2Confident3 Ų369.6 Ų69.62%0.02133%0.332CS..THydrogen-bonded Turntrans-79.2-0.6175.4-58.40000113.9L45 L105L45-S109 WeakPolarHBondContact CD2-O 3.35Å; L105-S109 WeakPolarHBondContact O-CB 3.18Å; L105-S109 PolarHBondContact O-N 2.91Å; L105-S109 PolarHBondContact O-OG 3.39Å
110K82.4Confident80.6Confident105 Ų10573.6 Ų73.646%0.45735%0.349SS..SBendtrans-67.5136.8174-71.4-173.7178.9-176.60110.3R107 H108 S112 H113 L114R107-K110 WeakPolarHBondContact O-CB 3.48Å; R107-K110 PolarHBondContact O-N 3.35Å; H108-K110 PolarHBondContact O-N 2.81Å; K110-S112 PolarHBondContact O-N 3.41Å; K110-S112 VanDerWaalsContact O-N 3.15Å; K110-H113 HydrophobicContact CB-CB 4.44Å; K110-H113 WeakPolarHBondContact O-CB 3.32Å; K110-H113 PolarHBondContact O-N 3.24Å; K110-L114 WeakPolarHBondContact O-CG 3.49Å; K110-L114 PolarHBondContact O-N 3.41Å
111Y81.9Confident81.6Confident60 Ų6065.5 Ų65.524%0.23531%0.314CS..Hα-helixtrans-52.5-40178.5-175.5-100.5000113.7L85 P91 L114 R115L85-Y111 HydrophobicContact CD2-CD2 3.99Å; L85-Y111 HydrophobicContact CD2-CE2 3.72Å; P91-Y111 HydrophobicContact CG-CD2 4.3Å; Y111-L114 PolarHBondContact O-N 2.98Å; Y111-R115 HydrophobicContact CD1-CG 4.39Å; Y111-R115 VanDerWaalsContact CE1-CD 3.41Å; Y111-R115 HydrophobicContact CE1-CG 4.01Å; Y111-R115 WeakPolarHBondContact O-CG 3.23Å; Y111-R115 PolarHBondContact O-N 3.46Å
112S85.6Confident83.2Confident72 Ų7260.6 Ų60.650%0.50328%0.282SS..Hα-helixtrans-60.4-48.717655.10000111.8K110 L114 R115 H116K110-S112 PolarHBondContact O-N 3.41Å; K110-S112 VanDerWaalsContact O-N 3.15Å; S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact O-N 2.7Å; S112-R115 PolarHBondContact O-N 3.21Å; S112-H116 PolarHBondContact O-CD2 3.06Å; S112-H116 PolarHBondContact O-N 3.29Å
113H86.9Confident84.3Confident57 Ų5753.4 Ų53.426%0.26425%0.252SS..Hα-helixtrans-62.5-42.6176.7-176.985000111.5H108 K110 R115 H116 Y117H108-H113 AromaticContact CD2-CE1 3.62Å; H108-H113 AromaticContact CD2-NE2 3.24Å; H108-H113 PolarHBondContact CD2-NE2 2.97Å; H108-H113 AromaticContact CG-NE2 3.96Å; H108-H113 PolarHBondContact O-CD2 3.05Å; K110-H113 HydrophobicContact CB-CB 4.44Å; K110-H113 WeakPolarHBondContact O-CB 3.32Å; K110-H113 PolarHBondContact O-N 3.24Å; H113-R115 PolarHBondContact O-N 2.82Å; H113-H116 PolarHBondContact O-N 2.98Å; H113-H116 VanDerWaalsContact O-N 3.14Å; H113-Y117 WeakPolarHBondContact O-CB 3.33Å; H113-Y117 PolarHBondContact O-N 2.93Å
114L87Confident85Confident0 Ų052.3 Ų52.30%024%0.244CC..Hα-helixtrans-57.6-36.7176.4-68.1177.2000112.2L45 T48 Y49 L52 L85 H108 K110 Y111 S112 Y117 F118L45-L114 HydrophobicContact CD2-CD1 3.72Å; T48-L114 HydrophobicContact CG2-CD1 4.21Å; Y49-L114 HydrophobicContact CD2-CD2 4.08Å; Y49-L114 HydrophobicContact CG-CD2 4.43Å; L52-L114 HydrophobicContact CD1-CD2 4.33Å; L85-L114 HydrophobicContact CD1-CB 4.3Å; L85-L114 HydrophobicContact CD2-CB 4.08Å; L85-L114 HydrophobicContact CD2-CD1 4.4Å; H108-L114 WeakPolarHBondContact O-CD2 3.38Å; K110-L114 WeakPolarHBondContact O-CG 3.49Å; K110-L114 PolarHBondContact O-N 3.41Å; Y111-L114 PolarHBondContact O-N 2.98Å; S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact O-N 2.7Å; L114-Y117 PolarHBondContact O-N 3.1Å; L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 3.3Å
115R88.9Confident85.9Confident81 Ų8147.2 Ų47.231%0.30622%0.217SC..Hα-helixtrans-67.6-41.8175.3-69.6-178.864.7-164.33.4113.2Y111 S112 H113 T119 R149 L150 A151Y111-R115 HydrophobicContact CD1-CG 4.39Å; Y111-R115 VanDerWaalsContact CE1-CD 3.41Å; Y111-R115 HydrophobicContact CE1-CG 4.01Å; Y111-R115 WeakPolarHBondContact O-CG 3.23Å; Y111-R115 PolarHBondContact O-N 3.46Å; S112-R115 PolarHBondContact O-N 3.21Å; H113-R115 PolarHBondContact O-N 2.82Å; R115-T119 PolarHBondContact O-N 3.43Å; R115-T119 VanDerWaalsContact O-N 3.09Å; R115-T119 PolarHBondContact O-OG1 3.41Å; R115-R149 WeakPolarHBondContact CG-O 3.48Å; R115-R149 PolarHBondContact NE-O 3.48Å; R115-L150 PolarHBondContact NH2-O 2.98Å; R115-A151 HydrophobicContact CB-CB 3.94Å
116H90.9Very high86.8Confident79 Ų7943.8 Ų43.837%0.36620%0.199SC..Hα-helixtrans-64-46173.7-70.2-80.4000110.5S112 H113 F118 T119 Q120 A151 E152S112-H116 PolarHBondContact O-CD2 3.06Å; S112-H116 PolarHBondContact O-N 3.29Å; H113-H116 PolarHBondContact O-N 2.98Å; H113-H116 VanDerWaalsContact O-N 3.14Å; H116-F118 VanDerWaalsContact C-N 3.34Å; H116-F118 PolarHBondContact O-N 3.47Å; H116-T119 WeakPolarHBondContact O-CB 3.29Å; H116-T119 PolarHBondContact O-N 2.93Å; H116-T119 VanDerWaalsContact O-N 3.12Å; H116-Q120 PolarHBondContact O-N 2.9Å; H116-A151 HydrophobicContact CB-CB 4.44Å; H116-A151 WeakPolarHBondContact ND1-CB 3.4Å; H116-E152 IonicContact CE1-OE1 3.47Å; H116-E152 PolarHBondContact CE1-OE1 2.7Å; H116-E152 VanDerWaalsContact CE1-OE1 3.3Å; H116-E152 IonicContact ND1-OE1 3.4Å; H116-E152 PolarHBondContact ND1-OE1 2.78Å
117Y89.4Confident87.7Confident27 Ų2743.9 Ų43.911%0.10620%0.203CC..Hα-helixtrans-63.8-39.8179-166.7-119.8000111.9L52 R53 N56 H113 L114 T119 Q120 V121L52-Y117 HydrophobicContact CB-CD1 3.68Å; L52-Y117 HydrophobicContact CB-CE1 3.61Å; L52-Y117 HydrophobicContact CD1-CD1 4.09Å; R53-Y117 WeakPolarHBondContact CA-OH 3.44Å; R53-Y117 HydrophobicContact CB-CE1 4.39Å; N56-Y117 WeakPolarHBondContact CB-OH 3.43Å; N56-Y117 PolarHBondContact ND2-OH 3.24Å; N56-Y117 VanDerWaalsContact ND2-OH 3.1Å; H113-Y117 WeakPolarHBondContact O-CB 3.33Å; H113-Y117 PolarHBondContact O-N 2.93Å; L114-Y117 PolarHBondContact O-N 3.1Å; Y117-T119 VanDerWaalsContact C-N 3.29Å; Y117-T119 PolarHBondContact O-N 2.86Å; Y117-Q120 CarbonylContact O-C 3.39Å; Y117-Q120 WeakPolarHBondContact O-CA 3.38Å; Y117-Q120 WeakPolarHBondContact O-CB 3.43Å; Y117-Q120 PolarHBondContact O-N 3.31Å; Y117-Q120 VanDerWaalsContact O-N 3.09Å; Y117-V121 HydrophobicContact CD1-CG2 4.26Å; Y117-V121 HydrophobicContact CE1-CG2 4.09Å; Y117-V121 VanDerWaalsContact O-CG2 3.25Å; Y117-V121 WeakPolarHBondContact O-CG2 3.38Å; Y117-V121 PolarHBondContact O-N 3.46Å
118F91.7Very high88.3Confident1 Ų137.2 Ų37.20%0.00418%0.178CC..Hα-helixtrans-59.3-40.9173.2-173.1-126.4000112L52 L81 L84 L85 L114 H116 Q120 V121 W122 R149 L150L52-F118 HydrophobicContact CD1-CB 4.34Å; L52-F118 HydrophobicContact CD1-CD2 4.5Å; L52-F118 HydrophobicContact CD2-CD2 3.6Å; L52-F118 HydrophobicContact CD2-CE2 4.2Å; L81-F118 HydrophobicContact CB-CE2 4.35Å; L81-F118 HydrophobicContact CD2-CD2 4.3Å; L81-F118 HydrophobicContact CD2-CE2 3.65Å; L84-F118 HydrophobicContact CB-CE2 4.17Å; L85-F118 HydrophobicContact CD1-CB 3.57Å; L85-F118 HydrophobicContact CD1-CD1 4Å; L85-F118 HydrophobicContact CD1-CD2 4.29Å; L85-F118 HydrophobicContact CD1-CG 3.73Å; L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 3.3Å; H116-F118 VanDerWaalsContact C-N 3.34Å; H116-F118 PolarHBondContact O-N 3.47Å; F118-Q120 VanDerWaalsContact C-N 3.32Å; F118-Q120 PolarHBondContact O-N 2.96Å; F118-V121 PolarHBondContact O-N 3.33Å; F118-W122 AromaticContact CD1-CD1 3.88Å; F118-W122 AromaticContact CD1-NE1 3.97Å; F118-W122 AromaticContact CD2-CD1 3.97Å; F118-W122 AromaticContact CE1-CD1 3.68Å; F118-W122 AromaticContact CE1-NE1 3.28Å; F118-W122 VanDerWaalsContact CE1-NE1 3.28Å; F118-W122 AromaticContact CE2-CD1 3.86Å; F118-W122 AromaticContact CE2-NE1 3.45Å; F118-W122 AromaticContact CZ-CD1 3.72Å; F118-W122 AromaticContact CZ-NE1 3.02Å; F118-W122 VanDerWaalsContact O-CD1 3.28Å; F118-W122 PolarHBondContact O-N 2.91Å; F118-R149 HydrophobicContact CD1-CB 4.25Å; F118-R149 HydrophobicContact CE1-CB 3.84Å; F118-L150 HydrophobicContact CD1-CD2 3.4Å; F118-L150 VanDerWaalsContact CD1-CD2 3.4Å; F118-L150 HydrophobicContact CD1-CG 4.43Å; F118-L150 HydrophobicContact CE1-CD2 3.82Å; F118-L150 HydrophobicContact CG-CD2 4.23Å
119T91.4Very high88.5Confident2 Ų240.8 Ų40.81%0.01220%0.195CC..Hα-helixtrans-60.8-42.9174-47.40000111.3R115 H116 Y117 W122 I123 L150 A151 E152R115-T119 PolarHBondContact O-N 3.43Å; R115-T119 VanDerWaalsContact O-N 3.09Å; R115-T119 PolarHBondContact O-OG1 3.41Å; H116-T119 WeakPolarHBondContact O-CB 3.29Å; H116-T119 PolarHBondContact O-N 2.93Å; H116-T119 VanDerWaalsContact O-N 3.12Å; Y117-T119 VanDerWaalsContact C-N 3.29Å; Y117-T119 PolarHBondContact O-N 2.86Å; T119-W122 PolarHBondContact O-N 3.47Å; T119-I123 HydrophobicContact CG2-CD1 4.21Å; T119-I123 VanDerWaalsContact O-CG1 3.31Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 2.86Å; T119-L150 HydrophobicContact CG2-CD2 4.48Å; T119-A151 PolarHBondContact OG1-N 3.45Å; T119-A151 VanDerWaalsContact OG1-N 3.09Å; T119-E152 HydrophobicContact CG2-CB 4.16Å; T119-E152 WeakPolarHBondContact CG2-O 3.29Å
120Q91.8Very high88.8Confident109 Ų10941 Ų4151%0.50920%0.196SC..Hα-helixtrans-64.8-38.9175.4-66.1176.3-15.600112.8H116 Y117 F118 W122 I123 S124H116-Q120 PolarHBondContact O-N 2.9Å; Y117-Q120 CarbonylContact O-C 3.39Å; Y117-Q120 WeakPolarHBondContact O-CA 3.38Å; Y117-Q120 WeakPolarHBondContact O-CB 3.43Å; Y117-Q120 PolarHBondContact O-N 3.31Å; Y117-Q120 VanDerWaalsContact O-N 3.09Å; F118-Q120 VanDerWaalsContact C-N 3.32Å; F118-Q120 PolarHBondContact O-N 2.96Å; Q120-W122 VanDerWaalsContact C-N 3.34Å; Q120-I123 PolarHBondContact O-N 3.39Å; Q120-S124 WeakPolarHBondContact O-CB 3.44Å; Q120-S124 PolarHBondContact O-N 2.96Å
121V91.6Very high89.1Confident0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-62.8-42.7175-179.80000110.6L52 I55 N56 L59 L81 Y117 F118 S124 Y125L52-V121 HydrophobicContact CB-CG2 4.21Å; L52-V121 HydrophobicContact CD2-CG2 4.19Å; I55-V121 HydrophobicContact CB-CG1 4.49Å; I55-V121 HydrophobicContact CG2-CG1 3.83Å; N56-V121 HydrophobicContact CB-CG2 3.85Å; L59-V121 HydrophobicContact CD1-CG1 4.18Å; L81-V121 HydrophobicContact CD2-CG1 4.13Å; Y117-V121 HydrophobicContact CD1-CG2 4.26Å; Y117-V121 HydrophobicContact CE1-CG2 4.09Å; Y117-V121 VanDerWaalsContact O-CG2 3.25Å; Y117-V121 WeakPolarHBondContact O-CG2 3.38Å; Y117-V121 PolarHBondContact O-N 3.46Å; F118-V121 PolarHBondContact O-N 3.33Å; V121-S124 WeakPolarHBondContact O-CB 3.22Å; V121-S124 PolarHBondContact O-N 2.8Å; V121-Y125 WeakPolarHBondContact O-CB 3.19Å; V121-Y125 PolarHBondContact O-N 2.86Å
122W93.1Very high89.4Confident0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-61.7-43.2174.9-89.6103.5000113L78 L81 F118 T119 Q120 S124 Y125 L126 Y141 L150 L156L78-W122 HydrophobicContact CD1-CH2 3.48Å; L78-W122 VanDerWaalsContact CD1-CH2 3.48Å; L78-W122 HydrophobicContact CD1-CZ2 4.36Å; L78-W122 HydrophobicContact CD1-CZ3 4.24Å; L81-W122 HydrophobicContact CB-CZ2 3.86Å; L81-W122 HydrophobicContact CD1-CD2 4.1Å; L81-W122 HydrophobicContact CD1-CE3 4.3Å; L81-W122 HydrophobicContact CD1-CH2 4.01Å; L81-W122 HydrophobicContact CD1-CZ2 3.77Å; L81-W122 HydrophobicContact CD1-CZ3 4.25Å; L81-W122 HydrophobicContact CG-CZ2 4.41Å; F118-W122 AromaticContact CD1-CD1 3.88Å; F118-W122 AromaticContact CD1-NE1 3.97Å; F118-W122 AromaticContact CD2-CD1 3.97Å; F118-W122 AromaticContact CE1-CD1 3.68Å; F118-W122 AromaticContact CE1-NE1 3.28Å; F118-W122 VanDerWaalsContact CE1-NE1 3.28Å; F118-W122 AromaticContact CE2-CD1 3.86Å; F118-W122 AromaticContact CE2-NE1 3.45Å; F118-W122 AromaticContact CZ-CD1 3.72Å; F118-W122 AromaticContact CZ-NE1 3.02Å; F118-W122 VanDerWaalsContact O-CD1 3.28Å; F118-W122 PolarHBondContact O-N 2.91Å; T119-W122 PolarHBondContact O-N 3.47Å; Q120-W122 VanDerWaalsContact C-N 3.34Å; W122-S124 VanDerWaalsContact C-N 3.34Å; W122-Y125 HydrophobicContact CE3-CD1 4.22Å; W122-Y125 HydrophobicContact CZ3-CD1 4.17Å; W122-Y125 HydrophobicContact CZ3-CE1 4.38Å; W122-Y125 WeakPolarHBondContact O-CB 3.41Å; W122-Y125 PolarHBondContact O-N 2.88Å; W122-L126 WeakPolarHBondContact O-CG 3.4Å; W122-L126 PolarHBondContact O-N 2.96Å; W122-Y141 AromaticContact CH2-CD1 3.85Å; W122-Y141 HydrophobicContact CH2-CD1 3.85Å; W122-Y141 HydrophobicContact CH2-CE1 4.31Å; W122-Y141 AromaticContact CZ2-CD1 3.98Å; W122-Y141 HydrophobicContact CZ2-CD1 3.98Å; W122-Y141 AromaticContact CZ2-CE1 3.97Å; W122-Y141 HydrophobicContact CZ2-CE1 3.97Å; W122-L150 HydrophobicContact CG-CD2 4.18Å; W122-L156 HydrophobicContact CB-CD2 4.43Å
123I92.1Very high89.4Confident35 Ų3540 Ų4018%0.17920%0.196CC..Hα-helixtrans-62.3-44.2174.5-67.8163.3000110.1T119 Q120 Y125 L126 N127 L155 L156T119-I123 HydrophobicContact CG2-CD1 4.21Å; T119-I123 VanDerWaalsContact O-CG1 3.31Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 2.86Å; Q120-I123 PolarHBondContact O-N 3.39Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.38Å; I123-L126 PolarHBondContact O-N 2.94Å; I123-N127 WeakPolarHBondContact CG2-ND2 3.3Å; I123-N127 WeakPolarHBondContact O-CB 3.5Å; I123-N127 PolarHBondContact O-N 3.46Å; I123-N127 PolarHBondContact O-ND2 3.24Å; I123-L155 HydrophobicContact CD1-CB 3.67Å; I123-L155 HydrophobicContact CD1-CD1 3.7Å; I123-L155 HydrophobicContact CD1-CG 4.36Å; I123-L155 HydrophobicContact CG1-CB 4.5Å; I123-L156 HydrophobicContact CG1-CD2 4Å
124S90.1Very high89.6Confident9 Ų937.2 Ų37.26%0.06318%0.184CC..Hα-helixtrans-59.9-40.1175.7-169.50000111.6N56 Q120 V121 W122 N128N56-S124 VanDerWaalsContact OD1-CB 3.24Å; N56-S124 WeakPolarHBondContact OD1-CB 3.37Å; N56-S124 PolarHBondContact OD1-OG 3.41Å; N56-S124 VanDerWaalsContact OD1-OG 3.11Å; Q120-S124 WeakPolarHBondContact O-CB 3.44Å; Q120-S124 PolarHBondContact O-N 2.96Å; V121-S124 WeakPolarHBondContact O-CB 3.22Å; V121-S124 PolarHBondContact O-N 2.8Å; W122-S124 VanDerWaalsContact C-N 3.34Å; S124-N128 PolarHBondContact O-ND2 2.99Å
125Y92.3Very high89.8Confident0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-63.5-54176.9177.4-94000112L59 Y74 I77 V121 W122 I123 N127 N128 L130 S138L59-Y125 HydrophobicContact CD1-CD2 4.42Å; L59-Y125 HydrophobicContact CD2-CD2 4.05Å; Y74-Y125 HydrophobicContact CD1-CD2 4.36Å; Y74-Y125 AromaticContact CD1-CE2 3.81Å; Y74-Y125 HydrophobicContact CD1-CE2 3.81Å; Y74-Y125 HydrophobicContact CG-CE2 4.48Å; Y74-Y125 PolarHBondContact O-OH 3.13Å; I77-Y125 HydrophobicContact CB-CD2 4.35Å; I77-Y125 HydrophobicContact CB-CE2 3.95Å; I77-Y125 HydrophobicContact CD1-CD2 4.47Å; I77-Y125 HydrophobicContact CD1-CE2 4.37Å; I77-Y125 HydrophobicContact CG2-CD2 3.69Å; I77-Y125 HydrophobicContact CG2-CE2 3.74Å; V121-Y125 WeakPolarHBondContact O-CB 3.19Å; V121-Y125 PolarHBondContact O-N 2.86Å; W122-Y125 HydrophobicContact CE3-CD1 4.22Å; W122-Y125 HydrophobicContact CZ3-CD1 4.17Å; W122-Y125 HydrophobicContact CZ3-CE1 4.38Å; W122-Y125 WeakPolarHBondContact O-CB 3.41Å; W122-Y125 PolarHBondContact O-N 2.88Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.38Å; Y125-N127 VanDerWaalsContact C-N 3.27Å; Y125-N127 PolarHBondContact O-N 3.4Å; Y125-N128 WeakPolarHBondContact O-CB 3.28Å; Y125-N128 PolarHBondContact O-N 3.25Å; Y125-N128 VanDerWaalsContact O-N 3.13Å; Y125-N128 PolarHBondContact O-ND2 3.34Å; Y125-L130 HydrophobicContact CD1-CD1 4.13Å; Y125-L130 HydrophobicContact CE1-CD1 3.74Å; Y125-L130 HydrophobicContact CE1-CD2 4.3Å; Y125-L130 HydrophobicContact CE2-CD2 4.35Å; Y125-S138 WeakPolarHBondContact CE1-OG 3.39Å; Y125-S138 PolarHBondContact OH-OG 3.35Å
126L90.6Very high89.8Confident7 Ų736.9 Ų36.94%0.03718%0.184CC..Hα-helixtrans-69.4-23.3-178.2-67.4177.2000113.7W122 I123 N128 L130 L156 H159W122-L126 WeakPolarHBondContact O-CG 3.4Å; W122-L126 PolarHBondContact O-N 2.96Å; I123-L126 PolarHBondContact O-N 2.94Å; L126-N128 PolarHBondContact O-N 2.86Å; L126-L130 HydrophobicContact CD2-CD1 4.14Å; L126-L156 HydrophobicContact CD1-CD2 3.64Å; L126-H159 HydrophobicContact CB-CB 4.5Å; L126-H159 HydrophobicContact CD1-CB 4Å
127N90.6Very high89.8Confident68 Ų6836.6 Ų36.636%0.36418%0.183SC..THydrogen-bonded Turntrans-71.1-11.3173-84.6-45.1000114I123 Y125 H159I123-N127 WeakPolarHBondContact CG2-ND2 3.3Å; I123-N127 WeakPolarHBondContact O-CB 3.5Å; I123-N127 PolarHBondContact O-N 3.46Å; I123-N127 PolarHBondContact O-ND2 3.24Å; Y125-N127 VanDerWaalsContact C-N 3.27Å; Y125-N127 PolarHBondContact O-N 3.4Å; N127-H159 PolarHBondContact OD1-CE1 2.83Å; N127-H159 VanDerWaalsContact OD1-CE1 3.27Å
128N88.2Confident89.8Confident8 Ų835.3 Ų35.34%0.04318%0.178CC..SBendtrans-79.8158.4173.7-68.3-60.2000111.3L59 K63 Y74 S124 Y125 L126 L130L59-N128 WeakPolarHBondContact CD2-ND2 3.32Å; L59-N128 PolarHBondContact O-OD1 2.98Å; K63-N128 WeakPolarHBondContact CB-OD1 3.5Å; Y74-N128 HydrophobicContact CE1-CB 4.15Å; S124-N128 PolarHBondContact O-ND2 2.99Å; Y125-N128 WeakPolarHBondContact O-CB 3.28Å; Y125-N128 PolarHBondContact O-N 3.25Å; Y125-N128 VanDerWaalsContact O-N 3.13Å; Y125-N128 PolarHBondContact O-ND2 3.34Å; L126-N128 PolarHBondContact O-N 2.86Å; N128-L130 PolarHBondContact O-N 3.25Å
129E83Confident89.8Confident133 Ų13335.3 Ų35.362%0.62118%0.178SC*.  trans-72.480.2172.6-65.2-178.9174.900110
130L85.2Confident89.6Confident8 Ų840 Ų404%0.04220%0.195CC..  trans-79.1145.4171.7-59.3165.8000110.1Y74 Y125 L126 N128 V134 R135Y74-L130 HydrophobicContact CD1-CD2 3.23Å; Y74-L130 HydrophobicContact CD2-CD2 3.79Å; Y74-L130 HydrophobicContact CE1-CD2 3.62Å; Y74-L130 HydrophobicContact CE2-CD2 4.13Å; Y74-L130 HydrophobicContact CG-CD2 3.31Å; Y125-L130 HydrophobicContact CD1-CD1 4.13Å; Y125-L130 HydrophobicContact CE1-CD1 3.74Å; Y125-L130 HydrophobicContact CE1-CD2 4.3Å; Y125-L130 HydrophobicContact CE2-CD2 4.35Å; L126-L130 HydrophobicContact CD2-CD1 4.14Å; N128-L130 PolarHBondContact O-N 3.25Å; L130-V134 HydrophobicContact CD2-CG1 4.33Å; L130-R135 HydrophobicContact CB-CB 4.26Å; L130-R135 HydrophobicContact CD1-CB 4.48Å; L130-R135 PolarHBondContact O-NH1 3.42Å; L130-R135 PolarHBondContact O-NH2 3.05Å
131S89Confident89.3Confident36 Ų3636.8 Ų36.825%0.25218%0.179SC..  trans-57145.5161176.30000110.3D71 D133 V134 R135D71-S131 WeakPolarHBondContact OD1-CB 3.3Å; D71-S131 WeakPolarHBondContact OD2-CB 3.5Å; D71-S131 PolarHBondContact OD2-OG 3.27Å; S131-D133 VanDerWaalsContact C-N 3.29Å; S131-D133 PolarHBondContact O-N 3.38Å; S131-V134 PolarHBondContact O-N 3.24Å; S131-V134 VanDerWaalsContact O-N 3.16Å; S131-R135 PolarHBondContact O-N 2.9Å
132D87.1Confident89.1Confident78 Ų7836.9 Ų36.942%0.41718%0.179SC..Hα-helixtrans-60-39.8-174.4-67.3-31.3000112V134 R135 I136 W184D132-V134 PolarHBondContact O-N 2.86Å; D132-R135 PolarHBondContact O-N 3.47Å; D132-R135 IonicContact OD1-NH1 3.67Å; D132-R135 PolarHBondContact OD1-NH1 2.96Å; D132-I136 VanDerWaalsContact O-CD1 3.3Å; D132-I136 WeakPolarHBondContact O-CD1 3.48Å; D132-I136 VanDerWaalsContact O-CG1 3.28Å; D132-I136 WeakPolarHBondContact O-CG1 3.4Å; D132-I136 PolarHBondContact O-N 2.68Å; D132-W184 HydrophobicContact CB-CH2 3.65Å; D132-W184 HydrophobicContact CB-CZ2 4.03Å; D132-W184 HydrophobicContact CB-CZ3 4.27Å
133D87.6Confident88.6Confident101 Ų10137 Ų3754%0.5418%0.18SC..Hα-helixtrans-59.7-46.3176.7-69.3-24.6000111.8S131 R135 I136 E137S131-D133 VanDerWaalsContact C-N 3.29Å; S131-D133 PolarHBondContact O-N 3.38Å; D133-R135 VanDerWaalsContact C-N 3.35Å; D133-I136 PolarHBondContact O-N 3.38Å; D133-E137 VanDerWaalsContact O-CB 3.29Å; D133-E137 WeakPolarHBondContact O-CB 3.5Å; D133-E137 PolarHBondContact O-N 3.31Å
134V90.1Very high88.1Confident0 Ų040.1 Ų40.10%020%0.197CC..Hα-helixtrans-68.2-37.5179.7-179.30000110.7D71 R75 L130 S131 D132 E137 S138D71-V134 HydrophobicContact CB-CG2 3.84Å; R75-V134 HydrophobicContact CG-CG2 4.41Å; L130-V134 HydrophobicContact CD2-CG1 4.33Å; S131-V134 PolarHBondContact O-N 3.24Å; S131-V134 VanDerWaalsContact O-N 3.16Å; D132-V134 PolarHBondContact O-N 2.86Å; V134-E137 PolarHBondContact O-N 3.46Å; V134-S138 VanDerWaalsContact O-CB 3.3Å; V134-S138 WeakPolarHBondContact O-CB 3.49Å; V134-S138 PolarHBondContact O-N 3.04Å; V134-S138 PolarHBondContact O-OG 3.09Å
135R91.2Very high87.5Confident56 Ų5644.7 Ų44.721%0.21122%0.218CC..Hα-helixtrans-61.8-46.3176.7-174.3177-68.2108.64.5110.9L130 S131 D132 D133 S138 I139 I163L130-R135 HydrophobicContact CB-CB 4.26Å; L130-R135 HydrophobicContact CD1-CB 4.48Å; L130-R135 PolarHBondContact O-NH1 3.42Å; L130-R135 PolarHBondContact O-NH2 3.05Å; S131-R135 PolarHBondContact O-N 2.9Å; D132-R135 PolarHBondContact O-N 3.47Å; D132-R135 IonicContact OD1-NH1 3.67Å; D132-R135 PolarHBondContact OD1-NH1 2.96Å; D133-R135 VanDerWaalsContact C-N 3.35Å; R135-S138 WeakPolarHBondContact O-CB 3.32Å; R135-S138 PolarHBondContact O-N 3.12Å; R135-I139 HydrophobicContact CG-CD1 4.13Å; R135-I139 VanDerWaalsContact O-CG1 3.32Å; R135-I139 WeakPolarHBondContact O-CG1 3.29Å; R135-I139 PolarHBondContact O-N 3.09Å; R135-I163 HydrophobicContact CG-CD1 4.09Å
136I89.5Confident86.8Confident18 Ų1844.7 Ų44.79%0.09222%0.218CC..Hα-helixtrans-67.8-44179-63.2154.9000110.8D132 D133 S138 I139 R140 W184 A187D132-I136 VanDerWaalsContact O-CD1 3.3Å; D132-I136 WeakPolarHBondContact O-CD1 3.48Å; D132-I136 VanDerWaalsContact O-CG1 3.28Å; D132-I136 WeakPolarHBondContact O-CG1 3.4Å; D132-I136 PolarHBondContact O-N 2.68Å; D133-I136 PolarHBondContact O-N 3.38Å; I136-S138 VanDerWaalsContact C-N 3.26Å; I136-S138 PolarHBondContact O-N 3.19Å; I136-I139 PolarHBondContact O-N 3.37Å; I136-R140 HydrophobicContact CG2-CG 4.3Å; I136-R140 VanDerWaalsContact O-CG 3.3Å; I136-R140 WeakPolarHBondContact O-CG 3.49Å; I136-R140 PolarHBondContact O-N 3.43Å; I136-W184 HydrophobicContact CD1-CB 4.09Å; I136-W184 HydrophobicContact CD1-CD2 3.4Å; I136-W184 HydrophobicContact CD1-CE3 4.12Å; I136-W184 HydrophobicContact CD1-CG 3.37Å; I136-W184 HydrophobicContact CD1-CZ2 4.08Å; I136-W184 VanDerWaalsContact CD1-NE1 3.32Å; I136-W184 HydrophobicContact CG1-CB 4.49Å; I136-W184 HydrophobicContact CG1-CD2 4.45Å; I136-W184 HydrophobicContact CG1-CG 4.25Å; I136-A187 HydrophobicContact CG2-CB 4.12Å
137E89.5Confident86.4Confident73 Ų7344.4 Ų44.434%0.34122%0.216SC..Hα-helixtrans-54.7-45174.8-174178.5179.900111.2R75 L78 D133 V134 R140 Y141R75-E137 IonicContact CZ-OE2 2.75Å; R75-E137 IonicContact NE-OE2 3.79Å; R75-E137 PolarHBondContact NE-OE2 2.83Å; R75-E137 IonicContact NH2-OE2 3.51Å; L78-E137 HydrophobicContact CD2-CG 4.08Å; D133-E137 VanDerWaalsContact O-CB 3.29Å; D133-E137 WeakPolarHBondContact O-CB 3.5Å; D133-E137 PolarHBondContact O-N 3.31Å; V134-E137 PolarHBondContact O-N 3.46Å; E137-R140 PolarHBondContact O-N 2.77Å; E137-Y141 WeakPolarHBondContact O-CB 3.3Å; E137-Y141 PolarHBondContact O-N 3.48Å
138S90.1Very high86.1Confident0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-64.1-40.9178-58.80000112.8Y125 V134 R135 I136 Y141 L142Y125-S138 WeakPolarHBondContact CE1-OG 3.39Å; Y125-S138 PolarHBondContact OH-OG 3.35Å; V134-S138 VanDerWaalsContact O-CB 3.3Å; V134-S138 WeakPolarHBondContact O-CB 3.49Å; V134-S138 PolarHBondContact O-N 3.04Å; V134-S138 PolarHBondContact O-OG 3.09Å; R135-S138 WeakPolarHBondContact O-CB 3.32Å; R135-S138 PolarHBondContact O-N 3.12Å; I136-S138 VanDerWaalsContact C-N 3.26Å; I136-S138 PolarHBondContact O-N 3.19Å; S138-Y141 PolarHBondContact O-N 3.14Å; S138-L142 WeakPolarHBondContact O-CB 3.36Å; S138-L142 PolarHBondContact O-N 3.27Å
