A0A3Q0KTK7_SCHMA Loading...

UV radiation resistance-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KTK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 490 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
1M36.4Very low71.4Confident229 Ų22984.3 Ų84.3100%1.12844%0.441SS*.  01470-67.3180177.400108.5
2S32.1Very low73Confident104 Ų10489.6 Ų89.673%0.72745%0.451SS*.  trans-70.8137.8169.347.40000110.1V4S2-V4 PolarHBondContact O-N 3.49Å
3T51.3Low74.4Confident133 Ų13382.7 Ų82.782%0.81642%0.416SS*.  trans-72.594.917333.40000109I5T3-I5 WeakPolarHBondContact O-CG1 3.15Å; T3-I5 PolarHBondContact O-N 3.36Å
4V60.1Low75.6Confident97 Ų9776.8 Ų76.859%0.58839%0.386SS*.  trans-64.2102.3-178.2-179.20000109.6S2 L6S2-V4 PolarHBondContact O-N 3.49Å; V4-L6 HydrophobicContact CG1-CD2 4.33Å; V4-L6 PolarHBondContact O-N 3.44Å
5I77.4Confident76.5Confident108 Ų10872 Ų7255%0.55436%0.362SS*.  trans-69.2101.4-178.7-60.3-178.4000109.2T3 R7 H10T3-I5 WeakPolarHBondContact O-CG1 3.15Å; T3-I5 PolarHBondContact O-N 3.36Å; I5-R7 VanDerWaalsContact CG2-CZ 3.4Å; I5-H10 PolarHBondContact O-CE1 3.47Å; I5-H10 VanDerWaalsContact O-CE1 3.25Å
6L83.1Confident77.2Confident16 Ų1667.5 Ų67.58%0.08434%0.339CS..  trans-65.9146.8-179.4-63.4-177.5000112.8V4 F101 L104 M128 Y133V4-L6 HydrophobicContact CG1-CD2 4.33Å; V4-L6 PolarHBondContact O-N 3.44Å; L6-F101 HydrophobicContact CB-CB 3.82Å; L6-F101 WeakPolarHBondContact CB-O 3.3Å; L6-L104 HydrophobicContact CD1-CB 4.44Å; L6-L104 HydrophobicContact CD1-CD1 4.43Å; L6-M128 HydrophobicContact CB-CE 4.09Å; L6-M128 HydrophobicContact CD1-CB 4.35Å; L6-M128 HydrophobicContact CD1-CG 4.26Å; L6-M128 HydrophobicContact CD2-CB 3.91Å; L6-Y133 HydrophobicContact CD1-CD1 4.08Å; L6-Y133 HydrophobicContact CD1-CD2 4.45Å; L6-Y133 HydrophobicContact CD1-CE1 3.9Å; L6-Y133 HydrophobicContact CD1-CE2 4.3Å; L6-Y133 HydrophobicContact CD1-CG 4.37Å
7R87.5Confident77.6Confident42 Ų4267 Ų6716%0.15833%0.333CS..  trans-157.6159.2-170.6-70.9-58.9-176.2-96.4-4.4109.2I5 R9 H10 S75 S76 M128I5-R7 VanDerWaalsContact CG2-CZ 3.4Å; R7-R9 VanDerWaalsContact C-N 3.26Å; R7-R9 HydrophobicContact CB-CG 4.01Å; R7-R9 PolarHBondContact O-N 3.14Å; R7-H10 PolarHBondContact N-ND1 3.49Å; R7-H10 WeakPolarHBondContact O-CB 3.36Å; R7-H10 PolarHBondContact O-N 2.72Å; R7-S75 VanDerWaalsContact CD-O 3.25Å; R7-S75 WeakPolarHBondContact CD-O 3.27Å; R7-S75 PolarHBondContact NE-O 3.01Å; R7-S76 WeakPolarHBondContact CD-O 3.41Å; R7-M128 WeakPolarHBondContact O-CE 3.05Å
8L88.2Confident77.8Confident0 Ų067 Ų670%033%0.334CS..G310 helixtrans-52.6-43.2-179.718059.9000112.3H10 L11 L36 Y47 I66 L69 Y73 V79 F101L8-H10 PolarHBondContact O-N 3.39Å; L8-L11 HydrophobicContact CD1-CB 4.37Å; L8-L11 HydrophobicContact CD1-CD2 3.95Å; L8-L11 VanDerWaalsContact O-CB 3.24Å; L8-L11 WeakPolarHBondContact O-CB 3.49Å; L8-L11 PolarHBondContact O-N 3.23Å; L8-L36 HydrophobicContact CD1-CD1 3.8Å; L8-L36 HydrophobicContact CD2-CD1 4.23Å; L8-Y47 HydrophobicContact CD2-CE2 3.88Å; L8-I66 HydrophobicContact CD1-CD1 4.11Å; L8-I66 HydrophobicContact CG-CD1 4.06Å; L8-I66 WeakPolarHBondContact O-CD1 3.18Å; L8-L69 HydrophobicContact CD2-CD1 3.93Å; L8-Y73 WeakPolarHBondContact CD2-O 3.45Å; L8-V79 HydrophobicContact CB-CG2 4.35Å; L8-V79 HydrophobicContact CD1-CG2 4.44Å; L8-V79 HydrophobicContact CD2-CG2 4.29Å; L8-F101 HydrophobicContact CB-CE2 3.87Å; L8-F101 HydrophobicContact CB-CZ 4.09Å; L8-F101 HydrophobicContact CD1-CZ 4.11Å; L8-F101 VanDerWaalsContact N-CE2 3.28Å
9R87.9Confident78.1Confident145 Ų14563.8 Ų63.855%0.54732%0.318SS..G310 helixtrans-55.9-11.2176.672.4-175.3-171-145.8-0.4116.7R7 L74R7-R9 VanDerWaalsContact C-N 3.26Å; R7-R9 HydrophobicContact CB-CG 4.01Å; R7-R9 PolarHBondContact O-N 3.14Å; R9-L74 HydrophobicContact CB-CB 4.01Å; R9-L74 HydrophobicContact CB-CD2 3.99Å; R9-L74 WeakPolarHBondContact CB-O 3.43Å; R9-L74 WeakPolarHBondContact CG-O 3.26Å; R9-L74 PolarHBondContact N-O 2.91Å
10H90.1Very high78.1Confident46 Ų4662.9 Ų62.921%0.21332%0.318CS..G310 helixtrans-95.6-15.2176.2-53.9150.5000112.3I5 R7 L8 R12 M128 G129I5-H10 PolarHBondContact O-CE1 3.47Å; I5-H10 VanDerWaalsContact O-CE1 3.25Å; R7-H10 PolarHBondContact N-ND1 3.49Å; R7-H10 WeakPolarHBondContact O-CB 3.36Å; R7-H10 PolarHBondContact O-N 2.72Å; L8-H10 PolarHBondContact O-N 3.39Å; H10-R12 PolarHBondContact O-N 3.37Å; H10-M128 HydrophobicContact CB-CE 4.36Å; H10-M128 CarbonylContact O-C 3.56Å; H10-M128 WeakPolarHBondContact O-CA 3.3Å; H10-G129 PolarHBondContact O-N 3.14Å
11L90.9Very high77.8Confident7 Ų761.2 Ų61.24%0.03731%0.311CS..EExtended strand (participates in β ladder)trans-60.1134.9176-173.768.4000110L8 A13 V14 I64 I66 F81 F126 M128L8-L11 HydrophobicContact CD1-CB 4.37Å; L8-L11 HydrophobicContact CD1-CD2 3.95Å; L8-L11 VanDerWaalsContact O-CB 3.24Å; L8-L11 WeakPolarHBondContact O-CB 3.49Å; L8-L11 PolarHBondContact O-N 3.23Å; L11-A13 WeakPolarHBondContact CD1-O 3.35Å; L11-V14 HydrophobicContact CD1-CG2 4.06Å; L11-V14 HydrophobicContact CD2-CG2 4.3Å; L11-I64 HydrophobicContact CD2-CD1 4.04Å; L11-I64 HydrophobicContact CD2-CG2 4.4Å; L11-I64 HydrophobicContact CG-CD1 4.13Å; L11-I66 HydrophobicContact CB-CD1 3.98Å; L11-F81 HydrophobicContact CD2-CE1 4.35Å; L11-F81 HydrophobicContact CD2-CZ 4.09Å; L11-F126 HydrophobicContact CD1-CB 4.1Å; L11-F126 HydrophobicContact CD1-CD1 4.13Å; L11-M128 VanDerWaalsContact CA-SD 3.56Å; L11-M128 HydrophobicContact CB-SD 3.82Å; L11-M128 HydrophobicContact CD1-SD 3.66Å; L11-M128 HydrophobicContact CG-SD 4.38Å
12R90.4Very high79.3Confident148 Ų14853.3 Ų53.356%0.55828%0.276SS*.EExtended strand (participates in β ladder)trans-125.4-35.3175.8-72.4-158176.4-168.1-1.6113.3H10 P63 I64 Q127 G129H10-R12 PolarHBondContact O-N 3.37Å; R12-P63 CarbonylContact O-C 3.43Å; R12-P63 WeakPolarHBondContact O-CA 3.39Å; R12-I64 WeakPolarHBondContact O-CB 3.46Å; R12-I64 PolarHBondContact O-N 3.06Å; R12-Q127 HydrophobicContact CB-CG 4.5Å; R12-Q127 PolarHBondContact N-O 3.21Å; R12-G129 WeakPolarHBondContact CD-O 3.24Å
13A91.3Very high80.5Confident0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-148.6157.8178.400000111.7L11 Y15 W61 D62 I64 Q127L11-A13 WeakPolarHBondContact CD1-O 3.35Å; A13-Y15 HydrophobicContact CB-CE1 3.98Å; A13-Y15 HydrophobicContact CB-CE2 4.06Å; A13-Y15 VanDerWaalsContact CB-CZ 3.49Å; A13-Y15 WeakPolarHBondContact CB-OH 3.37Å; A13-W61 CarbonylContact C-O 3.56Å; A13-W61 WeakPolarHBondContact CA-O 3.41Å; A13-W61 VanDerWaalsContact CB-O 3.23Å; A13-W61 WeakPolarHBondContact CB-O 3.31Å; A13-D62 HydrophobicContact CB-CB 3.63Å; A13-I64 VanDerWaalsContact C-CD1 3.48Å; A13-Q127 HydrophobicContact CB-CB 3.85Å; A13-Q127 PolarHBondContact O-N 3.49Å