139I90.9Very high85.9Confident1 Ų144.4 Ų44.41%0.00522%0.216CC..Hα-helixtrans-72.7-36.4179.1-65.8166.8000111.5R135 I136 Y141 L142 G143 I160 I163 V188 A191R135-I139 HydrophobicContact CG-CD1 4.13Å; R135-I139 VanDerWaalsContact O-CG1 3.32Å; R135-I139 WeakPolarHBondContact O-CG1 3.29Å; R135-I139 PolarHBondContact O-N 3.09Å; I136-I139 PolarHBondContact O-N 3.37Å; I139-Y141 VanDerWaalsContact C-N 3.33Å; I139-L142 WeakPolarHBondContact O-CB 3.44Å; I139-L142 PolarHBondContact O-N 3.4Å; I139-G143 PolarHBondContact O-N 3.37Å; I139-I160 HydrophobicContact CG2-CG1 4.2Å; I139-I163 HydrophobicContact CD1-CD1 3.28Å; I139-V188 HydrophobicContact CB-CG2 4.31Å; I139-V188 HydrophobicContact CG2-CB 4.22Å; I139-V188 HydrophobicContact CG2-CG1 3.73Å; I139-V188 HydrophobicContact CG2-CG2 3.73Å; I139-A191 HydrophobicContact CG2-CB 3.71Å
140R87.3Confident86Confident101 Ų10138.1 Ų38.138%0.38119%0.186SC..Hα-helixtrans-59.9-46.5172.5-72.3171.178.1-125.90.4110.7I136 E137 L142 G143 N144 A187 D223I136-R140 HydrophobicContact CG2-CG 4.3Å; I136-R140 VanDerWaalsContact O-CG 3.3Å; I136-R140 WeakPolarHBondContact O-CG 3.49Å; I136-R140 PolarHBondContact O-N 3.43Å; E137-R140 PolarHBondContact O-N 2.77Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-L142 PolarHBondContact O-N 3.02Å; R140-G143 PolarHBondContact O-N 3.48Å; R140-N144 PolarHBondContact O-N 3.04Å; R140-A187 HydrophobicContact CG-CB 4.22Å; R140-D223 IonicContact CZ-OD1 3.93Å; R140-D223 IonicContact CZ-OD2 3.2Å; R140-D223 IonicContact NE-OD1 2.64Å; R140-D223 PolarHBondContact NE-OD1 2.94Å; R140-D223 IonicContact NE-OD2 3.28Å; R140-D223 PolarHBondContact NE-OD2 2.94Å; R140-D223 IonicContact NH2-OD1 3.08Å; R140-D223 PolarHBondContact NH2-OD1 3.49Å; R140-D223 IonicContact NH2-OD2 2.64Å
141Y86.4Confident86Confident41 Ų4139.4 Ų39.416%0.16120%0.198CC..Hα-helixtrans-58.5-45.7174.8175.2-91.1000111.9L78 D82 W122 E137 S138 I139 G143 N144 E145 G146 R149L78-Y141 HydrophobicContact CD1-CD1 3.8Å; L78-Y141 HydrophobicContact CD1-CG 4Å; D82-Y141 WeakPolarHBondContact CA-OH 3.26Å; D82-Y141 HydrophobicContact CB-CE1 4.39Å; D82-Y141 HydrophobicContact CB-CE2 3.63Å; D82-Y141 WeakPolarHBondContact CB-OH 3.4Å; D82-Y141 VanDerWaalsContact CG-OH 3.28Å; D82-Y141 WeakPolarHBondContact OD1-CE2 3.17Å; D82-Y141 PolarHBondContact OD1-OH 3.19Å; W122-Y141 AromaticContact CH2-CD1 3.85Å; W122-Y141 HydrophobicContact CH2-CD1 3.85Å; W122-Y141 HydrophobicContact CH2-CE1 4.31Å; W122-Y141 AromaticContact CZ2-CD1 3.98Å; W122-Y141 HydrophobicContact CZ2-CD1 3.98Å; W122-Y141 AromaticContact CZ2-CE1 3.97Å; W122-Y141 HydrophobicContact CZ2-CE1 3.97Å; E137-Y141 WeakPolarHBondContact O-CB 3.3Å; E137-Y141 PolarHBondContact O-N 3.48Å; S138-Y141 PolarHBondContact O-N 3.14Å; I139-Y141 VanDerWaalsContact C-N 3.33Å; Y141-G143 VanDerWaalsContact C-N 3.32Å; Y141-G143 PolarHBondContact O-N 3.22Å; Y141-N144 PolarHBondContact O-N 2.89Å; Y141-E145 PolarHBondContact O-N 3.34Å; Y141-G146 PolarHBondContact O-N 2.93Å; Y141-R149 VanDerWaalsContact OH-CZ 3.26Å; Y141-R149 PolarHBondContact OH-NH1 2.91Å; Y141-R149 VanDerWaalsContact OH-NH1 3.11Å; Y141-R149 PolarHBondContact OH-NH2 3.35Å
142L86.5Confident86Confident1 Ų142 Ų421%0.00521%0.206CC..Hα-helixtrans-58.1-44.2178179.368.3000111.7S138 I139 R140 G146 M147 L150 L156 I160S138-L142 WeakPolarHBondContact O-CB 3.36Å; S138-L142 PolarHBondContact O-N 3.27Å; I139-L142 WeakPolarHBondContact O-CB 3.44Å; I139-L142 PolarHBondContact O-N 3.4Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-L142 PolarHBondContact O-N 3.02Å; L142-G146 CarbonylContact O-C 3.6Å; L142-G146 WeakPolarHBondContact O-CA 3.46Å; L142-G146 PolarHBondContact O-N 2.88Å; L142-G146 VanDerWaalsContact O-N 3.12Å; L142-M147 HydrophobicContact CD1-CG 3.78Å; L142-M147 HydrophobicContact CD2-CE 3.62Å; L142-M147 HydrophobicContact CD2-CG 4.4Å; L142-M147 HydrophobicContact CG-CE 3.74Å; L142-M147 HydrophobicContact CG-CG 3.66Å; L142-M147 WeakPolarHBondContact O-CG 3.46Å; L142-M147 PolarHBondContact O-N 2.96Å; L142-L150 HydrophobicContact CD1-CD1 3.62Å; L142-L156 HydrophobicContact CD1-CD1 3.98Å; L142-L156 HydrophobicContact CD2-CD1 3.67Å; L142-L156 HydrophobicContact CG-CD1 4.43Å; L142-I160 HydrophobicContact CD2-CD1 3.93Å
143G83Confident86.1Confident2 Ų238.9 Ų38.92%0.02119%0.19CC..Hα-helixtrans-61.2-48.2178.900000113.6I139 R140 Y141 E145 H190 C194I139-G143 PolarHBondContact O-N 3.37Å; R140-G143 PolarHBondContact O-N 3.48Å; Y141-G143 VanDerWaalsContact C-N 3.32Å; Y141-G143 PolarHBondContact O-N 3.22Å; G143-E145 PolarHBondContact O-N 2.99Å; G143-H190 PolarHBondContact O-CD2 3.2Å; G143-H190 VanDerWaalsContact O-CD2 3.31Å; G143-H190 PolarHBondContact O-NE2 2.88Å; G143-C194 PolarHBondContact O-SG 2.81Å; G143-C194 VanDerWaalsContact O-SG 3.4Å
144N81.7Confident86.2Confident102 Ų10240.6 Ų40.655%0.54519%0.189SC..Hα-helixtrans-65.5-43.9-171.2-68.1-17.9000112.9R140 Y141 H190R140-N144 PolarHBondContact O-N 3.04Å; Y141-N144 PolarHBondContact O-N 2.89Å; N144-H190 PolarHBondContact OD1-CD2 3.48Å
145E77.8Confident86.2Confident105 Ų10544.3 Ų44.349%0.49121%0.208SC..THydrogen-bonded Turntrans-144.9-28.8-178.2-66.4-169.2-178.200114.4Y141 G143 M147 N148 R149Y141-E145 PolarHBondContact O-N 3.34Å; G143-E145 PolarHBondContact O-N 2.99Å; E145-M147 VanDerWaalsContact C-N 3.3Å; E145-M147 PolarHBondContact O-N 3.11Å; E145-N148 PolarHBondContact O-N 2.5Å; E145-R149 IonicContact OE2-NH2 2.78Å; E145-R149 PolarHBondContact OE2-NH2 3.2Å
146G78.6Confident86.2Confident0 Ų041.7 Ų41.70%020%0.198CC..G310 helixtrans-58.6-38.3-171.400000113.4Y141 L142 N148 R149Y141-G146 PolarHBondContact O-N 2.93Å; L142-G146 CarbonylContact O-C 3.6Å; L142-G146 WeakPolarHBondContact O-CA 3.46Å; L142-G146 PolarHBondContact O-N 2.88Å; L142-G146 VanDerWaalsContact O-N 3.12Å; G146-N148 VanDerWaalsContact C-N 3.28Å; G146-N148 PolarHBondContact O-N 3.22Å; G146-R149 WeakPolarHBondContact O-CB 3.1Å; G146-R149 PolarHBondContact O-N 3.15Å; G146-R149 VanDerWaalsContact O-N 3.08Å
147M81.4Confident86.3Confident1 Ų141 Ų411%0.00520%0.195CC..G310 helixtrans-62.5-30.7-178-72.4-164.5-17700113.7L142 E145 R149 L150 I153 I160 A191 C194 L195L142-M147 HydrophobicContact CD1-CG 3.78Å; L142-M147 HydrophobicContact CD2-CE 3.62Å; L142-M147 HydrophobicContact CD2-CG 4.4Å; L142-M147 HydrophobicContact CG-CE 3.74Å; L142-M147 HydrophobicContact CG-CG 3.66Å; L142-M147 WeakPolarHBondContact O-CG 3.46Å; L142-M147 PolarHBondContact O-N 2.96Å; E145-M147 VanDerWaalsContact C-N 3.3Å; E145-M147 PolarHBondContact O-N 3.11Å; M147-R149 PolarHBondContact O-N 3.25Å; M147-R149 VanDerWaalsContact O-N 3.16Å; M147-L150 PolarHBondContact O-N 3.05Å; M147-I153 HydrophobicContact CB-CD1 4.23Å; M147-I153 HydrophobicContact CB-CG1 4.39Å; M147-I153 HydrophobicContact CB-CG2 4.21Å; M147-I153 HydrophobicContact CE-CG2 4.38Å; M147-I153 HydrophobicContact CG-CG2 3.95Å; M147-I153 WeakPolarHBondContact O-CD1 3.3Å; M147-I153 WeakPolarHBondContact O-CG1 3.49Å; M147-I153 HydrophobicContact SD-CG2 3.5Å; M147-I153 WeakPolarHBondContact SD-CG2 3.3Å; M147-I160 HydrophobicContact CE-CD1 3.39Å; M147-A191 HydrophobicContact CE-CB 3.66Å; M147-A191 WeakPolarHBondContact CE-O 3.31Å; M147-C194 HydrophobicContact CB-CB 4.29Å; M147-C194 HydrophobicContact CG-CB 4.29Å; M147-C194 HydrophobicContact SD-CB 3.24Å; M147-C194 WeakPolarHBondContact SD-CB 3.41Å; M147-L195 HydrophobicContact CE-CD2 4.46Å; M147-L195 HydrophobicContact CE-CG 4.09Å; M147-L195 HydrophobicContact SD-CG 4.42Å
148N83.4Confident86.4Confident74 Ų7443.9 Ų43.940%0.39621%0.213SC..G310 helixtrans-64.1-22.5178-68.2-28.6000113E145 G146 K198E145-N148 PolarHBondContact O-N 2.5Å; G146-N148 VanDerWaalsContact C-N 3.28Å; G146-N148 PolarHBondContact O-N 3.22Å; N148-K198 WeakPolarHBondContact OD1-CD 3.36Å; N148-K198 WeakPolarHBondContact OD1-CE 3.35Å; N148-K198 PolarHBondContact OD1-NZ 3.16Å
149R84.4Confident86.5Confident2 Ų246 Ų461%0.00822%0.223CC..G310 helixtrans-87.7-22.8-174-48.3-178-170.7-177.75.2111.2D82 L84 L85 P87 R115 F118 Y141 E145 G146 M147D82-R149 PolarHBondContact O-NH1 3.21Å; D82-R149 IonicContact OD1-NH1 3.53Å; D82-R149 IonicContact OD1-NH2 3.39Å; D82-R149 PolarHBondContact OD1-NH2 2.86Å; L84-R149 PolarHBondContact O-NH1 3.26Å; L85-R149 HydrophobicContact CB-CB 4.48Å; L85-R149 WeakPolarHBondContact O-CD 3.45Å; L85-R149 WeakPolarHBondContact O-CG 3.41Å; P87-R149 HydrophobicContact CG-CG 4.31Å; R115-R149 WeakPolarHBondContact CG-O 3.48Å; R115-R149 PolarHBondContact NE-O 3.48Å; F118-R149 HydrophobicContact CD1-CB 4.25Å; F118-R149 HydrophobicContact CE1-CB 3.84Å; Y141-R149 VanDerWaalsContact OH-CZ 3.26Å; Y141-R149 PolarHBondContact OH-NH1 2.91Å; Y141-R149 VanDerWaalsContact OH-NH1 3.11Å; Y141-R149 PolarHBondContact OH-NH2 3.35Å; E145-R149 IonicContact OE2-NH2 2.78Å; E145-R149 PolarHBondContact OE2-NH2 3.2Å; G146-R149 WeakPolarHBondContact O-CB 3.1Å; G146-R149 PolarHBondContact O-N 3.15Å; G146-R149 VanDerWaalsContact O-N 3.08Å; M147-R149 PolarHBondContact O-N 3.25Å; M147-R149 VanDerWaalsContact O-N 3.16Å
150L85.7Confident86.6Confident0 Ų046 Ų460%022%0.223CC..  trans-79.1153.4-177.1-56.9174.8000112.3R115 F118 T119 W122 L142 M147 I153 L156R115-L150 PolarHBondContact NH2-O 2.98Å; F118-L150 HydrophobicContact CD1-CD2 3.4Å; F118-L150 VanDerWaalsContact CD1-CD2 3.4Å; F118-L150 HydrophobicContact CD1-CG 4.43Å; F118-L150 HydrophobicContact CE1-CD2 3.82Å; F118-L150 HydrophobicContact CG-CD2 4.23Å; T119-L150 HydrophobicContact CG2-CD2 4.48Å; W122-L150 HydrophobicContact CG-CD2 4.18Å; L142-L150 HydrophobicContact CD1-CD1 3.62Å; M147-L150 PolarHBondContact O-N 3.05Å; L150-I153 HydrophobicContact CB-CG1 3.94Å; L150-L156 HydrophobicContact CD1-CD1 3.23Å
151A85.6Confident86.9Confident36 Ų3642.3 Ų42.330%0.29821%0.211SC..SBendtrans-87.7-44173.300000111.4R115 H116 T119R115-A151 HydrophobicContact CB-CB 3.94Å; H116-A151 HydrophobicContact CB-CB 4.44Å; H116-A151 WeakPolarHBondContact ND1-CB 3.4Å; T119-A151 PolarHBondContact OG1-N 3.45Å; T119-A151 VanDerWaalsContact OG1-N 3.09Å
152E88.2Confident87.1Confident89 Ų8943.6 Ų43.642%0.41622%0.224SC..  trans-121.170.8-172.3-68.9169.6-13700110.7H116 T119 R154 L155H116-E152 IonicContact CE1-OE1 3.47Å; H116-E152 PolarHBondContact CE1-OE1 2.7Å; H116-E152 VanDerWaalsContact CE1-OE1 3.3Å; H116-E152 IonicContact ND1-OE1 3.4Å; H116-E152 PolarHBondContact ND1-OE1 2.78Å; T119-E152 HydrophobicContact CG2-CB 4.16Å; T119-E152 WeakPolarHBondContact CG2-O 3.29Å; E152-R154 PolarHBondContact O-N 3.1Å; E152-L155 HydrophobicContact CB-CD1 3.97Å; E152-L155 HydrophobicContact CB-CG 4.13Å; E152-L155 PolarHBondContact O-N 3.13Å; E152-L155 VanDerWaalsContact OE2-CD1 3.31Å; E152-L155 WeakPolarHBondContact OE2-CD1 3.45Å
153I88.7Confident87.4Confident13 Ų1344.4 Ų44.47%0.06723%0.228CC..G310 helixtrans-58.7-33.7-176.2-58.6163.4000111.5M147 L150 L155 L156 L195 K198M147-I153 HydrophobicContact CB-CD1 4.23Å; M147-I153 HydrophobicContact CB-CG1 4.39Å; M147-I153 HydrophobicContact CB-CG2 4.21Å; M147-I153 HydrophobicContact CE-CG2 4.38Å; M147-I153 HydrophobicContact CG-CG2 3.95Å; M147-I153 WeakPolarHBondContact O-CD1 3.3Å; M147-I153 WeakPolarHBondContact O-CG1 3.49Å; M147-I153 HydrophobicContact SD-CG2 3.5Å; M147-I153 WeakPolarHBondContact SD-CG2 3.3Å; L150-I153 HydrophobicContact CB-CG1 3.94Å; I153-L155 PolarHBondContact O-N 3.38Å; I153-L155 VanDerWaalsContact O-N 3.16Å; I153-L156 WeakPolarHBondContact O-CB 3.42Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L195 HydrophobicContact CG2-CD2 3.67Å; I153-L195 HydrophobicContact CG2-CG 4.47Å; I153-L195 VanDerWaalsContact O-CD2 3.25Å; I153-L195 WeakPolarHBondContact O-CD2 3.36Å; I153-K198 HydrophobicContact CD1-CB 3.72Å; I153-K198 HydrophobicContact CD1-CD 4.47Å
154R90.9Very high87.9Confident137 Ų13744.3 Ų44.352%0.51723%0.227SC..G310 helixtrans-56.5-31.7-178.8-176.7-178.3-84.7-150.6-1.7113.5E152 L156 A157 G199 D200 F201E152-R154 PolarHBondContact O-N 3.1Å; R154-L156 PolarHBondContact O-N 3.18Å; R154-L156 VanDerWaalsContact O-N 3.16Å; R154-A157 WeakPolarHBondContact O-CB 3.33Å; R154-A157 PolarHBondContact O-N 3.03Å; R154-G199 PolarHBondContact NE-O 3.2Å; R154-D200 PolarHBondContact NH2-O 3.26Å; R154-F201 HydrophobicContact CG-CD2 4.41Å
155L90.1Very high88.4Confident79 Ų7939.7 Ų39.741%0.41420%0.202SC..G310 helixtrans-65.3-17-179.9-63.9-178.7000113.3I123 E152 I153 A157I123-L155 HydrophobicContact CD1-CB 3.67Å; I123-L155 HydrophobicContact CD1-CD1 3.7Å; I123-L155 HydrophobicContact CD1-CG 4.36Å; I123-L155 HydrophobicContact CG1-CB 4.5Å; E152-L155 HydrophobicContact CB-CD1 3.97Å; E152-L155 HydrophobicContact CB-CG 4.13Å; E152-L155 PolarHBondContact O-N 3.13Å; E152-L155 VanDerWaalsContact OE2-CD1 3.31Å; E152-L155 WeakPolarHBondContact OE2-CD1 3.45Å; I153-L155 PolarHBondContact O-N 3.38Å; I153-L155 VanDerWaalsContact O-N 3.16Å; L155-A157 VanDerWaalsContact C-N 3.32Å
156L91.5Very high89Confident0 Ų035.5 Ų35.50%018%0.184CC..G310 helixtrans-84.9-7.4177-63.7168.3000112.8W122 I123 L126 L142 L150 I153 R154 D158 H159 I160W122-L156 HydrophobicContact CB-CD2 4.43Å; I123-L156 HydrophobicContact CG1-CD2 4Å; L126-L156 HydrophobicContact CD1-CD2 3.64Å; L142-L156 HydrophobicContact CD1-CD1 3.98Å; L142-L156 HydrophobicContact CD2-CD1 3.67Å; L142-L156 HydrophobicContact CG-CD1 4.43Å; L150-L156 HydrophobicContact CD1-CD1 3.23Å; I153-L156 WeakPolarHBondContact O-CB 3.42Å; I153-L156 PolarHBondContact O-N 3.46Å; R154-L156 PolarHBondContact O-N 3.18Å; R154-L156 VanDerWaalsContact O-N 3.16Å; L156-D158 PolarHBondContact O-N 3.34Å; L156-H159 PolarHBondContact O-N 2.93Å; L156-H159 VanDerWaalsContact O-N 3.08Å; L156-I160 HydrophobicContact CB-CD1 3.9Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.26Å; L156-I160 PolarHBondContact O-N 3.35Å; L156-I160 VanDerWaalsContact O-N 3.09Å
157A91.4Very high89.4Confident4 Ų436.4 Ų36.43%0.03319%0.189CC..Hα-helixtrans-56.9-38.1178.500000112R154 L155 H159 I160 I161 L195 F201R154-A157 WeakPolarHBondContact O-CB 3.33Å; R154-A157 PolarHBondContact O-N 3.03Å; L155-A157 VanDerWaalsContact C-N 3.32Å; A157-H159 PolarHBondContact O-N 3.41Å; A157-I160 PolarHBondContact O-N 3.4Å; A157-I161 HydrophobicContact CB-CG1 4.33Å; A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 VanDerWaalsContact O-CG1 3.31Å; A157-I161 WeakPolarHBondContact O-CG1 3.27Å; A157-I161 PolarHBondContact O-N 2.95Å; A157-L195 HydrophobicContact CB-CD1 4.33Å; A157-L195 HydrophobicContact CB-CD2 4.48Å; A157-F201 HydrophobicContact CB-CD2 3.97Å; A157-F201 HydrophobicContact CB-CE2 3.59Å; A157-F201 HydrophobicContact CB-CZ 3.93Å
158D91.6Very high89.6Confident134 Ų13439.3 Ų39.372%0.71721%0.208SC*.Hα-helixtrans-64-22.6-179.7-64-15.6000113L156 P162L156-D158 PolarHBondContact O-N 3.34Å; D158-P162 VanDerWaalsContact O-CD 3.25Å; D158-P162 WeakPolarHBondContact O-CD 3.31Å; D158-P162 VanDerWaalsContact O-CG 3.24Å; D158-P162 WeakPolarHBondContact O-CG 3.37Å
159H91Very high89.5Confident45 Ų4541.9 Ų41.921%0.20822%0.218CC..Hα-helixtrans-94.9-30.2175.7-62.6-65.4000112.9L126 N127 L156 A157 I163L126-H159 HydrophobicContact CB-CB 4.5Å; L126-H159 HydrophobicContact CD1-CB 4Å; N127-H159 PolarHBondContact OD1-CE1 2.83Å; N127-H159 VanDerWaalsContact OD1-CE1 3.27Å; L156-H159 PolarHBondContact O-N 2.93Å; L156-H159 VanDerWaalsContact O-N 3.08Å; A157-H159 PolarHBondContact O-N 3.41Å; H159-I163 WeakPolarHBondContact O-CD1 3.48Å
160I93.1Very high89.4Confident0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-86-45.3-173.3-68.3169.5000111.1I139 L142 M147 L156 A157 I163 F164 V188 A191 V192 L195I139-I160 HydrophobicContact CG2-CG1 4.2Å; L142-I160 HydrophobicContact CD2-CD1 3.93Å; M147-I160 HydrophobicContact CE-CD1 3.39Å; L156-I160 HydrophobicContact CB-CD1 3.9Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.26Å; L156-I160 PolarHBondContact O-N 3.35Å; L156-I160 VanDerWaalsContact O-N 3.09Å; A157-I160 PolarHBondContact O-N 3.4Å; I160-I163 PolarHBondContact O-N 3.44Å; I160-F164 PolarHBondContact O-N 3.09Å; I160-V188 HydrophobicContact CB-CG1 4.44Å; I160-V188 HydrophobicContact CG2-CG1 3.44Å; I160-V188 VanDerWaalsContact CG2-CG1 3.44Å; I160-A191 HydrophobicContact CD1-CB 4.28Å; I160-A191 HydrophobicContact CG2-CB 4.32Å; I160-V192 HydrophobicContact CG2-CG2 3.64Å; I160-L195 HydrophobicContact CB-CD1 4.02Å; I160-L195 HydrophobicContact CD1-CD1 3.77Å; I160-L195 HydrophobicContact CD1-CD2 4.43Å; I160-L195 HydrophobicContact CD1-CG 4.21Å; I160-L195 HydrophobicContact CG2-CD1 3.77Å
161I93.6Very high89.3Confident24 Ų2453.3 Ų53.312%0.12327%0.272CS..Hα-helixtrans-65.8-40.2-173.2-61.7-60.7000113A157 I163 F164 D165 V192 F201 Y203A157-I161 HydrophobicContact CB-CG1 4.33Å; A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 VanDerWaalsContact O-CG1 3.31Å; A157-I161 WeakPolarHBondContact O-CG1 3.27Å; A157-I161 PolarHBondContact O-N 2.95Å; I161-I163 PolarHBondContact O-N 2.94Å; I161-F164 PolarHBondContact O-N 3.27Å; I161-D165 PolarHBondContact O-N 3.15Å; I161-V192 HydrophobicContact CD1-CG1 4.44Å; I161-V192 HydrophobicContact CD1-CG2 4.23Å; I161-F201 HydrophobicContact CD1-CD1 4.49Å; I161-F201 HydrophobicContact CD1-CE1 3.53Å; I161-F201 HydrophobicContact CD1-CZ 4.03Å; I161-F201 HydrophobicContact CG1-CE1 3.82Å; I161-F201 HydrophobicContact CG1-CZ 3.78Å; I161-Y203 HydrophobicContact CG2-CD2 4.33Å; I161-Y203 HydrophobicContact CG2-CE2 3.91Å
162P91.8Very high89.1Confident68 Ų6854.4 Ų54.444%0.44227%0.272SS..Hα-helixtrans-61.5-26.1175.4-26.336.9000114.1D158 P166D158-P162 VanDerWaalsContact O-CD 3.25Å; D158-P162 WeakPolarHBondContact O-CD 3.31Å; D158-P162 VanDerWaalsContact O-CG 3.24Å; D158-P162 WeakPolarHBondContact O-CG 3.37Å; P162-P166 WeakPolarHBondContact O-CA 3.45Å
163I92.1Very high88.9Confident18 Ų1852.4 Ų52.49%0.09227%0.268CS..Hα-helixtrans-83.3-39176.1-59.9166.2000110.5R135 I139 H159 I160 I161 W184 S185 V188R135-I163 HydrophobicContact CG-CD1 4.09Å; I139-I163 HydrophobicContact CD1-CD1 3.28Å; H159-I163 WeakPolarHBondContact O-CD1 3.48Å; I160-I163 PolarHBondContact O-N 3.44Å; I161-I163 PolarHBondContact O-N 2.94Å; I163-W184 HydrophobicContact CG2-CB 4.19Å; I163-S185 PolarHBondContact O-OG 2.95Å; I163-V188 HydrophobicContact CB-CG2 4.44Å; I163-V188 HydrophobicContact CG2-CB 4.43Å; I163-V188 HydrophobicContact CG2-CG2 3.73Å
164F93.8Very high88.5Confident0 Ų060.1 Ų60.10%030%0.304CS..Hα-helixtrans-65.8-45.5176.1173.2-107.4000112.1I160 I161 S185 V188 V192 Y203 L206 R209 L210 L213I160-F164 PolarHBondContact O-N 3.09Å; I161-F164 PolarHBondContact O-N 3.27Å; F164-S185 VanDerWaalsContact O-CB 3.24Å; F164-S185 WeakPolarHBondContact O-CB 3.28Å; F164-S185 PolarHBondContact O-OG 3.26Å; F164-S185 VanDerWaalsContact O-OG 3.05Å; F164-V188 HydrophobicContact CB-CG1 4.42Å; F164-V192 HydrophobicContact CB-CG2 3.86Å; F164-V192 HydrophobicContact CD1-CG2 4.28Å; F164-V192 HydrophobicContact CD2-CG2 3.98Å; F164-V192 HydrophobicContact CG-CG2 3.76Å; F164-Y203 HydrophobicContact CD1-CE1 4.46Å; F164-Y203 HydrophobicContact CE1-CD1 4.25Å; F164-Y203 HydrophobicContact CE1-CE1 4.13Å; F164-L206 HydrophobicContact CE1-CD1 4.09Å; F164-L206 HydrophobicContact CZ-CD1 3.91Å; F164-R209 HydrophobicContact CD1-CG 4.13Å; F164-R209 HydrophobicContact CE1-CB 3.8Å; F164-R209 HydrophobicContact CE1-CG 3.54Å; F164-R209 HydrophobicContact CE2-CG 4.07Å; F164-R209 HydrophobicContact CZ-CB 3.85Å; F164-R209 HydrophobicContact CZ-CG 3.5Å; F164-R209 PolarHBondContact O-NE 3.02Å; F164-R209 PolarHBondContact O-NH2 3.05Å; F164-L210 HydrophobicContact CE2-CD2 4.22Å; F164-L210 HydrophobicContact CZ-CD2 4.25Å; F164-L210 HydrophobicContact CZ-CG 4.3Å; F164-L213 HydrophobicContact CD2-CD1 4.43Å; F164-L213 HydrophobicContact CE2-CD1 3.84Å
165D92.3Very high88Confident4 Ų458.8 Ų58.82%0.02131%0.311CS..  trans-135.390178.1-169.936.9000111.4I161 D167 P168 Y203 R205 R209I161-D165 PolarHBondContact O-N 3.15Å; D165-D167 VanDerWaalsContact C-N 3.31Å; D165-D167 PolarHBondContact O-N 3.27Å; D165-P168 WeakPolarHBondContact OD2-CA 3.49Å; D165-Y203 PolarHBondContact OD2-OH 2.78Å; D165-R205 IonicContact OD2-CZ 3.78Å; D165-R205 IonicContact OD2-NH1 2.91Å; D165-R205 PolarHBondContact OD2-NH1 3.28Å; D165-R205 IonicContact OD2-NH2 3.48Å; D165-R209 HydrophobicContact CB-CG 4.06Å; D165-R209 VanDerWaalsContact OD1-CD 3.29Å; D165-R209 WeakPolarHBondContact OD1-CD 3.32Å; D165-R209 IonicContact OD1-CZ 2.6Å; D165-R209 IonicContact OD1-NE 3.72Å; D165-R209 IonicContact OD1-NH1 2.66Å; D165-R209 PolarHBondContact OD1-NH1 2.81Å
166P89.5Confident87.7Confident17 Ų1758.9 Ų58.911%0.1131%0.309CS..SBendtrans-72.1-23.6-177.328.5-35.1000113.3P162 P168 L172 L177 F180P162-P166 WeakPolarHBondContact O-CA 3.45Å; P166-P168 VanDerWaalsContact C-CD 3.49Å; P166-P168 WeakPolarHBondContact O-CD 3.34Å; P166-L172 WeakPolarHBondContact O-CD1 3.39Å; P166-L177 HydrophobicContact CG-CD1 4.05Å; P166-F180 HydrophobicContact CB-CB 4.01Å; P166-F180 HydrophobicContact CB-CD1 4.17Å; P166-F180 HydrophobicContact CB-CD2 3.71Å; P166-F180 HydrophobicContact CB-CE2 4.19Å; P166-F180 HydrophobicContact CB-CG 3.7Å; P166-F180 HydrophobicContact CG-CB 3.8Å; P166-F180 HydrophobicContact CG-CD2 4.35Å; P166-F180 HydrophobicContact CG-CG 4.09Å
167D88Confident87.2Confident19 Ų1962.1 Ų62.110%0.10233%0.327CS..  trans-123.277.7-178.6-1665.6000112.2D165 E169 N170 K171 L172 L177 R205D165-D167 VanDerWaalsContact C-N 3.31Å; D165-D167 PolarHBondContact O-N 3.27Å; D167-E169 VanDerWaalsContact C-N 3.29Å; D167-E169 PolarHBondContact O-N 3.23Å; D167-N170 VanDerWaalsContact CG-CA 3.43Å; D167-N170 VanDerWaalsContact OD1-CA 3.24Å; D167-N170 WeakPolarHBondContact OD1-CA 3.38Å; D167-N170 PolarHBondContact OD1-N 3.14Å; D167-N170 WeakPolarHBondContact OD2-CA 3.34Å; D167-K171 PolarHBondContact OD1-N 3.44Å; D167-K171 PolarHBondContact OD2-N 3.24Å; D167-L172 HydrophobicContact CB-CB 4.2Å; D167-L172 HydrophobicContact CB-CD1 3.91Å; D167-L172 HydrophobicContact CB-CG 4.07Å; D167-L172 PolarHBondContact OD1-N 2.75Å; D167-L172 PolarHBondContact OD2-N 3.48Å; D167-L177 HydrophobicContact CB-CD1 4.46Å; D167-R205 PolarHBondContact O-NH2 2.94Å
168P84.7Confident86.8Confident62 Ų6265.7 Ų65.740%0.40336%0.356SS..THydrogen-bonded Turntrans-73.5-23.1-178.227.5-33.9000114D165 P166 R205D165-P168 WeakPolarHBondContact OD2-CA 3.49Å; P166-P168 VanDerWaalsContact C-CD 3.49Å; P166-P168 WeakPolarHBondContact O-CD 3.34Å; P168-R205 PolarHBondContact O-NE 3.45Å; P168-R205 PolarHBondContact O-NH1 2.94Å; P168-R205 PolarHBondContact O-NH2 3.29Å
169E82.6Confident86.4Confident129 Ų12966.1 Ų66.160%0.60335%0.352SS*.THydrogen-bonded Turntrans-105.54.1-175.5-60.2-175.213400112.9D167 K171D167-E169 VanDerWaalsContact C-N 3.29Å; D167-E169 PolarHBondContact O-N 3.23Å; E169-K171 HydrophobicContact CB-CB 4.37Å; E169-K171 HydrophobicContact CB-CD 3.76Å; E169-K171 HydrophobicContact CB-CG 3.72Å; E169-K171 VanDerWaalsContact CD-NZ 3.26Å; E169-K171 PolarHBondContact O-N 3.32Å; E169-K171 IonicContact OE1-NZ 3.55Å; E169-K171 PolarHBondContact OE1-NZ 3.31Å; E169-K171 VanDerWaalsContact OE2-CD 3.23Å; E169-K171 WeakPolarHBondContact OE2-CD 3.44Å; E169-K171 WeakPolarHBondContact OE2-CE 3.38Å; E169-K171 IonicContact OE2-NZ 2.88Å; E169-K171 PolarHBondContact OE2-NZ 2.95Å