14V91.4Very high80.5Confident0 Ų057.7 Ų57.70%028%0.28CS..EExtended strand (participates in β ladder)trans-128.2139.5171.9171.40000107.7L11 F34 W61 I64 F81 F83 V124 Y125 F126L11-V14 HydrophobicContact CD1-CG2 4.06Å; L11-V14 HydrophobicContact CD2-CG2 4.3Å; V14-F34 HydrophobicContact CB-CE1 4.11Å; V14-F34 HydrophobicContact CG2-CE1 4.21Å; V14-F34 HydrophobicContact CG2-CZ 4.29Å; V14-W61 HydrophobicContact CB-CE3 3.96Å; V14-W61 HydrophobicContact CG1-CE3 3.75Å; V14-W61 HydrophobicContact CG1-CZ3 3.91Å; V14-W61 PolarHBondContact N-O 2.89Å; V14-W61 PolarHBondContact O-N 3.26Å; V14-I64 HydrophobicContact CB-CD1 3.91Å; V14-I64 HydrophobicContact CG2-CD1 3.51Å; V14-F81 HydrophobicContact CG2-CE1 4.02Å; V14-F83 HydrophobicContact CG1-CE1 4.32Å; V14-F83 HydrophobicContact CG1-CZ 4.3Å; V14-V124 HydrophobicContact CG1-CG1 3.77Å; V14-Y125 WeakPolarHBondContact CA-O 3.34Å; V14-F126 HydrophobicContact CG2-CD1 3.95Å; V14-F126 HydrophobicContact CG2-CE1 4.28Å
15Y89.6Confident80.2Confident5 Ų556.9 Ų56.92%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-129.2121.1176.5-45.1-70.1000109.1A13 E60 D62 R112 Y125 Q127 I132A13-Y15 HydrophobicContact CB-CE1 3.98Å; A13-Y15 HydrophobicContact CB-CE2 4.06Å; A13-Y15 VanDerWaalsContact CB-CZ 3.49Å; A13-Y15 WeakPolarHBondContact CB-OH 3.37Å; Y15-E60 HydrophobicContact CD1-CB 3.84Å; Y15-E60 HydrophobicContact CD1-CG 3.75Å; Y15-E60 WeakPolarHBondContact CD1-OE2 3.34Å; Y15-E60 HydrophobicContact CE1-CB 4.34Å; Y15-E60 WeakPolarHBondContact CE1-OE2 3.43Å; Y15-D62 HydrophobicContact CE1-CB 4.15Å; Y15-D62 PolarHBondContact OH-OD2 3.01Å; Y15-R112 PolarHBondContact OH-NH1 2.92Å; Y15-R112 PolarHBondContact OH-NH2 3.33Å; Y15-R112 VanDerWaalsContact OH-NH2 3.11Å; Y15-Y125 PolarHBondContact N-O 3.34Å; Y15-Y125 PolarHBondContact O-N 3.14Å; Y15-Q127 HydrophobicContact CE2-CB 4.12Å; Y15-Q127 PolarHBondContact OH-OE1 3.04Å; Y15-I132 HydrophobicContact CE2-CD1 4.23Å
16G87.2Confident79.1Confident0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-86.5146.6166.300000111N58 P59 Q123G16-N58 CarbonylContact O-C 3.51Å; G16-N58 VanDerWaalsContact O-CA 3.24Å; G16-N58 WeakPolarHBondContact O-CA 3.39Å; G16-P59 PolarHBondContact N-O 3.07Å; G16-Q123 CarbonylContact C-O 3.6Å; G16-Q123 WeakPolarHBondContact CA-O 3.49Å
17R84.3Confident77.9Confident59 Ų5961.1 Ų61.122%0.22331%0.311CS..EExtended strand (participates in β ladder)trans-137146.3166.4-62.7-67.4-173-138.9-8.2110F19 K57 N58 E60 Q123 Y125R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 2.93Å; R17-K57 CarbonylContact C-O 3.43Å; R17-N58 VanDerWaalsContact CD-OD1 3.3Å; R17-N58 WeakPolarHBondContact CD-OD1 3.45Å; R17-E60 IonicContact CZ-OE1 2.68Å; R17-E60 VanDerWaalsContact CZ-OE1 3.23Å; R17-E60 IonicContact NH1-OE1 3.95Å; R17-E60 PolarHBondContact NH1-OE1 2.74Å; R17-E60 IonicContact NH2-OE1 2.68Å; R17-E60 PolarHBondContact NH2-OE1 2.92Å; R17-Q123 HydrophobicContact CB-CB 4.25Å; R17-Q123 PolarHBondContact N-O 2.87Å; R17-Q123 PolarHBondContact O-N 3.02Å; R17-Y125 HydrophobicContact CB-CE2 4.44Å; R17-Y125 HydrophobicContact CG-CD2 4.39Å; R17-Y125 HydrophobicContact CG-CE2 4.09Å
18N81Confident76.7Confident67 Ų6761.1 Ų61.136%0.35832%0.32SS..SBendtrans51.343.2177.4-64.9-21.6000114.6K57 S118 R121 D122N18-K57 PolarHBondContact N-O 3.37Å; N18-S118 PolarHBondContact ND2-O 3.01Å; N18-R121 CarbonylContact O-C 3.6Å; N18-R121 VanDerWaalsContact O-CA 3.31Å; N18-R121 WeakPolarHBondContact O-CA 3.44Å; N18-R121 WeakPolarHBondContact O-CB 3.14Å; N18-D122 PolarHBondContact O-N 3Å
19F83Confident75.6Confident6 Ų662.5 Ų62.53%0.02633%0.328CS..  trans-64.5136179-84.427000112.4R17 V21 V32 K57 P59 F83 L94 F95 D122 Q123 V124R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 2.93Å; F19-V21 VanDerWaalsContact C-N 3.27Å; F19-V21 HydrophobicContact CB-CG2 4.39Å; F19-V21 PolarHBondContact O-N 3.01Å; F19-V32 HydrophobicContact CD2-CG1 4.1Å; F19-V32 HydrophobicContact CD2-CG2 4.42Å; F19-V32 HydrophobicContact CE2-CG1 3.88Å; F19-K57 PolarHBondContact N-O 2.84Å; F19-P59 HydrophobicContact CD2-CG 3.8Å; F19-P59 HydrophobicContact CE2-CG 3.61Å; F19-P59 HydrophobicContact CG-CG 4.35Å; F19-P59 HydrophobicContact CZ-CG 4Å; F19-F83 HydrophobicContact CE2-CB 4.39Å; F19-F83 AromaticContact CE2-CD1 3.75Å; F19-F83 HydrophobicContact CE2-CD1 3.75Å; F19-F83 HydrophobicContact CE2-CE1 4.36Å; F19-F83 HydrophobicContact CE2-CG 4.19Å; F19-F83 AromaticContact CZ-CD1 3.84Å; F19-F83 HydrophobicContact CZ-CD1 3.84Å; F19-F83 HydrophobicContact CZ-CE1 4.03Å; F19-F83 HydrophobicContact CZ-CG 4.33Å; F19-L94 HydrophobicContact CD2-CD1 4.03Å; F19-F95 HydrophobicContact CD1-CE1 4.16Å; F19-F95 HydrophobicContact CD1-CZ 4.19Å; F19-F95 AromaticContact CD2-CE1 4Å; F19-F95 HydrophobicContact CD2-CE1 4Å; F19-F95 HydrophobicContact CD2-CZ 4.34Å; F19-F95 HydrophobicContact CE1-CE1 4.07Å; F19-F95 AromaticContact CE1-CZ 3.65Å; F19-F95 HydrophobicContact CE1-CZ 3.65Å; F19-F95 AromaticContact CE2-CE1 3.9Å; F19-F95 HydrophobicContact CE2-CE1 3.9Å; F19-F95 AromaticContact CE2-CZ 3.81Å; F19-F95 HydrophobicContact CE2-CZ 3.81Å; F19-F95 HydrophobicContact CG-CE1 4.12Å; F19-F95 AromaticContact CZ-CE1 3.96Å; F19-F95 HydrophobicContact CZ-CE1 3.96Å; F19-F95 AromaticContact CZ-CZ 3.45Å; F19-F95 HydrophobicContact CZ-CZ 3.45Å; F19-F95 VanDerWaalsContact CZ-CZ 3.45Å; F19-D122 WeakPolarHBondContact CA-OD1 3.41Å; F19-Q123 WeakPolarHBondContact CE1-O 3.5Å; F19-V124 HydrophobicContact CE1-CG2 4.14Å; F19-V124 HydrophobicContact CZ-CG2 4.17Å
20S78.6Confident74.9Confident45 Ų4558.9 Ų58.932%0.31532%0.322SS..  trans-78.362.7-178.1-67.30000112.8R121 D122S20-R121 WeakPolarHBondContact OG-CB 3.38Å; S20-R121 WeakPolarHBondContact OG-CD 3.38Å; S20-D122 VanDerWaalsContact CB-OD2 3.26Å; S20-D122 WeakPolarHBondContact CB-OD2 3.4Å; S20-D122 PolarHBondContact N-OD1 3.5Å; S20-D122 PolarHBondContact OG-OD2 2.84Å
21V72.9Confident74.8Confident28 Ų2856.7 Ų56.717%0.1731%0.312CS..  trans-78128.7175.9-178.30000110.6F19 L56 L85 L94F19-V21 VanDerWaalsContact C-N 3.27Å; F19-V21 HydrophobicContact CB-CG2 4.39Å; F19-V21 PolarHBondContact O-N 3.01Å; V21-L56 HydrophobicContact CG2-CB 4.22Å; V21-L56 WeakPolarHBondContact CG2-O 3.11Å; V21-L85 HydrophobicContact CB-CD1 4.38Å; V21-L85 HydrophobicContact CG1-CD1 3.74Å; V21-L85 HydrophobicContact CG1-CD2 3.95Å; V21-L85 HydrophobicContact CG2-CD1 3.74Å; V21-L94 HydrophobicContact CG2-CD2 4.25Å
22P67.2Low74.7Confident63 Ų6356.3 Ų56.341%0.40931%0.31SS..  trans-74.4134.1175.730.2-34.1000111.7E24 E25P22-E24 VanDerWaalsContact C-N 3.28Å; P22-E24 PolarHBondContact O-N 3.49Å; P22-E25 HydrophobicContact CG-CG 4.48Å
23D58.2Low74.8Confident138 Ų13849.5 Ų49.574%0.73829%0.285SS*.G310 helixtrans-66.8-24.2-172.9-63.5-63.6000114.2E25 S26D23-E25 VanDerWaalsContact C-N 3.33Å; D23-E25 PolarHBondContact O-N 3.12Å; D23-S26 PolarHBondContact O-OG 2.84Å
24E51.4Low74.8Confident191 Ų19149.5 Ų49.589%0.89329%0.285SS*.G310 helixtrans-68.5-23.9-174.3-62-169.4151.600114.4P22P22-E24 VanDerWaalsContact C-N 3.28Å; P22-E24 PolarHBondContact O-N 3.49Å
25E53.2Low74.7Confident81 Ų8149.5 Ų49.538%0.37929%0.285SS..G310 helixtrans-87.4-3.3-172.9-69.1-171.2143.600114.2P22 D23 S27 A28 T29 L85 H87P22-E25 HydrophobicContact CG-CG 4.48Å; D23-E25 VanDerWaalsContact C-N 3.33Å; D23-E25 PolarHBondContact O-N 3.12Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.13Å; E25-A28 PolarHBondContact O-N 2.69Å; E25-T29 PolarHBondContact O-OG1 3.15Å; E25-L85 VanDerWaalsContact OE2-CD2 3.3Å; E25-L85 WeakPolarHBondContact OE2-CD2 3.44Å; E25-H87 WeakPolarHBondContact CB-NE2 3.49Å; E25-H87 PolarHBondContact O-NE2 2.81Å; E25-H87 IonicContact OE2-NE2 2.84Å
26S54.7Low74.8Confident90 Ų9049.3 Ų49.363%0.62928%0.284SS*.THydrogen-bonded Turntrans-57.1-19.8-161.154.50000118.7D23D23-S26 PolarHBondContact O-OG 2.84Å
27S57.3Low74.8Confident123 Ų12349.9 Ų49.986%0.8629%0.288SS*.THydrogen-bonded Turntrans-82.7-18-17564.20000115.1E25E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.13Å
28A62.3Low74.7Confident42 Ų4248.6 Ų48.635%0.34729%0.289SS..THydrogen-bonded Turntrans-114.7-5.4-177.300000113.8E25 H87 R88E25-A28 PolarHBondContact O-N 2.69Å; A28-H87 VanDerWaalsContact C-ND1 3.32Å; A28-H87 WeakPolarHBondContact CA-CE1 3.45Å; A28-H87 HydrophobicContact CB-CB 4.48Å; A28-H87 WeakPolarHBondContact CB-CE1 3.43Å; A28-H87 WeakPolarHBondContact O-CA 3.5Å; A28-H87 PolarHBondContact O-CE1 2.94Å; A28-H87 PolarHBondContact O-ND1 3.12Å; A28-R88 PolarHBondContact O-N 3.15Å
29T64.9Low74.6Confident28 Ų2848.2 Ų48.217%0.17229%0.289CS..EExtended strand (participates in β ladder)trans-74.2133.7-174.4-30.30000111.8E25 L56 L85 H87E25-T29 PolarHBondContact O-OG1 3.15Å; T29-L56 HydrophobicContact CG2-CD1 4.47Å; T29-L56 HydrophobicContact CG2-CD2 3.65Å; T29-L85 HydrophobicContact CG2-CD1 4Å; T29-L85 HydrophobicContact CG2-CD2 3.78Å; T29-L85 HydrophobicContact CG2-CG 3.54Å; T29-H87 WeakPolarHBondContact CA-CE1 3.44Å; T29-H87 WeakPolarHBondContact CA-ND1 3.34Å; T29-H87 WeakPolarHBondContact CB-NE2 3.32Å; T29-H87 PolarHBondContact N-CE1 3.32Å; T29-H87 PolarHBondContact N-ND1 3.45Å; T29-H87 PolarHBondContact OG1-CE1 3Å; T29-H87 PolarHBondContact OG1-NE2 3.33Å
30V74.1Confident73.8Confident69 Ų6953.1 Ų53.142%0.41832%0.315SS..EExtended strand (participates in β ladder)trans-99.3-30.1178.2-172.80000111.2V52 S86 R88V30-V52 HydrophobicContact CB-CG1 4.36Å; V30-V52 HydrophobicContact CG1-CG1 4.11Å; V30-S86 PolarHBondContact N-O 3.33Å; V30-R88 HydrophobicContact CG2-CG 3.95Å
31G86.3Confident72.6Confident0 Ų060 Ų600%034%0.342CS..EExtended strand (participates in β ladder)trans154.2-159.7-178.800000112V52 A53 S86G31-V52 VanDerWaalsContact CA-CG1 3.49Å; G31-A53 CarbonylContact C-O 3.57Å; G31-A53 WeakPolarHBondContact CA-O 3.41Å; G31-S86 PolarHBondContact O-N 2.89Å
32V89Confident71.5Confident0 Ų065.4 Ų65.40%037%0.37CS..EExtended strand (participates in β ladder)trans-109.7143.3175.9-171.30000110.1F19 V52 A53 L56 P59 W61 F84 L85 L94F19-V32 HydrophobicContact CD2-CG1 4.1Å; F19-V32 HydrophobicContact CD2-CG2 4.42Å; F19-V32 HydrophobicContact CE2-CG1 3.88Å; V32-V52 CarbonylContact O-C 3.47Å; V32-V52 WeakPolarHBondContact O-CA 3.41Å; V32-A53 PolarHBondContact N-O 3.48Å; V32-A53 PolarHBondContact O-N 2.86Å; V32-L56 HydrophobicContact CG2-CD2 4.32Å; V32-P59 HydrophobicContact CB-CB 3.88Å; V32-P59 HydrophobicContact CB-CG 3.99Å; V32-P59 HydrophobicContact CG1-CB 4.41Å; V32-P59 HydrophobicContact CG1-CG 4.1Å; V32-P59 HydrophobicContact CG2-CB 4.2Å; V32-P59 HydrophobicContact CG2-CG 4.07Å; V32-W61 HydrophobicContact CB-CH2 4.33Å; V32-W61 HydrophobicContact CB-CZ2 4.13Å; V32-W61 HydrophobicContact CG1-CH2 3.84Å; V32-W61 HydrophobicContact CG1-CZ2 3.93Å; V32-W61 WeakPolarHBondContact O-CZ2 3.5Å; V32-F84 WeakPolarHBondContact CA-O 3.16Å; V32-F84 WeakPolarHBondContact CG1-O 3.45Å; V32-L85 HydrophobicContact CG2-CD1 4.34Å; V32-L94 HydrophobicContact CG1-CD1 3.98Å; V32-L94 HydrophobicContact CG2-CD1 4.36Å
33T92.1Very high70.8Confident4 Ų465.6 Ų65.63%0.02537%0.368CS..EExtended strand (participates in β ladder)trans-132.7151.5168.8179.80000109.8S50 F84T33-S50 PolarHBondContact OG1-O 3.38Å; T33-S50 PolarHBondContact OG1-OG 2.98Å; T33-F84 HydrophobicContact CG2-CB 3.88Å; T33-F84 HydrophobicContact CG2-CD2 4.44Å; T33-F84 PolarHBondContact N-O 2.86Å; T33-F84 PolarHBondContact O-N 3.48Å
34F91.9Very high70.6Confident0 Ų064.8 Ų64.80%036%0.362CS..EExtended strand (participates in β ladder)trans-113.7154.7169.175.7-98.1000111.6V14 L36 Y48 V49 S50 W61 I64 F81 T82 F83V14-F34 HydrophobicContact CB-CE1 4.11Å; V14-F34 HydrophobicContact CG2-CE1 4.21Å; V14-F34 HydrophobicContact CG2-CZ 4.29Å; F34-L36 HydrophobicContact CD2-CD2 3.74Å; F34-L36 HydrophobicContact CD2-CG 4.25Å; F34-L36 HydrophobicContact CE2-CD1 4.4Å; F34-L36 HydrophobicContact CE2-CD2 3.68Å; F34-L36 HydrophobicContact CE2-CG 3.96Å; F34-Y48 AromaticContact CE2-CD1 3.91Å; F34-Y48 HydrophobicContact CE2-CD1 3.91Å; F34-Y48 AromaticContact CE2-CE1 3.72Å; F34-Y48 HydrophobicContact CE2-CE1 3.72Å; F34-Y48 HydrophobicContact CZ-CD1 4.48Å; F34-Y48 AromaticContact CZ-CE1 3.84Å; F34-Y48 HydrophobicContact CZ-CE1 3.84Å; F34-V49 WeakPolarHBondContact O-CA 3.27Å; F34-S50 PolarHBondContact N-OG 3.21Å; F34-S50 PolarHBondContact O-N 3.12Å; F34-S50 PolarHBondContact O-OG 3.42Å; F34-W61 AromaticContact CD1-CD2 3.6Å; F34-W61 HydrophobicContact CD1-CD2 3.6Å; F34-W61 AromaticContact CD1-CE2 3.74Å; F34-W61 AromaticContact CD1-CE3 3.78Å; F34-W61 HydrophobicContact CD1-CE3 3.78Å; F34-W61 HydrophobicContact CD1-CG 4.08Å; F34-W61 HydrophobicContact CD1-CH2 4.15Å; F34-W61 HydrophobicContact CD1-CZ2 4Å; F34-W61 HydrophobicContact CD1-CZ3 4.06Å; F34-W61 HydrophobicContact CE1-CB 3.98Å; F34-W61 