170N81.3Confident86Confident93 Ų9367.8 Ų67.850%0.49736%0.358SS..SBendtrans52.436.2-171.1-56.7-34.1000112.1D167 R212D167-N170 VanDerWaalsContact CG-CA 3.43Å; D167-N170 VanDerWaalsContact OD1-CA 3.24Å; D167-N170 WeakPolarHBondContact OD1-CA 3.38Å; D167-N170 PolarHBondContact OD1-N 3.14Å; D167-N170 WeakPolarHBondContact OD2-CA 3.34Å; N170-R212 PolarHBondContact OD1-NH1 3.32Å
171K82.9Confident85.7Confident149 Ų14970 Ų7065%0.64837%0.372SS*.  trans-101.9-16.3-175.4-72.1-177.9-172.8167.10112.9D167 E169D167-K171 PolarHBondContact OD1-N 3.44Å; D167-K171 PolarHBondContact OD2-N 3.24Å; E169-K171 HydrophobicContact CB-CB 4.37Å; E169-K171 HydrophobicContact CB-CD 3.76Å; E169-K171 HydrophobicContact CB-CG 3.72Å; E169-K171 VanDerWaalsContact CD-NZ 3.26Å; E169-K171 PolarHBondContact O-N 3.32Å; E169-K171 IonicContact OE1-NZ 3.55Å; E169-K171 PolarHBondContact OE1-NZ 3.31Å; E169-K171 VanDerWaalsContact OE2-CD 3.23Å; E169-K171 WeakPolarHBondContact OE2-CD 3.44Å; E169-K171 WeakPolarHBondContact OE2-CE 3.38Å; E169-K171 IonicContact OE2-NZ 2.88Å; E169-K171 PolarHBondContact OE2-NZ 2.95Å
172L83Confident85.4Confident59 Ų5970.9 Ų70.931%0.30938%0.379SS..SBendtrans-73.2141.1-178.1-66.8-175.5000110.4P166 D167 E176P166-L172 WeakPolarHBondContact O-CD1 3.39Å; D167-L172 HydrophobicContact CB-CB 4.2Å; D167-L172 HydrophobicContact CB-CD1 3.91Å; D167-L172 HydrophobicContact CB-CG 4.07Å; D167-L172 PolarHBondContact OD1-N 2.75Å; D167-L172 PolarHBondContact OD2-N 3.48Å; L172-E176 HydrophobicContact CB-CB 4.25Å; L172-E176 HydrophobicContact CD2-CB 4.35Å
173S83.7Confident85.2Confident47 Ų4769.4 Ų69.433%0.32937%0.371SS..  trans-66.5153.7169.962.20000110.6T175 E176 L177S173-T175 PolarHBondContact O-N 3.23Å; S173-T175 VanDerWaalsContact O-N 3.11Å; S173-T175 PolarHBondContact OG-OG1 3.4Å; S173-E176 PolarHBondContact N-OE2 3.43Å; S173-E176 PolarHBondContact O-N 3.28Å; S173-E176 VanDerWaalsContact OG-CD 3.24Å; S173-E176 VanDerWaalsContact OG-CG 3.26Å; S173-E176 WeakPolarHBondContact OG-CG 3.39Å; S173-E176 PolarHBondContact OG-N 3.49Å; S173-E176 PolarHBondContact OG-OE2 3.5Å; S173-L177 PolarHBondContact O-N 3.49Å
174Q79Confident85.2Confident175 Ų17571 Ų7182%0.81838%0.375SS*.Hα-helixtrans-56-31.7177.4-16717218.600112.4A178Q174-A178 WeakPolarHBondContact O-CB 3.43Å; Q174-A178 PolarHBondContact O-N 3.41Å
175T81.8Confident85.1Confident109 Ų10971 Ų7167%0.66938%0.376SS*.Hα-helixtrans-69-33.4174.639.50000114.1S173S173-T175 PolarHBondContact O-N 3.23Å; S173-T175 VanDerWaalsContact O-N 3.11Å; S173-T175 PolarHBondContact OG-OG1 3.4Å
176E83.5Confident85.2Confident80 Ų8071 Ų7137%0.37438%0.376SS..Hα-helixtrans-77.9-39.1175.2-72163.9142.400110.9L172 S173 A178 K179L172-E176 HydrophobicContact CB-CB 4.25Å; L172-E176 HydrophobicContact CD2-CB 4.35Å; S173-E176 PolarHBondContact N-OE2 3.43Å; S173-E176 PolarHBondContact O-N 3.28Å; S173-E176 VanDerWaalsContact OG-CD 3.24Å; S173-E176 VanDerWaalsContact OG-CG 3.26Å; S173-E176 WeakPolarHBondContact OG-CG 3.39Å; S173-E176 PolarHBondContact OG-N 3.49Å; S173-E176 PolarHBondContact OG-OE2 3.5Å; E176-A178 VanDerWaalsContact C-N 3.25Å; E176-A178 PolarHBondContact O-N 2.85Å; E176-K179 VanDerWaalsContact O-CB 3.27Å; E176-K179 WeakPolarHBondContact O-CB 3.46Å; E176-K179 PolarHBondContact O-N 3.12Å; E176-K179 VanDerWaalsContact O-N 3.08Å
177L80.9Confident85.2Confident69 Ų6970.8 Ų70.836%0.36138%0.375SS..Hα-helixtrans-61.9-35.8175-173.362.5000111.6P166 D167 S173 K179 F180P166-L177 HydrophobicContact CG-CD1 4.05Å; D167-L177 HydrophobicContact CB-CD1 4.46Å; S173-L177 PolarHBondContact O-N 3.49Å; L177-K179 PolarHBondContact O-N 3.22Å; L177-K179 VanDerWaalsContact O-N 3.15Å; L177-F180 CarbonylContact O-C 3.57Å; L177-F180 PolarHBondContact O-N 3.25Å
178A82.2Confident85.4Confident79 Ų7969.9 Ų69.965%0.65337%0.37SS*.THydrogen-bonded Turntrans-60.9-20.3175.200000113.9Q174 E176 F180Q174-A178 WeakPolarHBondContact O-CB 3.43Å; Q174-A178 PolarHBondContact O-N 3.41Å; E176-A178 VanDerWaalsContact C-N 3.25Å; E176-A178 PolarHBondContact O-N 2.85Å; A178-F180 PolarHBondContact O-N 3.25Å
179K82.9Confident85.9Confident143 Ų14367 Ų6762%0.62235%0.351SS*.THydrogen-bonded Turntrans-71.2-18.9172.9-61.5176.6179.8172.90112.8E176 L177 P181 W184E176-K179 VanDerWaalsContact O-CB 3.27Å; E176-K179 WeakPolarHBondContact O-CB 3.46Å; E176-K179 PolarHBondContact O-N 3.12Å; E176-K179 VanDerWaalsContact O-N 3.08Å; L177-K179 PolarHBondContact O-N 3.22Å; L177-K179 VanDerWaalsContact O-N 3.15Å; K179-P181 VanDerWaalsContact O-CD 3.26Å; K179-P181 WeakPolarHBondContact O-CD 3.44Å; K179-W184 WeakPolarHBondContact O-CZ3 3.37Å
180F84Confident86.4Confident79 Ų7963 Ų6335%0.34633%0.333SS..SBendtrans-114.689.9-179.2-62.6-80.3000110.4P166 L177 A178 T182 W184P166-F180 HydrophobicContact CB-CB 4.01Å; P166-F180 HydrophobicContact CB-CD1 4.17Å; P166-F180 HydrophobicContact CB-CD2 3.71Å; P166-F180 HydrophobicContact CB-CE2 4.19Å; P166-F180 HydrophobicContact CB-CG 3.7Å; P166-F180 HydrophobicContact CG-CB 3.8Å; P166-F180 HydrophobicContact CG-CD2 4.35Å; P166-F180 HydrophobicContact CG-CG 4.09Å; L177-F180 CarbonylContact O-C 3.57Å; L177-F180 PolarHBondContact O-N 3.25Å; A178-F180 PolarHBondContact O-N 3.25Å; F180-T182 PolarHBondContact O-N 3.08Å; F180-W184 HydrophobicContact CD1-CE3 4.39Å; F180-W184 HydrophobicContact CD1-CZ3 4.34Å
181P86.1Confident86.9Confident46 Ų4658.7 Ų58.730%0.29931%0.31SS..  trans-51.1138.2172.5-27.833.2000112.8K179 S183 W184K179-P181 VanDerWaalsContact O-CD 3.26Å; K179-P181 WeakPolarHBondContact O-CD 3.44Å; P181-S183 VanDerWaalsContact CB-OG 3.32Å; P181-S183 WeakPolarHBondContact CB-OG 3.47Å; P181-S183 PolarHBondContact O-N 3.22Å; P181-W184 HydrophobicContact CB-CD2 4.27Å; P181-W184 HydrophobicContact CB-CG 4.15Å; P181-W184 HydrophobicContact CG-CD2 3.98Å; P181-W184 HydrophobicContact CG-CE3 4.47Å; P181-W184 HydrophobicContact CG-CG 4.36Å; P181-W184 HydrophobicContact CG-CZ2 4.08Å; P181-W184 WeakPolarHBondContact O-CB 3.36Å; P181-W184 PolarHBondContact O-N 3.02Å; P181-W184 VanDerWaalsContact O-N 3.08Å
182T86.9Confident87.4Confident43 Ų4351.6 Ų51.626%0.26428%0.279SS..Hα-helixtrans-61.6-24.7172.653.10000112.1F180 W184 S185 R186 T217F180-T182 PolarHBondContact O-N 3.08Å; T182-W184 VanDerWaalsContact C-N 3.32Å; T182-W184 PolarHBondContact O-N 2.9Å; T182-S185 PolarHBondContact O-N 2.96Å; T182-R186 WeakPolarHBondContact O-CG 3.47Å; T182-R186 PolarHBondContact O-N 3.39Å; T182-R186 PolarHBondContact OG1-NH1 2.89Å; T182-T217 PolarHBondContact OG1-OG1 3.04Å
183S88.8Confident87.9Confident38 Ų3849.1 Ų49.127%0.26627%0.266SS..Hα-helixtrans-60.3-37.8172.960.40000112.9P181 R186 A187P181-S183 VanDerWaalsContact CB-OG 3.32Å; P181-S183 WeakPolarHBondContact CB-OG 3.47Å; P181-S183 PolarHBondContact O-N 3.22Å; S183-R186 PolarHBondContact O-N 2.91Å; S183-A187 WeakPolarHBondContact O-CB 3.26Å; S183-A187 PolarHBondContact O-N 3.31Å
184W90.8Very high88.3Confident50 Ų5047.1 Ų47.119%0.18925%0.252CS..Hα-helixtrans-66.9-45177.3-62.4-4.7000111D132 I136 I163 K179 F180 P181 T182 R186 A187 V188D132-W184 HydrophobicContact CB-CH2 3.65Å; D132-W184 HydrophobicContact CB-CZ2 4.03Å; D132-W184 HydrophobicContact CB-CZ3 4.27Å; I136-W184 HydrophobicContact CD1-CB 4.09Å; I136-W184 HydrophobicContact CD1-CD2 3.4Å; I136-W184 HydrophobicContact CD1-CE3 4.12Å; I136-W184 HydrophobicContact CD1-CG 3.37Å; I136-W184 HydrophobicContact CD1-CZ2 4.08Å; I136-W184 VanDerWaalsContact CD1-NE1 3.32Å; I136-W184 HydrophobicContact CG1-CB 4.49Å; I136-W184 HydrophobicContact CG1-CD2 4.45Å; I136-W184 HydrophobicContact CG1-CG 4.25Å; I163-W184 HydrophobicContact CG2-CB 4.19Å; K179-W184 WeakPolarHBondContact O-CZ3 3.37Å; F180-W184 HydrophobicContact CD1-CE3 4.39Å; F180-W184 HydrophobicContact CD1-CZ3 4.34Å; P181-W184 HydrophobicContact CB-CD2 4.27Å; P181-W184 HydrophobicContact CB-CG 4.15Å; P181-W184 HydrophobicContact CG-CD2 3.98Å; P181-W184 HydrophobicContact CG-CE3 4.47Å; P181-W184 HydrophobicContact CG-CG 4.36Å; P181-W184 HydrophobicContact CG-CZ2 4.08Å; P181-W184 WeakPolarHBondContact O-CB 3.36Å; P181-W184 PolarHBondContact O-N 3.02Å; P181-W184 VanDerWaalsContact O-N 3.08Å; T182-W184 VanDerWaalsContact C-N 3.32Å; T182-W184 PolarHBondContact O-N 2.9Å; W184-R186 VanDerWaalsContact C-N 3.3Å; W184-R186 PolarHBondContact O-N 3.37Å; W184-A187 PolarHBondContact O-N 3.11Å; W184-V188 WeakPolarHBondContact O-CG2 3.2Å; W184-V188 PolarHBondContact O-N 3.29Å; W184-V188 VanDerWaalsContact O-N 3.08Å
185S92.3Very high89Confident1 Ų138.8 Ų38.81%0.00721%0.213CC..Hα-helixtrans-60.1-40.8175.8-58.10000111.9I163 F164 T182 V188 C189 R209I163-S185 PolarHBondContact O-OG 2.95Å; F164-S185 VanDerWaalsContact O-CB 3.24Å; F164-S185 WeakPolarHBondContact O-CB 3.28Å; F164-S185 PolarHBondContact O-OG 3.26Å; F164-S185 VanDerWaalsContact O-OG 3.05Å; T182-S185 PolarHBondContact O-N 2.96Å; S185-V188 PolarHBondContact O-N 3.43Å; S185-C189 PolarHBondContact O-N 3.13Å; S185-C189 PolarHBondContact O-SG 3.38Å; S185-R209 PolarHBondContact OG-NH2 2.97Å
186R93.8Very high89.4Confident5 Ų535.6 Ų35.62%0.01919%0.191CC..Hα-helixtrans-64.2-41.4174.8-69.9170.8-171.3129.412.9112.6T182 S183 W184 V188 C189 L213 D215 T217 F227T182-R186 WeakPolarHBondContact O-CG 3.47Å; T182-R186 PolarHBondContact O-N 3.39Å; T182-R186 PolarHBondContact OG1-NH1 2.89Å; S183-R186 PolarHBondContact O-N 2.91Å; W184-R186 VanDerWaalsContact C-N 3.3Å; W184-R186 PolarHBondContact O-N 3.37Å; R186-V188 VanDerWaalsContact C-N 3.25Å; R186-V188 PolarHBondContact O-N 2.74Å; R186-C189 VanDerWaalsContact O-CB 3.3Å; R186-C189 WeakPolarHBondContact O-CB 3.42Å; R186-C189 PolarHBondContact O-N 2.94Å; R186-L213 HydrophobicContact CG-CB 4.35Å; R186-L213 HydrophobicContact CG-CD1 4.47Å; R186-L213 HydrophobicContact CG-CD2 4.38Å; R186-L213 PolarHBondContact NE-O 3.22Å; R186-L213 PolarHBondContact NH2-O 3.24Å; R186-D215 IonicContact CZ-OD1 3.78Å; R186-D215 IonicContact NH1-OD1 3.72Å; R186-D215 IonicContact NH2-OD1 2.68Å; R186-D215 PolarHBondContact NH2-OD1 3.43Å; R186-D215 IonicContact NH2-OD2 2.96Å; R186-D215 PolarHBondContact NH2-OD2 2.76Å; R186-T217 PolarHBondContact NH1-O 2.93Å; R186-T217 PolarHBondContact NH1-OG1 2.65Å; R186-T217 PolarHBondContact NH2-OG1 2.95Å; R186-F227 HydrophobicContact CB-CD2 4.02Å; R186-F227 HydrophobicContact CB-CG 4.31Å; R186-F227 HydrophobicContact CG-CD2 4Å; R186-F227 HydrophobicContact CG-CE2 4.1Å; R186-F227 HydrophobicContact CG-CG 4.3Å; R186-F227 HydrophobicContact CG-CZ 4.48Å
187A90.6Very high89.8Confident12 Ų1236.9 Ų36.910%0.09920%0.197CC..Hα-helixtrans-64.2-32.117900000112.4I136 R140 S183 W184 D223I136-A187 HydrophobicContact CG2-CB 4.12Å; R140-A187 HydrophobicContact CG-CB 4.22Å; S183-A187 WeakPolarHBondContact O-CB 3.26Å; S183-A187 PolarHBondContact O-N 3.31Å; W184-A187 PolarHBondContact O-N 3.11Å; A187-D223 HydrophobicContact CB-CB 4.42Å; A187-D223 WeakPolarHBondContact CB-OD2 3.43Å
188V92.6Very high90Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-85.9-10.2-179.3175.40000112.9I139 I160 I163 F164 W184 S185 R186 H190 A191 V192I139-V188 HydrophobicContact CB-CG2 4.31Å; I139-V188 HydrophobicContact CG2-CB 4.22Å; I139-V188 HydrophobicContact CG2-CG1 3.73Å; I139-V188 HydrophobicContact CG2-CG2 3.73Å; I160-V188 HydrophobicContact CB-CG1 4.44Å; I160-V188 HydrophobicContact CG2-CG1 3.44Å; I160-V188 VanDerWaalsContact CG2-CG1 3.44Å; I163-V188 HydrophobicContact CB-CG2 4.44Å; I163-V188 HydrophobicContact CG2-CB 4.43Å; I163-V188 HydrophobicContact CG2-CG2 3.73Å; F164-V188 HydrophobicContact CB-CG1 4.42Å; W184-V188 WeakPolarHBondContact O-CG2 3.2Å; W184-V188 PolarHBondContact O-N 3.29Å; W184-V188 VanDerWaalsContact O-N 3.08Å; S185-V188 PolarHBondContact O-N 3.43Å; R186-V188 VanDerWaalsContact C-N 3.25Å; R186-V188 PolarHBondContact O-N 2.74Å; V188-H190 VanDerWaalsContact C-N 3.29Å; V188-H190 PolarHBondContact O-N 3.01Å; V188-A191 HydrophobicContact CG1-CB 4.37Å; V188-A191 WeakPolarHBondContact O-CB 3.34Å; V188-A191 PolarHBondContact O-N 2.96Å; V188-V192 HydrophobicContact CG1-CG2 4.31Å; V188-V192 PolarHBondContact O-N 3.38Å; V188-V192 VanDerWaalsContact O-N 3.11Å
189C93.8Very high90.2Very high0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-52.4-43.4179.7-75.10000113.4S185 R186 A191 V192 L193 F227 Y234S185-C189 PolarHBondContact O-N 3.13Å; S185-C189 PolarHBondContact O-SG 3.38Å; R186-C189 VanDerWaalsContact O-CB 3.3Å; R186-C189 WeakPolarHBondContact O-CB 3.42Å; R186-C189 PolarHBondContact O-N 2.94Å; C189-A191 VanDerWaalsContact C-N 3.28Å; C189-A191 PolarHBondContact O-N 3.18Å; C189-V192 WeakPolarHBondContact O-CA 3.25Å; C189-V192 WeakPolarHBondContact O-CB 3.37Å; C189-V192 PolarHBondContact O-N 3.18Å; C189-L193 PolarHBondContact O-N 3.08Å; C189-F227 HydrophobicContact CB-CD2 4.02Å; C189-F227 HydrophobicContact CB-CE2 4.5Å; C189-F227 VanDerWaalsContact SG-CD2 3.57Å; C189-F227 VanDerWaalsContact SG-CE2 3.58Å; C189-Y234 PolarHBondContact O-OH 2.97Å; C189-Y234 VanDerWaalsContact O-OH 3.11Å
190H92.6Very high90.4Very high47 Ų4733.6 Ų33.622%0.21818%0.175CC..Hα-helixtrans-61.8-37.7179.9-166.461.9000112.4G143 N144 V188 L193 C194 D230G143-H190 PolarHBondContact O-CD2 3.2Å; G143-H190 VanDerWaalsContact O-CD2 3.31Å; G143-H190 PolarHBondContact O-NE2 2.88Å; N144-H190 PolarHBondContact OD1-CD2 3.48Å; V188-H190 VanDerWaalsContact C-N 3.29Å; V188-H190 PolarHBondContact O-N 3.01Å; H190-L193 WeakPolarHBondContact O-CB 3.24Å; H190-L193 PolarHBondContact O-N 3.08Å; H190-C194 PolarHBondContact O-N 3.47Å; H190-D230 WeakPolarHBondContact CA-OD2 3.45Å; H190-D230 WeakPolarHBondContact CB-OD2 3.34Å; H190-D230 IonicContact CE1-OD1 2.8Å; H190-D230 IonicContact CG-OD1 3.72Å; H190-D230 IonicContact CG-OD2 3.57Å; H190-D230 PolarHBondContact N-OD2 2.77Å; H190-D230 IonicContact ND1-OD1 3.02Å; H190-D230 PolarHBondContact ND1-OD1 3.2Å; H190-D230 IonicContact ND1-OD2 3.23Å; H190-D230 PolarHBondContact ND1-OD2 3.4Å
191A92.8Very high90.7Very high2 Ų231.4 Ų31.42%0.01717%0.165CC..Hα-helixtrans-65.5-39.4174.400000111.3I139 M147 I160 V188 C189 C194 L195I139-A191 HydrophobicContact CG2-CB 3.71Å; M147-A191 HydrophobicContact CE-CB 3.66Å; M147-A191 WeakPolarHBondContact CE-O 3.31Å; I160-A191 HydrophobicContact CD1-CB 4.28Å; I160-A191 HydrophobicContact CG2-CB 4.32Å; V188-A191 HydrophobicContact CG1-CB 4.37Å; V188-A191 WeakPolarHBondContact O-CB 3.34Å; V188-A191 PolarHBondContact O-N 2.96Å; C189-A191 VanDerWaalsContact C-N 3.28Å; C189-A191 PolarHBondContact O-N 3.18Å; A191-C194 PolarHBondContact O-N 3.08Å; A191-L195 WeakPolarHBondContact O-CG 3.47Å; A191-L195 PolarHBondContact O-N 3.27Å
192V94.3Very high90.9Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-63.9-41.1173.91790000111.5I160 I161 F164 V188 C189 C194 L195 I196 L206I160-V192 HydrophobicContact CG2-CG2 3.64Å; I161-V192 HydrophobicContact CD1-CG1 4.44Å; I161-V192 HydrophobicContact CD1-CG2 4.23Å; F164-V192 HydrophobicContact CB-CG2 3.86Å; F164-V192 HydrophobicContact CD1-CG2 4.28Å; F164-V192 HydrophobicContact CD2-CG2 3.98Å; F164-V192 HydrophobicContact CG-CG2 3.76Å; V188-V192 HydrophobicContact CG1-CG2 4.31Å; V188-V192 PolarHBondContact O-N 3.38Å; V188-V192 VanDerWaalsContact O-N 3.11Å; C189-V192 WeakPolarHBondContact O-CA 3.25Å; C189-V192 WeakPolarHBondContact O-CB 3.37Å; C189-V192 PolarHBondContact O-N 3.18Å; V192-C194 VanDerWaalsContact C-N 3.32Å; V192-C194 PolarHBondContact O-N 3.06Å; V192-L195 WeakPolarHBondContact O-CB 3.31Å; V192-L195 PolarHBondContact O-N 3.16Å; V192-I196 HydrophobicContact CG1-CD1 3.9Å; V192-I196 WeakPolarHBondContact O-CD1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.19Å; V192-I196 PolarHBondContact O-N 3.2Å; V192-L206 HydrophobicContact CG1-CD1 3.94Å
193L93Very high91.2Very high7 Ų735.5 Ų35.54%0.03718%0.18CC..Hα-helixtrans-59.4-45.3175.7-177.762.3000111.1C189 H190 L195 I196 Q197 D230 I233 Y234C189-L193 PolarHBondContact O-N 3.08Å; H190-L193 WeakPolarHBondContact O-CB 3.24Å; H190-L193 PolarHBondContact O-N 3.08Å; L193-L195 PolarHBondContact O-N 3.05Å; L193-I196 PolarHBondContact O-N 3.34Å; L193-Q197 HydrophobicContact CD1-CG 4.16Å; L193-Q197 HydrophobicContact CG-CG 4.48Å; L193-Q197 WeakPolarHBondContact O-CG 3.24Å; L193-Q197 PolarHBondContact O-N 3.09Å; L193-D230 HydrophobicContact CD2-CB 4.23Å; L193-D230 WeakPolarHBondContact CD2-OD1 3.4Å; L193-I233 HydrophobicContact CD1-CG2 3.93Å; L193-I233 HydrophobicContact CD2-CB 4.17Å; L193-I233 HydrophobicContact CD2-CD1 3.82Å; L193-I233 HydrophobicContact CD2-CG2 4.02Å; L193-Y234 VanDerWaalsContact CA-OH 3.28Å; L193-Y234 WeakPolarHBondContact CA-OH 3.43Å; L193-Y234 HydrophobicContact CB-CE1 4.22Å; L193-Y234 HydrophobicContact CB-CE2 4.4Å; L193-Y234 WeakPolarHBondContact CB-OH 3.47Å; L193-Y234 HydrophobicContact CD1-CD1 3.92Å; L193-Y234 HydrophobicContact CD1-CE1 3.51Å; L193-Y234 HydrophobicContact CD1-CE2 4.49Å; L193-Y234 HydrophobicContact CG-CE1 4.45Å; L193-Y234 PolarHBondContact N-OH 2.87Å
194C92.1Very high91.2Very high4 Ų439.6 Ų39.63%0.02721%0.206CC..Hα-helixtrans-64.1-37.9175.5-77.20000113.1G143 M147 H190 A191 V192 I196 K198G143-C194 PolarHBondContact O-SG 2.81Å; G143-C194 VanDerWaalsContact O-SG 3.4Å; M147-C194 HydrophobicContact CB-CB 4.29Å; M147-C194 HydrophobicContact CG-CB 4.29Å; M147-C194 HydrophobicContact SD-CB 3.24Å; M147-C194 WeakPolarHBondContact SD-CB 3.41Å; H190-C194 PolarHBondContact O-N 3.47Å; A191-C194 PolarHBondContact O-N 3.08Å; V192-C194 VanDerWaalsContact C-N 3.32Å; V192-C194 PolarHBondContact O-N 3.06Å; C194-I196 VanDerWaalsContact C-N 3.29Å; C194-I196 PolarHBondContact O-N 3Å; C194-K198 WeakPolarHBondContact O-CB 3.47Å; C194-K198 PolarHBondContact O-N 3.06Å
195L92.5Very high91.2Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-57.5-43.9172.6-77169.6000111.1M147 I153 A157 I160 A191 V192 L193 G199 D200 F201M147-L195 HydrophobicContact CE-CD2 4.46Å; M147-L195 HydrophobicContact CE-CG 4.09Å; M147-L195 HydrophobicContact SD-CG 4.42Å; I153-L195 HydrophobicContact CG2-CD2 3.67Å; I153-L195 HydrophobicContact CG2-CG 4.47Å; I153-L195 VanDerWaalsContact O-CD2 3.25Å; I153-L195 WeakPolarHBondContact O-CD2 3.36Å; A157-L195 HydrophobicContact CB-CD1 4.33Å; A157-L195 HydrophobicContact CB-CD2 4.48Å; I160-L195 HydrophobicContact CB-CD1 4.02Å; I160-L195 HydrophobicContact CD1-CD1 3.77Å; I160-L195 HydrophobicContact CD1-CD2 4.43Å; I160-L195 HydrophobicContact CD1-CG 4.21Å; I160-L195 HydrophobicContact CG2-CD1 3.77Å; A191-L195 WeakPolarHBondContact O-CG 3.47Å; A191-L195 PolarHBondContact O-N 3.27Å; V192-L195 WeakPolarHBondContact O-CB 3.31Å; V192-L195 PolarHBondContact O-N 3.16Å; L193-L195 PolarHBondContact O-N 3.05Å; L195-G199 CarbonylContact O-C 3.6Å; L195-G199 WeakPolarHBondContact O-CA 3.25Å; L195-G199 PolarHBondContact O-N 3.25Å; L195-D200 PolarHBondContact O-N 2.88Å; L195-F201 HydrophobicContact CB-CB 3.92Å; L195-F201 HydrophobicContact CB-CD1 4.2Å; L195-F201 HydrophobicContact CB-CG 4.29Å; L195-F201 VanDerWaalsContact O-CB 3.27Å; L195-F201 WeakPolarHBondContact O-CB 3.3Å; L195-F201 PolarHBondContact O-N 3.38Å; L195-F201 VanDerWaalsContact O-N 3.15Å
196I91.8Very high91.3Very high43 Ų4340.3 Ų40.322%0.22121%0.209CC..Hα-helixtrans-69.2-51.2-178.4-65.6158.7000110.8V192 L193 C194 F201 L206 Y234V192-I196 HydrophobicContact CG1-CD1 3.9Å; V192-I196 WeakPolarHBondContact O-CD1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.19Å; V192-I196 PolarHBondContact O-N 3.2Å; L193-I196 PolarHBondContact O-N 3.34Å; C194-I196 VanDerWaalsContact C-N 3.29Å; C194-I196 PolarHBondContact O-N 3Å; I196-F201 WeakPolarHBondContact CA-O 3.36Å; I196-F201 WeakPolarHBondContact CG1-O 3.32Å; I196-L206 HydrophobicContact CD1-CD1 4.04Å; I196-L206 HydrophobicContact CD1-CD2 3.52Å; I196-L206 HydrophobicContact CD1-CG 4.41Å; I196-Y234 HydrophobicContact CD1-CE1 3.82Å
197Q90Very high91.3Very high107 Ų10742.7 Ų42.750%0.522%0.219SC..Hα-helixtrans-72.4-32.1-173.3-70.7-178.6-1800114L193L193-Q197 HydrophobicContact CD1-CG 4.16Å; L193-Q197 HydrophobicContact CG-CG 4.48Å; L193-Q197 WeakPolarHBondContact O-CG 3.24Å; L193-Q197 PolarHBondContact O-N 3.09Å
198K87.1Confident91.4Very high89 Ų8944.8 Ų44.839%0.38723%0.227SC..Hα-helixtrans-115.4-29.4-171.7-60172.2-173.61530113.8N148 I153 C194N148-K198 WeakPolarHBondContact OD1-CD 3.36Å; N148-K198 WeakPolarHBondContact OD1-CE 3.35Å; N148-K198 PolarHBondContact OD1-NZ 3.16Å; I153-K198 HydrophobicContact CD1-CB 3.72Å; I153-K198 HydrophobicContact CD1-CD 4.47Å; C194-K198 WeakPolarHBondContact O-CB 3.47Å; C194-K198 PolarHBondContact O-N 3.06Å
199G84.9Confident91.4Very high14 Ų1445.7 Ų45.714%0.14423%0.231CC..Hα-helixtrans-96.94.4-179.900000114R154 L195 F201R154-G199 PolarHBondContact NE-O 3.2Å; L195-G199 CarbonylContact O-C 3.6Å; L195-G199 WeakPolarHBondContact O-CA 3.25Å; L195-G199 PolarHBondContact O-N 3.25Å; G199-F201 PolarHBondContact O-N 3.3Å; G199-F201 VanDerWaalsContact O-N 3.13Å
200D87.1Confident91.4Very high118 Ų11845.8 Ų45.863%0.63123%0.231SC*.  trans47.338.2-171.4-61.9-45.2000111.8R154 L195R154-D200 PolarHBondContact NH2-O 3.26Å; L195-D200 PolarHBondContact O-N 2.88Å
201F91.4Very high91.4Very high34 Ų3443.8 Ų43.815%0.14922%0.222CC..  trans-82.2127.4-177.7-177-106.4000110.4R154 A157 I161 L195 I196 G199 Y203R154-F201 HydrophobicContact CG-CD2 4.41Å; A157-F201 HydrophobicContact CB-CD2 3.97Å; A157-F201 HydrophobicContact CB-CE2 3.59Å; A157-F201 HydrophobicContact CB-CZ 3.93Å; I161-F201 HydrophobicContact CD1-CD1 4.49Å; I161-F201 HydrophobicContact CD1-CE1 3.53Å; I161-F201 HydrophobicContact CD1-CZ 4.03Å; I161-F201 HydrophobicContact CG1-CE1 3.82Å; I161-F201 HydrophobicContact CG1-CZ 3.78Å; L195-F201 HydrophobicContact CB-CB 3.92Å; L195-F201 HydrophobicContact CB-CD1 4.2Å; L195-F201 HydrophobicContact CB-CG 4.29Å; L195-F201 VanDerWaalsContact O-CB 3.27Å; L195-F201 WeakPolarHBondContact O-CB 3.3Å; L195-F201 PolarHBondContact O-N 3.38Å; L195-F201 VanDerWaalsContact O-N 3.15Å; I196-F201 WeakPolarHBondContact CA-O 3.36Å; I196-F201 WeakPolarHBondContact CG1-O 3.32Å; G199-F201 PolarHBondContact O-N 3.3Å; G199-F201 VanDerWaalsContact O-N 3.13Å; F201-Y203 HydrophobicContact CE1-CD2 4.47Å; F201-Y203 HydrophobicContact CE1-CG 4.38Å
202N90.2Very high91.4Very high134 Ų13447.2 Ų47.272%0.71723%0.234SC*.  trans-111.8118179.1-70.9-32.7000110
203Y92Very high91.3Very high40 Ų4047.2 Ų47.216%0.15723%0.234CC..  trans-117.8103.2175.8-172.4-114.6000111I161 F164 D165 F201 R205 L206I161-Y203 HydrophobicContact CG2-CD2 4.33Å; I161-Y203 HydrophobicContact CG2-CE2 3.91Å; F164-Y203 HydrophobicContact CD1-CE1 4.46Å; F164-Y203 HydrophobicContact CE1-CD1 4.25Å; F164-Y203 HydrophobicContact CE1-CE1 4.13Å; D165-Y203 PolarHBondContact OD2-OH 2.78Å; F201-Y203 HydrophobicContact CE1-CD2 4.47Å; F201-Y203 HydrophobicContact CE1-CG 4.38Å; Y203-R205 VanDerWaalsContact C-N 3.26Å; Y203-R205 HydrophobicContact CE1-CB 3.73Å; Y203-R205 PolarHBondContact O-N 2.55Å; Y203-R205 VanDerWaalsContact O-N 3.16Å; Y203-R205 PolarHBondContact OH-NH1 3.21Å; Y203-R205 VanDerWaalsContact OH-NH1 3.1Å; Y203-L206 HydrophobicContact CD1-CB 4Å; Y203-L206 VanDerWaalsContact CD1-N 3.29Å; Y203-L206 VanDerWaalsContact O-CB 3.22Å; Y203-L206 WeakPolarHBondContact O-CB 3.5Å; Y203-L206 PolarHBondContact O-N 3.37Å; Y203-L206 VanDerWaalsContact O-N 3.12Å
204P90.4Very high91.3Very high124 Ų12446.9 Ų46.981%0.80523%0.233SC*.THydrogen-bonded Turntrans-58.6-30.8-173.5-2835.5000115.2L206P204-L206 VanDerWaalsContact C-N 3.32Å
205R91.1Very high91.3Very high57 Ų5748.5 Ų48.522%0.21524%0.241CC..THydrogen-bonded Turntrans-91.210.7-177.8-69.9179.563-100.49.3113.6D165 D167 P168 Y203 Y207 I208 R209D165-R205 IonicContact OD2-CZ 3.78Å; D165-R205 IonicContact OD2-NH1 2.91Å; D165-R205 PolarHBondContact OD2-NH1 3.28Å; D165-R205 IonicContact OD2-NH2 3.48Å; D167-R205 PolarHBondContact O-NH2 2.94Å; P168-R205 PolarHBondContact O-NE 3.45Å; P168-R205 PolarHBondContact O-NH1 2.94Å; P168-R205 PolarHBondContact O-NH2 3.29Å; Y203-R205 VanDerWaalsContact C-N 3.26Å; Y203-R205 HydrophobicContact CE1-CB 3.73Å; Y203-R205 PolarHBondContact O-N 2.55Å; Y203-R205 VanDerWaalsContact O-N 3.16Å; Y203-R205 PolarHBondContact OH-NH1 3.21Å; Y203-R205 VanDerWaalsContact OH-NH1 3.1Å; R205-Y207 PolarHBondContact O-N 3.29Å; R205-I208 HydrophobicContact CG-CD1 4.46Å; R205-I208 PolarHBondContact O-N 2.91Å; R205-R209 PolarHBondContact O-N 3.23Å
206L93.7Very high91.1Very high10 Ų1055.7 Ų55.75%0.05228%0.275CS..Hα-helixtrans-51.5-56.6-177.9178.268.6000112.5F164 V192 I196 Y203 P204 I208 R209 L210 Y234F164-L206 HydrophobicContact CE1-CD1 4.09Å; F164-L206 HydrophobicContact CZ-CD1 3.91Å; V192-L206 HydrophobicContact CG1-CD1 3.94Å; I196-L206 HydrophobicContact CD1-CD1 4.04Å; I196-L206 HydrophobicContact CD1-CD2 3.52Å; I196-L206 HydrophobicContact CD1-CG 4.41Å; Y203-L206 HydrophobicContact CD1-CB 4Å; Y203-L206 VanDerWaalsContact CD1-N 3.29Å; Y203-L206 VanDerWaalsContact O-CB 3.22Å; Y203-L206 WeakPolarHBondContact O-CB 3.5Å; Y203-L206 PolarHBondContact O-N 3.37Å; Y203-L206 VanDerWaalsContact O-N 3.12Å; P204-L206 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 3.01Å; L206-R209 PolarHBondContact O-N 3.28Å; L206-L210 HydrophobicContact CD1-CD1 4.08Å; L206-L210 HydrophobicContact CD1-CG 4.33Å; L206-L210 HydrophobicContact CG-CD1 3.92Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CG 3.24Å; L206-L210 PolarHBondContact O-N 3.2Å; L206-Y234 HydrophobicContact CD1-CE1 4.17Å; L206-Y234 HydrophobicContact CD2-CD1 4.01Å; L206-Y234 HydrophobicContact CD2-CE1 3.87Å; L206-Y234 HydrophobicContact CG-CE1 4.47Å
207Y93.6Very high91.1Very high55 Ų5556 Ų5622%0.21628%0.279CS..Hα-helixtrans-67.9-35.8-176-67.9-75.7000112.4R205 R209 L210 Y211 Y234 L240 V244 F248R205-Y207 PolarHBondContact O-N 3.29Å; Y207-R209 VanDerWaalsContact C-N 3.31Å; Y207-R209 PolarHBondContact O-N 3.39Å; Y207-L210 HydrophobicContact CD1-CD1 4.41Å; Y207-L210 PolarHBondContact O-N 3.34Å; Y207-Y211 VanDerWaalsContact O-CB 3.28Å; Y207-Y211 WeakPolarHBondContact O-CB 3.4Å; Y207-Y211 PolarHBondContact O-N 2.95Å; Y207-Y234 PolarHBondContact OH-O 3.28Å; Y207-Y234 VanDerWaalsContact OH-O 3.14Å; Y207-L240 HydrophobicContact CD1-CD2 4.28Å; Y207-L240 HydrophobicContact CD2-CD2 4.11Å; Y207-L240 HydrophobicContact CE1-CD1 3.83Å; Y207-L240 HydrophobicContact CE1-CD2 3.65Å; Y207-L240 HydrophobicContact CE1-CG 4.41Å; Y207-L240 HydrophobicContact CE2-CD2 3.44Å; Y207-L240 VanDerWaalsContact CE2-CD2 3.44Å; Y207-L240 HydrophobicContact CG-CD2 4.5Å; Y207-L240 WeakPolarHBondContact OH-CD2 3.32Å; Y207-V244 HydrophobicContact CD1-CG1 4.42Å; Y207-V244 HydrophobicContact CG-CG1 4.39Å; Y207-F248 HydrophobicContact CD1-CE2 4.28Å; Y207-F248 HydrophobicContact CD1-CZ 4.43Å; Y207-F248 VanDerWaalsContact O-CZ 3.3Å; Y207-F248 WeakPolarHBondContact O-CZ 3.24Å
208I92.2Very high91.2Very high55 Ų5551 Ų5128%0.28226%0.255SS..Hα-helixtrans-62.8-43.8176.6-62.7167000109.4R205 L206 Y211 R212 F320R205-I208 HydrophobicContact CG-CD1 4.46Å; R205-I208 PolarHBondContact O-N 2.91Å; L206-I208 PolarHBondContact O-N 3.01Å; I208-Y211 PolarHBondContact O-N 3.38Å; I208-R212 WeakPolarHBondContact O-CG 3.33Å; I208-R212 PolarHBondContact O-N 3.39Å; I208-R212 VanDerWaalsContact O-N 3.09Å; I208-F320 HydrophobicContact CG1-CE2 3.81Å; I208-F320 HydrophobicContact CG1-CZ 4.04Å
209R92.6Very high91.4Very high20 Ų2048.8 Ų48.88%0.07525%0.246CC..Hα-helixtrans-66-48.6176.4-177.857.3174.1-176.712.6112F164 D165 S185 R205 L206 Y207 Y211 R212 L213F164-R209 HydrophobicContact CD1-CG 4.13Å; F164-R209 HydrophobicContact CE1-CB 3.8Å; F164-R209 HydrophobicContact CE1-CG 3.54Å; F164-R209 HydrophobicContact CE2-CG 4.07Å; F164-R209 HydrophobicContact CZ-CB 3.85Å; F164-R209 HydrophobicContact CZ-CG 3.5Å; F164-R209 PolarHBondContact O-NE 3.02Å; F164-R209 PolarHBondContact O-NH2 3.05Å; D165-R209 HydrophobicContact CB-CG 4.06Å; D165-R209 VanDerWaalsContact OD1-CD 3.29Å; D165-R209 WeakPolarHBondContact OD1-CD 3.32Å; D165-R209 IonicContact OD1-CZ 2.6Å; D165-R209 IonicContact OD1-NE 3.72Å; D165-R209 IonicContact OD1-NH1 2.66Å; D165-R209 PolarHBondContact OD1-NH1 2.81Å; S185-R209 PolarHBondContact OG-NH2 2.97Å; R205-R209 PolarHBondContact O-N 3.23Å; L206-R209 PolarHBondContact O-N 3.28Å; Y207-R209 VanDerWaalsContact C-N 3.31Å; Y207-R209 PolarHBondContact O-N 3.39Å; R209-Y211 PolarHBondContact O-N 3.08Å; R209-R212 WeakPolarHBondContact O-CB 3.42Å; R209-R212 PolarHBondContact O-N 3.21Å; R209-L213 HydrophobicContact CG-CD1 4.32Å; R209-L213 HydrophobicContact CG-CG 4.44Å; R209-L213 WeakPolarHBondContact O-CG 3.21Å; R209-L213 PolarHBondContact O-N 3.11Å
210L94.3Very high91.7Very high1 Ų155.7 Ų55.71%0.00527%0.274CS..Hα-helixtrans-56.3-39.9177.4-73.4172.6000111.9F164 L206 Y207 L213 L214 F227 Y234 F248F164-L210 HydrophobicContact CE2-CD2 4.22Å; F164-L210 HydrophobicContact CZ-CD2 4.25Å; F164-L210 HydrophobicContact CZ-CG 4.3Å; L206-L210 HydrophobicContact CD1-CD1 4.08Å; L206-L210 HydrophobicContact CD1-CG 4.33Å; L206-L210 HydrophobicContact CG-CD1 3.92Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CG 3.24Å; L206-L210 PolarHBondContact O-N 3.2Å; Y207-L210 HydrophobicContact CD1-CD1 4.41Å; Y207-L210 PolarHBondContact O-N 3.34Å; L210-L213 PolarHBondContact O-N 3.16Å; L210-L214 PolarHBondContact O-N 3.44Å; L210-F227 HydrophobicContact CD2-CE2 4.18Å; L210-Y234 HydrophobicContact CD1-CD1 4.14Å; L210-Y234 HydrophobicContact CD1-CD2 3.61Å; L210-Y234 HydrophobicContact CD1-CE2 4.02Å; L210-Y234 HydrophobicContact CD1-CG 3.67Å; L210-Y234 HydrophobicContact CD2-CD2 4.12Å; L210-Y234 HydrophobicContact CD2-CE2 4.01Å; L210-F248 HydrophobicContact CB-CE1 4.02Å; L210-F248 HydrophobicContact CB-CZ 3.87Å
211Y93.4Very high91.7Very high6 Ų650.4 Ų50.42%0.02425%0.246CC..Hα-helixtrans-62.5-48.1175.4-175.8-112.7000111Y207 I208 R209 L213 L214 F248 R251 Y313 F320Y207-Y211 VanDerWaalsContact O-CB 3.28Å; Y207-Y211 WeakPolarHBondContact O-CB 3.4Å; Y207-Y211 PolarHBondContact O-N 2.95Å; I208-Y211 PolarHBondContact O-N 3.38Å; R209-Y211 PolarHBondContact O-N 3.08Å; Y211-L213 PolarHBondContact O-N 3.45Å; Y211-L214 WeakPolarHBondContact O-CB 3.44Å; Y211-L214 PolarHBondContact O-N 3.09Å; Y211-F248 HydrophobicContact CD2-CD1 4.46Å; Y211-F248 HydrophobicContact CD2-CD2 4.4Å; Y211-F248 HydrophobicContact CD2-CE1 4.47Å; Y211-F248 HydrophobicContact CD2-CE2 4.41Å; Y211-F248 HydrophobicContact CD2-CG 4.43Å; Y211-F248 HydrophobicContact CD2-CZ 4.46Å; Y211-R251 VanDerWaalsContact C-NH1 3.33Å; Y211-R251 VanDerWaalsContact CD1-NH1 3.32Å; Y211-R251 HydrophobicContact CE2-CB 3.85Å; Y211-R251 VanDerWaalsContact CE2-CD 3.5Å; Y211-R251 HydrophobicContact CE2-CG 4.32Å; Y211-R251 VanDerWaalsContact CE2-NE 3.32Å; Y211-R251 VanDerWaalsContact CZ-NH2 3.28Å; Y211-R251 PolarHBondContact O-NH1 3.18Å; Y211-R251 PolarHBondContact OH-NE 2.62Å; Y211-R251 PolarHBondContact OH-NH2 3.11Å; Y211-Y313 PolarHBondContact OH-OH 2.57Å; Y211-F320 HydrophobicContact CD1-CE1 4.16Å; Y211-F320 HydrophobicContact CD2-CE1 4.2Å; Y211-F320 HydrophobicContact CG-CD1 4.48Å; Y211-F320 AromaticContact CG-CE1 3.82Å; Y211-F320 HydrophobicContact CG-CE1 3.82Å
212R91.1Very high91.5Very high73 Ų7354.1 Ų54.128%0.27527%0.274SS..Hα-helixtrans-61-29.8175.4-72.3176.9172.5-176.1-8.5113.6N170 I208 R209 L214 D318N170-R212 PolarHBondContact OD1-NH1 3.32Å; I208-R212 WeakPolarHBondContact O-CG 3.33Å; I208-R212 PolarHBondContact O-N 3.39Å; I208-R212 VanDerWaalsContact O-N 3.09Å; R209-R212 WeakPolarHBondContact O-CB 3.42Å; R209-R212 PolarHBondContact O-N 3.21Å; R212-L214 PolarHBondContact O-N 3.36Å; R212-D318 IonicContact NH2-OD1 3.5Å; R212-D318 PolarHBondContact NH2-OD1 2.74Å
213L93Very high91.4Very high1 Ų148.8 Ų48.81%0.00525%0.246CC..THydrogen-bonded Turntrans-73-11.1175.2-66.7176.3000113.7F164 R186 R209 L210 Y211 D215 F227F164-L213 HydrophobicContact CD2-CD1 4.43Å; F164-L213 HydrophobicContact CE2-CD1 3.84Å; R186-L213 HydrophobicContact CG-CB 4.35Å; R186-L213 HydrophobicContact CG-CD1 4.47Å; R186-L213 HydrophobicContact CG-CD2 4.38Å; R186-L213 PolarHBondContact NE-O 3.22Å; R186-L213 PolarHBondContact NH2-O 3.24Å; R209-L213 HydrophobicContact CG-CD1 4.32Å; R209-L213 HydrophobicContact CG-CG 4.44Å; R209-L213 WeakPolarHBondContact O-CG 3.21Å; R209-L213 PolarHBondContact O-N 3.11Å; L210-L213 PolarHBondContact O-N 3.16Å; Y211-L213 PolarHBondContact O-N 3.45Å; L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.24Å; L213-F227 HydrophobicContact CB-CE2 4.31Å; L213-F227 HydrophobicContact CB-CZ 4.08Å; L213-F227 HydrophobicContact CD1-CE2 4.24Å
214L93.8Very high91.4Very high0 Ų047.5 Ų47.50%024%0.242CC..  trans-87.170.5170.1-65.8175000109.9L210 Y211 R212 L218 F227 L231 F248 R251 L252 L255L210-L214 PolarHBondContact O-N 3.44Å; Y211-L214 WeakPolarHBondContact O-CB 3.44Å; Y211-L214 PolarHBondContact O-N 3.09Å; R212-L214 PolarHBondContact O-N 3.36Å; L214-L218 HydrophobicContact CD2-CD2 3.85Å; L214-F227 HydrophobicContact CD2-CE1 3.8Å; L214-F227 HydrophobicContact CD2-CZ 4.26Å; L214-L231 HydrophobicContact CD1-CD2 4.23Å; L214-L231 HydrophobicContact CD2-CD2 3.94Å; L214-F248 HydrophobicContact CD1-CD1 3.56Å; L214-F248 HydrophobicContact CD1-CE1 3.86Å; L214-R251 HydrophobicContact CB-CG 3.96Å; L214-R251 HydrophobicContact CD1-CG 4.47Å; L214-R251 VanDerWaalsContact O-CD 3.3Å; L214-R251 WeakPolarHBondContact O-CD 3.36Å; L214-L252 HydrophobicContact CD1-CD2 4.09Å; L214-L252 HydrophobicContact CD1-CG 4.19Å; L214-L252 HydrophobicContact CD2-CD2 3.88Å; L214-L255 HydrophobicContact CB-CD1 3.83Å; L214-L255 HydrophobicContact CD2-CD1 4.22Å
215D90.4Very high91.5Very high37 Ų3744.7 Ų44.720%0.19822%0.217CC..SBendtrans-110.4-177.9175.667.528.5000110.9R186 L213 T217 L218 L255R186-D215 IonicContact CZ-OD1 3.78Å; R186-D215 IonicContact NH1-OD1 3.72Å; R186-D215 IonicContact NH2-OD1 2.68Å; R186-D215 PolarHBondContact NH2-OD1 3.43Å; R186-D215 IonicContact NH2-OD2 2.96Å; R186-D215 PolarHBondContact NH2-OD2 2.76Å; L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.24Å; D215-T217 PolarHBondContact O-N 3.35Å; D215-T217 WeakPolarHBondContact OD1-CA 3.18Å; D215-T217 WeakPolarHBondContact OD1-CB 3.49Å; D215-T217 PolarHBondContact OD1-N 3.31Å; D215-T217 PolarHBondContact OD1-OG1 3.13Å; D215-T217 PolarHBondContact OD2-OG1 3.27Å; D215-L218 WeakPolarHBondContact O-CB 3.04Å; D215-L218 PolarHBondContact O-N 3.02Å; D215-L218 VanDerWaalsContact O-N 3.17Å; D215-L218 PolarHBondContact OD1-N 3.25Å; D215-L255 WeakPolarHBondContact O-CD2 3.18Å
216E89.8Confident91.6Very high152 Ų15244.6 Ų44.671%0.7122%0.224SC*.G310 helixtrans-63.1-26.3-179.6-61.2174.6-172.200113.3L218E216-L218 PolarHBondContact O-N 3.4Å
217T90.4Very high91.6Very high50 Ų5044.2 Ų44.231%0.30722%0.222SC..G310 helixtrans-78.3-0.3178.774.10000113T182 R186 D215 F219 E220T182-T217 PolarHBondContact OG1-OG1 3.04Å; R186-T217 PolarHBondContact NH1-O 2.93Å; R186-T217 PolarHBondContact NH1-OG1 2.65Å; R186-T217 PolarHBondContact NH2-OG1 2.95Å; D215-T217 PolarHBondContact O-N 3.35Å; D215-T217 WeakPolarHBondContact OD1-CA 3.18Å; D215-T217 WeakPolarHBondContact OD1-CB 3.49Å; D215-T217 PolarHBondContact OD1-N 3.31Å; D215-T217 PolarHBondContact OD1-OG1 3.13Å; D215-T217 PolarHBondContact OD2-OG1 3.27Å; T217-F219 PolarHBondContact O-N 3.26Å; T217-E220 PolarHBondContact O-N 2.95Å
218L92.6Very high91.7Very high0 Ų041.6 Ų41.60%021%0.211CC..G310 helixtrans-53.8-41.9-178.8178.463.3000112.3L214 D215 E216 C221 V224 F227 L255L214-L218 HydrophobicContact CD2-CD2 3.85Å; D215-L218 WeakPolarHBondContact O-CB 3.04Å; D215-L218 PolarHBondContact O-N 3.02Å; D215-L218 VanDerWaalsContact O-N 3.17Å; D215-L218 PolarHBondContact OD1-N 3.25Å; E216-L218 PolarHBondContact O-N 3.4Å; L218-C221 WeakPolarHBondContact O-CB 3.34Å; L218-C221 PolarHBondContact O-N 3.48Å; L218-V224 HydrophobicContact CD1-CG2 4.08Å; L218-V224 HydrophobicContact CG-CG2 4.05Å; L218-V224 WeakPolarHBondContact O-CG2 3.27Å; L218-F227 HydrophobicContact CD1-CD1 3.67Å; L218-F227 HydrophobicContact CD1-CE1 3.64Å; L218-L255 HydrophobicContact CD2-CD1 3.94Å
219F91.5Very high91.8Very high43 Ų4341.8 Ų41.819%0.18921%0.212CC..G310 helixtrans-82.2-13.5-174.2-54.4-52.9000114.3T217 C221 V224 L255 S259 P260 L263 I267T217-F219 PolarHBondContact O-N 3.26Å; F219-C221 VanDerWaalsContact C-N 3.29Å; F219-V224 HydrophobicContact CD1-CG2 4.5Å; F219-L255 HydrophobicContact CE2-CB 4.39Å; F219-L255 HydrophobicContact CE2-CD2 4.25Å; F219-L255 WeakPolarHBondContact CE2-O 3.49Å; F219-L255 HydrophobicContact CZ-CB 4.05Å; F219-L255 WeakPolarHBondContact CZ-O 3.37Å; F219-S259 VanDerWaalsContact CE2-CA 3.46Å; F219-P260 HydrophobicContact CB-CG 4.45Å; F219-P260 HydrophobicContact CD1-CG 4.39Å; F219-P260 HydrophobicContact CG-CG 4.49Å; F219-L263 HydrophobicContact CD1-CD1 3.74Å; F219-L263 HydrophobicContact CE1-CD1 4.28Å; F219-I267 HydrophobicContact CE1-CD1 3.85Å; F219-I267 HydrophobicContact CZ-CD1 3.95Å
220E90.3Very high91.8Very high159 Ų15941.1 Ų41.174%0.74321%0.21SC*.G310 helixtrans-80.6-16.9174.4-58.6176.6170.200111.4T217T217-E220 PolarHBondContact O-N 2.95Å
221C88.5Confident91.9Very high7 Ų741.1 Ų41.15%0.04721%0.209CC..  trans-75.3130.3-177-173.50000112.2L218 F219 D223 V224L218-C221 WeakPolarHBondContact O-CB 3.34Å; L218-C221 PolarHBondContact O-N 3.48Å; F219-C221 VanDerWaalsContact C-N 3.29Å; C221-D223 VanDerWaalsContact C-N 3.25Å; C221-D223 PolarHBondContact O-N 3.31Å; C221-V224 WeakPolarHBondContact O-CB 3.34Å; C221-V224 WeakPolarHBondContact O-CG1 3.13Å; C221-V224 PolarHBondContact O-N 3.34Å
222P87.7Confident91.9Very high112 Ų11242.2 Ų42.273%0.72722%0.216SC*.THydrogen-bonded Turntrans-64.3-30.9176.526.3-34.6000112.8V224P222-V224 VanDerWaalsContact C-N 3.31Å; P222-V224 PolarHBondContact O-N 2.91Å
223D87.2Confident92Very high23 Ų2342 Ų4212%0.12322%0.22CC..THydrogen-bonded Turntrans-92.719.9-177.7-69.2-43.9000113.1R140 A187 C221 K225 P226 F227R140-D223 IonicContact CZ-OD1 3.93Å; R140-D223 IonicContact CZ-OD2 3.2Å; R140-D223 IonicContact NE-OD1 2.64Å; R140-D223 PolarHBondContact NE-OD1 2.94Å; R140-D223 IonicContact NE-OD2 3.28Å; R140-D223 PolarHBondContact NE-OD2 2.94Å; R140-D223 IonicContact NH2-OD1 3.08Å; R140-D223 PolarHBondContact NH2-OD1 3.49Å; R140-D223 IonicContact NH2-OD2 2.64Å; A187-D223 HydrophobicContact CB-CB 4.42Å; A187-D223 WeakPolarHBondContact CB-OD2 3.43Å; C221-D223 VanDerWaalsContact C-N 3.25Å; C221-D223 PolarHBondContact O-N 3.31Å; D223-K225 PolarHBondContact O-N 3.39Å; D223-P226 WeakPolarHBondContact O-CD 3.31Å; D223-F227 WeakPolarHBondContact O-CB 3.29Å; D223-F227 PolarHBondContact O-N 3.4Å; D223-F227 VanDerWaalsContact O-N 3.09Å
224V92.4Very high92.1Very high12 Ų1242.4 Ų42.47%0.07322%0.221CC..Hα-helixtrans-58-35.2178.766.40000112.8L218 F219 C221 P222 L228 L263L218-V224 HydrophobicContact CD1-CG2 4.08Å; L218-V224 HydrophobicContact CG-CG2 4.05Å; L218-V224 WeakPolarHBondContact O-CG2 3.27Å; F219-V224 HydrophobicContact CD1-CG2 4.5Å; C221-V224 WeakPolarHBondContact O-CB 3.34Å; C221-V224 WeakPolarHBondContact O-CG1 3.13Å; C221-V224 PolarHBondContact O-N 3.34Å; P222-V224 VanDerWaalsContact C-N 3.31Å; P222-V224 PolarHBondContact O-N 2.91Å; V224-L228 HydrophobicContact CG2-CD1 4.15Å; V224-L228 HydrophobicContact CG2-CG 4.34Å; V224-L228 WeakPolarHBondContact O-CB 3.36Å; V224-L228 VanDerWaalsContact O-CG 3.27Å; V224-L228 WeakPolarHBondContact O-CG 3.18Å; V224-L228 PolarHBondContact O-N 3.26Å; V224-L263 HydrophobicContact CB-CD1 4.49Å; V224-L263 HydrophobicContact CG1-CD1 3.77Å; V224-L263 HydrophobicContact CG1-CD2 4.39Å; V224-L263 HydrophobicContact CG2-CD1 3.88Å
225K93Very high92Very high65 Ų6542.7 Ų42.728%0.28322%0.222SC..Hα-helixtrans-69.3-55.6-178-69178.8-175.1-178.10112.5D223 F227 L228 M229 L263 L368D223-K225 PolarHBondContact O-N 3.39Å; K225-F227 VanDerWaalsContact C-N 3.25Å; K225-F227 PolarHBondContact O-N 3.24Å; K225-L228 PolarHBondContact O-N 2.98Å; K225-M229 HydrophobicContact CB-CE 4.49Å; K225-M229 WeakPolarHBondContact O-CG 3.24Å; K225-M229 PolarHBondContact O-N 2.94Å; K225-M229 VanDerWaalsContact O-N 3.13Å; K225-L263 HydrophobicContact CG-CD2 3.95Å; K225-L368 HydrophobicContact CB-CD1 4.09Å; K225-L368 HydrophobicContact CG-CD1 4.16Å; K225-L368 HydrophobicContact CG-CD2 4.27Å
226P91.9Very high92.1Very high56 Ų5643.7 Ų43.736%0.36423%0.232SC..Hα-helixtrans-53.1-44.3171.2-25.932000112.4D223 L228 M229 D230D223-P226 WeakPolarHBondContact O-CD 3.31Å; P226-L228 PolarHBondContact O-N 3.38Å; P226-M229 WeakPolarHBondContact O-CB 3.37Å; P226-M229 PolarHBondContact O-N 2.84Å; P226-M229 VanDerWaalsContact O-N 3.1Å; P226-D230 PolarHBondContact O-N 3.45Å
227F94.9Very high92.1Very high2 Ų238.4 Ų38.41%0.00921%0.213CC..Hα-helixtrans-58.9-44179.6174.7-98.7000112.9R186 C189 L210 L213 L214 L218 D223 K225 M229 D230 L231R186-F227 HydrophobicContact CB-CD2 4.02Å; R186-F227 HydrophobicContact CB-CG 4.31Å; R186-F227 HydrophobicContact CG-CD2 4Å; R186-F227 HydrophobicContact CG-CE2 4.1Å; R186-F227 HydrophobicContact CG-CG 4.3Å; R186-F227 HydrophobicContact CG-CZ 4.48Å; C189-F227 HydrophobicContact CB-CD2 4.02Å; C189-F227 HydrophobicContact CB-CE2 4.5Å; C189-F227 VanDerWaalsContact SG-CD2 3.57Å; C189-F227 VanDerWaalsContact SG-CE2 3.58Å; L210-F227 HydrophobicContact CD2-CE2 4.18Å; L213-F227 HydrophobicContact CB-CE2 4.31Å; L213-F227 HydrophobicContact CB-CZ 4.08Å; L213-F227 HydrophobicContact CD1-CE2 4.24Å; L214-F227 HydrophobicContact CD2-CE1 3.8Å; L214-F227 HydrophobicContact CD2-CZ 4.26Å; L218-F227 HydrophobicContact CD1-CD1 3.67Å; L218-F227 HydrophobicContact CD1-CE1 3.64Å; D223-F227 WeakPolarHBondContact O-CB 3.29Å; D223-F227 PolarHBondContact O-N 3.4Å; D223-F227 VanDerWaalsContact O-N 3.09Å; K225-F227 VanDerWaalsContact C-N 3.25Å; K225-F227 PolarHBondContact O-N 3.24Å; F227-M229 VanDerWaalsContact C-N 3.33Å; F227-M229 PolarHBondContact O-N 3.39Å; F227-D230 PolarHBondContact O-N 3.17Å; F227-L231 HydrophobicContact CE1-CD2 4.5Å; F227-L231 WeakPolarHBondContact O-CB 3.27Å; F227-L231 PolarHBondContact O-N 2.77Å
228L94.9Very high91.9Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-65.5-35.8176.3-72.9174.7000112.4V224 K225 P226 L231 D232 L263 A266 I267 I270V224-L228 HydrophobicContact CG2-CD1 4.15Å; V224-L228 HydrophobicContact CG2-CG 4.34Å; V224-L228 WeakPolarHBondContact O-CB 3.36Å; V224-L228 VanDerWaalsContact O-CG 3.27Å; V224-L228 WeakPolarHBondContact O-CG 3.18Å; V224-L228 PolarHBondContact O-N 3.26Å; K225-L228 PolarHBondContact O-N 2.98Å; P226-L228 PolarHBondContact O-N 3.38Å; L228-L231 HydrophobicContact CD2-CD2 4.48Å; L228-L231 PolarHBondContact O-N 3.44Å; L228-D232 PolarHBondContact O-N 3.32Å; L228-D232 VanDerWaalsContact O-N 3.14Å; L228-L263 HydrophobicContact CD1-CD2 4.43Å; L228-A266 HydrophobicContact CD1-CB 4.49Å; L228-I267 HydrophobicContact CD1-CG1 4.36Å; L228-I267 HydrophobicContact CD2-CG1 4.39Å; L228-I270 HydrophobicContact CB-CD1 4.14Å; L228-I270 HydrophobicContact CD2-CD1 4.03Å; L228-I270 WeakPolarHBondContact O-CD1 3.38Å
229M93.7Very high91.7Very high59 Ų5949.5 Ų49.529%0.29126%0.263SS..Hα-helixtrans-65.7-44.9174.5-63.1176.5-161.600111.2K225 P226 F227 L231 D232 I233 V364 A365 L368K225-M229 HydrophobicContact CB-CE 4.49Å; K225-M229 WeakPolarHBondContact O-CG 3.24Å; K225-M229 PolarHBondContact O-N 2.94Å; K225-M229 VanDerWaalsContact O-N 3.13Å; P226-M229 WeakPolarHBondContact O-CB 3.37Å; P226-M229 PolarHBondContact O-N 2.84Å; P226-M229 VanDerWaalsContact O-N 3.1Å; F227-M229 VanDerWaalsContact C-N 3.33Å; F227-M229 PolarHBondContact O-N 3.39Å; M229-L231 VanDerWaalsContact C-N 3.3Å; M229-L231 PolarHBondContact O-N 3.13Å; M229-D232 WeakPolarHBondContact O-CB 3.28Å; M229-D232 PolarHBondContact O-N 2.94Å; M229-I233 WeakPolarHBondContact O-CG1 3.42Å; M229-I233 PolarHBondContact O-N 3.46Å; M229-V364 HydrophobicContact CG-CG1 4.11Å; M229-A365 HydrophobicContact CE-CB 3.96Å; M229-A365 HydrophobicContact SD-CB 3.93Å; M229-L368 HydrophobicContact CE-CD1 3.58Å; M229-L368 HydrophobicContact CG-CD1 4.32Å
230D93.9Very high91.7Very high6 Ų648.5 Ų48.53%0.03226%0.26CS..Hα-helixtrans-63.8-38.3176.4-67.1-31.5000111.4H190 L193 P226 F227 D232 I233 Y234H190-D230 WeakPolarHBondContact CA-OD2 3.45Å; H190-D230 WeakPolarHBondContact CB-OD2 3.34Å; H190-D230 IonicContact CE1-OD1 2.8Å; H190-D230 IonicContact CG-OD1 3.72Å; H190-D230 IonicContact CG-OD2 3.57Å; H190-D230 PolarHBondContact N-OD2 2.77Å; H190-D230 IonicContact ND1-OD1 3.02Å; H190-D230 PolarHBondContact ND1-OD1 3.2Å; H190-D230 IonicContact ND1-OD2 3.23Å; H190-D230 PolarHBondContact ND1-OD2 3.4Å; L193-D230 HydrophobicContact CD2-CB 4.23Å; L193-D230 WeakPolarHBondContact CD2-OD1 3.4Å; P226-D230 PolarHBondContact O-N 3.45Å; F227-D230 PolarHBondContact O-N 3.17Å; D230-D232 PolarHBondContact O-N 3.39Å; D230-I233 WeakPolarHBondContact O-CB 3.48Å; D230-I233 PolarHBondContact O-N 3.18Å; D230-I233 VanDerWaalsContact O-N 3.14Å; D230-Y234 HydrophobicContact CB-CD2 4.38Å; D230-Y234 HydrophobicContact CB-CE2 4.11Å; D230-Y234 WeakPolarHBondContact O-CD2 3.32Å; D230-Y234 PolarHBondContact O-N 3.02Å
231L95.1Very high91.8Very high0 Ų043.5 Ų43.50%025%0.246CC..Hα-helixtrans-61.3-42.2177.3-173.866000112.3L214 F227 L228 M229 I233 Y234 L235 F248 L252L214-L231 HydrophobicContact CD1-CD2 4.23Å; L214-L231 HydrophobicContact CD2-CD2 3.94Å; F227-L231 HydrophobicContact CE1-CD2 4.5Å; F227-L231 WeakPolarHBondContact O-CB 3.27Å; F227-L231 PolarHBondContact O-N 2.77Å; L228-L231 HydrophobicContact CD2-CD2 4.48Å; L228-L231 PolarHBondContact O-N 3.44Å; M229-L231 VanDerWaalsContact C-N 3.3Å; M229-L231 PolarHBondContact O-N 3.13Å; L231-I233 VanDerWaalsContact C-N 3.27Å; L231-I233 PolarHBondContact O-N 2.83Å; L231-Y234 PolarHBondContact O-N 3.11Å; L231-L235 HydrophobicContact CD1-CD1 4.16Å; L231-L235 HydrophobicContact CD1-CG 4.3Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 HydrophobicContact CG-CG 4.47Å; L231-L235 WeakPolarHBondContact O-CB 3.19Å; L231-L235 WeakPolarHBondContact O-CG 3.39Å; L231-L235 PolarHBondContact O-N 3.29Å; L231-F248 HydrophobicContact CD1-CD1 4.17Å; L231-F248 HydrophobicContact CD1-CE1 3.93Å; L231-L252 HydrophobicContact CD2-CD1 4.21Å; L231-L252 HydrophobicContact CD2-CD2 4.09Å