AromaticContact CE1-CD2 3.71Å; F34-W61 HydrophobicContact CE1-CD2 3.71Å; F34-W61 HydrophobicContact CE1-CE3 4.02Å; F34-W61 AromaticContact CE1-CG 3.72Å; F34-W61 HydrophobicContact CE1-CG 3.72Å; F34-I64 HydrophobicContact CE1-CD1 4.02Å; F34-I64 HydrophobicContact CE1-CG1 4.49Å; F34-I64 HydrophobicContact CZ-CD1 3.67Å; F34-I64 HydrophobicContact CZ-CG1 4.15Å; F34-I64 HydrophobicContact CZ-CG2 4.49Å; F34-F81 AromaticContact CD2-CD1 3.95Å; F34-F81 HydrophobicContact CD2-CD1 3.95Å; F34-F81 HydrophobicContact CD2-CE1 4.25Å; F34-F81 HydrophobicContact CE2-CD1 4.35Å; F34-F81 HydrophobicContact CE2-CE1 4.18Å; F34-F81 HydrophobicContact CG-CD1 4.47Å; F34-T82 CarbonylContact C-O 3.6Å; F34-T82 VanDerWaalsContact CA-O 3.27Å; F34-T82 WeakPolarHBondContact CA-O 3.2Å; F34-F83 HydrophobicContact CB-CD1 3.63Å; F34-F83 HydrophobicContact CB-CE1 3.57Å; F34-F83 HydrophobicContact CB-CG 4.29Å; F34-F83 HydrophobicContact CB-CZ 4.17Å; F34-F83 HydrophobicContact CD1-CE1 4.37Å; F34-F83 HydrophobicContact CG-CE1 4.24Å
35A90.8Very high71.4Confident1 Ų156.9 Ų56.91%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-128.9149.817200000111.3Y46 Y48 V49 F81 T82 F84A35-Y46 HydrophobicContact CB-CD1 3.42Å; A35-Y46 VanDerWaalsContact CB-CD1 3.42Å; A35-Y46 HydrophobicContact CB-CD2 4.09Å; A35-Y46 HydrophobicContact CB-CE1 3.97Å; A35-Y46 HydrophobicContact CB-CG 3.51Å; A35-Y48 CarbonylContact C-O 3.56Å; A35-Y48 VanDerWaalsContact CA-O 3.28Å; A35-Y48 WeakPolarHBondContact CA-O 3.34Å; A35-V49 HydrophobicContact CB-CG1 4.47Å; A35-V49 HydrophobicContact CB-CG2 4.03Å; A35-F81 WeakPolarHBondContact O-CA 3.34Å; A35-T82 PolarHBondContact N-O 3.21Å; A35-T82 PolarHBondContact O-N 3.16Å; A35-F84 HydrophobicContact CB-CE2 3.77Å
36L90.9Very high72.8Confident0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-109.8130.5-179.6-51.6-178.1000110.9L8 F34 Y46 Y47 Y48 I66 V79 L80 F81L8-L36 HydrophobicContact CD1-CD1 3.8Å; L8-L36 HydrophobicContact CD2-CD1 4.23Å; F34-L36 HydrophobicContact CD2-CD2 3.74Å; F34-L36 HydrophobicContact CD2-CG 4.25Å; F34-L36 HydrophobicContact CE2-CD1 4.4Å; F34-L36 HydrophobicContact CE2-CD2 3.68Å; F34-L36 HydrophobicContact CE2-CG 3.96Å; L36-Y46 CarbonylContact O-C 3.58Å; L36-Y46 VanDerWaalsContact O-CA 3.3Å; L36-Y46 WeakPolarHBondContact O-CA 3.38Å; L36-Y47 HydrophobicContact CB-CD2 4.3Å; L36-Y47 HydrophobicContact CB-CE2 3.64Å; L36-Y47 HydrophobicContact CD1-CE2 4.27Å; L36-Y47 PolarHBondContact O-N 3.25Å; L36-Y48 HydrophobicContact CD1-CD1 3.97Å; L36-Y48 HydrophobicContact CD1-CG 4.14Å; L36-Y48 HydrophobicContact CG-CD1 3.96Å; L36-Y48 HydrophobicContact CG-CG 4.37Å; L36-Y48 PolarHBondContact N-O 2.93Å; L36-I66 HydrophobicContact CD1-CG2 4.21Å; L36-V79 HydrophobicContact CB-CG1 3.89Å; L36-V79 HydrophobicContact CD2-CG1 3.85Å; L36-V79 HydrophobicContact CG-CG1 4.3Å; L36-L80 WeakPolarHBondContact CA-O 3.44Å; L36-F81 HydrophobicContact CD2-CD1 3.39Å; L36-F81 HydrophobicContact CD2-CD2 4.01Å; L36-F81 HydrophobicContact CD2-CE1 3.33Å; L36-F81 HydrophobicContact CD2-CE2 3.97Å; L36-F81 HydrophobicContact CD2-CG 3.74Å; L36-F81 HydrophobicContact CD2-CZ 3.64Å
37S87.1Confident74.3Confident12 Ų1254.7 Ų54.78%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-131.4171.2173.961.70000112.2Y47 L80S37-Y47 VanDerWaalsContact C-CE1 3.42Å; S37-Y47 PolarHBondContact O-OH 3.47Å; S37-L80 PolarHBondContact N-O 3.32Å; S37-L80 PolarHBondContact O-N 2.84Å; S37-L80 WeakPolarHBondContact OG-CB 3.27Å; S37-L80 WeakPolarHBondContact OG-CD2 3.44Å; S37-L80 WeakPolarHBondContact OG-CG 3.38Å
38S82.7Confident75.8Confident33 Ų3350.1 Ų50.123%0.23127%0.272CS..  trans-81132.7-179.3176.80000110.6N40S38-N40 VanDerWaalsContact C-N 3.26Å; S38-N40 WeakPolarHBondContact CB-O 3.43Å; S38-N40 PolarHBondContact OG-N 2.85Å; S38-N40 VanDerWaalsContact OG-N 3.14Å; S38-N40 PolarHBondContact OG-O 2.97Å
39V77.6Confident77.1Confident59 Ų5952 Ų5236%0.35828%0.279SS..SBendtrans-70.5-27.8169.7-172.20000110.9A78 L80 V98V39-A78 HydrophobicContact CG2-CB 4.03Å; V39-L80 HydrophobicContact CG2-CB 4.47Å; V39-V98 HydrophobicContact CG1-CG1 4.07Å; V39-V98 HydrophobicContact CG2-CG1 3.94Å
40N65.8Low78.3Confident108 Ų10851.2 Ų51.258%0.57827%0.274SS*.SBendtrans-80.1138.4172.5-69.219.8000110.4S38 D42S38-N40 VanDerWaalsContact C-N 3.26Å; S38-N40 WeakPolarHBondContact CB-O 3.43Å; S38-N40 PolarHBondContact OG-N 2.85Å; S38-N40 VanDerWaalsContact OG-N 3.14Å; S38-N40 PolarHBondContact OG-O 2.97Å; N40-D42 WeakPolarHBondContact CB-OD2 3.35Å; N40-D42 PolarHBondContact O-N 2.89Å
41Q54.9Low79Confident191 Ų19153.9 Ų53.989%0.89329%0.286SS*.THydrogen-bonded Turntrans-68.6-6.2-171.5-59.6-178.49.400114.9N43Q41-N43 PolarHBondContact O-N 2.99Å
42D50.2Low79.2Confident141 Ų14156.5 Ų56.575%0.75430%0.302SS*.THydrogen-bonded Turntrans-73-4.3-173.6-43.7-58.9000113.9N40N40-D42 WeakPolarHBondContact CB-OD2 3.35Å; N40-D42 PolarHBondContact O-N 2.89Å
43N52.2Low79.2Confident66 Ų6657 Ų5735%0.35331%0.306SS..  trans-127.9135.6-176.5-115.7-49.4000111.9Q41 Y73Q41-N43 PolarHBondContact O-N 2.99Å; N43-Y73 VanDerWaalsContact ND2-CE1 3.26Å; N43-Y73 WeakPolarHBondContact ND2-CE1 3.4Å; N43-Y73 PolarHBondContact ND2-OH 2.88Å
44I53Low78.8Confident121 Ų12161.9 Ų61.962%0.62134%0.339SS*.  trans-110.1114.9-176.4-59.2176.2000109N173I44-N173 WeakPolarHBondContact CG2-OD1 3.43Å
45G69.6Low78.6Confident26 Ų2665.7 Ų65.727%0.26836%0.359SS..SBendtrans94.3-172.2176.200000114.7
46Y82.2Confident78.3Confident84 Ų8468.2 Ų68.233%0.32937%0.372SS..EExtended strand (participates in β ladder)trans-91.6132.3-178.1-53.3-70000110.7A35 L36 T82 F84A35-Y46 HydrophobicContact CB-CD1 3.42Å; A35-Y46 VanDerWaalsContact CB-CD1 3.42Å; A35-Y46 HydrophobicContact CB-CD2 4.09Å; A35-Y46 HydrophobicContact CB-CE1 3.97Å; A35-Y46 HydrophobicContact CB-CG 3.51Å; L36-Y46 CarbonylContact O-C 3.58Å; L36-Y46 VanDerWaalsContact O-CA 3.3Å; L36-Y46 WeakPolarHBondContact O-CA 3.38Å; Y46-T82 WeakPolarHBondContact CE1-OG1 3.2Å; Y46-T82 PolarHBondContact OH-OG1 3.03Å; Y46-F84 HydrophobicContact CE2-CE2 4.49Å; Y46-F84 AromaticContact CE2-CZ 3.87Å; Y46-F84 HydrophobicContact CE2-CZ 3.87Å; Y46-F84 AromaticContact CZ-CZ 3.8Å
47Y85.5Confident78Confident40 Ų4074 Ų7416%0.15740%0.398CS..EExtended strand (participates in β ladder)trans-95.9-7.6175.257-107.3000113.1L8 L36 S37 L69 Y73 V79L8-Y47 HydrophobicContact CD2-CE2 3.88Å; L36-Y47 HydrophobicContact CB-CD2 4.3Å; L36-Y47 HydrophobicContact CB-CE2 3.64Å; L36-Y47 HydrophobicContact CD1-CE2 4.27Å; L36-Y47 PolarHBondContact O-N 3.25Å; S37-Y47 VanDerWaalsContact C-CE1 3.42Å; S37-Y47 PolarHBondContact O-OH 3.47Å; Y47-L69 HydrophobicContact CD2-CD1 3.82Å; Y47-L69 HydrophobicContact CD2-CD2 4.01Å; Y47-L69 HydrophobicContact CE2-CD1 3.85Å; Y47-L69 WeakPolarHBondContact O-CD2 3.41Å; Y47-Y73 HydrophobicContact CD1-CD1 4.35Å; Y47-Y73 HydrophobicContact CD1-CD2 4.07Å; Y47-Y73 HydrophobicContact CD1-CE2 4.29Å; Y47-Y73 HydrophobicContact CD1-CG 4.13Å; Y47-Y73 AromaticContact CD2-CD2 3.92Å; Y47-Y73 HydrophobicContact CD2-CD2 3.92Å; Y47-Y73 HydrophobicContact CD2-CG 4.22Å; Y47-Y73 HydrophobicContact CE1-CD1 4.4Å; Y47-Y73 HydrophobicContact CE1-CG 4.27Å; Y47-Y73 HydrophobicContact CE2-CG 4.37Å; Y47-Y73 AromaticContact CG-CD2 3.69Å; Y47-Y73 HydrophobicContact CG-CD2 3.69Å; Y47-Y73 HydrophobicContact CG-CE2 4.02Å; Y47-Y73 HydrophobicContact CG-CG 4.11Å; Y47-V79 WeakPolarHBondContact OH-CG1 3.39Å; Y47-V79 WeakPolarHBondContact OH-CG2 3.47Å
48Y89.1Confident78Confident28 Ų2875.3 Ų75.311%0.1140%0.404CS..EExtended strand (participates in β ladder)trans-147.3144173-178.8-88.1000108.8F34 A35 L36 I64 E65 I66F34-Y48 AromaticContact CE2-CD1 3.91Å; F34-Y48 HydrophobicContact CE2-CD1 3.91Å; F34-Y48 AromaticContact CE2-CE1 3.72Å; F34-Y48 HydrophobicContact CE2-CE1 3.72Å; F34-Y48 HydrophobicContact CZ-CD1 4.48Å; F34-Y48 AromaticContact CZ-CE1 3.84Å; F34-Y48 HydrophobicContact CZ-CE1 3.84Å; A35-Y48 CarbonylContact C-O 3.56Å; A35-Y48 VanDerWaalsContact CA-O 3.28Å; A35-Y48 WeakPolarHBondContact CA-O 3.34Å; L36-Y48 HydrophobicContact CD1-CD1 3.97Å; L36-Y48 HydrophobicContact CD1-CG 4.14Å; L36-Y48 HydrophobicContact CG-CD1 3.96Å; L36-Y48 HydrophobicContact CG-CG 4.37Å; L36-Y48 PolarHBondContact N-O 2.93Å; Y48-I64 HydrophobicContact CE1-CG2 4.28Å; Y48-E65 PolarHBondContact OH-N 3.43Å; Y48-I66 HydrophobicContact CD1-CG2 4.41Å; Y48-I66 HydrophobicContact CD2-CG2 3.65Å; Y48-I66 HydrophobicContact CE1-CG2 4.44Å; Y48-I66 HydrophobicContact CE2-CG2 3.67Å; Y48-I66 HydrophobicContact CG-CG2 4.04Å
49V89.9Confident78.3Confident82 Ų8273.8 Ų73.850%0.49739%0.393SS..EExtended strand (participates in β ladder)trans-132.9138.6167.6-171.90000106.3F34 A35F34-V49 WeakPolarHBondContact O-CA 3.27Å; A35-V49 HydrophobicContact CB-CG1 4.47Å; A35-V49 HydrophobicContact CB-CG2 4.03Å
50S90.1Very high78.9Confident11 Ų1174.6 Ų74.68%0.07739%0.393CS..PPolyproline II helixtrans-77.7169175.969.80000111.9T33 F34 W61T33-S50 PolarHBondContact OG1-O 3.38Å; T33-S50 PolarHBondContact OG1-OG 2.98Å; F34-S50 PolarHBondContact N-OG 3.21Å; F34-S50 PolarHBondContact O-N 3.12Å; F34-S50 PolarHBondContact O-OG 3.42Å; S50-W61 PolarHBondContact OG-NE1 3.24Å
51D89.1Confident80.1Confident124 Ų12470.2 Ų70.266%0.66337%0.368SS*.PPolyproline II helixtrans-63.7165.5158.2-58.6-70.4000111.3W61D51-W61 PolarHBondContact O-NE1 3.44Å
52V89.3Confident81.7Confident56 Ų5664.7 Ų64.734%0.33935%0.345SS..PPolyproline II helixtrans-85.7116.5177.6-178.10000109.5V30 G31 V32V30-V52 HydrophobicContact CB-CG1 4.36Å; V30-V52 HydrophobicContact CG1-CG1 4.11Å; G31-V52 VanDerWaalsContact CA-CG1 3.49Å; V32-V52 CarbonylContact O-C 3.47Å; V32-V52 WeakPolarHBondContact O-CA 3.41Å
53A88.7Confident83.3Confident11 Ų1162.5 Ų62.59%0.09134%0.338CS..BIsolated β-bridgetrans-84.4126.3172.600000109.9G31 V32 P59 W61G31-A53 CarbonylContact C-O 3.57Å; G31-A53 WeakPolarHBondContact CA-O 3.41Å; V32-A53 PolarHBondContact N-O 3.48Å; V32-A53 PolarHBondContact O-N 2.86Å; A53-P59 HydrophobicContact CB-CB 3.63Å; A53-W61 HydrophobicContact CB-CD2 4.39Å; A53-W61 HydrophobicContact CB-CZ2 4.16Å
54C85.4Confident84.9Confident105 Ų10559.9 Ų59.971%0.70932%0.324SS*.SBendtrans-76.2-22.1-171.3-58.30000114.9L56C54-L56 PolarHBondContact O-N 3.08Å
55D86.1Confident86.4Confident80 Ų8060.1 Ų60.143%0.42832%0.323SS..  trans-74.3114.8172.2-171.9-26.7000109.5K57 N58 P59D55-K57 PolarHBondContact OD1-N 3.46Å; D55-N58 PolarHBondContact OD1-N 3.24Å; D55-N58 WeakPolarHBondContact OD2-CB 3.49Å; D55-P59 WeakPolarHBondContact O-CA 3.36Å; D55-P59 WeakPolarHBondContact O-CB 3.36Å; D55-P59 WeakPolarHBondContact O-CD 3.39Å
56L84.7Confident87.1Confident54 Ų5459.2 Ų59.228%0.28331%0.312SS..SBendtrans-72.5-29.8-178.7-66.1175.2000113.5V21 T29 V32 C54 L85V21-L56 HydrophobicContact CG2-CB 4.22Å; V21-L56 WeakPolarHBondContact CG2-O 3.11Å; T29-L56 HydrophobicContact CG2-CD1 4.47Å; T29-L56 HydrophobicContact CG2-CD2 3.65Å; V32-L56 HydrophobicContact CG2-CD2 4.32Å; C54-L56 PolarHBondContact O-N 3.08Å; L56-L85 HydrophobicContact CD2-CD1 3.93Å
57K83.9Confident86.8Confident123 Ų12365.3 Ų65.354%0.53533%0.334SS..SBendtrans-96.5-30.7-177.9-73.5-174.2175.9179.20112.4R17 N18 F19 D55R17-K57 CarbonylContact C-O 3.43Å; N18-K57 PolarHBondContact N-O 3.37Å; F19-K57 PolarHBondContact N-O 2.84Å; D55-K57 PolarHBondContact OD1-N 3.46Å
58N87.2Confident86.5Confident39 Ų3970.2 Ų70.221%0.20936%0.363CS..SBendtrans-133.958.7-176.4-47.5-78.2000113.1G16 R17 D55 E60G16-N58 CarbonylContact O-C 3.51Å; G16-N58 VanDerWaalsContact O-CA 3.24Å; G16-N58 WeakPolarHBondContact O-CA 3.39Å; R17-N58 VanDerWaalsContact CD-OD1 3.3Å; R17-N58 WeakPolarHBondContact CD-OD1 3.45Å; D55-N58 PolarHBondContact OD1-N 3.24Å; D55-N58 WeakPolarHBondContact OD2-CB 3.49Å; N58-E60 PolarHBondContact O-N 3.19Å
59P89Confident86.2Confident0 Ų069.9 Ų69.90%036%0.363CS..  trans-65.3128.2-176.527.3-35.5000111.8G16 F19 V32 A53 D55 W61G16-P59 PolarHBondContact N-O 3.07Å; F19-P59 HydrophobicContact CD2-CG 3.8Å; F19-P59 HydrophobicContact CE2-CG 3.61Å; F19-P59 HydrophobicContact CG-CG 4.35Å; F19-P59 HydrophobicContact CZ-CG 4Å; V32-P59 HydrophobicContact CB-CB 3.88Å; V32-P59 HydrophobicContact CB-CG 3.99Å; V32-P59 HydrophobicContact CG1-CB 4.41Å; V32-P59 HydrophobicContact CG1-CG 4.1Å; V32-P59 HydrophobicContact CG2-CB 4.2Å; V32-P59 HydrophobicContact CG2-CG 4.07Å; A53-P59 HydrophobicContact CB-CB 3.63Å; D55-P59 WeakPolarHBondContact O-CA 3.36Å; D55-P59 WeakPolarHBondContact O-CB 3.36Å; D55-P59 WeakPolarHBondContact O-CD 3.39Å; P59-W61 HydrophobicContact CB-CE3 4.44Å; P59-W61 HydrophobicContact CB-CH2 3.49Å; P59-W61 VanDerWaalsContact CB-CH2 3.49Å; P59-W61 HydrophobicContact CB-CZ2 3.81Å; P59-W61 HydrophobicContact CB-CZ3 3.83Å; P59-W61 HydrophobicContact CG-CH2 3.54Å; P59-W61 HydrophobicContact CG-CZ2 4.31Å; P59-W61 HydrophobicContact CG-CZ3 3.83Å