232D94.2Very high91.9Very high29 Ų2945.3 Ų45.316%0.15526%0.256CS..Hα-helixtrans-57.7-43.3173.4-167.242.8000110.7L228 M229 D230 L235 S236 I270 N273 V364L228-D232 PolarHBondContact O-N 3.32Å; L228-D232 VanDerWaalsContact O-N 3.14Å; M229-D232 WeakPolarHBondContact O-CB 3.28Å; M229-D232 PolarHBondContact O-N 2.94Å; D230-D232 PolarHBondContact O-N 3.39Å; D232-L235 PolarHBondContact O-N 3.33Å; D232-S236 WeakPolarHBondContact O-CB 3.18Å; D232-S236 PolarHBondContact O-N 3.04Å; D232-I270 HydrophobicContact CB-CG1 4.01Å; D232-N273 PolarHBondContact OD1-ND2 3.39Å; D232-N273 PolarHBondContact OD2-ND2 2.64Å; D232-V364 HydrophobicContact CB-CG2 3.88Å; D232-V364 WeakPolarHBondContact OD2-CG2 3.49Å
233I93.6Very high92.1Very high70 Ų7041.3 Ų41.336%0.35923%0.231SC..Hα-helixtrans-64.7-45.3177.2-60.5167.5000110.9L193 M229 D230 L231 L235 S236L193-I233 HydrophobicContact CD1-CG2 3.93Å; L193-I233 HydrophobicContact CD2-CB 4.17Å; L193-I233 HydrophobicContact CD2-CD1 3.82Å; L193-I233 HydrophobicContact CD2-CG2 4.02Å; M229-I233 WeakPolarHBondContact O-CG1 3.42Å; M229-I233 PolarHBondContact O-N 3.46Å; D230-I233 WeakPolarHBondContact O-CB 3.48Å; D230-I233 PolarHBondContact O-N 3.18Å; D230-I233 VanDerWaalsContact O-N 3.14Å; L231-I233 VanDerWaalsContact C-N 3.27Å; L231-I233 PolarHBondContact O-N 2.83Å; I233-L235 VanDerWaalsContact C-N 3.3Å; I233-L235 PolarHBondContact O-N 3.45Å; I233-S236 WeakPolarHBondContact O-CB 3.49Å; I233-S236 PolarHBondContact O-N 3.23Å; I233-S236 PolarHBondContact O-OG 2.75Å
234Y93.6Very high92.5Very high8 Ų841 Ų413%0.03123%0.23CC..Hα-helixtrans-60-39.5177.5-74.9-58.1000112.9C189 L193 I196 L206 Y207 L210 D230 L231 L240C189-Y234 PolarHBondContact O-OH 2.97Å; C189-Y234 VanDerWaalsContact O-OH 3.11Å; L193-Y234 VanDerWaalsContact CA-OH 3.28Å; L193-Y234 WeakPolarHBondContact CA-OH 3.43Å; L193-Y234 HydrophobicContact CB-CE1 4.22Å; L193-Y234 HydrophobicContact CB-CE2 4.4Å; L193-Y234 WeakPolarHBondContact CB-OH 3.47Å; L193-Y234 HydrophobicContact CD1-CD1 3.92Å; L193-Y234 HydrophobicContact CD1-CE1 3.51Å; L193-Y234 HydrophobicContact CD1-CE2 4.49Å; L193-Y234 HydrophobicContact CG-CE1 4.45Å; L193-Y234 PolarHBondContact N-OH 2.87Å; I196-Y234 HydrophobicContact CD1-CE1 3.82Å; L206-Y234 HydrophobicContact CD1-CE1 4.17Å; L206-Y234 HydrophobicContact CD2-CD1 4.01Å; L206-Y234 HydrophobicContact CD2-CE1 3.87Å; L206-Y234 HydrophobicContact CG-CE1 4.47Å; Y207-Y234 PolarHBondContact OH-O 3.28Å; Y207-Y234 VanDerWaalsContact OH-O 3.14Å; L210-Y234 HydrophobicContact CD1-CD1 4.14Å; L210-Y234 HydrophobicContact CD1-CD2 3.61Å; L210-Y234 HydrophobicContact CD1-CE2 4.02Å; L210-Y234 HydrophobicContact CD1-CG 3.67Å; L210-Y234 HydrophobicContact CD2-CD2 4.12Å; L210-Y234 HydrophobicContact CD2-CE2 4.01Å; D230-Y234 HydrophobicContact CB-CD2 4.38Å; D230-Y234 HydrophobicContact CB-CE2 4.11Å; D230-Y234 WeakPolarHBondContact O-CD2 3.32Å; D230-Y234 PolarHBondContact O-N 3.02Å; L231-Y234 PolarHBondContact O-N 3.11Å; Y234-L240 WeakPolarHBondContact O-CD1 3.37Å
235L93.3Very high92.6Very high6 Ų640.5 Ų40.53%0.03123%0.227CC..Hα-helixtrans-85.1-8.5-179.6-63.3178.5000113.4L231 D232 I233 S237 L240 F248 I270L231-L235 HydrophobicContact CD1-CD1 4.16Å; L231-L235 HydrophobicContact CD1-CG 4.3Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 HydrophobicContact CG-CG 4.47Å; L231-L235 WeakPolarHBondContact O-CB 3.19Å; L231-L235 WeakPolarHBondContact O-CG 3.39Å; L231-L235 PolarHBondContact O-N 3.29Å; D232-L235 PolarHBondContact O-N 3.33Å; I233-L235 VanDerWaalsContact C-N 3.3Å; I233-L235 PolarHBondContact O-N 3.45Å; L235-S237 PolarHBondContact O-N 3.04Å; L235-L240 HydrophobicContact CD2-CD1 4.26Å; L235-F248 HydrophobicContact CD1-CB 4.02Å; L235-F248 HydrophobicContact CD1-CD1 4.18Å; L235-F248 HydrophobicContact CD1-CG 4.22Å; L235-F248 HydrophobicContact CD2-CB 4.16Å; L235-F248 HydrophobicContact CD2-CD1 4.18Å; L235-F248 HydrophobicContact CD2-CD2 3.96Å; L235-F248 HydrophobicContact CD2-CE2 4.39Å; L235-F248 HydrophobicContact CD2-CG 3.84Å; L235-I270 HydrophobicContact CD1-CG2 4.03Å
236S91.2Very high92.6Very high58 Ų5837.4 Ų37.441%0.40621%0.213SC..THydrogen-bonded Turntrans-69.9-15.6176.773.90000113.7D232 I233 I238D232-S236 WeakPolarHBondContact O-CB 3.18Å; D232-S236 PolarHBondContact O-N 3.04Å; I233-S236 WeakPolarHBondContact O-CB 3.49Å; I233-S236 PolarHBondContact O-N 3.23Å; I233-S236 PolarHBondContact O-OG 2.75Å; S236-I238 PolarHBondContact O-N 3.21Å
237S90Very high92.7Very high42 Ų4234.7 Ų34.729%0.29420%0.196SC..  trans-69.2117.4-179179.20000112.1L235 H239 L240 H278L235-S237 PolarHBondContact O-N 3.04Å; S237-H239 PolarHBondContact O-N 2.97Å; S237-H239 VanDerWaalsContact O-N 3.12Å; S237-H239 PolarHBondContact OG-N 3.43Å; S237-L240 WeakPolarHBondContact O-CG 3.42Å; S237-L240 PolarHBondContact O-N 3.22Å; S237-H278 PolarHBondContact O-CE1 3Å; S237-H278 PolarHBondContact O-NE2 2.93Å
238I87.3Confident92.8Very high119 Ų11934.6 Ų34.661%0.6120%0.195SC*.THydrogen-bonded Turntrans-63.9-16.2176.759.9170.4000113.9S236 L240S236-I238 PolarHBondContact O-N 3.21Å; I238-L240 VanDerWaalsContact C-N 3.26Å; I238-L240 PolarHBondContact O-N 3.44Å
239H88.2Confident92.8Very high163 Ų16334.7 Ų34.776%0.75520%0.196SC*.THydrogen-bonded Turntrans-85.12.4-177.6-61.9-59.3000113.5S237S237-H239 PolarHBondContact O-N 2.97Å; S237-H239 VanDerWaalsContact O-N 3.12Å; S237-H239 PolarHBondContact OG-N 3.43Å
240L90.4Very high92.9Very high23 Ų2331.9 Ų31.912%0.1218%0.182CC..SBendtrans-74.5138177.2-62.4174.2000111.9Y207 Y234 L235 S237 I238 T242 V245Y207-L240 HydrophobicContact CD1-CD2 4.28Å; Y207-L240 HydrophobicContact CD2-CD2 4.11Å; Y207-L240 HydrophobicContact CE1-CD1 3.83Å; Y207-L240 HydrophobicContact CE1-CD2 3.65Å; Y207-L240 HydrophobicContact CE1-CG 4.41Å; Y207-L240 HydrophobicContact CE2-CD2 3.44Å; Y207-L240 VanDerWaalsContact CE2-CD2 3.44Å; Y207-L240 HydrophobicContact CG-CD2 4.5Å; Y207-L240 WeakPolarHBondContact OH-CD2 3.32Å; Y234-L240 WeakPolarHBondContact O-CD1 3.37Å; L235-L240 HydrophobicContact CD2-CD1 4.26Å; S237-L240 WeakPolarHBondContact O-CG 3.42Å; S237-L240 PolarHBondContact O-N 3.22Å; I238-L240 VanDerWaalsContact C-N 3.26Å; I238-L240 PolarHBondContact O-N 3.44Å; L240-T242 PolarHBondContact O-N 3.5Å; L240-V245 HydrophobicContact CB-CG2 3.61Å; L240-V245 HydrophobicContact CD1-CG2 4.12Å
241A92.4Very high92.9Very high54 Ų5432.3 Ų32.345%0.44618%0.183SC..  trans-60.9137.8173.700000110.1S243 V244 V245A241-S243 PolarHBondContact O-N 3.27Å; A241-V244 HydrophobicContact CB-CG2 3.96Å; A241-V244 WeakPolarHBondContact O-CB 3.41Å; A241-V244 PolarHBondContact O-N 2.87Å; A241-V244 VanDerWaalsContact O-N 3.08Å; A241-V245 PolarHBondContact O-N 3.45Å
242T91.7Very high93Very high45 Ų4532.4 Ų32.428%0.27618%0.184SC..Hα-helixtrans-57.1-36.1-178.8-48.60000112.5L240 V244 V245 A246 H280 C281 L326L240-T242 PolarHBondContact O-N 3.5Å; T242-V244 PolarHBondContact O-N 3.45Å; T242-V245 PolarHBondContact O-N 3.49Å; T242-A246 WeakPolarHBondContact O-CB 3.43Å; T242-A246 PolarHBondContact O-N 3.36Å; T242-H280 HydrophobicContact CG2-CB 3.52Å; T242-C281 VanDerWaalsContact CG2-SG 3.57Å; T242-L326 HydrophobicContact CG2-CD2 4.08Å
243S92Very high93Very high27 Ų2731 Ų3119%0.18918%0.176CC..Hα-helixtrans-63.8-40.5177.856.60000112.3A241 S247 D321A241-S243 PolarHBondContact O-N 3.27Å; S243-S247 WeakPolarHBondContact O-CB 3.47Å; S243-S247 PolarHBondContact O-N 3.17Å; S243-D321 PolarHBondContact OG-OD1 3.32Å
244V94Very high93.1Very high18 Ų1829.4 Ų29.411%0.10917%0.167CC..Hα-helixtrans-59.4-58.1174.7179.50000108.9Y207 A241 T242 A246 S247 F248 F320Y207-V244 HydrophobicContact CD1-CG1 4.42Å; Y207-V244 HydrophobicContact CG-CG1 4.39Å; A241-V244 HydrophobicContact CB-CG2 3.96Å; A241-V244 WeakPolarHBondContact O-CB 3.41Å; A241-V244 PolarHBondContact O-N 2.87Å; A241-V244 VanDerWaalsContact O-N 3.08Å; T242-V244 PolarHBondContact O-N 3.45Å; V244-A246 VanDerWaalsContact C-N 3.31Å; V244-A246 PolarHBondContact O-N 2.99Å; V244-S247 PolarHBondContact O-N 3.1Å; V244-S247 VanDerWaalsContact O-N 3.08Å; V244-S247 PolarHBondContact O-OG 2.88Å; V244-F248 HydrophobicContact CG1-CD2 3.9Å; V244-F248 HydrophobicContact CG1-CE2 3.79Å; V244-F248 WeakPolarHBondContact O-CD2 3.44Å; V244-F248 PolarHBondContact O-N 3.3Å; V244-F248 VanDerWaalsContact O-N 3.12Å; V244-F320 HydrophobicContact CB-CD2 4.35Å; V244-F320 HydrophobicContact CB-CE2 4.49Å; V244-F320 HydrophobicContact CB-CG 4.44Å; V244-F320 HydrophobicContact CG1-CD2 4.44Å; V244-F320 HydrophobicContact CG1-CE1 4.25Å; V244-F320 HydrophobicContact CG1-CE2 4.12Å; V244-F320 HydrophobicContact CG1-CZ 4Å; V244-F320 HydrophobicContact CG2-CD2 3.57Å; V244-F320 HydrophobicContact CG2-CE2 3.85Å; V244-F320 HydrophobicContact CG2-CG 4.04Å
245V94.6Very high93.2Very high0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-61.1-40.8-176.3-179.70000111.8L240 A241 T242 S247 F248 I249 H278L240-V245 HydrophobicContact CB-CG2 3.61Å; L240-V245 HydrophobicContact CD1-CG2 4.12Å; A241-V245 PolarHBondContact O-N 3.45Å; T242-V245 PolarHBondContact O-N 3.49Å; V245-S247 VanDerWaalsContact C-N 3.33Å; V245-S247 PolarHBondContact O-N 3.14Å; V245-F248 PolarHBondContact O-N 3.35Å; V245-I249 HydrophobicContact CG1-CD1 3.69Å; V245-I249 HydrophobicContact CG1-CG1 4.28Å; V245-I249 VanDerWaalsContact O-CG1 3.32Å; V245-I249 WeakPolarHBondContact O-CG1 3.34Å; V245-I249 PolarHBondContact O-N 2.9Å; V245-H278 HydrophobicContact CG1-CB 4.2Å
246A94.2Very high93.2Very high0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-60.2-41.517600000112.3T242 V244 I249 K250 L284 A325 L326T242-A246 WeakPolarHBondContact O-CB 3.43Å; T242-A246 PolarHBondContact O-N 3.36Å; V244-A246 VanDerWaalsContact C-N 3.31Å; V244-A246 PolarHBondContact O-N 2.99Å; A246-I249 PolarHBondContact O-N 3.22Å; A246-K250 WeakPolarHBondContact O-CB 3.4Å; A246-K250 PolarHBondContact O-N 2.99Å; A246-L284 HydrophobicContact CB-CD1 4.17Å; A246-A325 HydrophobicContact CB-CB 4.18Å; A246-L326 HydrophobicContact CB-CD2 3.52Å; A246-L326 HydrophobicContact CB-CG 3.96Å
247S94.5Very high93.3Very high0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-64.1-41.5176.873.10000112.4S243 V244 V245 K250 R251 F320S243-S247 WeakPolarHBondContact O-CB 3.47Å; S243-S247 PolarHBondContact O-N 3.17Å; V244-S247 PolarHBondContact O-N 3.1Å; V244-S247 VanDerWaalsContact O-N 3.08Å; V244-S247 PolarHBondContact O-OG 2.88Å; V245-S247 VanDerWaalsContact C-N 3.33Å; V245-S247 PolarHBondContact O-N 3.14Å; S247-K250 PolarHBondContact O-N 3.37Å; S247-R251 WeakPolarHBondContact O-CB 3.42Å; S247-R251 PolarHBondContact O-N 3.13Å; S247-F320 WeakPolarHBondContact OG-CD1 3.46Å
248F95.8Very high93.4Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-63.3-48.1175.3-86.8-87000111.7Y207 L210 Y211 L214 L231 L235 V244 V245 K250 R251 L252 F320Y207-F248 HydrophobicContact CD1-CE2 4.28Å; Y207-F248 HydrophobicContact CD1-CZ 4.43Å; Y207-F248 VanDerWaalsContact O-CZ 3.3Å; Y207-F248 WeakPolarHBondContact O-CZ 3.24Å; L210-F248 HydrophobicContact CB-CE1 4.02Å; L210-F248 HydrophobicContact CB-CZ 3.87Å; Y211-F248 HydrophobicContact CD2-CD1 4.46Å; Y211-F248 HydrophobicContact CD2-CD2 4.4Å; Y211-F248 HydrophobicContact CD2-CE1 4.47Å; Y211-F248 HydrophobicContact CD2-CE2 4.41Å; Y211-F248 HydrophobicContact CD2-CG 4.43Å; Y211-F248 HydrophobicContact CD2-CZ 4.46Å; L214-F248 HydrophobicContact CD1-CD1 3.56Å; L214-F248 HydrophobicContact CD1-CE1 3.86Å; L231-F248 HydrophobicContact CD1-CD1 4.17Å; L231-F248 HydrophobicContact CD1-CE1 3.93Å; L235-F248 HydrophobicContact CD1-CB 4.02Å; L235-F248 HydrophobicContact CD1-CD1 4.18Å; L235-F248 HydrophobicContact CD1-CG 4.22Å; L235-F248 HydrophobicContact CD2-CB 4.16Å; L235-F248 HydrophobicContact CD2-CD1 4.18Å; L235-F248 HydrophobicContact CD2-CD2 3.96Å; L235-F248 HydrophobicContact CD2-CE2 4.39Å; L235-F248 HydrophobicContact CD2-CG 3.84Å; V244-F248 HydrophobicContact CG1-CD2 3.9Å; V244-F248 HydrophobicContact CG1-CE2 3.79Å; V244-F248 WeakPolarHBondContact O-CD2 3.44Å; V244-F248 PolarHBondContact O-N 3.3Å; V244-F248 VanDerWaalsContact O-N 3.12Å; V245-F248 PolarHBondContact O-N 3.35Å; F248-K250 VanDerWaalsContact C-N 3.29Å; F248-K250 PolarHBondContact O-N 3.33Å; F248-R251 PolarHBondContact O-N 2.83Å; F248-L252 WeakPolarHBondContact O-CB 3.49Å; F248-L252 VanDerWaalsContact O-CG 3.26Å; F248-L252 WeakPolarHBondContact O-CG 3.37Å; F248-L252 PolarHBondContact O-N 3.23Å; F248-F320 HydrophobicContact CD2-CE1 4.47Å; F248-F320 AromaticContact CE2-CE1 3.92Å; F248-F320 HydrophobicContact CE2-CE1 3.92Å; F248-F320 HydrophobicContact CE2-CZ 4.18Å
249I95.4Very high93.7Very high2 Ų230 Ų301%0.0116%0.157CC..Hα-helixtrans-57.6-45.4178.5-72.7166.8000110.5V245 A246 L252 S253 I271 L275 C281 L284 L330V245-I249 HydrophobicContact CG1-CD1 3.69Å; V245-I249 HydrophobicContact CG1-CG1 4.28Å; V245-I249 VanDerWaalsContact O-CG1 3.32Å; V245-I249 WeakPolarHBondContact O-CG1 3.34Å; V245-I249 PolarHBondContact O-N 2.9Å; A246-I249 PolarHBondContact O-N 3.22Å; I249-L252 PolarHBondContact O-N 3.08Å; I249-S253 PolarHBondContact O-N 3.08Å; I249-I271 HydrophobicContact CG2-CG1 4.39Å; I249-I271 HydrophobicContact CG2-CG2 3.86Å; I249-L275 HydrophobicContact CD1-CD2 3.99Å; I249-L275 HydrophobicContact CD1-CG 4.04Å; I249-C281 HydrophobicContact CD1-CB 4.08Å; I249-L284 HydrophobicContact CB-CD1 4.44Å; I249-L284 HydrophobicContact CG2-CD1 4.03Å; I249-L330 HydrophobicContact CG2-CD1 3.88Å; I249-L330 HydrophobicContact CG2-CD2 3.76Å; I249-L330 HydrophobicContact CG2-CG 4.44Å
250K95.3Very high93.9Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-67.6-41.7-179.9-178.255.3174.3179.80112.8A246 S247 F248 L252 S253 Q254 D311 Y313 A325 S329 L330 E332A246-K250 WeakPolarHBondContact O-CB 3.4Å; A246-K250 PolarHBondContact O-N 2.99Å; S247-K250 PolarHBondContact O-N 3.37Å; F248-K250 VanDerWaalsContact C-N 3.29Å; F248-K250 PolarHBondContact O-N 3.33Å; K250-L252 VanDerWaalsContact C-N 3.35Å; K250-L252 PolarHBondContact O-N 3.28Å; K250-S253 PolarHBondContact O-N 3.27Å; K250-S253 PolarHBondContact O-OG 3.12Å; K250-Q254 PolarHBondContact O-N 3.3Å; K250-Q254 VanDerWaalsContact O-N 3.14Å; K250-D311 WeakPolarHBondContact CE-OD2 3.38Å; K250-D311 IonicContact NZ-OD2 2.61Å; K250-D311 PolarHBondContact NZ-OD2 3.35Å; K250-Y313 HydrophobicContact CB-CD2 4.16Å; K250-Y313 HydrophobicContact CB-CE2 3.99Å; K250-Y313 HydrophobicContact CD-CG 4.31Å; K250-Y313 HydrophobicContact CG-CD1 3.9Å; K250-Y313 HydrophobicContact CG-CD2 3.33Å; K250-Y313 HydrophobicContact CG-CE1 4.06Å; K250-Y313 HydrophobicContact CG-CE2 3.53Å; K250-Y313 HydrophobicContact CG-CG 3.52Å; K250-A325 HydrophobicContact CB-CB 4.23Å; K250-S329 PolarHBondContact NZ-O 3.06Å; K250-L330 HydrophobicContact CD-CD2 4.38Å; K250-E332 WeakPolarHBondContact CE-OE1 3.41Å; K250-E332 IonicContact NZ-OE1 2.78Å; K250-E332 PolarHBondContact NZ-OE1 3.46Å; K250-E332 IonicContact NZ-OE2 3.88Å; K250-E332 PolarHBondContact NZ-OE2 3.34Å
251R95Very high93.8Very high15 Ų1527.1 Ų27.16%0.05715%0.15CC..Hα-helixtrans-63.7-42.3175.2-175.3163.9-83-164.1-0.9111.8Y211 L214 S247 F248 S253 Q254 L255 Y313 W315Y211-R251 VanDerWaalsContact C-NH1 3.33Å; Y211-R251 VanDerWaalsContact CD1-NH1 3.32Å; Y211-R251 HydrophobicContact CE2-CB 3.85Å; Y211-R251 VanDerWaalsContact CE2-CD 3.5Å; Y211-R251 HydrophobicContact CE2-CG 4.32Å; Y211-R251 VanDerWaalsContact CE2-NE 3.32Å; Y211-R251 VanDerWaalsContact CZ-NH2 3.28Å; Y211-R251 PolarHBondContact O-NH1 3.18Å; Y211-R251 PolarHBondContact OH-NE 2.62Å; Y211-R251 PolarHBondContact OH-NH2 3.11Å; L214-R251 HydrophobicContact CB-CG 3.96Å; L214-R251 HydrophobicContact CD1-CG 4.47Å; L214-R251 VanDerWaalsContact O-CD 3.3Å; L214-R251 WeakPolarHBondContact O-CD 3.36Å; S247-R251 WeakPolarHBondContact O-CB 3.42Å; S247-R251 PolarHBondContact O-N 3.13Å; F248-R251 PolarHBondContact O-N 2.83Å; R251-S253 VanDerWaalsContact C-N 3.33Å; R251-S253 PolarHBondContact O-N 3.28Å; R251-Q254 PolarHBondContact O-N 3.21Å; R251-L255 HydrophobicContact CG-CD1 4.25Å; R251-L255 WeakPolarHBondContact O-CG 3.44Å; R251-L255 PolarHBondContact O-N 3.44Å; R251-Y313 WeakPolarHBondContact CB-OH 3.34Å; R251-Y313 PolarHBondContact NE-OH 3.49Å; R251-W315 HydrophobicContact CG-CE3 4.28Å; R251-W315 HydrophobicContact CG-CH2 3.93Å; R251-W315 HydrophobicContact CG-CZ3 3.63Å; R251-W315 PolarHBondContact NH2-O 3.42Å
252L95.9Very high93.7Very high1 Ų125.6 Ų25.61%0.00514%0.136CC..Hα-helixtrans-64.2-36.5175-74172.7000112.2L214 L231 F248 I249 K250 L255 S256 I267 I270 I271L214-L252 HydrophobicContact CD1-CD2 4.09Å; L214-L252 HydrophobicContact CD1-CG 4.19Å; L214-L252 HydrophobicContact CD2-CD2 3.88Å; L231-L252 HydrophobicContact CD2-CD1 4.21Å; L231-L252 HydrophobicContact CD2-CD2 4.09Å; F248-L252 WeakPolarHBondContact O-CB 3.49Å; F248-L252 VanDerWaalsContact O-CG 3.26Å; F248-L252 WeakPolarHBondContact O-CG 3.37Å; F248-L252 PolarHBondContact O-N 3.23Å; I249-L252 PolarHBondContact O-N 3.08Å; K250-L252 VanDerWaalsContact C-N 3.35Å; K250-L252 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 2.96Å; L252-S256 WeakPolarHBondContact O-CB 3.49Å; L252-S256 PolarHBondContact O-N 3.23Å; L252-I267 HydrophobicContact CB-CG2 3.93Å; L252-I267 HydrophobicContact CD2-CG2 4.2Å; L252-I267 WeakPolarHBondContact O-CG2 3.14Å; L252-I270 HydrophobicContact CD1-CB 4.4Å; L252-I270 HydrophobicContact CD1-CG2 3.69Å; L252-I271 HydrophobicContact CB-CD1 4.05Å; L252-I271 HydrophobicContact CB-CG1 4.02Å
253S95.4Very high93.8Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-65.2-40.3176.773.90000111.5I249 K250 R251 S256 L330 E332I249-S253 PolarHBondContact O-N 3.08Å; K250-S253 PolarHBondContact O-N 3.27Å; K250-S253 PolarHBondContact O-OG 3.12Å; R251-S253 VanDerWaalsContact C-N 3.33Å; R251-S253 PolarHBondContact O-N 3.28Å; S253-S256 WeakPolarHBondContact O-CB 3.38Å; S253-S256 PolarHBondContact O-N 3.26Å; S253-S256 PolarHBondContact O-OG 3.23Å; S253-L330 WeakPolarHBondContact OG-CD2 3.23Å; S253-E332 WeakPolarHBondContact O-CB 3.31Å; S253-E332 PolarHBondContact OG-OE2 2.64Å
254Q94.6Very high94Very high36 Ų3622.8 Ų22.817%0.16812%0.117CC..Hα-helixtrans-66.1-46174-71-173.8-20.300112.4K250 R251 S256 L257 F258 W315 E332K250-Q254 PolarHBondContact O-N 3.3Å; K250-Q254 VanDerWaalsContact O-N 3.14Å; R251-Q254 PolarHBondContact O-N 3.21Å; Q254-S256 PolarHBondContact O-N 3.47Å; Q254-L257 WeakPolarHBondContact O-CB 3.22Å; Q254-L257 PolarHBondContact O-N 2.83Å; Q254-L257 VanDerWaalsContact O-N 3.15Å; Q254-F258 WeakPolarHBondContact O-CD2 3.47Å; Q254-W315 HydrophobicContact CB-CE3 4.49Å; Q254-W315 HydrophobicContact CB-CZ3 4Å; Q254-E332 HydrophobicContact CG-CG 4.01Å; Q254-E332 WeakPolarHBondContact CG-OE1 3.47Å; Q254-E332 PolarHBondContact NE2-OE1 3.31Å
255L95.4Very high93.9Very high3 Ų322 Ų222%0.01611%0.112CC..Hα-helixtrans-60.5-31.1175.3-74.7171.3000112.7L214 D215 L218 F219 R251 L252 L257 F258 S259 W315L214-L255 HydrophobicContact CB-CD1 3.83Å; L214-L255 HydrophobicContact CD2-CD1 4.22Å; D215-L255 WeakPolarHBondContact O-CD2 3.18Å; L218-L255 HydrophobicContact CD2-CD1 3.94Å; F219-L255 HydrophobicContact CE2-CB 4.39Å; F219-L255 HydrophobicContact CE2-CD2 4.25Å; F219-L255 WeakPolarHBondContact CE2-O 3.49Å; F219-L255 HydrophobicContact CZ-CB 4.05Å; F219-L255 WeakPolarHBondContact CZ-O 3.37Å; R251-L255 HydrophobicContact CG-CD1 4.25Å; R251-L255 WeakPolarHBondContact O-CG 3.44Å; R251-L255 PolarHBondContact O-N 3.44Å; L252-L255 PolarHBondContact O-N 2.96Å; L255-L257 PolarHBondContact O-N 3.36Å; L255-F258 PolarHBondContact O-N 2.6Å; L255-F258 VanDerWaalsContact O-N 3.16Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.1Å; L255-W315 HydrophobicContact CD1-CH2 4.34Å; L255-W315 HydrophobicContact CD2-CH2 3.78Å; L255-W315 HydrophobicContact CG-CH2 3.81Å; L255-W315 HydrophobicContact CG-CZ3 4.35Å
256S94.7Very high93.9Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-63.6-23.8178.978.30000113.6L252 S253 Q254 L336L252-S256 WeakPolarHBondContact O-CB 3.49Å; L252-S256 PolarHBondContact O-N 3.23Å; S253-S256 WeakPolarHBondContact O-CB 3.38Å; S253-S256 PolarHBondContact O-N 3.26Å; S253-S256 PolarHBondContact O-OG 3.23Å; Q254-S256 PolarHBondContact O-N 3.47Å; S256-L336 WeakPolarHBondContact OG-CD1 3.34Å
257L93.2Very high94Very high68 Ų6822 Ų2236%0.35611%0.112SC..Hα-helixtrans-72.5-32176-62.8-179.5000112.7Q254 L255 W331 E332 L336Q254-L257 WeakPolarHBondContact O-CB 3.22Å; Q254-L257 PolarHBondContact O-N 2.83Å; Q254-L257 VanDerWaalsContact O-N 3.15Å; L255-L257 PolarHBondContact O-N 3.36Å; L257-W331 HydrophobicContact CD1-CH2 4.03Å; L257-W331 HydrophobicContact CD1-CZ3 4.19Å; L257-E332 HydrophobicContact CD1-CB 3.88Å; L257-E332 HydrophobicContact CD1-CG 3.58Å; L257-E332 HydrophobicContact CD2-CB 4.11Å; L257-E332 HydrophobicContact CG-CB 3.94Å; L257-E332 HydrophobicContact CG-CG 4.15Å; L257-L336 HydrophobicContact CD2-CD2 4.45Å; L257-L336 HydrophobicContact CD2-CG 4.36Å
258F91.6Very high94Very high166 Ų16622 Ų2273%0.72811%0.112SC*.Hα-helixtrans-98.2-6.6-179.9-56.1-73.8000112.7Q254 L255Q254-F258 WeakPolarHBondContact O-CD2 3.47Å; L255-F258 PolarHBondContact O-N 2.6Å; L255-F258 VanDerWaalsContact O-N 3.16Å
259S92.6Very high93.9Very high10 Ų1022 Ų227%0.0711%0.112CC..SBendtrans-68.5144.4-175.5175.30000112.1F219 L255F219-S259 VanDerWaalsContact CE2-CA 3.46Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.1Å
260P92.3Very high93.9Very high57 Ų5722 Ų2237%0.3711%0.112SC..  trans-62.1145.716628.2-34.9000110.6F219 S262 L263 I264F219-P260 HydrophobicContact CB-CG 4.45Å; F219-P260 HydrophobicContact CD1-CG 4.39Å; F219-P260 HydrophobicContact CG-CG 4.49Å; P260-S262 PolarHBondContact O-N 2.8Å; P260-L263 HydrophobicContact CG-CB 4.3Å; P260-L263 HydrophobicContact CG-CD1 3.71Å; P260-L263 HydrophobicContact CG-CG 3.98Å; P260-L263 PolarHBondContact O-N 3.28Å; P260-I264 PolarHBondContact O-N 3.26Å
261I90.3Very high93.9Very high68 Ų6822 Ų2235%0.34911%0.112SC..THydrogen-bonded Turntrans-52.6-32.4-177.3-64138.3000112.6L263 P265 Y340 I344I261-L263 PolarHBondContact O-N 2.93Å; I261-P265 VanDerWaalsContact O-CD 3.24Å; I261-P265 WeakPolarHBondContact O-CD 3.36Å; I261-Y340 HydrophobicContact CD1-CE1 3.99Å; I261-Y340 WeakPolarHBondContact CD1-OH 3.3Å; I261-Y340 HydrophobicContact CG1-CE1 4.15Å; I261-I344 HydrophobicContact CG2-CD1 4.03Å
262S90.4Very high93.8Very high22 Ų2222.5 Ų22.515%0.15412%0.115CC..THydrogen-bonded Turntrans-62-24.7178-174.90000114.1P260 I375P260-S262 PolarHBondContact O-N 2.8Å; S262-I375 VanDerWaalsContact CB-CD1 3.5Å
263L93.4Very high93.6Very high7 Ų723.6 Ų23.64%0.03712%0.121CC..THydrogen-bonded Turntrans-109.7-23.1-172.3-59.9179.3000112.7F219 V224 K225 L228 P260 I261 P265 A266 I267 L368F219-L263 HydrophobicContact CD1-CD1 3.74Å; F219-L263 HydrophobicContact CE1-CD1 4.28Å; V224-L263 HydrophobicContact CB-CD1 4.49Å; V224-L263 HydrophobicContact CG1-CD1 3.77Å; V224-L263 HydrophobicContact CG1-CD2 4.39Å; V224-L263 HydrophobicContact CG2-CD1 3.88Å; K225-L263 HydrophobicContact CG-CD2 3.95Å; L228-L263 HydrophobicContact CD1-CD2 4.43Å; P260-L263 HydrophobicContact CG-CB 4.3Å; P260-L263 HydrophobicContact CG-CD1 3.71Å; P260-L263 HydrophobicContact CG-CG 3.98Å; P260-L263 PolarHBondContact O-N 3.28Å; I261-L263 PolarHBondContact O-N 2.93Å; L263-P265 VanDerWaalsContact C-N 3.34Å; L263-A266 WeakPolarHBondContact O-CB 3.45Å; L263-A266 PolarHBondContact O-N 3.48Å; L263-I267 PolarHBondContact O-N 3.07Å; L263-I267 VanDerWaalsContact O-N 3.12Å; L263-L368 HydrophobicContact CD2-CD2 3.69Å
264I94.8Very high93.4Very high6 Ų623.8 Ų23.83%0.03112%0.123CC..Hα-helixtrans-50.1-47.5179.8-62.8171.4000112P260 A266 I267 L268 L336 I344P260-I264 PolarHBondContact O-N 3.26Å; I264-A266 VanDerWaalsContact C-N 3.28Å; I264-A266 PolarHBondContact O-N 3.09Å; I264-I267 PolarHBondContact O-N 2.97Å; I264-L268 HydrophobicContact CG2-CD1 3.9Å; I264-L268 HydrophobicContact CG2-CG 4.11Å; I264-L268 WeakPolarHBondContact O-CG 3.07Å; I264-L268 PolarHBondContact O-N 3.47Å; I264-L336 HydrophobicContact CG2-CD1 4.22Å; I264-I344 HydrophobicContact CB-CD1 3.8Å; I264-I344 HydrophobicContact CB-CG1 4.25Å; I264-I344 HydrophobicContact CD1-CD1 3.96Å; I264-I344 HydrophobicContact CG1-CD1 4.46Å; I264-I344 HydrophobicContact CG2-CB 4.48Å; I264-I344 HydrophobicContact CG2-CD1 3.85Å; I264-I344 HydrophobicContact CG2-CG1 3.93Å; I264-I344 HydrophobicContact CG2-CG2 3.73Å
265P93.8Very high93.3Very high1 Ų122.4 Ų22.41%0.00612%0.117CC..Hα-helixtrans-60.4-34.5179.5-27.938.9000114.1I261 L263 L269 I344 L347 I367 Q371I261-P265 VanDerWaalsContact O-CD 3.24Å; I261-P265 WeakPolarHBondContact O-CD 3.36Å; L263-P265 VanDerWaalsContact C-N 3.34Å; P265-L269 WeakPolarHBondContact O-CB 3.36Å; P265-L269 PolarHBondContact O-N 3.41Å; P265-I344 HydrophobicContact CG-CD1 4.41Å; P265-I344 HydrophobicContact CG-CG1 3.85Å; P265-L347 HydrophobicContact CB-CD1 3.94Å; P265-I367 HydrophobicContact CB-CG2 3.43Å; P265-I367 VanDerWaalsContact CB-CG2 3.43Å; P265-Q371 HydrophobicContact CB-CG 4.35Å; P265-Q371 HydrophobicContact CG-CG 3.96Å
266A94.1Very high93Very high0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-68.7-43.9176.800000111.2L228 L263 I264 L269 I270 V364 L368L228-A266 HydrophobicContact CD1-CB 4.49Å; L263-A266 WeakPolarHBondContact O-CB 3.45Å; L263-A266 PolarHBondContact O-N 3.48Å; I264-A266 VanDerWaalsContact C-N 3.28Å; I264-A266 PolarHBondContact O-N 3.09Å; A266-L269 PolarHBondContact O-N 3.12Å; A266-I270 WeakPolarHBondContact O-CG1 3.45Å; A266-I270 PolarHBondContact O-N 3.45Å; A266-V364 HydrophobicContact CB-CG1 3.92Å; A266-L368 HydrophobicContact CB-CD1 4.28Å; A266-L368 HydrophobicContact CB-CD2 3.64Å; A266-L368 HydrophobicContact CB-CG 3.82Å
267I95.7Very high92.7Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-61.6-46176.5-61.7169.8000110.6F219 L228 L252 L263 I264 L269 I270 I271F219-I267 HydrophobicContact CE1-CD1 3.85Å; F219-I267 HydrophobicContact CZ-CD1 3.95Å; L228-I267 HydrophobicContact CD1-CG1 4.36Å; L228-I267 HydrophobicContact CD2-CG1 4.39Å; L252-I267 HydrophobicContact CB-CG2 3.93Å; L252-I267 HydrophobicContact CD2-CG2 4.2Å; L252-I267 WeakPolarHBondContact O-CG2 3.14Å; L263-I267 PolarHBondContact O-N 3.07Å; L263-I267 VanDerWaalsContact O-N 3.12Å; I264-I267 PolarHBondContact O-N 2.97Å; I267-L269 VanDerWaalsContact C-N 3.31Å; I267-L269 PolarHBondContact O-N 3.16Å; I267-I270 PolarHBondContact O-N 2.88Å; I267-I271 HydrophobicContact CG2-CD1 4.05Å; I267-I271 WeakPolarHBondContact O-CG1 3.4Å; I267-I271 PolarHBondContact O-N 3.29Å
268L95.1Very high92.6Very high0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-61.7-38.2176.7-70.5-179.3000112.2I264 I271 F272 V333 L336 I344 L347 A348 I351I264-L268 HydrophobicContact CG2-CD1 3.9Å; I264-L268 HydrophobicContact CG2-CG 4.11Å; I264-L268 WeakPolarHBondContact O-CG 3.07Å; I264-L268 PolarHBondContact O-N 3.47Å; L268-I271 HydrophobicContact CD2-CD1 4.43Å; L268-I271 PolarHBondContact O-N 2.69Å; L268-F272 WeakPolarHBondContact O-CB 3.42Å; L268-F272 PolarHBondContact O-N 3.3Å; L268-V333 HydrophobicContact CD2-CG1 4.25Å; L268-L336 HydrophobicContact CD1-CD1 4.43Å; L268-L336 HydrophobicContact CD2-CD1 3.95Å; L268-I344 HydrophobicContact CD1-CG2 3.99Å; L268-L347 HydrophobicContact CB-CB 4.36Å; L268-L347 HydrophobicContact CD1-CB 3.98Å; L268-A348 HydrophobicContact CD1-CB 4.45Å; L268-I351 HydrophobicContact CB-CD1 3.96Å; L268-I351 HydrophobicContact CD2-CD1 3.89Å; L268-I351 HydrophobicContact CG-CD1 4.45Å; L268-I351 WeakPolarHBondContact O-CD1 3.49Å
269L93.6Very high92.5Very high1 Ų122.3 Ų22.31%0.00512%0.124CC..Hα-helixtrans-64.6-42.617518065.2000111.9P265 A266 I267 I271 F272 N273 F360 S362 V364 I367P265-L269 WeakPolarHBondContact O-CB 3.36Å; P265-L269 PolarHBondContact O-N 3.41Å; A266-L269 PolarHBondContact O-N 3.12Å; I267-L269 VanDerWaalsContact C-N 3.31Å; I267-L269 PolarHBondContact O-N 3.16Å; L269-I271 VanDerWaalsContact C-N 3.29Å; L269-I271 PolarHBondContact O-N 3.37Å; L269-F272 HydrophobicContact CD1-CD1 4.44Å; L269-F272 WeakPolarHBondContact O-CB 3.46Å; L269-F272 PolarHBondContact O-N 3.28Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 VanDerWaalsContact O-CG 3.25Å; L269-N273 PolarHBondContact O-N 2.9Å; L269-F360 HydrophobicContact CD1-CD1 3.78Å; L269-F360 HydrophobicContact CD1-CE1 4.28Å; L269-S362 WeakPolarHBondContact CD2-O 3.43Å; L269-V364 HydrophobicContact CD2-CB 4.36Å; L269-V364 HydrophobicContact CD2-CG2 3.71Å; L269-V364 HydrophobicContact CG-CG2 4.23Å; L269-I367 HydrophobicContact CB-CD1 3.8Å; L269-I367 HydrophobicContact CD1-CD1 4.31Å; L269-I367 HydrophobicContact CD2-CD1 3.43Å; L269-I367 VanDerWaalsContact CD2-CD1 3.43Å; L269-I367 HydrophobicContact CD2-CG1 4.14Å; L269-I367 HydrophobicContact CG-CD1 4.02Å
270I94.8Very high92.4Very high2 Ų228.3 Ų28.31%0.0115%0.15CC..Hα-helixtrans-60.5-42.3175.9-64.3166.2000110.3L228 D232 L235 L252 A266 I267 N273 G274 V364L228-I270 HydrophobicContact CB-CD1 4.14Å; L228-I270 HydrophobicContact CD2-CD1 4.03Å; L228-I270 WeakPolarHBondContact O-CD1 3.38Å; D232-I270 HydrophobicContact CB-CG1 4.01Å; L235-I270 HydrophobicContact CD1-CG2 4.03Å; L252-I270 HydrophobicContact CD1-CB 4.4Å; L252-I270 HydrophobicContact CD1-CG2 3.69Å; A266-I270 WeakPolarHBondContact O-CG1 3.45Å; A266-I270 PolarHBondContact O-N 3.45Å; I267-I270 PolarHBondContact O-N 2.88Å; I270-N273 PolarHBondContact O-N 3.15Å; I270-G274 PolarHBondContact O-N 2.72Å; I270-V364 HydrophobicContact CG1-CG2 3.88Å
271I94.6Very high92.4Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-61-47.4174.9-69.1166.1000110.7I249 L252 I267 L268 L269 G274 L275 V333 I351I249-I271 HydrophobicContact CG2-CG1 4.39Å; I249-I271 HydrophobicContact CG2-CG2 3.86Å; L252-I271 HydrophobicContact CB-CD1 4.05Å; L252-I271 HydrophobicContact CB-CG1 4.02Å; I267-I271 HydrophobicContact CG2-CD1 4.05Å; I267-I271 WeakPolarHBondContact O-CG1 3.4Å; I267-I271 PolarHBondContact O-N 3.29Å; L268-I271 HydrophobicContact CD2-CD1 4.43Å; L268-I271 PolarHBondContact O-N 2.69Å; L269-I271 VanDerWaalsContact C-N 3.29Å; L269-I271 PolarHBondContact O-N 3.37Å; I271-G274 PolarHBondContact O-N 3.03Å; I271-L275 HydrophobicContact CG2-CD1 3.83Å; I271-L275 HydrophobicContact CG2-CG 4.46Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.33Å; I271-L275 PolarHBondContact O-N 3.44Å; I271-V333 HydrophobicContact CD1-CG2 4.41Å; I271-I351 HydrophobicContact CG2-CD1 4.34Å; I271-I351 HydrophobicContact CG2-CG2 4.26Å
272F92.7Very high92.3Very high25 Ų2526.8 Ų26.811%0.1113%0.133CC..Hα-helixtrans-59.5-48.1177.8178.4-92.7000111.9L268 L269 G274 L275 K276 I351 F360L268-F272 WeakPolarHBondContact O-CB 3.42Å; L268-F272 PolarHBondContact O-N 3.3Å; L269-F272 HydrophobicContact CD1-CD1 4.44Å; L269-F272 WeakPolarHBondContact O-CB 3.46Å; L269-F272 PolarHBondContact O-N 3.28Å; F272-G274 PolarHBondContact O-N 2.98Å; F272-L275 PolarHBondContact O-N 2.96Å; F272-K276 HydrophobicContact CE1-CD 4.28Å; F272-K276 WeakPolarHBondContact O-CB 3.35Å; F272-K276 PolarHBondContact O-N 3.14Å; F272-I351 HydrophobicContact CB-CD1 4.35Å; F272-I351 HydrophobicContact CB-CG1 3.97Å; F272-I351 HydrophobicContact CD2-CG1 4.04Å; F272-F360 HydrophobicContact CD1-CB 4.1Å; F272-F360 HydrophobicContact CE1-CB 3.43Å; F272-F360 VanDerWaalsContact CE1-CB 3.43Å; F272-F360 HydrophobicContact CE1-CG 4.27Å; F272-F360 HydrophobicContact CZ-CB 4.03Å
273N91.8Very high92.3Very high23 Ų2329.6 Ų29.612%0.12315%0.149CC..Hα-helixtrans-60.5-44.7177.2-72.1-11.7000111.3D232 L269 I270 L275 K276 N277D232-N273 PolarHBondContact OD1-ND2 3.39Å; D232-N273 PolarHBondContact OD2-ND2 2.64Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 VanDerWaalsContact O-CG 3.25Å; L269-N273 PolarHBondContact O-N 2.9Å; I270-N273 PolarHBondContact O-N 3.15Å; N273-L275 PolarHBondContact O-N 3.41Å; N273-K276 WeakPolarHBondContact O-CB 3.45Å; N273-K276 PolarHBondContact O-N 3.48Å; N273-N277 WeakPolarHBondContact O-CB 3.38Å; N273-N277 VanDerWaalsContact O-CG 3.28Å; N273-N277 PolarHBondContact O-N 3.43Å; N273-N277 PolarHBondContact O-ND2 3.16Å
274G92.2Very high92.1Very high4 Ų429.3 Ų29.34%0.04115%0.147CC..Hα-helixtrans-59.8-44.3175.900000112.7I270 I271 F272 K276 H278I270-G274 PolarHBondContact O-N 2.72Å; I271-G274 PolarHBondContact O-N 3.03Å; F272-G274 PolarHBondContact O-N 2.98Å; G274-K276 VanDerWaalsContact C-N 3.33Å; G274-K276 PolarHBondContact O-N 3.42Å; G274-H278 WeakPolarHBondContact O-CB 3.42Å; G274-H278 PolarHBondContact O-CD2 2.86Å; G274-H278 PolarHBondContact O-N 3.25Å
275L91.5Very high91.6Very high8 Ų830.7 Ų30.74%0.04215%0.154CC..Hα-helixtrans-70-28.6177.1-69.6168.4000113.4I249 I271 F272 N273 C281 I285 L330 I351I249-L275 HydrophobicContact CD1-CD2 3.99Å; I249-L275 HydrophobicContact CD1-CG 4.04Å; I271-L275 HydrophobicContact CG2-CD1 3.83Å; I271-L275 HydrophobicContact CG2-CG 4.46Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.33Å; I271-L275 PolarHBondContact O-N 3.44Å; F272-L275 PolarHBondContact O-N 2.96Å; N273-L275 PolarHBondContact O-N 3.41Å; L275-C281 HydrophobicContact CD2-CB 3.77Å; L275-C281 WeakPolarHBondContact CD2-O 3.47Å; L275-I285 HydrophobicContact CD1-CD1 3.76Å; L275-I285 HydrophobicContact CD1-CG1 4.41Å; L275-I285 HydrophobicContact CD2-CD1 4.47Å; L275-L330 HydrophobicContact CD1-CD1 4.25Å; L275-L330 HydrophobicContact CD2-CD1 4.48Å; L275-I351 HydrophobicContact CD1-CG2 3.66Å
276K89.1Confident90.7Very high85 Ų8535.6 Ų35.637%0.3718%0.181SC..Hα-helixtrans-72.1-48174.5179.4-179.5174.2-176.70111.1F272 N273 G274F272-K276 HydrophobicContact CE1-CD 4.28Å; F272-K276 WeakPolarHBondContact O-CB 3.35Å; F272-K276 PolarHBondContact O-N 3.14Å; N273-K276 WeakPolarHBondContact O-CB 3.45Å; N273-K276 PolarHBondContact O-N 3.48Å; G274-K276 VanDerWaalsContact C-N 3.33Å; G274-K276 PolarHBondContact O-N 3.42Å
277N89Confident89.1Confident60 Ų6038.6 Ų38.632%0.32120%0.201SC..Hα-helixtrans-72.2-32-178.9-66.4-16.8000112.1N273 P279N273-N277 WeakPolarHBondContact O-CB 3.38Å; N273-N277 VanDerWaalsContact O-CG 3.28Å; N273-N277 PolarHBondContact O-N 3.43Å; N273-N277 PolarHBondContact O-ND2 3.16Å; N277-P279 WeakPolarHBondContact O-CD 3.41Å
278H91.5Very high87.2Confident11 Ų1147.4 Ų47.45%0.05124%0.239CC..  trans-11983.8-178.6-58.3-89.5000110.9S237 V245 G274 H280 C281S237-H278 PolarHBondContact O-CE1 3Å; S237-H278 PolarHBondContact O-NE2 2.93Å; V245-H278 HydrophobicContact CG1-CB 4.2Å; G274-H278 WeakPolarHBondContact O-CB 3.42Å; G274-H278 PolarHBondContact O-CD2 2.86Å; G274-H278 PolarHBondContact O-N 3.25Å; H278-H280 PolarHBondContact O-N 3.24Å; H278-H280 VanDerWaalsContact O-N 3.12Å; H278-C281 HydrophobicContact CB-CB 4.45Å; H278-C281 VanDerWaalsContact O-CB 3.31Å; H278-C281 WeakPolarHBondContact O-CB 3.41Å; H278-C281 PolarHBondContact O-N 3.15Å
279P89.6Confident84.9Confident78 Ų7855.9 Ų55.951%0.50628%0.279SS..G310 helixtrans-62.6-25-17423.9-34.5000113.7N277 C281 R282N277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-C281 PolarHBondContact O-N 3.25Å; P279-R282 VanDerWaalsContact O-CB 3.26Å; P279-R282 WeakPolarHBondContact O-CB 3.39Å; P279-R282 VanDerWaalsContact O-CG 3.31Å; P279-R282 WeakPolarHBondContact O-CG 3.1Å; P279-R282 PolarHBondContact O-N 2.89Å; P279-R282 VanDerWaalsContact O-N 3.1Å
280H90.3Very high82.7Confident137 Ų13765 Ų6563%0.63432%0.318SS*.G310 helixtrans-64.7-24.4174.7-70.9-74.1000113.2T242 H278 R282 V283T242-H280 HydrophobicContact CG2-CB 3.52Å; H278-H280 PolarHBondContact O-N 3.24Å; H278-H280 VanDerWaalsContact O-N 3.12Å; H280-R282 PolarHBondContact O-N 3.33Å; H280-V283 WeakPolarHBondContact O-CG2 3.38Å
281C91.1Very high80.1Confident0 Ų074 Ų740%036%0.357CS..G310 helixtrans-71-12.6174.7-61.40000112.6T242 I249 L275 H278 P279 V283 L284T242-C281 VanDerWaalsContact CG2-SG 3.57Å; I249-C281 HydrophobicContact CD1-CB 4.08Å; L275-C281 HydrophobicContact CD2-CB 3.77Å; L275-C281 WeakPolarHBondContact CD2-O 3.47Å; H278-C281 HydrophobicContact CB-CB 4.45Å; H278-C281 VanDerWaalsContact O-CB 3.31Å; H278-C281 WeakPolarHBondContact O-CB 3.41Å; H278-C281 PolarHBondContact O-N 3.15Å; P279-C281 PolarHBondContact O-N 3.25Å; C281-V283 PolarHBondContact O-N 2.61Å; C281-V283 VanDerWaalsContact O-N 3.1Å; C281-L284 HydrophobicContact CB-CD1 4.41Å; C281-L284 VanDerWaalsContact O-CB 3.27Å; C281-L284 WeakPolarHBondContact O-CB 3.36Å; C281-L284 WeakPolarHBondContact O-CD1 3.11Å; C281-L284 WeakPolarHBondContact O-CG 3.08Å; C281-L284 PolarHBondContact O-N 2.9Å
282R89.5Confident77.7Confident93 Ų9379 Ų7935%0.35139%0.393SS..G310 helixtrans-64.4-13.7176.6-65.4179.8176.7-157.9-3.7113.7P279 H280 L284 I285 N286P279-R282 VanDerWaalsContact O-CB 3.26Å; P279-R282 WeakPolarHBondContact O-CB 3.39Å; P279-R282 VanDerWaalsContact O-CG 3.31Å; P279-R282 WeakPolarHBondContact O-CG 3.1Å; P279-R282 PolarHBondContact O-N 2.89Å; P279-R282 VanDerWaalsContact O-N 3.1Å; H280-R282 PolarHBondContact O-N 3.33Å; R282-L284 PolarHBondContact O-N 2.91Å; R282-I285 PolarHBondContact O-N 3.18Å; R282-I285 VanDerWaalsContact O-N 3.14Å; R282-N286 PolarHBondContact O-N 3.26Å
283V90Very high75.1Confident81 Ų8186.8 Ų86.849%0.49143%0.429SS..G310 helixtrans-55.6-28.8169.4175.90000111.3H280 C281 I285 N286 C287H280-V283 WeakPolarHBondContact O-CG2 3.38Å; C281-V283 PolarHBondContact O-N 2.61Å; C281-V283 VanDerWaalsContact O-N 3.1Å; V283-I285 VanDerWaalsContact C-N 3.33Å; V283-I285 PolarHBondContact O-N 3.22Å; V283-N286 CarbonylContact O-C 3.56Å; V283-N286 VanDerWaalsContact O-C 3.24Å; V283-C287 PolarHBondContact O-N 2.64Å
284L88.5Confident72.5Confident0 Ų094 Ų940%046%0.46CS..G310 helixtrans-68-28178.7-58.9172.7000114A246 I249 C281 R282 A325 S328 S329 L330A246-L284 HydrophobicContact CB-CD1 4.17Å; I249-L284 HydrophobicContact CB-CD1 4.44Å; I249-L284 HydrophobicContact CG2-CD1 4.03Å; C281-L284 HydrophobicContact CB-CD1 4.41Å; C281-L284 VanDerWaalsContact O-CB 3.27Å; C281-L284 WeakPolarHBondContact O-CB 3.36Å; C281-L284 WeakPolarHBondContact O-CD1 3.11Å; C281-L284 WeakPolarHBondContact O-CG 3.08Å; C281-L284 PolarHBondContact O-N 2.9Å; R282-L284 PolarHBondContact O-N 2.91Å; L284-A325 WeakPolarHBondContact CD2-O 3.29Å; L284-S328 WeakPolarHBondContact CD2-O 3.4Å; L284-S329 CarbonylContact O-C 3.24Å; L284-S329 WeakPolarHBondContact O-CA 3.47Å; L284-L330 HydrophobicContact CB-CD1 3.61Å; L284-L330 HydrophobicContact CB-CG 3.73Å; L284-L330 HydrophobicContact CD1-CD1 4.12Å; L284-L330 HydrophobicContact CD1-CG 4.38Å; L284-L330 PolarHBondContact O-N 2.87Å
285I86.1Confident69.9Low35 Ų35100.7 Ų100.718%0.17949%0.494CS..THydrogen-bonded Turntrans-83.7-49.7176.1-63.1159.6000109.2L275 R282 V283 C287 L330 I351 C352L275-I285 HydrophobicContact CD1-CD1 3.76Å; L275-I285 HydrophobicContact CD1-CG1 4.41Å; L275-I285 HydrophobicContact CD2-CD1 4.47Å; R282-I285 PolarHBondContact O-N 3.18Å; R282-I285 VanDerWaalsContact O-N 3.14Å; V283-I285 VanDerWaalsContact C-N 3.33Å; V283-I285 PolarHBondContact O-N 3.22Å; I285-C287 PolarHBondContact O-N 3.42Å; I285-L330 HydrophobicContact CG1-CD1 4.08Å; I285-I351 HydrophobicContact CD1-CG2 4.33Å; I285-I351 WeakPolarHBondContact CD1-O 3.23Å; I285-C352 WeakPolarHBondContact CG2-O 3.35Å
286N74.3Confident67.6Low104 Ų104105.8 Ų105.856%0.55652%0.521SS*.  trans-97.672.1-178.2-75-32.4000109.8R282 V283 K288R282-N286 PolarHBondContact O-N 3.26Å; V283-N286 CarbonylContact O-C 3.56Å; V283-N286 VanDerWaalsContact O-C 3.24Å; N286-K288 PolarHBondContact O-N 3.01Å
287C61Low65.4Low63 Ų63108.4 Ų108.443%0.42654%0.539SS..  trans-6981.5161.8-66.60000107.9V283 I285 Q289 S329V283-C287 PolarHBondContact O-N 2.64Å; I285-C287 PolarHBondContact O-N 3.42Å; C287-Q289 VanDerWaalsContact C-N 3.28Å; C287-Q289 PolarHBondContact O-N 3Å; C287-S329 VanDerWaalsContact SG-CB 3.55Å
288K54.6Low63.1Low185 Ų185111.8 Ų111.880%0.80456%0.556SS**  trans-55.3107.4154.9-67-178.2-177.4178.90103.1N286 K290N286-K288 PolarHBondContact O-N 3.01Å; K288-K290 PolarHBondContact O-N 3.03Å
289Q47.1Very low60.5Low178 Ų178121 Ų12183%0.83260%0.599SS**  trans-41.3114.3167-75.3-178.2-29.500104.7C287 K291C287-Q289 VanDerWaalsContact C-N 3.28Å; C287-Q289 PolarHBondContact O-N 3Å; Q289-K291 PolarHBondContact O-N 3.22Å
290K47.4Very low58.2Low192 Ų192119.9 Ų119.984%0.83559%0.593SS**  trans-55.3102.2167.1-82.7179.1-179.6170.50101.3K288 S292K288-K290 PolarHBondContact O-N 3.03Å; K290-S292 WeakPolarHBondContact O-CA 3.47Å; K290-S292 PolarHBondContact O-N 3.03Å
291K40.3Very low56.1Low191 Ų191120.1 Ų120.183%0.8360%0.599SS**  trans-45.1107.8175.1-80.7-178.9175.9178.90102.4Q289 Q293Q289-K291 PolarHBondContact O-N 3.22Å; K291-Q293 VanDerWaalsContact C-N 3.34Å; K291-Q293 PolarHBondContact O-N 3.06Å
292S43.6Very low53.9Low107 Ų107126.8 Ų126.875%0.74863%0.634SS**  trans-37.5108.7-175.6370000104.6K290 K294K290-S292 WeakPolarHBondContact O-CA 3.47Å; K290-S292 PolarHBondContact O-N 3.03Å; S292-K294 VanDerWaalsContact C-N 3.32Å; S292-K294 PolarHBondContact O-N 3.42Å
293Q39.7Very low51.6Low187 Ų187124.6 Ų124.687%0.87464%0.636SS**  trans-49.4114.4177.6-83.9178.4-22.900103.1K291 L295K291-Q293 VanDerWaalsContact C-N 3.34Å; K291-Q293 PolarHBondContact O-N 3.06Å; Q293-L295 VanDerWaalsContact C-N 3.28Å; Q293-L295 PolarHBondContact O-N 3.12Å
294K35.9Very low49.2Very low175 Ų175127.7 Ų127.776%0.76165%0.649SS**  trans-34.799.6-178-83.1171.9166.3178.50107.6S292 N296S292-K294 VanDerWaalsContact C-N 3.32Å; S292-K294 PolarHBondContact O-N 3.42Å; K294-N296 PolarHBondContact O-N 2.89Å
295L38.7Very low47Very low144 Ų144136.4 Ų136.475%0.75469%0.69SS**  trans-71.177.5153.5-161.574.9000102.3Q293 N297Q293-L295 VanDerWaalsContact C-N 3.28Å; Q293-L295 PolarHBondContact O-N 3.12Å; L295-N297 PolarHBondContact O-N 3.35Å; L295-N297 VanDerWaalsContact O-N 3.13Å
296N41.6Very low45Very low115 Ų115137.8 Ų137.862%0.61571%0.706SS**  trans-53118.9159.8-72.2-26.6000103.9K294K294-N296 PolarHBondContact O-N 2.89Å
297N44.7Very low43.6Very low141 Ų141140.1 Ų140.175%0.75471%0.714SS**SBendtrans7983.2172.8-41.7-21.3000113.5L295L295-N297 PolarHBondContact O-N 3.35Å; L295-N297 VanDerWaalsContact O-N 3.13Å
298I39Very low43.2Very low131 Ų131143 Ų14367%0.67274%0.735SS**  -156108.6111.5-82.4136.7000106S300I298-S300 WeakPolarHBondContact CG2-OG 3.28Å; I298-S300 PolarHBondContact O-N 3.24Å
299Q37.2Very low43.5Very low204 Ų204141 Ų14195%0.95373%0.732SS**  trans-72.496.7165.1-70.8170.7-900106.8
300S42.1Very low45Very low55 Ų55135 Ų13539%0.38572%0.717SS.*  trans-145.4110.8162.458.20000107.3I298 D302 A303I298-S300 WeakPolarHBondContact CG2-OG 3.28Å; I298-S300 PolarHBondContact O-N 3.24Å; S300-D302 PolarHBondContact O-N 3.36Å; S300-A303 WeakPolarHBondContact O-CB 3.3Å; S300-A303 PolarHBondContact O-N 3.05Å
301D44.9Very low46.8Very low142 Ų142128.4 Ų128.476%0.75969%0.691SS**G310 helixtrans-59-10.2-176.9-69.4-38.8000113.5A303D301-A303 VanDerWaalsContact C-N 3.27Å; D301-A303 PolarHBondContact O-N 3.22Å
302D45Very low49.1Very low139 Ų139121.4 Ų121.474%0.74367%0.665SS**G310 helixtrans-74.7-9171.7-67.8-26.9000114.2S300S300-D302 PolarHBondContact O-N 3.36Å
303A42.9Very low51.3Low47 Ų47117.3 Ų117.339%0.38863%0.634SS.*G310 helixtrans-80.1-15.1177.600000113.9S300 D301 H305 A306S300-A303 WeakPolarHBondContact O-CB 3.3Å; S300-A303 PolarHBondContact O-N 3.05Å; D301-A303 VanDerWaalsContact C-N 3.27Å; D301-A303 PolarHBondContact O-N 3.22Å; A303-H305 VanDerWaalsContact C-N 3.29Å; A303-H305 PolarHBondContact O-N 3.38Å; A303-A306 PolarHBondContact O-N 3.45Å
304L39.4Very low53.7Low146 Ų146111.9 Ų111.976%0.76461%0.611SS**SBendtrans-71.1-23.8-179.1-74168.7000113
305H41.1Very low56.2Low183 Ų183106.9 Ų106.985%0.84759%0.587SS**SBendtrans-92.1-12.4176.5-73.8-63.3000114A303A303-H305 VanDerWaalsContact C-N 3.29Å; A303-H305 PolarHBondContact O-N 3.38Å
306A44.5Very low58.4Low64 Ų64108 Ų10853%0.52959%0.588SS.*SBendtrans-99.81-165.300000116.2A303A303-A306 PolarHBondContact O-N 3.45Å
307Q45.3Very low60.3Low154 Ų154103 Ų10372%0.7256%0.563SS**  trans-135.324.3-171.3-73175.31200116.6I309Q307-I309 PolarHBondContact O-N 2.92Å
308S52.2Low61.9Low123 Ų123101.3 Ų101.386%0.8655%0.554SS**  trans-86.161.3150-164.60000108.4G310S308-G310 PolarHBondContact O-N 3.19Å; S308-G310 VanDerWaalsContact O-N 3.17Å
309I60.6Low64Low144 Ų14498.2 Ų98.274%0.73854%0.541SS*.  trans-61.1119161.9-60.2160.2000103.3Q307Q307-I309 PolarHBondContact O-N 2.92Å
310G79.5Confident66.5Low52 Ų5289.9 Ų89.954%0.53650%0.502SS..  trans-56.3-171.6-174.900000113.6S308 P312S308-G310 PolarHBondContact O-N 3.19Å; S308-G310 VanDerWaalsContact O-N 3.17Å; G310-P312 VanDerWaalsContact O-N 3.14Å
311D85.3Confident68.5Low52 Ų5293 Ų9328%0.27851%0.514SS..  trans-52.6122.5179.8-169.649.9000111.2K250 Y313 S328 S329K250-D311 WeakPolarHBondContact CE-OD2 3.38Å; K250-D311 IonicContact NZ-OD2 2.61Å; K250-D311 PolarHBondContact NZ-OD2 3.35Å; D311-Y313 PolarHBondContact O-N 3.29Å; D311-Y313 VanDerWaalsContact O-N 3.07Å; D311-S328 WeakPolarHBondContact OD1-CA 3.36Å; D311-S328 WeakPolarHBondContact OD1-CB 3.07Å; D311-S329 PolarHBondContact OD1-N 3.06Å
312P87.3Confident70.4Confident45 Ų4591.4 Ų91.429%0.29251%0.505SS..  trans-76.34.2-168.831-38.2000114.1G310 N314 E327G310-P312 VanDerWaalsContact O-N 3.14Å; P312-N314 PolarHBondContact O-N 2.73Å; P312-E327 HydrophobicContact CG-CB 3.89Å; P312-E327 VanDerWaalsContact CG-O 3.28Å; P312-E327 WeakPolarHBondContact CG-O 3.32Å