60E90.5Very high85.8Confident76 Ų7669.3 Ų69.336%0.35536%0.361SS..EExtended strand (participates in β ladder)trans-114.2134.1176.3-59.2-157.2-169.600111Y15 R17 N58 R112Y15-E60 HydrophobicContact CD1-CB 3.84Å; Y15-E60 HydrophobicContact CD1-CG 3.75Å; Y15-E60 WeakPolarHBondContact CD1-OE2 3.34Å; Y15-E60 HydrophobicContact CE1-CB 4.34Å; Y15-E60 WeakPolarHBondContact CE1-OE2 3.43Å; R17-E60 IonicContact CZ-OE1 2.68Å; R17-E60 VanDerWaalsContact CZ-OE1 3.23Å; R17-E60 IonicContact NH1-OE1 3.95Å; R17-E60 PolarHBondContact NH1-OE1 2.74Å; R17-E60 IonicContact NH2-OE1 2.68Å; R17-E60 PolarHBondContact NH2-OE1 2.92Å; N58-E60 PolarHBondContact O-N 3.19Å; E60-R112 IonicContact OE2-NH2 2.66Å
61W92.4Very high85.4Confident16 Ų1677.8 Ų77.86%0.06140%0.396CS..EExtended strand (participates in β ladder)trans-126.391.7176-60.1-85.4000109.3A13 V14 V32 F34 S50 D51 A53 P59 I64 F83A13-W61 CarbonylContact C-O 3.56Å; A13-W61 WeakPolarHBondContact CA-O 3.41Å; A13-W61 VanDerWaalsContact CB-O 3.23Å; A13-W61 WeakPolarHBondContact CB-O 3.31Å; V14-W61 HydrophobicContact CB-CE3 3.96Å; V14-W61 HydrophobicContact CG1-CE3 3.75Å; V14-W61 HydrophobicContact CG1-CZ3 3.91Å; V14-W61 PolarHBondContact N-O 2.89Å; V14-W61 PolarHBondContact O-N 3.26Å; V32-W61 HydrophobicContact CB-CH2 4.33Å; V32-W61 HydrophobicContact CB-CZ2 4.13Å; V32-W61 HydrophobicContact CG1-CH2 3.84Å; V32-W61 HydrophobicContact CG1-CZ2 3.93Å; V32-W61 WeakPolarHBondContact O-CZ2 3.5Å; F34-W61 AromaticContact CD1-CD2 3.6Å; F34-W61 HydrophobicContact CD1-CD2 3.6Å; F34-W61 AromaticContact CD1-CE2 3.74Å; F34-W61 AromaticContact CD1-CE3 3.78Å; F34-W61 HydrophobicContact CD1-CE3 3.78Å; F34-W61 HydrophobicContact CD1-CG 4.08Å; F34-W61 HydrophobicContact CD1-CH2 4.15Å; F34-W61 HydrophobicContact CD1-CZ2 4Å; F34-W61 HydrophobicContact CD1-CZ3 4.06Å; F34-W61 HydrophobicContact CE1-CB 3.98Å; F34-W61 AromaticContact CE1-CD2 3.71Å; F34-W61 HydrophobicContact CE1-CD2 3.71Å; F34-W61 HydrophobicContact CE1-CE3 4.02Å; F34-W61 AromaticContact CE1-CG 3.72Å; F34-W61 HydrophobicContact CE1-CG 3.72Å; S50-W61 PolarHBondContact OG-NE1 3.24Å; D51-W61 PolarHBondContact O-NE1 3.44Å; A53-W61 HydrophobicContact CB-CD2 4.39Å; A53-W61 HydrophobicContact CB-CZ2 4.16Å; P59-W61 HydrophobicContact CB-CE3 4.44Å; P59-W61 HydrophobicContact CB-CH2 3.49Å; P59-W61 VanDerWaalsContact CB-CH2 3.49Å; P59-W61 HydrophobicContact CB-CZ2 3.81Å; P59-W61 HydrophobicContact CB-CZ3 3.83Å; P59-W61 HydrophobicContact CG-CH2 3.54Å; P59-W61 HydrophobicContact CG-CZ2 4.31Å; P59-W61 HydrophobicContact CG-CZ3 3.83Å; W61-I64 HydrophobicContact CB-CD1 4.39Å; W61-I64 HydrophobicContact CB-CG1 4.15Å; W61-F83 AromaticContact CH2-CD1 3.85Å; W61-F83 HydrophobicContact CH2-CD1 3.85Å; W61-F83 AromaticContact CH2-CE1 3.78Å; W61-F83 HydrophobicContact CH2-CE1 3.78Å; W61-F83 HydrophobicContact CZ3-CD1 4.33Å; W61-F83 AromaticContact CZ3-CE1 3.79Å; W61-F83 HydrophobicContact CZ3-CE1 3.79Å
62D87.4Confident85.2Confident75 Ų7577.5 Ų77.540%0.40139%0.391SS..  trans-137.8114.9177.2-172.114.3000108.7A13 Y15 R112A13-D62 HydrophobicContact CB-CB 3.63Å; Y15-D62 HydrophobicContact CE1-CB 4.15Å; Y15-D62 PolarHBondContact OH-OD2 3.01Å; D62-R112 IonicContact OD2-CZ 2.93Å; D62-R112 IonicContact OD2-NH1 3.94Å; D62-R112 PolarHBondContact OD2-NH1 2.83Å; D62-R112 VanDerWaalsContact OD2-NH1 3.09Å; D62-R112 IonicContact OD2-NH2 2.83Å; D62-R112 PolarHBondContact OD2-NH2 3.39Å
63P84.4Confident84.9Confident96 Ų9676.7 Ų76.762%0.62338%0.382SS*.SBendcis-90.1161.41.237.3-35.7000114.2R12R12-P63 CarbonylContact O-C 3.43Å; R12-P63 WeakPolarHBondContact O-CA 3.39Å
64I86.3Confident84.8Confident11 Ų1177.6 Ų77.66%0.05639%0.386CS..  trans-98.2122.5173.9-71.2171.8000110.9L11 R12 A13 V14 F34 Y48 W61 I66L11-I64 HydrophobicContact CD2-CD1 4.04Å; L11-I64 HydrophobicContact CD2-CG2 4.4Å; L11-I64 HydrophobicContact CG-CD1 4.13Å; R12-I64 WeakPolarHBondContact O-CB 3.46Å; R12-I64 PolarHBondContact O-N 3.06Å; A13-I64 VanDerWaalsContact C-CD1 3.48Å; V14-I64 HydrophobicContact CB-CD1 3.91Å; V14-I64 HydrophobicContact CG2-CD1 3.51Å; F34-I64 HydrophobicContact CE1-CD1 4.02Å; F34-I64 HydrophobicContact CE1-CG1 4.49Å; F34-I64 HydrophobicContact CZ-CD1 3.67Å; F34-I64 HydrophobicContact CZ-CG1 4.15Å; F34-I64 HydrophobicContact CZ-CG2 4.49Å; Y48-I64 HydrophobicContact CE1-CG2 4.28Å; W61-I64 HydrophobicContact CB-CD1 4.39Å; W61-I64 HydrophobicContact CB-CG1 4.15Å; I64-I66 VanDerWaalsContact C-N 3.27Å; I64-I66 HydrophobicContact CG2-CB 4.27Å; I64-I66 HydrophobicContact CG2-CG1 4.09Å; I64-I66 HydrophobicContact CG2-CG2 3.57Å; I64-I66 PolarHBondContact O-N 3.23Å; I64-I66 VanDerWaalsContact O-N 3.08Å
65E83.3Confident84.8Confident126 Ų12675.6 Ų75.659%0.58937%0.373SS*.  trans-82.630.8-171.8-71.6-106.8123.800114.8Y48 R67Y48-E65 PolarHBondContact OH-N 3.43Å; E65-R67 PolarHBondContact O-N 3.44Å
66I84.9Confident84.7Confident6 Ų673.1 Ų73.13%0.03136%0.361CS..G310 helixtrans-64.4-2.2-177.553.4160.8000115.5L8 L11 L36 Y48 I64 N68 L69 L74L8-I66 HydrophobicContact CD1-CD1 4.11Å; L8-I66 HydrophobicContact CG-CD1 4.06Å; L8-I66 WeakPolarHBondContact O-CD1 3.18Å; L11-I66 HydrophobicContact CB-CD1 3.98Å; L36-I66 HydrophobicContact CD1-CG2 4.21Å; Y48-I66 HydrophobicContact CD1-CG2 4.41Å; Y48-I66 HydrophobicContact CD2-CG2 3.65Å; Y48-I66 HydrophobicContact CE1-CG2 4.44Å; Y48-I66 HydrophobicContact CE2-CG2 3.67Å; Y48-I66 HydrophobicContact CG-CG2 4.04Å; I64-I66 VanDerWaalsContact C-N 3.27Å; I64-I66 HydrophobicContact CG2-CB 4.27Å; I64-I66 HydrophobicContact CG2-CG1 4.09Å; I64-I66 HydrophobicContact CG2-CG2 3.57Å; I64-I66 PolarHBondContact O-N 3.23Å; I64-I66 VanDerWaalsContact O-N 3.08Å; I66-N68 PolarHBondContact O-N 3.07Å; I66-N68 VanDerWaalsContact O-N 3.14Å; I66-L69 HydrophobicContact CB-CD1 3.94Å; I66-L69 HydrophobicContact CB-CG 4.37Å; I66-L69 HydrophobicContact CG2-CD1 3.87Å; I66-L69 WeakPolarHBondContact O-CB 3.33Å; I66-L69 WeakPolarHBondContact O-CG 3.39Å; I66-L69 PolarHBondContact O-N 3.34Å; I66-L69 VanDerWaalsContact O-N 3.11Å; I66-L74 HydrophobicContact CD1-CD2 4.41Å
67R75.8Confident84.7Confident212 Ų21277.3 Ų77.380%0.838%0.377SS*.G310 helixtrans-58.9-29.3-174.1-61.7-172.5-171.1-174.48.1113.8E65 L69E65-R67 PolarHBondContact O-N 3.44Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.18Å
68N78.3Confident84.8Confident144 Ų14472.2 Ų72.277%0.7736%0.358SS*.G310 helixtrans-83.1-3.1-176.9-62.2-27.4000113.4I66I66-N68 PolarHBondContact O-N 3.07Å; I66-N68 VanDerWaalsContact O-N 3.14Å
69L83.9Confident84.8Confident21 Ų2170.3 Ų70.311%0.1135%0.348CS..SBendtrans-69.4144.3-179.5-67.6-177000112.8L8 Y47 I66 R67 K71 L74L8-L69 HydrophobicContact CD2-CD1 3.93Å; Y47-L69 HydrophobicContact CD2-CD1 3.82Å; Y47-L69 HydrophobicContact CD2-CD2 4.01Å; Y47-L69 HydrophobicContact CE2-CD1 3.85Å; Y47-L69 WeakPolarHBondContact O-CD2 3.41Å; I66-L69 HydrophobicContact CB-CD1 3.94Å; I66-L69 HydrophobicContact CB-CG 4.37Å; I66-L69 HydrophobicContact CG2-CD1 3.87Å; I66-L69 WeakPolarHBondContact O-CB 3.33Å; I66-L69 WeakPolarHBondContact O-CG 3.39Å; I66-L69 PolarHBondContact O-N 3.34Å; I66-L69 VanDerWaalsContact O-N 3.11Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.18Å; L69-K71 PolarHBondContact O-N 3.44Å; L69-L74 HydrophobicContact CB-CD2 4.16Å; L69-L74 HydrophobicContact CB-CG 4.03Å; L69-L74 WeakPolarHBondContact O-CD1 3.29Å
70P81.5Confident84.8Confident69 Ų6971.9 Ų71.945%0.44836%0.356SS..  trans-49.6138.1170.4-30.736.4000113.3Q72 Y73 L74P70-Q72 HydrophobicContact CB-CG 4.07Å; P70-Q72 PolarHBondContact O-N 2.69Å; P70-Y73 HydrophobicContact CB-CD2 4.19Å; P70-Y73 HydrophobicContact CB-CE2 4.26Å; P70-Y73 HydrophobicContact CG-CD2 4.17Å; P70-Y73 HydrophobicContact CG-CE2 4.03Å; P70-Y73 PolarHBondContact O-N 3.08Å; P70-L74 PolarHBondContact O-N 3.32Å
71K82.3Confident84.8Confident189 Ų18968.3 Ų68.382%0.82234%0.34SS*.Hα-helixtrans-50.5-31.4-176.1-70.8-177.4179.4176.20113.9L69 S75L69-K71 PolarHBondContact O-N 3.44Å; K71-S75 WeakPolarHBondContact O-CB 3.47Å; K71-S75 PolarHBondContact O-N 2.73Å; K71-S75 VanDerWaalsContact O-N 3.07Å
72Q83.1Confident84.6Confident119 Ų11967.5 Ų67.556%0.55634%0.337SS*.Hα-helixtrans-59.7-48.1175.461.2-171.427.200112.6P70 S75 S76P70-Q72 HydrophobicContact CB-CG 4.07Å; P70-Q72 PolarHBondContact O-N 2.69Å; Q72-S75 PolarHBondContact O-N 3.06Å; Q72-S75 VanDerWaalsContact O-N 3.16Å; Q72-S75 PolarHBondContact O-OG 2.96Å; Q72-S76 PolarHBondContact O-N 2.84Å
73Y84.6Confident84.7Confident38 Ų3864 Ų6415%0.14932%0.318CS..Hα-helixtrans-72.1-38.1179.6-50.7-33.2000111.7L8 N43 Y47 P70 S75 S76L8-Y73 WeakPolarHBondContact CD2-O 3.45Å; N43-Y73 VanDerWaalsContact ND2-CE1 3.26Å; N43-Y73 WeakPolarHBondContact ND2-CE1 3.4Å; N43-Y73 PolarHBondContact ND2-OH 2.88Å; Y47-Y73 HydrophobicContact CD1-CD1 4.35Å; Y47-Y73 HydrophobicContact CD1-CD2 4.07Å; Y47-Y73 HydrophobicContact CD1-CE2 4.29Å; Y47-Y73 HydrophobicContact CD1-CG 4.13Å; Y47-Y73 AromaticContact CD2-CD2 3.92Å; Y47-Y73 HydrophobicContact CD2-CD2 3.92Å; Y47-Y73 HydrophobicContact CD2-CG 4.22Å; Y47-Y73 HydrophobicContact CE1-CD1 4.4Å; Y47-Y73 HydrophobicContact CE1-CG 4.27Å; Y47-Y73 HydrophobicContact CE2-CG 4.37Å; Y47-Y73 AromaticContact CG-CD2 3.69Å; Y47-Y73 HydrophobicContact CG-CD2 3.69Å; Y47-Y73 HydrophobicContact CG-CE2 4.02Å; Y47-Y73 HydrophobicContact CG-CG 4.11Å; P70-Y73 HydrophobicContact CB-CD2 4.19Å; P70-Y73 HydrophobicContact CB-CE2 4.26Å; P70-Y73 HydrophobicContact CG-CD2 4.17Å; P70-Y73 HydrophobicContact CG-CE2 4.03Å; P70-Y73 PolarHBondContact O-N 3.08Å; Y73-S75 PolarHBondContact O-N 3.5Å; Y73-S75 VanDerWaalsContact O-N 3.14Å; Y73-S76 VanDerWaalsContact O-CB 3.23Å; Y73-S76 WeakPolarHBondContact O-CB 3.46Å; Y73-S76 PolarHBondContact O-N 3.22Å; Y73-S76 PolarHBondContact O-OG 3.25Å; Y73-S76 VanDerWaalsContact O-OG 3.08Å
74L85.2Confident84.8Confident31 Ų3160.6 Ų60.616%0.16229%0.293CS..Hα-helixtrans-57.7-25.3171-72.5-180000113R9 I66 L69 P70R9-L74 HydrophobicContact CB-CB 4.01Å; R9-L74 HydrophobicContact CB-CD2 3.99Å; R9-L74 WeakPolarHBondContact CB-O 3.43Å; R9-L74 WeakPolarHBondContact CG-O 3.26Å; R9-L74 PolarHBondContact N-O 2.91Å; I66-L74 HydrophobicContact CD1-CD2 4.41Å; L69-L74 HydrophobicContact CB-CD2 4.16Å; L69-L74 HydrophobicContact CB-CG 4.03Å; L69-L74 WeakPolarHBondContact O-CD1 3.29Å; P70-L74 PolarHBondContact O-N 3.32Å
75S85.1Confident84.9Confident63 Ų6360.1 Ų60.144%0.44129%0.291SS..THydrogen-bonded Turntrans-89.8-2.6177.682.40000115.2R7 K71 Q72 Y73R7-S75 VanDerWaalsContact CD-O 3.25Å; R7-S75 WeakPolarHBondContact CD-O 3.27Å; R7-S75 PolarHBondContact NE-O 3.01Å; K71-S75 WeakPolarHBondContact O-CB 3.47Å; K71-S75 PolarHBondContact O-N 2.73Å; K71-S75 VanDerWaalsContact O-N 3.07Å; Q72-S75 PolarHBondContact O-N 3.06Å; Q72-S75 VanDerWaalsContact O-N 3.16Å; Q72-S75 PolarHBondContact O-OG 2.96Å; Y73-S75 PolarHBondContact O-N 3.5Å; Y73-S75 VanDerWaalsContact O-N 3.14Å
76S85.5Confident84.8Confident27 Ų2754.7 Ų54.719%0.18927%0.267CS..  trans-59.1136.8-176.4-69.50000113.4R7 Q72 Y73R7-S76 WeakPolarHBondContact CD-O 3.41Å; Q72-S76 PolarHBondContact O-N 2.84Å; Y73-S76 VanDerWaalsContact O-CB 3.23Å; Y73-S76 WeakPolarHBondContact O-CB 3.46Å; Y73-S76 PolarHBondContact O-N 3.22Å; Y73-S76 PolarHBondContact O-OG 3.25Å; Y73-S76 VanDerWaalsContact O-OG 3.08Å
77K84.9Confident84.5Confident142 Ų14255.6 Ų55.662%0.61727%0.271SS*.SBendtrans-82.2-27.3175.7-51-167.6-177.6173.20113.1F101K77-F101 WeakPolarHBondContact O-CD2 3.28Å; K77-F101 PolarHBondContact O-N 2.89Å; K77-F101 VanDerWaalsContact O-N 3.08Å
78A85.9Confident84.2Confident16 Ų1656.1 Ų56.113%0.13227%0.273CS..EExtended strand (participates in β ladder)trans-145.4151.9178.700000109.5V39 V99 H100V39-A78 HydrophobicContact CG2-CB 4.03Å; A78-V99 CarbonylContact C-O 3.6Å; A78-V99 WeakPolarHBondContact CA-O 3.2Å; A78-H100 HydrophobicContact CB-CB 4.38Å
79V87.4Confident83.7Confident0 Ų058.3 Ų58.30%028%0.279CS..EExtended strand (participates in β ladder)trans-142.3140.6-177.3172.70000108.9L8 L36 Y47 F81 V99 F101L8-V79 HydrophobicContact CB-CG2 4.35Å; L8-V79 HydrophobicContact CD1-CG2 4.44Å; L8-V79 HydrophobicContact CD2-CG2 4.29Å; L36-V79 HydrophobicContact CB-CG1 3.89Å; L36-V79 HydrophobicContact CD2-CG1 3.85Å; L36-V79 HydrophobicContact CG-CG1 4.3Å; Y47-V79 WeakPolarHBondContact OH-CG1 3.39Å; Y47-V79 WeakPolarHBondContact OH-CG2 3.47Å; V79-F81 HydrophobicContact CB-CD2 4.35Å; V79-F81 HydrophobicContact CB-CE2 4Å; V79-F81 HydrophobicContact CG1-CD2 4Å; V79-F81 HydrophobicContact CG1-CE2 3.87Å; V79-V99 PolarHBondContact N-O 3.18Å; V79-V99 PolarHBondContact O-N 2.96Å; V79-F101 HydrophobicContact CB-CE2 4.36Å; V79-F101 HydrophobicContact CB-CZ 4.07Å; V79-F101 HydrophobicContact CG2-CE2 3.69Å; V79-F101 HydrophobicContact CG2-CZ 3.76Å
80L87.3Confident83Confident33 Ų3360.6 Ų60.617%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-87.5119.3169.4171.157.9000108.6L36 S37 V39 E96 V98L36-L80 WeakPolarHBondContact CA-O 3.44Å; S37-L80 PolarHBondContact N-O 3.32Å; S37-L80 PolarHBondContact O-N 2.84Å; S37-L80 WeakPolarHBondContact OG-CB 3.27Å; S37-L80 WeakPolarHBondContact OG-CD2 3.44Å; S37-L80 WeakPolarHBondContact OG-CG 3.38Å; V39-L80 HydrophobicContact CG2-CB 4.47Å; L80-E96 HydrophobicContact CD1-CB 4.02Å; L80-V98 HydrophobicContact CD1-CG2 3.96Å