313Y90.5Very high72.4Confident21 Ų2184.8 Ų84.88%0.08247%0.47CS..  trans-67.6129.4-176.1176-104.3000111.3Y211 K250 R251 D311 W315 S323 A325Y211-Y313 PolarHBondContact OH-OH 2.57Å; K250-Y313 HydrophobicContact CB-CD2 4.16Å; K250-Y313 HydrophobicContact CB-CE2 3.99Å; K250-Y313 HydrophobicContact CD-CG 4.31Å; K250-Y313 HydrophobicContact CG-CD1 3.9Å; K250-Y313 HydrophobicContact CG-CD2 3.33Å; K250-Y313 HydrophobicContact CG-CE1 4.06Å; K250-Y313 HydrophobicContact CG-CE2 3.53Å; K250-Y313 HydrophobicContact CG-CG 3.52Å; R251-Y313 WeakPolarHBondContact CB-OH 3.34Å; R251-Y313 PolarHBondContact NE-OH 3.49Å; D311-Y313 PolarHBondContact O-N 3.29Å; D311-Y313 VanDerWaalsContact O-N 3.07Å; Y313-W315 HydrophobicContact CE1-CB 4.32Å; Y313-W315 HydrophobicContact CE1-CE3 4.17Å; Y313-S323 WeakPolarHBondContact CA-O 3.26Å; Y313-S323 WeakPolarHBondContact CD2-O 3.49Å; Y313-A325 HydrophobicContact CD2-CB 4.09Å; Y313-A325 HydrophobicContact CE2-CB 4.22Å
314N90.3Very high74.5Confident73 Ų7388.5 Ų88.539%0.3947%0.474SS..  trans-100.7114.2174.2-1779.8000110.6P312 E316 A317 S323P312-N314 PolarHBondContact O-N 2.73Å; N314-E316 PolarHBondContact OD1-N 3.14Å; N314-A317 HydrophobicContact CB-CB 4.23Å; N314-S323 PolarHBondContact N-O 3.35Å
315W87.5Confident76.9Confident70 Ų7081.7 Ų81.727%0.26544%0.438SS..THydrogen-bonded Turntrans-63.7-41.8176177.6-96.5000112R251 Q254 L255 Y313 A317R251-W315 HydrophobicContact CG-CE3 4.28Å; R251-W315 HydrophobicContact CG-CH2 3.93Å; R251-W315 HydrophobicContact CG-CZ3 3.63Å; R251-W315 PolarHBondContact NH2-O 3.42Å; Q254-W315 HydrophobicContact CB-CE3 4.49Å; Q254-W315 HydrophobicContact CB-CZ3 4Å; L255-W315 HydrophobicContact CD1-CH2 4.34Å; L255-W315 HydrophobicContact CD2-CH2 3.78Å; L255-W315 HydrophobicContact CG-CH2 3.81Å; L255-W315 HydrophobicContact CG-CZ3 4.35Å; Y313-W315 HydrophobicContact CE1-CB 4.32Å; Y313-W315 HydrophobicContact CE1-CE3 4.17Å; W315-A317 VanDerWaalsContact C-N 3.28Å; W315-A317 PolarHBondContact O-N 3.2Å
316E85.1Confident79.2Confident166 Ų16676.4 Ų76.478%0.77642%0.416SS*.THydrogen-bonded Turntrans-88.511.8-172.2-63.5-175.9164.900114N314 D318N314-E316 PolarHBondContact OD1-N 3.14Å; E316-D318 PolarHBondContact O-N 3.49Å
317A83Confident81.3Confident10 Ų1078.3 Ų78.38%0.08341%0.414CS..  trans-61.8130.2-175.800000113.2N314 W315 L322 S323N314-A317 HydrophobicContact CB-CB 4.23Å; W315-A317 VanDerWaalsContact C-N 3.28Å; W315-A317 PolarHBondContact O-N 3.2Å; A317-L322 HydrophobicContact CB-CB 3.98Å; A317-S323 VanDerWaalsContact CB-CA 3.45Å; A317-S323 VanDerWaalsContact CB-N 3.34Å
318D77Confident83.4Confident106 Ų10671 Ų7157%0.56738%0.38SS*.SBendtrans-70.9-29.5176.7-81.9-47.2000113.8R212 E316R212-D318 IonicContact NH2-OD1 3.5Å; R212-D318 PolarHBondContact NH2-OD1 2.74Å; E316-D318 PolarHBondContact O-N 3.49Å
319T83.2Confident85.3Confident66 Ų6666.9 Ų66.941%0.40535%0.351SS..SBendtrans-123.9154179.871.30000110.8D321 L322 S323T319-D321 PolarHBondContact O-N 3.44Å; T319-L322 HydrophobicContact CG2-CD1 4.36Å; T319-L322 PolarHBondContact O-N 2.89Å; T319-L322 WeakPolarHBondContact OG1-CB 3.37Å; T319-L322 VanDerWaalsContact OG1-CD1 3.32Å; T319-L322 WeakPolarHBondContact OG1-CD1 3.38Å; T319-L322 WeakPolarHBondContact OG1-CG 3.46Å; T319-L322 PolarHBondContact OG1-N 3.36Å; T319-S323 PolarHBondContact O-N 3.14Å
320F89.4Confident86.8Confident30 Ų3060.4 Ų60.413%0.13232%0.318CS..THydrogen-bonded Turntrans-62.2-32.3-178.8-56.9-59.7000113.2I208 Y211 V244 S247 F248 S323I208-F320 HydrophobicContact CG1-CE2 3.81Å; I208-F320 HydrophobicContact CG1-CZ 4.04Å; Y211-F320 HydrophobicContact CD1-CE1 4.16Å; Y211-F320 HydrophobicContact CD2-CE1 4.2Å; Y211-F320 HydrophobicContact CG-CD1 4.48Å; Y211-F320 AromaticContact CG-CE1 3.82Å; Y211-F320 HydrophobicContact CG-CE1 3.82Å; V244-F320 HydrophobicContact CB-CD2 4.35Å; V244-F320 HydrophobicContact CB-CE2 4.49Å; V244-F320 HydrophobicContact CB-CG 4.44Å; V244-F320 HydrophobicContact CG1-CD2 4.44Å; V244-F320 HydrophobicContact CG1-CE1 4.25Å; V244-F320 HydrophobicContact CG1-CE2 4.12Å; V244-F320 HydrophobicContact CG1-CZ 4Å; V244-F320 HydrophobicContact CG2-CD2 3.57Å; V244-F320 HydrophobicContact CG2-CE2 3.85Å; V244-F320 HydrophobicContact CG2-CG 4.04Å; S247-F320 WeakPolarHBondContact OG-CD1 3.46Å; F248-F320 HydrophobicContact CD2-CE1 4.47Å; F248-F320 AromaticContact CE2-CE1 3.92Å; F248-F320 HydrophobicContact CE2-CE1 3.92Å; F248-F320 HydrophobicContact CE2-CZ 4.18Å; F320-S323 PolarHBondContact O-N 2.81Å; F320-S323 PolarHBondContact O-OG 2.93Å
321D85Confident87.4Confident121 Ų12163.6 Ų63.665%0.64731%0.314SS*.THydrogen-bonded Turntrans-74.9-35.8179-57.4-37000111.3S243 T319 S323 R324S243-D321 PolarHBondContact OG-OD1 3.32Å; T319-D321 PolarHBondContact O-N 3.44Å; D321-S323 PolarHBondContact O-N 3.27Å; D321-R324 PolarHBondContact O-N 3.49Å
322L85.2Confident87.9Confident107 Ų10761.1 Ų61.156%0.5630%0.3SS*.THydrogen-bonded Turntrans-69.4-19.4175.3-69.9174.1000113A317 T319 R324A317-L322 HydrophobicContact CB-CB 3.98Å; T319-L322 HydrophobicContact CG2-CD1 4.36Å; T319-L322 PolarHBondContact O-N 2.89Å; T319-L322 WeakPolarHBondContact OG1-CB 3.37Å; T319-L322 VanDerWaalsContact OG1-CD1 3.32Å; T319-L322 WeakPolarHBondContact OG1-CD1 3.38Å; T319-L322 WeakPolarHBondContact OG1-CG 3.46Å; T319-L322 PolarHBondContact OG1-N 3.36Å; L322-R324 PolarHBondContact O-N 2.92Å
323S85.9Confident88.2Confident0 Ų059 Ų590%029%0.286CS..THydrogen-bonded Turntrans-70-16.6175.694.50000112.2Y313 N314 A317 T319 F320 D321 A325Y313-S323 WeakPolarHBondContact CA-O 3.26Å; Y313-S323 WeakPolarHBondContact CD2-O 3.49Å; N314-S323 PolarHBondContact N-O 3.35Å; A317-S323 VanDerWaalsContact CB-CA 3.45Å; A317-S323 VanDerWaalsContact CB-N 3.34Å; T319-S323 PolarHBondContact O-N 3.14Å; F320-S323 PolarHBondContact O-N 2.81Å; F320-S323 PolarHBondContact O-OG 2.93Å; D321-S323 PolarHBondContact O-N 3.27Å; S323-A325 PolarHBondContact O-N 3.44Å; S323-A325 WeakPolarHBondContact OG-CB 3.41Å; S323-A325 PolarHBondContact OG-N 3.38Å
324R88.2Confident88.3Confident126 Ų12665.9 Ų65.948%0.47531%0.314SS..THydrogen-bonded Turntrans51.928.1-178.7-59.217767.2119.3-4.7113.5D321 L322 L326 E327 S328D321-R324 PolarHBondContact O-N 3.49Å; L322-R324 PolarHBondContact O-N 2.92Å; R324-L326 VanDerWaalsContact C-N 3.3Å; R324-L326 PolarHBondContact O-N 3.28Å; R324-E327 IonicContact CZ-OE2 2.95Å; R324-E327 IonicContact NE-OE2 3.57Å; R324-E327 PolarHBondContact NE-OE2 3.37Å; R324-E327 IonicContact NH2-OE2 2.75Å; R324-E327 PolarHBondContact NH2-OE2 3.37Å; R324-E327 PolarHBondContact O-N 3.12Å; R324-S328 PolarHBondContact O-N 3.44Å
325A89.5Confident88.4Confident2 Ų265 Ų652%0.01732%0.316CS..G310 helixtrans-59.4-39.6-173.800000112.4A246 K250 L284 Y313 S323 E327 S328A246-A325 HydrophobicContact CB-CB 4.18Å; K250-A325 HydrophobicContact CB-CB 4.23Å; L284-A325 WeakPolarHBondContact CD2-O 3.29Å; Y313-A325 HydrophobicContact CD2-CB 4.09Å; Y313-A325 HydrophobicContact CE2-CB 4.22Å; S323-A325 PolarHBondContact O-N 3.44Å; S323-A325 WeakPolarHBondContact OG-CB 3.41Å; S323-A325 PolarHBondContact OG-N 3.38Å; A325-E327 PolarHBondContact O-N 3.48Å; A325-E327 VanDerWaalsContact O-N 3.15Å; A325-S328 WeakPolarHBondContact O-CB 3.41Å; A325-S328 PolarHBondContact O-N 2.93Å; A325-S328 PolarHBondContact O-OG 2.9Å
326L89.3Confident88.7Confident72 Ų7262.2 Ų62.238%0.37731%0.306SS..G310 helixtrans-64.8-17.8178.5-70.6173000114.5T242 A246 R324T242-L326 HydrophobicContact CG2-CD2 4.08Å; A246-L326 HydrophobicContact CB-CD2 3.52Å; A246-L326 HydrophobicContact CB-CG 3.96Å; R324-L326 VanDerWaalsContact C-N 3.3Å; R324-L326 PolarHBondContact O-N 3.28Å
327E87.5Confident89.1Confident105 Ų10556.3 Ų56.349%0.49128%0.28SS..G310 helixtrans-94.2-8175.7-55.9-177.1165.100112.1P312 R324 A325P312-E327 HydrophobicContact CG-CB 3.89Å; P312-E327 VanDerWaalsContact CG-O 3.28Å; P312-E327 WeakPolarHBondContact CG-O 3.32Å; R324-E327 IonicContact CZ-OE2 2.95Å; R324-E327 IonicContact NE-OE2 3.57Å; R324-E327 PolarHBondContact NE-OE2 3.37Å; R324-E327 IonicContact NH2-OE2 2.75Å; R324-E327 PolarHBondContact NH2-OE2 3.37Å; R324-E327 PolarHBondContact O-N 3.12Å; A325-E327 PolarHBondContact O-N 3.48Å; A325-E327 VanDerWaalsContact O-N 3.15Å
328S90.2Very high89.4Confident1 Ų159.3 Ų59.31%0.00731%0.312CS..SBendtrans-89.6170.4179.679.80000112.4L284 D311 R324 A325L284-S328 WeakPolarHBondContact CD2-O 3.4Å; D311-S328 WeakPolarHBondContact OD1-CA 3.36Å; D311-S328 WeakPolarHBondContact OD1-CB 3.07Å; R324-S328 PolarHBondContact O-N 3.44Å; A325-S328 WeakPolarHBondContact O-CB 3.41Å; A325-S328 PolarHBondContact O-N 2.93Å; A325-S328 PolarHBondContact O-OG 2.9Å
329S91.2Very high90.2Very high35 Ų3556.2 Ų56.225%0.24529%0.294CS..  trans-117.2153.2177.262.50000111.9K250 L284 C287 D311 W331K250-S329 PolarHBondContact NZ-O 3.06Å; L284-S329 CarbonylContact O-C 3.24Å; L284-S329 WeakPolarHBondContact O-CA 3.47Å; C287-S329 VanDerWaalsContact SG-CB 3.55Å; D311-S329 PolarHBondContact OD1-N 3.06Å; S329-W331 PolarHBondContact O-N 3.44Å; S329-W331 VanDerWaalsContact O-N 3.12Å
330L93.3Very high90.5Very high9 Ų961 Ų615%0.04731%0.306CS..  trans-86.750.2173.5-70.1166.7000112.2I249 K250 S253 L275 L284 I285 E332 V333 Y334I249-L330 HydrophobicContact CG2-CD1 3.88Å; I249-L330 HydrophobicContact CG2-CD2 3.76Å; I249-L330 HydrophobicContact CG2-CG 4.44Å; K250-L330 HydrophobicContact CD-CD2 4.38Å; S253-L330 WeakPolarHBondContact OG-CD2 3.23Å; L275-L330 HydrophobicContact CD1-CD1 4.25Å; L275-L330 HydrophobicContact CD2-CD1 4.48Å; L284-L330 HydrophobicContact CB-CD1 3.61Å; L284-L330 HydrophobicContact CB-CG 3.73Å; L284-L330 HydrophobicContact CD1-CD1 4.12Å; L284-L330 HydrophobicContact CD1-CG 4.38Å; L284-L330 PolarHBondContact O-N 2.87Å; I285-L330 HydrophobicContact CG1-CD1 4.08Å; L330-E332 PolarHBondContact O-N 3.32Å; L330-V333 HydrophobicContact CB-CB 4.36Å; L330-V333 HydrophobicContact CB-CG2 4.15Å; L330-V333 HydrophobicContact CD2-CG2 4.35Å; L330-V333 PolarHBondContact O-N 3.16Å; L330-Y334 PolarHBondContact O-N 3.26Å
331W91.9Very high90.6Very high119 Ų11960.3 Ų60.345%0.45130%0.304SS..Hα-helixtrans-62.4-27.3178.668-94.2000112.1L257 S329 V333 Y334 A335L257-W331 HydrophobicContact CD1-CH2 4.03Å; L257-W331 HydrophobicContact CD1-CZ3 4.19Å; S329-W331 PolarHBondContact O-N 3.44Å; S329-W331 VanDerWaalsContact O-N 3.12Å; W331-V333 VanDerWaalsContact C-N 3.34Å; W331-V333 PolarHBondContact O-N 3.49Å; W331-Y334 WeakPolarHBondContact O-CB 3.32Å; W331-Y334 PolarHBondContact O-N 2.86Å; W331-A335 PolarHBondContact O-N 3.19Å
332E94.4Very high90.8Very high0 Ų059.3 Ų59.30%031%0.305CS..Hα-helixtrans-64.5-40.6176.7-56.789.4171.600111.5K250 S253 Q254 L257 L330 Y334 A335 L336K250-E332 WeakPolarHBondContact CE-OE1 3.41Å; K250-E332 IonicContact NZ-OE1 2.78Å; K250-E332 PolarHBondContact NZ-OE1 3.46Å; K250-E332 IonicContact NZ-OE2 3.88Å; K250-E332 PolarHBondContact NZ-OE2 3.34Å; S253-E332 WeakPolarHBondContact O-CB 3.31Å; S253-E332 PolarHBondContact OG-OE2 2.64Å; Q254-E332 HydrophobicContact CG-CG 4.01Å; Q254-E332 WeakPolarHBondContact CG-OE1 3.47Å; Q254-E332 PolarHBondContact NE2-OE1 3.31Å; L257-E332 HydrophobicContact CD1-CB 3.88Å; L257-E332 HydrophobicContact CD1-CG 3.58Å; L257-E332 HydrophobicContact CD2-CB 4.11Å; L257-E332 HydrophobicContact CG-CB 3.94Å; L257-E332 HydrophobicContact CG-CG 4.15Å; L330-E332 PolarHBondContact O-N 3.32Å; E332-Y334 VanDerWaalsContact C-N 3.34Å; E332-A335 PolarHBondContact O-N 3.3Å; E332-L336 PolarHBondContact O-N 3.43Å
333V93.7Very high91Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-67.7-39175.7-176.10000110.4L268 I271 L330 W331 A335 L336 A348 I351L268-V333 HydrophobicContact CD2-CG1 4.25Å; I271-V333 HydrophobicContact CD1-CG2 4.41Å; L330-V333 HydrophobicContact CB-CB 4.36Å; L330-V333 HydrophobicContact CB-CG2 4.15Å; L330-V333 HydrophobicContact CD2-CG2 4.35Å; L330-V333 PolarHBondContact O-N 3.16Å; W331-V333 VanDerWaalsContact C-N 3.34Å; W331-V333 PolarHBondContact O-N 3.49Å; V333-A335 VanDerWaalsContact C-N 3.31Å; V333-A335 PolarHBondContact O-N 3.18Å; V333-L336 WeakPolarHBondContact O-CB 3.35Å; V333-L336 PolarHBondContact O-N 3.34Å; V333-L336 VanDerWaalsContact O-N 3.16Å; V333-A348 HydrophobicContact CG1-CB 4.24Å; V333-I351 HydrophobicContact CG1-CB 3.97Å; V333-I351 HydrophobicContact CG1-CD1 4.12Å; V333-I351 HydrophobicContact CG1-CG2 3.83Å
334Y92.5Very high91.4Very high166 Ų16656.8 Ų56.865%0.65129%0.292SS*.Hα-helixtrans-61.4-39.9175.6-175-97.3000112L330 W331 E332 L336 I337L330-Y334 PolarHBondContact O-N 3.26Å; W331-Y334 WeakPolarHBondContact O-CB 3.32Å; W331-Y334 PolarHBondContact O-N 2.86Å; E332-Y334 VanDerWaalsContact C-N 3.34Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.34Å; Y334-I337 HydrophobicContact CD2-CD1 3.7Å; Y334-I337 HydrophobicContact CE2-CD1 4.05Å; Y334-I337 HydrophobicContact CG-CD1 4.37Å; Y334-I337 VanDerWaalsContact O-CB 3.31Å; Y334-I337 WeakPolarHBondContact O-CB 3.36Å; Y334-I337 WeakPolarHBondContact O-CG1 3.31Å; Y334-I337 PolarHBondContact O-N 3.42Å; Y334-I337 VanDerWaalsContact O-N 3.17Å
335A92.8Very high91.6Very high54 Ų5452.3 Ų52.345%0.44628%0.28SS..Hα-helixtrans-61.9-35.2175.500000112.5W331 E332 V333 I337 G338W331-A335 PolarHBondContact O-N 3.19Å; E332-A335 PolarHBondContact O-N 3.3Å; V333-A335 VanDerWaalsContact C-N 3.31Å; V333-A335 PolarHBondContact O-N 3.18Å; A335-I337 PolarHBondContact O-N 2.96Å; A335-G338 PolarHBondContact O-N 3.34Å
336L94.2Very high91.8Very high11 Ų1155.1 Ų55.16%0.05830%0.299CS..G310 helixtrans-69-11.2177.6-70.5174.8000114.3S256 L257 I264 L268 E332 V333 Y334 G338 H339 I344 A348S256-L336 WeakPolarHBondContact OG-CD1 3.34Å; L257-L336 HydrophobicContact CD2-CD2 4.45Å; L257-L336 HydrophobicContact CD2-CG 4.36Å; I264-L336 HydrophobicContact CG2-CD1 4.22Å; L268-L336 HydrophobicContact CD1-CD1 4.43Å; L268-L336 HydrophobicContact CD2-CD1 3.95Å; E332-L336 PolarHBondContact O-N 3.43Å; V333-L336 WeakPolarHBondContact O-CB 3.35Å; V333-L336 PolarHBondContact O-N 3.34Å; V333-L336 VanDerWaalsContact O-N 3.16Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.34Å; L336-G338 PolarHBondContact O-N 3.48Å; L336-H339 HydrophobicContact CD2-CB 4.48Å; L336-H339 WeakPolarHBondContact O-CB 3.32Å; L336-H339 PolarHBondContact O-N 2.81Å; L336-H339 VanDerWaalsContact O-N 3.12Å; L336-I344 HydrophobicContact CB-CG2 4.33Å; L336-I344 HydrophobicContact CD2-CG2 4.34Å; L336-A348 HydrophobicContact CB-CB 3.88Å
337I93.2Very high91.9Very high42 Ų4252.7 Ų52.722%0.21529%0.287CS..G310 helixtrans-61.4-35.5171.4-61.2175.7000110.6Y334 A335 H339 S345 A348 Y349 C352Y334-I337 HydrophobicContact CD2-CD1 3.7Å; Y334-I337 HydrophobicContact CE2-CD1 4.05Å; Y334-I337 HydrophobicContact CG-CD1 4.37Å; Y334-I337 VanDerWaalsContact O-CB 3.31Å; Y334-I337 WeakPolarHBondContact O-CB 3.36Å; Y334-I337 WeakPolarHBondContact O-CG1 3.31Å; Y334-I337 PolarHBondContact O-N 3.42Å; Y334-I337 VanDerWaalsContact O-N 3.17Å; A335-I337 PolarHBondContact O-N 2.96Å; I337-H339 PolarHBondContact O-N 3.44Å; I337-S345 WeakPolarHBondContact O-CB 3.08Å; I337-S345 PolarHBondContact O-OG 3.33Å; I337-A348 HydrophobicContact CG1-CB 3.93Å; I337-Y349 HydrophobicContact CG2-CD2 4.41Å; I337-C352 HydrophobicContact CD1-CB 4Å
338G90.6Very high92.2Very high73 Ų7347.7 Ų47.775%0.75326%0.263SS*.G310 helixtrans-81.56.917700000114.6A335 L336A335-G338 PolarHBondContact O-N 3.34Å; L336-G338 PolarHBondContact O-N 3.48Å
339H92.6Very high92.3Very high42 Ų4253.9 Ų53.919%0.19429%0.287CS..  trans-67.3142.4-175.4-172.2-88.2000111.8L336 I337 S341 I344L336-H339 HydrophobicContact CD2-CB 4.48Å; L336-H339 WeakPolarHBondContact O-CB 3.32Å; L336-H339 PolarHBondContact O-N 2.81Å; L336-H339 VanDerWaalsContact O-N 3.12Å; I337-H339 PolarHBondContact O-N 3.44Å; H339-S341 VanDerWaalsContact C-N 3.26Å; H339-S341 WeakPolarHBondContact ND1-CB 3.43Å; H339-S341 PolarHBondContact ND1-N 3.23Å; H339-S341 PolarHBondContact O-N 3.23Å; H339-I344 HydrophobicContact CB-CB 4.45Å; H339-I344 HydrophobicContact CB-CG2 3.87Å; H339-I344 VanDerWaalsContact CE1-CD1 3.44Å; H339-I344 WeakPolarHBondContact CE1-CD1 3.41Å
340Y90.9Very high92.3Very high166 Ų16655.4 Ų55.465%0.65129%0.289SS*.SBendtrans-61.8-31.8-175.483.6-87.6000113.6I261I261-Y340 HydrophobicContact CD1-CE1 3.99Å; I261-Y340 WeakPolarHBondContact CD1-OH 3.3Å; I261-Y340 HydrophobicContact CG1-CE1 4.15Å
341S90.1Very high92.2Very high15 Ų1555.1 Ų55.111%0.10529%0.288CS..SBendtrans-78.3122.8178.1178.20000110.8H339 D343 I344 S345H339-S341 VanDerWaalsContact C-N 3.26Å; H339-S341 WeakPolarHBondContact ND1-CB 3.43Å; H339-S341 PolarHBondContact ND1-N 3.23Å; H339-S341 PolarHBondContact O-N 3.23Å; S341-D343 VanDerWaalsContact C-N 3.33Å; S341-D343 PolarHBondContact O-N 3.37Å; S341-I344 PolarHBondContact O-N 3.17Å; S341-S345 PolarHBondContact O-N 3.37Å
342P89.6Confident92Very high101 Ų10150.4 Ų50.466%0.65627%0.273SS*.Hα-helixtrans-66.8-32.1-175.926.9-34.8000113I344 S346P342-I344 VanDerWaalsContact C-N 3.31Å; P342-I344 PolarHBondContact O-N 3.28Å; P342-S346 VanDerWaalsContact O-CB 3.23Å; P342-S346 WeakPolarHBondContact O-CB 3.47Å; P342-S346 PolarHBondContact O-N 3.45Å
343D89.7Confident91.7Very high53 Ų5353.8 Ų53.828%0.28329%0.291SS..Hα-helixtrans-60.9-42.5176.4-83.6-18.8000110.8S341 L347 K370 Q371S341-D343 VanDerWaalsContact C-N 3.33Å; S341-D343 PolarHBondContact O-N 3.37Å; D343-L347 WeakPolarHBondContact O-CG 3.02Å; D343-L347 PolarHBondContact O-N 2.91Å; D343-K370 IonicContact OD1-NZ 2.99Å; D343-K370 PolarHBondContact OD1-NZ 3.47Å; D343-K370 VanDerWaalsContact OD1-NZ 3.08Å; D343-K370 IonicContact OD2-NZ 2.95Å; D343-K370 PolarHBondContact OD2-NZ 3.48Å; D343-Q371 PolarHBondContact OD2-NE2 3.05Å; D343-Q371 VanDerWaalsContact OD2-NE2 3.08Å
344I93.4Very high91.2Very high0 Ų055.9 Ų55.90%031%0.305CS..Hα-helixtrans-72.9-48.5-179.2-68.1169.3000110.3I261 I264 P265 L268 L336 H339 S341 P342 S346 L347 A348I261-I344 HydrophobicContact CG2-CD1 4.03Å; I264-I344 HydrophobicContact CB-CD1 3.8Å; I264-I344 HydrophobicContact CB-CG1 4.25Å; I264-I344 HydrophobicContact CD1-CD1 3.96Å; I264-I344 HydrophobicContact CG1-CD1 4.46Å; I264-I344 HydrophobicContact CG2-CB 4.48Å; I264-I344 HydrophobicContact CG2-CD1 3.85Å; I264-I344 HydrophobicContact CG2-CG1 3.93Å; I264-I344 HydrophobicContact CG2-CG2 3.73Å; P265-I344 HydrophobicContact CG-CD1 4.41Å; P265-I344 HydrophobicContact CG-CG1 3.85Å; L268-I344 HydrophobicContact CD1-CG2 3.99Å; L336-I344 HydrophobicContact CB-CG2 4.33Å; L336-I344 HydrophobicContact CD2-CG2 4.34Å; H339-I344 HydrophobicContact CB-CB 4.45Å; H339-I344 HydrophobicContact CB-CG2 3.87Å; H339-I344 VanDerWaalsContact CE1-CD1 3.44Å; H339-I344 WeakPolarHBondContact CE1-CD1 3.41Å; S341-I344 PolarHBondContact O-N 3.17Å; P342-I344 VanDerWaalsContact C-N 3.31Å; P342-I344 PolarHBondContact O-N 3.28Å; I344-S346 VanDerWaalsContact C-N 3.29Å; I344-S346 PolarHBondContact O-N 2.64Å; I344-L347 PolarHBondContact O-N 3.07Å; I344-A348 WeakPolarHBondContact O-CB 3.15Å; I344-A348 PolarHBondContact O-N 3.08Å
345S94Very high90.6Very high33 Ų3352.5 Ų52.523%0.23130%0.298CS..Hα-helixtrans-56.8-43.9177.9173.70000111.5I337 S341 A348 Y349I337-S345 WeakPolarHBondContact O-CB 3.08Å; I337-S345 PolarHBondContact O-OG 3.33Å; S341-S345 PolarHBondContact O-N 3.37Å; S345-A348 PolarHBondContact O-N 3.31Å; S345-Y349 VanDerWaalsContact O-CB 3.31Å; S345-Y349 WeakPolarHBondContact O-CB 3.49Å; S345-Y349 PolarHBondContact O-N 3.3Å
346S92.2Very high89.5Confident60 Ų6055.9 Ų55.942%0.4232%0.315SS..Hα-helixtrans-64.9-43.8178-174.50000112.7P342 I344 Y349 K350P342-S346 VanDerWaalsContact O-CB 3.23Å; P342-S346 WeakPolarHBondContact O-CB 3.47Å; P342-S346 PolarHBondContact O-N 3.45Å; I344-S346 VanDerWaalsContact C-N 3.29Å; I344-S346 PolarHBondContact O-N 2.64Å; S346-Y349 PolarHBondContact O-N 3.46Å; S346-K350 WeakPolarHBondContact O-CG 3.36Å; S346-K350 PolarHBondContact O-N 3.34Å; S346-K350 VanDerWaalsContact O-N 3.07Å
347L91.8Very high88.4Confident22 Ų2260.9 Ų60.912%0.11535%0.346CS..Hα-helixtrans-64.8-45176.9-76.3172.6000111.9P265 L268 D343 I344 Y349 K350 I351 F360P265-L347 HydrophobicContact CB-CD1 3.94Å; L268-L347 HydrophobicContact CB-CB 4.36Å; L268-L347 HydrophobicContact CD1-CB 3.98Å; D343-L347 WeakPolarHBondContact O-CG 3.02Å; D343-L347 PolarHBondContact O-N 2.91Å; I344-L347 PolarHBondContact O-N 3.07Å; L347-Y349 VanDerWaalsContact C-N 3.34Å; L347-Y349 PolarHBondContact O-N 3.04Å; L347-K350 PolarHBondContact O-N 3.44Å; L347-I351 WeakPolarHBondContact O-CG1 3.36Å; L347-I351 PolarHBondContact O-N 3.2Å; L347-F360 HydrophobicContact CD2-CE1 4.02Å; L347-F360 HydrophobicContact CD2-CE2 4.15Å; L347-F360 HydrophobicContact CD2-CZ 3.57Å
348A93.9Very high87.1Confident0 Ų061.2 Ų61.20%035%0.348CS..Hα-helixtrans-60-44.6176.100000111.5L268 V333 L336 I337 I344 S345 K350 I351 C352L268-A348 HydrophobicContact CD1-CB 4.45Å; V333-A348 HydrophobicContact CG1-CB 4.24Å; L336-A348 HydrophobicContact CB-CB 3.88Å; I337-A348 HydrophobicContact CG1-CB 3.93Å; I344-A348 WeakPolarHBondContact O-CB 3.15Å; I344-A348 PolarHBondContact O-N 3.08Å; S345-A348 PolarHBondContact O-N 3.31Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.4Å; A348-I351 PolarHBondContact O-N 3.21Å; A348-C352 PolarHBondContact O-N 3.03Å
349Y92.2Very high85.8Confident131 Ų13162.5 Ų62.551%0.51434%0.342SS..Hα-helixtrans-59-43176.9-178.7-90000112.2I337 S345 S346 L347 C352 N353I337-Y349 HydrophobicContact CG2-CD2 4.41Å; S345-Y349 VanDerWaalsContact O-CB 3.31Å; S345-Y349 WeakPolarHBondContact O-CB 3.49Å; S345-Y349 PolarHBondContact O-N 3.3Å; S346-Y349 PolarHBondContact O-N 3.46Å; L347-Y349 VanDerWaalsContact C-N 3.34Å; L347-Y349 PolarHBondContact O-N 3.04Å; Y349-C352 PolarHBondContact O-N 2.61Å; Y349-N353 WeakPolarHBondContact CD2-ND2 3.33Å; Y349-N353 HydrophobicContact CE1-CB 4.24Å; Y349-N353 VanDerWaalsContact CE2-ND2 3.25Å; Y349-N353 WeakPolarHBondContact CE2-ND2 3.32Å; Y349-N353 WeakPolarHBondContact O-CB 3.49Å; Y349-N353 PolarHBondContact O-N 3.02Å; Y349-N353 PolarHBondContact O-ND2 3.4Å
350K90.3Very high84.4Confident66 Ų6663.1 Ų63.129%0.28734%0.344SS..Hα-helixtrans-65.3-36.7176.8-74-179.8179.8-165.10113.2S346 L347 A348 N353 F360S346-K350 WeakPolarHBondContact O-CG 3.36Å; S346-K350 PolarHBondContact O-N 3.34Å; S346-K350 VanDerWaalsContact O-N 3.07Å; L347-K350 PolarHBondContact O-N 3.44Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.4Å; K350-N353 CarbonylContact O-C 3.29Å; K350-N353 VanDerWaalsContact O-C 3.24Å; K350-N353 VanDerWaalsContact O-O 3.11Å; K350-F360 HydrophobicContact CD-CE2 4.08Å
351I91.2Very high83.3Confident4 Ų461.7 Ų61.72%0.02135%0.348CS..Hα-helixtrans-65.2-46.1175.7-67.3161.7000109.8L268 I271 F272 L275 I285 V333 L347 A348 N353L268-I351 HydrophobicContact CB-CD1 3.96Å; L268-I351 HydrophobicContact CD2-CD1 3.89Å; L268-I351 HydrophobicContact CG-CD1 4.45Å; L268-I351 WeakPolarHBondContact O-CD1 3.49Å; I271-I351 HydrophobicContact CG2-CD1 4.34Å; I271-I351 HydrophobicContact CG2-CG2 4.26Å; F272-I351 HydrophobicContact CB-CD1 4.35Å; F272-I351 HydrophobicContact CB-CG1 3.97Å; F272-I351 HydrophobicContact CD2-CG1 4.04Å; L275-I351 HydrophobicContact CD1-CG2 3.66Å; I285-I351 HydrophobicContact CD1-CG2 4.33Å; I285-I351 WeakPolarHBondContact CD1-O 3.23Å; V333-I351 HydrophobicContact CG1-CB 3.97Å; V333-I351 HydrophobicContact CG1-CD1 4.12Å; V333-I351 HydrophobicContact CG1-CG2 3.83Å; L347-I351 WeakPolarHBondContact O-CG1 3.36Å; L347-I351 PolarHBondContact O-N 3.2Å; A348-I351 PolarHBondContact O-N 3.21Å; I351-N353 VanDerWaalsContact C-N 3.34Å; I351-N353 PolarHBondContact O-N 3.03Å
352C89.5Confident82.6Confident20 Ų2062.7 Ų62.714%0.13536%0.355CS..Hα-helixtrans-70.7-28.5179.7-67.50000113.5I285 I337 A348 Y349 P354I285-C352 WeakPolarHBondContact CG2-O 3.35Å; I337-C352 HydrophobicContact CD1-CB 4Å; A348-C352 PolarHBondContact O-N 3.03Å; Y349-C352 PolarHBondContact O-N 2.61Å; C352-P354 VanDerWaalsContact C-CD 3.46Å; C352-P354 VanDerWaalsContact O-CD 3.26Å; C352-P354 WeakPolarHBondContact O-CD 3.38Å
353N88.2Confident82.5Confident71 Ų7160.1 Ų60.138%0.3834%0.339SS..SBendtrans-117.376.9177.7-57.3-75.8000110Y349 K350 I351 D355Y349-N353 WeakPolarHBondContact CD2-ND2 3.33Å; Y349-N353 HydrophobicContact CE1-CB 4.24Å; Y349-N353 VanDerWaalsContact CE2-ND2 3.25Å; Y349-N353 WeakPolarHBondContact CE2-ND2 3.32Å; Y349-N353 WeakPolarHBondContact O-CB 3.49Å; Y349-N353 PolarHBondContact O-N 3.02Å; Y349-N353 PolarHBondContact O-ND2 3.4Å; K350-N353 CarbonylContact O-C 3.29Å; K350-N353 VanDerWaalsContact O-C 3.24Å; K350-N353 VanDerWaalsContact O-O 3.11Å; I351-N353 VanDerWaalsContact C-N 3.34Å; I351-N353 PolarHBondContact O-N 3.03Å; N353-D355 PolarHBondContact O-N 3.5Å
354P82.5Confident82.3Confident44 Ų4457.8 Ų57.829%0.28633%0.327SS..  trans-72.4113.5-174.228.1-34.7000111.6C352C352-P354 VanDerWaalsContact C-CD 3.46Å; C352-P354 VanDerWaalsContact O-CD 3.26Å; C352-P354 WeakPolarHBondContact O-CD 3.38Å
355D79.5Confident82Confident95 Ų9559.3 Ų59.351%0.50834%0.34SS..  trans-83.8134.8170.9-72.2-31.7000111N353 T357 D358N353-D355 PolarHBondContact O-N 3.5Å; D355-T357 PolarHBondContact O-N 3.08Å; D355-D358 HydrophobicContact CB-CB 4.46Å; D355-D358 PolarHBondContact O-N 2.66Å
356P69.8Low81.9Confident125 Ų12562.2 Ų62.281%0.81235%0.353SS*.THydrogen-bonded Turntrans-68.4-18.4-179.427.1-33.6000113.4
357T71.2Confident81.7Confident115 Ų11560.2 Ų60.271%0.70634%0.337SS*.THydrogen-bonded Turntrans-91-6.6-177.947.40000114.1D355 T359D355-T357 PolarHBondContact O-N 3.08Å; T357-T359 PolarHBondContact O-N 2.96Å
358D66.1Low81.6Confident49 Ų4959.3 Ų59.326%0.26233%0.332SS..  trans-76.898.5-172.9-958.8000112.2D355 F360D355-D358 HydrophobicContact CB-CB 4.46Å; D355-D358 PolarHBondContact O-N 2.66Å; D358-F360 PolarHBondContact O-N 2.68Å
359T62.9Low81.4Confident101 Ų10163.3 Ų63.362%0.6235%0.354SS*.  trans-87.280.3161.634.60000109.7T357 N361T357-T359 PolarHBondContact O-N 2.96Å; T359-N361 PolarHBondContact O-N 2.72Å; T359-N361 VanDerWaalsContact O-N 3.08Å
360F64.5Low81.3Confident54 Ų5462.6 Ų62.624%0.23735%0.353CS..  trans-65.6109.3163.1-131.5-94.2000108.1L269 F272 L347 K350 D358 S362L269-F360 HydrophobicContact CD1-CD1 3.78Å; L269-F360 HydrophobicContact CD1-CE1 4.28Å; F272-F360 HydrophobicContact CD1-CB 4.1Å; F272-F360 HydrophobicContact CE1-CB 3.43Å; F272-F360 VanDerWaalsContact CE1-CB 3.43Å; F272-F360 HydrophobicContact CE1-CG 4.27Å; F272-F360 HydrophobicContact CZ-CB 4.03Å; L347-F360 HydrophobicContact CD2-CE1 4.02Å; L347-F360 HydrophobicContact CD2-CE2 4.15Å; L347-F360 HydrophobicContact CD2-CZ 3.57Å; K350-F360 HydrophobicContact CD-CE2 4.08Å; D358-F360 PolarHBondContact O-N 2.68Å; F360-S362 WeakPolarHBondContact CD1-OG 3.44Å; F360-S362 WeakPolarHBondContact CE1-OG 3.46Å
361N66.5Low81.2Confident137 Ų13759.9 Ų59.973%0.73334%0.341SS*.  trans-103.98.7-176.7-71.1-15000112.4T359T359-N361 PolarHBondContact O-N 2.72Å; T359-N361 VanDerWaalsContact O-N 3.08Å
362S75.9Confident81.1Confident35 Ų3564.1 Ų64.125%0.24536%0.36CS..  trans-77.6135.1177.562.50000110.6L269 F360L269-S362 WeakPolarHBondContact CD2-O 3.43Å; F360-S362 WeakPolarHBondContact CD1-OG 3.44Å; F360-S362 WeakPolarHBondContact CE1-OG 3.46Å
363S86.5Confident81.2Confident48 Ų4869.5 Ų69.534%0.33638%0.381SS..  trans-76.4157.6166.573.60000111A365 D366 I367S363-A365 PolarHBondContact O-N 2.89Å; S363-D366 WeakPolarHBondContact CB-OD2 3.34Å; S363-D366 PolarHBondContact N-OD2 3.31Å; S363-D366 PolarHBondContact O-N 2.98Å; S363-D366 PolarHBondContact OG-N 3.44Å; S363-D366 VanDerWaalsContact OG-N 3.11Å; S363-D366 PolarHBondContact OG-OD2 3.44Å; S363-I367 PolarHBondContact O-N 3.38Å
364V86.3Confident81.3Confident3 Ų368.9 Ų68.92%0.01838%0.382CS..Hα-helixtrans-58-34.9171.8175.10000111.3M229 D232 A266 L269 I270 I367 L368M229-V364 HydrophobicContact CG-CG1 4.11Å; D232-V364 HydrophobicContact CB-CG2 3.88Å; D232-V364 WeakPolarHBondContact OD2-CG2 3.49Å; A266-V364 HydrophobicContact CB-CG1 3.92Å; L269-V364 HydrophobicContact CD2-CB 4.36Å; L269-V364 HydrophobicContact CD2-CG2 3.71Å; L269-V364 HydrophobicContact CG-CG2 4.23Å; I270-V364 HydrophobicContact CG1-CG2 3.88Å; V364-I367 PolarHBondContact O-N 3.43Å; V364-L368 HydrophobicContact CG1-CD1 3.93Å; V364-L368 HydrophobicContact CG1-CG 4.44Å; V364-L368 WeakPolarHBondContact O-CG 3.25Å; V364-L368 PolarHBondContact O-N 3.08Å
365A88Confident81.6Confident33 Ų3370.2 Ų70.227%0.27339%0.386SS..Hα-helixtrans-62.2-45.9176.200000112.5M229 S363 I367 L368 D369M229-A365 HydrophobicContact CE-CB 3.96Å; M229-A365 HydrophobicContact SD-CB 3.93Å; S363-A365 PolarHBondContact O-N 2.89Å; A365-I367 VanDerWaalsContact C-N 3.32Å; A365-I367 PolarHBondContact O-N 3.3Å; A365-L368 PolarHBondContact O-N 3.18Å; A365-D369 PolarHBondContact O-N 3.35Å
366D90Very high82.1Confident94 Ų9472 Ų7250%0.50339%0.389SS..Hα-helixtrans-62.2-40.8-179.9-60.3-43.7000111.9S363 D369 K370S363-D366 WeakPolarHBondContact CB-OD2 3.34Å; S363-D366 PolarHBondContact N-OD2 3.31Å; S363-D366 PolarHBondContact O-N 2.98Å; S363-D366 PolarHBondContact OG-N 3.44Å; S363-D366 VanDerWaalsContact OG-N 3.11Å; S363-D366 PolarHBondContact OG-OD2 3.44Å; D366-D369 PolarHBondContact O-N 3.12Å; D366-K370 WeakPolarHBondContact O-CB 3.36Å; D366-K370 PolarHBondContact O-N 2.88Å
367I89.1Confident83.2Confident17 Ų1771.7 Ų71.79%0.08738%0.377CS..Hα-helixtrans-64.5-46.7176.9-68-169.5000110.7P265 L269 S363 V364 A365 D369 K370 Q371P265-I367 HydrophobicContact CB-CG2 3.43Å; P265-I367 VanDerWaalsContact CB-CG2 3.43Å; L269-I367 HydrophobicContact CB-CD1 3.8Å; L269-I367 HydrophobicContact CD1-CD1 4.31Å; L269-I367 HydrophobicContact CD2-CD1 3.43Å; L269-I367 VanDerWaalsContact CD2-CD1 3.43Å; L269-I367 HydrophobicContact CD2-CG1 4.14Å; L269-I367 HydrophobicContact CG-CD1 4.02Å; S363-I367 PolarHBondContact O-N 3.38Å; V364-I367 PolarHBondContact O-N 3.43Å; A365-I367 VanDerWaalsContact C-N 3.32Å; A365-I367 PolarHBondContact O-N 3.3Å; I367-D369 VanDerWaalsContact C-N 3.29Å; I367-D369 PolarHBondContact O-N 3.26Å; I367-K370 PolarHBondContact O-N 3.49Å; I367-Q371 WeakPolarHBondContact O-CG 3.43Å; I367-Q371 PolarHBondContact O-N 3.43Å
368L89.2Confident84.1Confident3 Ų368.8 Ų68.82%0.01636%0.364CS..Hα-helixtrans-62-38.6179.2-74.8171.3000111.8K225 M229 L263 A266 V364 A365 Q371 K372K225-L368 HydrophobicContact CB-CD1 4.09Å; K225-L368 HydrophobicContact CG-CD1 4.16Å; K225-L368 HydrophobicContact CG-CD2 4.27Å; M229-L368 HydrophobicContact CE-CD1 3.58Å; M229-L368 HydrophobicContact CG-CD1 4.32Å; L263-L368 HydrophobicContact CD2-CD2 3.69Å; A266-L368 HydrophobicContact CB-CD1 4.28Å; A266-L368 HydrophobicContact CB-CD2 3.64Å; A266-L368 HydrophobicContact CB-CG 3.82Å; V364-L368 HydrophobicContact CG1-CD1 3.93Å; V364-L368 HydrophobicContact CG1-CG 4.44Å; V364-L368 WeakPolarHBondContact O-CG 3.25Å; V364-L368 PolarHBondContact O-N 3.08Å; A365-L368 PolarHBondContact O-N 3.18Å; L368-Q371 PolarHBondContact O-N 2.92Å; L368-K372 WeakPolarHBondContact O-CB 3.16Å; L368-K372 PolarHBondContact O-N 3.23Å
369D89.6Confident85.3Confident85 Ų8569.6 Ų69.646%0.45537%0.371SS..Hα-helixtrans-70.7-38.5176-86.9-14000112.7A365 D366 I367 K372 K373A365-D369 PolarHBondContact O-N 3.35Å; D366-D369 PolarHBondContact O-N 3.12Å; I367-D369 VanDerWaalsContact C-N 3.29Å; I367-D369 PolarHBondContact O-N 3.26Å; D369-K372 PolarHBondContact O-N 2.91Å; D369-K373 WeakPolarHBondContact O-CG 3.44Å; D369-K373 PolarHBondContact O-N 3.12Å
370K89.7Confident86.8Confident116 Ų11671.7 Ų71.750%0.50437%0.368SS..Hα-helixtrans-59-47.5171.7-173.9-169.4176.1-154.60110.8D343 D366 I367 K372 K373 S374D343-K370 IonicContact OD1-NZ 2.99Å; D343-K370 PolarHBondContact OD1-NZ 3.47Å; D343-K370 VanDerWaalsContact OD1-NZ 3.08Å; D343-K370 IonicContact OD2-NZ 2.95Å; D343-K370 PolarHBondContact OD2-NZ 3.48Å; D366-K370 WeakPolarHBondContact O-CB 3.36Å; D366-K370 PolarHBondContact O-N 2.88Å; I367-K370 PolarHBondContact O-N 3.49Å; K370-K372 PolarHBondContact O-N 3.47Å; K370-K373 PolarHBondContact O-N 2.89Å; K370-S374 PolarHBondContact O-N 3.02Å
371Q89.5Confident88.1Confident8 Ų872 Ų724%0.03738%0.377CS..Hα-helixtrans-63.5-41.4178.1-68.7-54.3-41.100111.8P265 D343 I367 L368 K373 S374 I375P265-Q371 HydrophobicContact CB-CG 4.35Å; P265-Q371 HydrophobicContact CG-CG 3.96Å; D343-Q371 PolarHBondContact OD2-NE2 3.05Å; D343-Q371 VanDerWaalsContact OD2-NE2 3.08Å; I367-Q371 WeakPolarHBondContact O-CG 3.43Å; I367-Q371 PolarHBondContact O-N 3.43Å; L368-Q371 PolarHBondContact O-N 2.92Å; Q371-K373 VanDerWaalsContact C-N 3.32Å; Q371-K373 PolarHBondContact O-N 2.94Å; Q371-S374 PolarHBondContact O-N 3.24Å; Q371-I375 VanDerWaalsContact O-CG1 3.31Å; Q371-I375 WeakPolarHBondContact O-CG1 3.18Å; Q371-I375 PolarHBondContact O-N 3.22Å
372K89.3Confident89.3Confident94 Ų9469.5 Ų69.541%0.40937%0.366SS..Hα-helixtrans-60.6-39.9175.8-173.1-179.9-178.5-178.90112.2L368 D369 K370 K376L368-K372 WeakPolarHBondContact O-CB 3.16Å; L368-K372 PolarHBondContact O-N 3.23Å; D369-K372 PolarHBondContact O-N 2.91Å; K370-K372 PolarHBondContact O-N 3.47Å; K372-K376 VanDerWaalsContact O-CG 3.3Å; K372-K376 WeakPolarHBondContact O-CG 3.33Å; K372-K376 PolarHBondContact O-N 3.29Å
373K91Very high90.1Very high133 Ų13374.7 Ų74.758%0.57838%0.384SS*.Hα-helixtrans-67.3-47.8175.7-71.1172.9-175.21750111.3D369 K370 Q371 I375 K376 E377D369-K373 WeakPolarHBondContact O-CG 3.44Å; D369-K373 PolarHBondContact O-N 3.12Å; K370-K373 PolarHBondContact O-N 2.89Å; Q371-K373 VanDerWaalsContact C-N 3.32Å; Q371-K373 PolarHBondContact O-N 2.94Å; K373-I375 PolarHBondContact O-N 3.36Å; K373-K376 WeakPolarHBondContact O-CB 3.21Å; K373-K376 PolarHBondContact O-N 3.39Å; K373-K376 VanDerWaalsContact O-N 3.13Å; K373-E377 WeakPolarHBondContact O-CG 3.28Å; K373-E377 PolarHBondContact O-N 2.99Å
374S89.7Confident90.4Very high57 Ų5776.9 Ų76.940%0.39939%0.389SS..Hα-helixtrans-55.8-46.7177.4-179.40000112.4K370 Q371 K376 E377 A378K370-S374 PolarHBondContact O-N 3.02Å; Q371-S374 PolarHBondContact O-N 3.24Å; S374-K376 PolarHBondContact O-N 3.19Å; S374-E377 PolarHBondContact O-N 3.42Å; S374-A378 WeakPolarHBondContact O-CB 2.94Å; S374-A378 PolarHBondContact O-N 3.06Å
375I88.7Confident90.5Very high72 Ų7279 Ų7937%0.36941%0.408SS..Hα-helixtrans-64.4-39.8178.2-67.8166.3000111.5S262 Q371 K373 T379S262-I375 VanDerWaalsContact CB-CD1 3.5Å; Q371-I375 VanDerWaalsContact O-CG1 3.31Å; Q371-I375 WeakPolarHBondContact O-CG1 3.18Å; Q371-I375 PolarHBondContact O-N 3.22Å; K373-I375 PolarHBondContact O-N 3.36Å; I375-T379 WeakPolarHBondContact O-CB 3.2Å; I375-T379 PolarHBondContact O-N 2.95Å; I375-T379 PolarHBondContact O-OG1 3.38Å
376K91.4Very high90.5Very high134 Ų13482.5 Ų82.558%0.58342%0.421SS*.Hα-helixtrans-63.5-43176.6-77.7177.8175.2-167.90111.8K372 K373 S374 T379 R380K372-K376 VanDerWaalsContact O-CG 3.3Å; K372-K376 WeakPolarHBondContact O-CG 3.33Å; K372-K376 PolarHBondContact O-N 3.29Å; K373-K376 WeakPolarHBondContact O-CB 3.21Å; K373-K376 PolarHBondContact O-N 3.39Å; K373-K376 VanDerWaalsContact O-N 3.13Å; S374-K376 PolarHBondContact O-N 3.19Å; K376-T379 PolarHBondContact O-N 3.5Å; K376-R380 PolarHBondContact O-N 3Å
377E91.8Very high90.4Very high118 Ų11884.8 Ų84.855%0.55142%0.424SS*.Hα-helixtrans-64.6-47.8177.2-72.5169.6-168.600111.2K373 S374 T379 R380 S381K373-E377 WeakPolarHBondContact O-CG 3.28Å; K373-E377 PolarHBondContact O-N 2.99Å; S374-E377 PolarHBondContact O-N 3.42Å; E377-T379 VanDerWaalsContact C-N 3.33Å; E377-T379 PolarHBondContact O-N 3.07Å; E377-R380 WeakPolarHBondContact O-CB 3.41Å; E377-R380 PolarHBondContact O-N 3.25Å; E377-R380 VanDerWaalsContact O-N 3.13Å; E377-S381 PolarHBondContact O-N 3.17Å; E377-S381 PolarHBondContact O-OG 2.95Å
378A89.8Confident90.4Very high53 Ų5388.9 Ų88.944%0.43845%0.445SS..Hα-helixtrans-58.6-43.9175.500000111.9S374 R380 S381 V382S374-A378 WeakPolarHBondContact O-CB 2.94Å; S374-A378 PolarHBondContact O-N 3.06Å; A378-R380 VanDerWaalsContact C-N 3.3Å; A378-R380 PolarHBondContact O-N 3.21Å; A378-S381 PolarHBondContact O-N 3.22Å; A378-V382 VanDerWaalsContact O-CG2 3.28Å; A378-V382 WeakPolarHBondContact O-CG2 3.45Å; A378-V382 PolarHBondContact O-N 3.34Å
379T92Very high90.1Very high66 Ų6692.9 Ų92.941%0.40547%0.466SS..Hα-helixtrans-62-38.6177.3-55.80000111.6I375 K376 E377 K383I375-T379 WeakPolarHBondContact O-CB 3.2Å; I375-T379 PolarHBondContact O-N 2.95Å; I375-T379 PolarHBondContact O-OG1 3.38Å; K376-T379 PolarHBondContact O-N 3.5Å; E377-T379 VanDerWaalsContact C-N 3.33Å; E377-T379 PolarHBondContact O-N 3.07Å; T379-K383 WeakPolarHBondContact O-CG 3.27Å; T379-K383 PolarHBondContact O-N 2.96Å; T379-K383 VanDerWaalsContact O-N 3.1Å
380R93.7Very high89.8Confident145 Ų14593 Ų9355%0.54747%0.474SS..Hα-helixtrans-65.3-49.3176.1-176.917768.396.7-6.1111.1K376 E377 A378 V382 K383 E384K376-R380 PolarHBondContact O-N 3Å; E377-R380 WeakPolarHBondContact O-CB 3.41Å; E377-R380 PolarHBondContact O-N 3.25Å; E377-R380 VanDerWaalsContact O-N 3.13Å; A378-R380 VanDerWaalsContact C-N 3.3Å; A378-R380 PolarHBondContact O-N 3.21Å; R380-V382 VanDerWaalsContact C-N 3.33Å; R380-V382 PolarHBondContact O-N 2.61Å; R380-K383 PolarHBondContact O-N 3.15Å; R380-E384 WeakPolarHBondContact CG-OE1 3.31Å; R380-E384 IonicContact CZ-OE1 3.65Å; R380-E384 IonicContact NH1-OE1 3.5Å; R380-E384 PolarHBondContact NH1-OE1 3.21Å; R380-E384 IonicContact NH1-OE2 3.04Å; R380-E384 WeakPolarHBondContact O-CG 3.48Å; R380-E384 PolarHBondContact O-N 3.49Å
381S92.7Very high89.5Confident61 Ų6193 Ų9343%0.42748%0.475SS..Hα-helixtrans-61.5-39.4178.7-64.10000112.7E377 A378 E384 A385E377-S381 PolarHBondContact O-N 3.17Å; E377-S381 PolarHBondContact O-OG 2.95Å; A378-S381 PolarHBondContact O-N 3.22Å; S381-E384 PolarHBondContact O-N 3.03Å; S381-A385 WeakPolarHBondContact O-CB 3.37Å; S381-A385 PolarHBondContact O-N 3.3Å
382V92.3Very high89.2Confident85 Ų8595.2 Ų95.252%0.51549%0.49SS..Hα-helixtrans-64.1-42.3174.9171.40000111.2A378 R380 A385 L386A378-V382 VanDerWaalsContact O-CG2 3.28Å; A378-V382 WeakPolarHBondContact O-CG2 3.45Å; A378-V382 PolarHBondContact O-N 3.34Å; R380-V382 VanDerWaalsContact C-N 3.33Å; R380-V382 PolarHBondContact O-N 2.61Å; V382-A385 PolarHBondContact O-N 3.1Å; V382-L386 HydrophobicContact CG1-CD1 3.88Å; V382-L386 HydrophobicContact CG1-CG 4.27Å; V382-L386 WeakPolarHBondContact O-CB 3.05Å; V382-L386 VanDerWaalsContact O-CG 3.3Å; V382-L386 WeakPolarHBondContact O-CG 3.26Å; V382-L386 PolarHBondContact O-N 3.1Å
383K92.4Very high88.5Confident143 Ų14398.8 Ų98.862%0.62251%0.513SS*.Hα-helixtrans-63.6-41.5176.2-75.7178.8179.2-174.30112.4T379 R380 L386 Y387T379-K383 WeakPolarHBondContact O-CG 3.27Å; T379-K383 PolarHBondContact O-N 2.96Å; T379-K383 VanDerWaalsContact O-N 3.1Å; R380-K383 PolarHBondContact O-N 3.15Å; K383-L386 PolarHBondContact O-N 2.97Å; K383-Y387 VanDerWaalsContact O-CB 3.29Å; K383-Y387 WeakPolarHBondContact O-CB 3.31Å; K383-Y387 PolarHBondContact O-N 3.32Å
384E91.4Very high87.5Confident94 Ų9497.9 Ų97.944%0.43951%0.514SS..Hα-helixtrans-61.9-45.5175-71.7168.3-17300110.9R380 S381 Y387 L388R380-E384 WeakPolarHBondContact CG-OE1 3.31Å; R380-E384 IonicContact CZ-OE1 3.65Å; R380-E384 IonicContact NH1-OE1 3.5Å; R380-E384 PolarHBondContact NH1-OE1 3.21Å; R380-E384 IonicContact NH1-OE2 3.04Å; R380-E384 WeakPolarHBondContact O-CG 3.48Å; R380-E384 PolarHBondContact O-N 3.49Å; S381-E384 PolarHBondContact O-N 3.03Å; E384-Y387 PolarHBondContact O-N 3.12Å; E384-L388 WeakPolarHBondContact O-CG 3.15Å; E384-L388 PolarHBondContact O-N 2.88Å
385A89.1Confident86.6Confident49 Ų49101.1 Ų101.141%0.40553%0.531SS..Hα-helixtrans-63.5-44.3176.600000112.6S381 V382 Y387 L388 L389S381-A385 WeakPolarHBondContact O-CB 3.37Å; S381-A385 PolarHBondContact O-N 3.3Å; V382-A385 PolarHBondContact O-N 3.1Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 3.24Å; A385-L388 PolarHBondContact O-N 3.21Å; A385-L389 WeakPolarHBondContact O-CB 3.43Å; A385-L389 VanDerWaalsContact O-CG 3.29Å; A385-L389 WeakPolarHBondContact O-CG 3.37Å; A385-L389 PolarHBondContact O-N 3.26Å
386L87.9Confident85.8Confident106 Ų106105.3 Ų105.356%0.55555%0.551SS**Hα-helixtrans-64.5-35.8176.3-73.5174.3000112.3V382 K383 L389 S390V382-L386 HydrophobicContact CG1-CD1 3.88Å; V382-L386 HydrophobicContact CG1-CG 4.27Å; V382-L386 WeakPolarHBondContact O-CB 3.05Å; V382-L386 VanDerWaalsContact O-CG 3.3Å; V382-L386 WeakPolarHBondContact O-CG 3.26Å; V382-L386 PolarHBondContact O-N 3.1Å; K383-L386 PolarHBondContact O-N 2.97Å; L386-L389 HydrophobicContact CD2-CD1 4.48Å; L386-L389 PolarHBondContact O-N 2.61Å; L386-S390 PolarHBondContact O-N 3.44Å
387Y88.4Confident84.9Confident141 Ų141103.7 Ų103.755%0.55355%0.554SS**Hα-helixtrans-66.5-43.6174.2176.9-99.6000111.9K383 E384 A385 L389 S390 Q391K383-Y387 VanDerWaalsContact O-CB 3.29Å; K383-Y387 WeakPolarHBondContact O-CB 3.31Å; K383-Y387 PolarHBondContact O-N 3.32Å; E384-Y387 PolarHBondContact O-N 3.12Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 3.24Å; Y387-L389 VanDerWaalsContact C-N 3.32Å; Y387-L389 PolarHBondContact O-N 3.35Å; Y387-S390 PolarHBondContact O-N 3.14Å; Y387-S390 PolarHBondContact O-OG 3.38Å; Y387-Q391 HydrophobicContact CE1-CG 4.28Å; Y387-Q391 WeakPolarHBondContact O-CG 3.26Å; Y387-Q391 PolarHBondContact O-N 3.42Å; Y387-Q391 VanDerWaalsContact O-N 3.12Å; Y387-Q391 PolarHBondContact OH-NE2 2.81Å
388L87.9Confident84.1Confident104 Ų104107.1 Ų107.155%0.54557%0.57SS.*Hα-helixtrans-62-42.7174-69.8173.2000111.1E384 A385 S390 Q391 T392E384-L388 WeakPolarHBondContact O-CG 3.15Å; E384-L388 PolarHBondContact O-N 2.88Å; A385-L388 PolarHBondContact O-N 3.21Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-S390 PolarHBondContact O-N 2.77Å; L388-Q391 PolarHBondContact O-N 2.71Å; L388-T392 WeakPolarHBondContact O-CG2 3.38Å; L388-T392 PolarHBondContact O-N 2.68Å; L388-T392 VanDerWaalsContact O-N 3.1Å; L388-T392 PolarHBondContact O-OG1 2.97Å
389L83.3Confident83.4Confident87 Ų87112.1 Ų112.146%0.45559%0.588SS.*Hα-helixtrans-63.1-35.7176.6-74.6169.7000112.9A385 L386 Y387 T392A385-L389 WeakPolarHBondContact O-CB 3.43Å; A385-L389 VanDerWaalsContact O-CG 3.29Å; A385-L389 WeakPolarHBondContact O-CG 3.37Å; A385-L389 PolarHBondContact O-N 3.26Å; L386-L389 HydrophobicContact CD2-CD1 4.48Å; L386-L389 PolarHBondContact O-N 2.61Å; Y387-L389 VanDerWaalsContact C-N 3.32Å; Y387-L389 PolarHBondContact O-N 3.35Å; L389-T392 WeakPolarHBondContact CA-OG1 3.4Å; L389-T392 PolarHBondContact O-N 3.21Å; L389-T392 PolarHBondContact O-OG1 3.41Å
390S84Confident82.7Confident87 Ų87113.9 Ų113.961%0.60860%0.601SS**Hα-helixtrans-74.1-25.5176.371.50000113.3L386 Y387 L388L386-S390 PolarHBondContact O-N 3.44Å; Y387-S390 PolarHBondContact O-N 3.14Å; Y387-S390 PolarHBondContact O-OG 3.38Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-S390 PolarHBondContact O-N 2.77Å
391Q84.1Confident81.8Confident115 Ų115112.1 Ų112.154%0.53761%0.608SS.*Hα-helixtrans-73.7-31.5171.7-71.7-170.8-20.400112.4Y387 L388Y387-Q391 HydrophobicContact CE1-CG 4.28Å; Y387-Q391 WeakPolarHBondContact O-CG 3.26Å; Y387-Q391 PolarHBondContact O-N 3.42Å; Y387-Q391 VanDerWaalsContact O-N 3.12Å; Y387-Q391 PolarHBondContact OH-NE2 2.81Å; L388-Q391 PolarHBondContact O-N 2.71Å
392T83.3Confident80.9Confident56 Ų56115.8 Ų115.834%0.34462%0.622SS.*SBendtrans-82.4129.1174.261.10000109L388 L389 I394L388-T392 WeakPolarHBondContact O-CG2 3.38Å; L388-T392 PolarHBondContact O-N 2.68Å; L388-T392 VanDerWaalsContact O-N 3.1Å; L388-T392 PolarHBondContact O-OG1 2.97Å; L389-T392 WeakPolarHBondContact CA-OG1 3.4Å; L389-T392 PolarHBondContact O-N 3.21Å; L389-T392 PolarHBondContact O-OG1 3.41Å; T392-I394 HydrophobicContact CG2-CD1 4.01Å; T392-I394 PolarHBondContact O-N 2.88Å; T392-I394 WeakPolarHBondContact OG1-CD1 3.48Å
393N73.4Confident79.6Confident168 Ų168119 Ų11990%0.89864%0.637SS**  trans-68.431.1170.6-82.3-16.2000112.7T395N393-T395 PolarHBondContact O-N 3.4Å
394I70.6Confident78.6Confident115 Ų115115.5 Ų115.559%0.5964%0.642SS**  trans-79.4110.1-178.8-64.1167.6000107.5T392 M396T392-I394 HydrophobicContact CG2-CD1 4.01Å; T392-I394 PolarHBondContact O-N 2.88Å; T392-I394 WeakPolarHBondContact OG1-CD1 3.48Å; I394-M396 PolarHBondContact O-N 2.99Å
395T71.4Confident76.9Confident124 Ų124121.8 Ų121.876%0.76166%0.662SS**PPolyproline II helixtrans-62.7129.1162.648.40000108.5N393N393-T395 PolarHBondContact O-N 3.4Å
396M70.8Confident75.3Confident160 Ų160127.2 Ų127.279%0.78871%0.707SS**PPolyproline II helixtrans-48.6129.4166.4-97.2-80.7-15100108.1I394 E398I394-M396 PolarHBondContact O-N 2.99Å; M396-E398 PolarHBondContact O-N 2.77Å
397P73.6Confident74.7Confident100 Ų100128.3 Ų128.365%0.64971%0.714SS**PPolyproline II helixtrans-57.8138172.624.2-31.4000108.6L399P397-L399 PolarHBondContact O-N 2.79Å
398E74.1Confident74Confident190 Ų190127.6 Ų127.689%0.88872%0.723SS**  trans-56.5116170.9-70.9-173.8170.400107.8M396M396-E398 PolarHBondContact O-N 2.77Å
399L75.4Confident73.2Confident158 Ų158128.9 Ų128.983%0.82773%0.733SS**PPolyproline II helixtrans-63127.4172.3-72.1167.4000106.6P397P397-L399 PolarHBondContact O-N 2.79Å
400P77.4Confident72.6Confident104 Ų104131.4 Ų131.468%0.67575%0.749SS**PPolyproline II helixtrans-56.2145.2173.424-31.9000108.7L402P400-L402 PolarHBondContact O-N 3.18Å
401P74.1Confident71.9Confident107 Ų107134.2 Ų134.270%0.69576%0.758SS**PPolyproline II helixtrans-52.1134.117223.3-32000108.6D403P401-D403 PolarHBondContact O-N 2.8Å
402L73.2Confident71.1Confident138 Ų138135.5 Ų135.572%0.72377%0.772SS**  trans-66.689.3172.3-81.8144000107.7P400 G404 W405P400-L402 PolarHBondContact O-N 3.18Å; L402-G404 PolarHBondContact O-N 3.13Å; L402-G404 VanDerWaalsContact O-N 3.13Å; L402-W405 HydrophobicContact CB-CB 4.26Å; L402-W405 PolarHBondContact O-N 2.69Å
403D67Low70.2Confident152 Ų152141.1 Ų141.181%0.81380%0.803SS**THydrogen-bonded Turntrans-56.7118.1174.1-78.2-23.6000109P401P401-D403 PolarHBondContact O-N 2.8Å
404G69.5Low69.9Low71 Ų71139.1 Ų139.173%0.73280%0.796SS**THydrogen-bonded Turntrans102.17.9176.600000117.1L402L402-G404 PolarHBondContact O-N 3.13Å; L402-G404 VanDerWaalsContact O-N 3.13Å
405W57.2Low69.9Low226 Ų226141.1 Ų141.186%0.85681%0.813SS**  trans-111.612.3175.4-80.370.5000114.9L402L402-W405 HydrophobicContact CB-CB 4.26Å; L402-W405 PolarHBondContact O-N 2.69Å
406A55.1Low69.8Low163 Ų163142.6 Ų142.6100%1.34782%0.818SS**  trans-99.20163.100000108.9

Retrieved 406 of 406 residues in 208.2 ms (Link to these results)

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