81F90.7Very high82.9Confident0 Ų061 Ų610%030%0.295CS..EExtended strand (participates in β ladder)trans-97.1120171.1-73.4-111.8000108.4L11 V14 F34 A35 L36 V79 F83 E96 I97 V99 F101 F126L11-F81 HydrophobicContact CD2-CE1 4.35Å; L11-F81 HydrophobicContact CD2-CZ 4.09Å; V14-F81 HydrophobicContact CG2-CE1 4.02Å; F34-F81 AromaticContact CD2-CD1 3.95Å; F34-F81 HydrophobicContact CD2-CD1 3.95Å; F34-F81 HydrophobicContact CD2-CE1 4.25Å; F34-F81 HydrophobicContact CE2-CD1 4.35Å; F34-F81 HydrophobicContact CE2-CE1 4.18Å; F34-F81 HydrophobicContact CG-CD1 4.47Å; A35-F81 WeakPolarHBondContact O-CA 3.34Å; L36-F81 HydrophobicContact CD2-CD1 3.39Å; L36-F81 HydrophobicContact CD2-CD2 4.01Å; L36-F81 HydrophobicContact CD2-CE1 3.33Å; L36-F81 HydrophobicContact CD2-CE2 3.97Å; L36-F81 HydrophobicContact CD2-CG 3.74Å; L36-F81 HydrophobicContact CD2-CZ 3.64Å; V79-F81 HydrophobicContact CB-CD2 4.35Å; V79-F81 HydrophobicContact CB-CE2 4Å; V79-F81 HydrophobicContact CG1-CD2 4Å; V79-F81 HydrophobicContact CG1-CE2 3.87Å; F81-F83 HydrophobicContact CB-CD2 4.45Å; F81-F83 HydrophobicContact CB-CE2 3.76Å; F81-F83 HydrophobicContact CB-CZ 4.31Å; F81-F83 HydrophobicContact CD1-CZ 4.24Å; F81-E96 CarbonylContact O-C 3.54Å; F81-E96 WeakPolarHBondContact O-CA 3.48Å; F81-I97 PolarHBondContact N-O 3.3Å; F81-I97 PolarHBondContact O-N 3.46Å; F81-V99 HydrophobicContact CD2-CB 3.91Å; F81-V99 HydrophobicContact CD2-CG2 3.44Å; F81-V99 VanDerWaalsContact CD2-CG2 3.44Å; F81-V99 HydrophobicContact CE2-CB 3.82Å; F81-V99 HydrophobicContact CE2-CG1 4.41Å; F81-V99 HydrophobicContact CE2-CG2 3.72Å; F81-V99 HydrophobicContact CG-CG2 4.24Å; F81-F101 HydrophobicContact CE2-CE1 4.47Å; F81-F126 HydrophobicContact CD1-CE1 4.11Å; F81-F126 HydrophobicContact CD2-CE1 4.39Å; F81-F126 HydrophobicContact CE1-CD1 4.24Å; F81-F126 AromaticContact CE1-CE1 3.68Å; F81-F126 HydrophobicContact CE1-CE1 3.68Å; F81-F126 AromaticContact CE2-CE1 3.99Å; F81-F126 HydrophobicContact CE2-CE1 3.99Å; F81-F126 HydrophobicContact CG-CE1 4.46Å; F81-F126 HydrophobicContact CZ-CD1 4.01Å; F81-F126 AromaticContact CZ-CE1 3.62Å; F81-F126 HydrophobicContact CZ-CE1 3.62Å
82T88.9Confident82.7Confident0 Ų053.8 Ų53.80%027%0.268CS..EExtended strand (participates in β ladder)trans-104.4121.9169.6-51.10000108F34 A35 Y46 F84 I93 E96F34-T82 CarbonylContact C-O 3.6Å; F34-T82 VanDerWaalsContact CA-O 3.27Å; F34-T82 WeakPolarHBondContact CA-O 3.2Å; A35-T82 PolarHBondContact N-O 3.21Å; A35-T82 PolarHBondContact O-N 3.16Å; Y46-T82 WeakPolarHBondContact CE1-OG1 3.2Å; Y46-T82 PolarHBondContact OH-OG1 3.03Å; T82-F84 HydrophobicContact CG2-CD2 4.11Å; T82-F84 HydrophobicContact CG2-CE1 4.03Å; T82-F84 HydrophobicContact CG2-CE2 3.45Å; T82-F84 VanDerWaalsContact CG2-CE2 3.45Å; T82-F84 HydrophobicContact CG2-CZ 3.41Å; T82-F84 VanDerWaalsContact CG2-CZ 3.41Å; T82-I93 HydrophobicContact CG2-CD1 4.27Å; T82-I93 HydrophobicContact CG2-CG1 4.1Å; T82-I93 HydrophobicContact CG2-CG2 4.04Å; T82-E96 WeakPolarHBondContact CB-OE1 3.38Å; T82-E96 HydrophobicContact CG2-CG 3.88Å; T82-E96 VanDerWaalsContact CG2-OE1 3.32Å; T82-E96 WeakPolarHBondContact CG2-OE1 3.39Å; T82-E96 PolarHBondContact OG1-OE1 2.9Å
83F89.7Confident82.8Confident0 Ų051.8 Ų51.80%026%0.26CS..EExtended strand (participates in β ladder)trans-96.9136.2175.2-68.6-89.9000109.9V14 F19 F34 W61 F81 L94 F95 V124V14-F83 HydrophobicContact CG1-CE1 4.32Å; V14-F83 HydrophobicContact CG1-CZ 4.3Å; F19-F83 HydrophobicContact CE2-CB 4.39Å; F19-F83 AromaticContact CE2-CD1 3.75Å; F19-F83 HydrophobicContact CE2-CD1 3.75Å; F19-F83 HydrophobicContact CE2-CE1 4.36Å; F19-F83 HydrophobicContact CE2-CG 4.19Å; F19-F83 AromaticContact CZ-CD1 3.84Å; F19-F83 HydrophobicContact CZ-CD1 3.84Å; F19-F83 HydrophobicContact CZ-CE1 4.03Å; F19-F83 HydrophobicContact CZ-CG 4.33Å; F34-F83 HydrophobicContact CB-CD1 3.63Å; F34-F83 HydrophobicContact CB-CE1 3.57Å; F34-F83 HydrophobicContact CB-CG 4.29Å; F34-F83 HydrophobicContact CB-CZ 4.17Å; F34-F83 HydrophobicContact CD1-CE1 4.37Å; F34-F83 HydrophobicContact CG-CE1 4.24Å; W61-F83 AromaticContact CH2-CD1 3.85Å; W61-F83 HydrophobicContact CH2-CD1 3.85Å; W61-F83 AromaticContact CH2-CE1 3.78Å; W61-F83 HydrophobicContact CH2-CE1 3.78Å; W61-F83 HydrophobicContact CZ3-CD1 4.33Å; W61-F83 AromaticContact CZ3-CE1 3.79Å; W61-F83 HydrophobicContact CZ3-CE1 3.79Å; F81-F83 HydrophobicContact CB-CD2 4.45Å; F81-F83 HydrophobicContact CB-CE2 3.76Å; F81-F83 HydrophobicContact CB-CZ 4.31Å; F81-F83 HydrophobicContact CD1-CZ 4.24Å; F83-L94 HydrophobicContact CB-CB 4.42Å; F83-L94 PolarHBondContact O-N 2.88Å; F83-F95 HydrophobicContact CB-CD2 4.42Å; F83-F95 HydrophobicContact CB-CE1 4.39Å; F83-F95 HydrophobicContact CB-CE2 4.21Å; F83-F95 HydrophobicContact CB-CZ 4.21Å; F83-F95 AromaticContact CD2-CD2 3.79Å; F83-F95 HydrophobicContact CD2-CD2 3.79Å; F83-F95 AromaticContact CD2-CE2 3.25Å; F83-F95 HydrophobicContact CD2-CE2 3.25Å; F83-F95 AromaticContact CD2-CZ 3.82Å; F83-F95 HydrophobicContact CD2-CZ 3.82Å; F83-F95 AromaticContact CE2-CE2 3.77Å; F83-F95 HydrophobicContact CE2-CE2 3.77Å; F83-F95 HydrophobicContact CE2-CZ 4.38Å; F83-F95 HydrophobicContact CG-CD2 4.42Å; F83-F95 AromaticContact CG-CE2 3.84Å; F83-F95 HydrophobicContact CG-CE2 3.84Å; F83-F95 AromaticContact CG-CZ 3.95Å; F83-F95 HydrophobicContact CG-CZ 3.95Å; F83-F95 PolarHBondContact N-O 3.33Å; F83-V124 HydrophobicContact CE2-CG1 4.34Å; F83-V124 HydrophobicContact CE2-CG2 3.94Å; F83-V124 HydrophobicContact CZ-CB 4.48Å; F83-V124 HydrophobicContact CZ-CG1 3.72Å; F83-V124 HydrophobicContact CZ-CG2 3.88Å
84F87.2Confident82.7Confident25 Ų2551.8 Ų51.811%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-125.6139.2-177.3-60.8-96.7000111V32 T33 A35 Y46 T82 N91 S92 I93V32-F84 WeakPolarHBondContact CA-O 3.16Å; V32-F84 WeakPolarHBondContact CG1-O 3.45Å; T33-F84 HydrophobicContact CG2-CB 3.88Å; T33-F84 HydrophobicContact CG2-CD2 4.44Å; T33-F84 PolarHBondContact N-O 2.86Å; T33-F84 PolarHBondContact O-N 3.48Å; A35-F84 HydrophobicContact CB-CE2 3.77Å; Y46-F84 HydrophobicContact CE2-CE2 4.49Å; Y46-F84 AromaticContact CE2-CZ 3.87Å; Y46-F84 HydrophobicContact CE2-CZ 3.87Å; Y46-F84 AromaticContact CZ-CZ 3.8Å; T82-F84 HydrophobicContact CG2-CD2 4.11Å; T82-F84 HydrophobicContact CG2-CE1 4.03Å; T82-F84 HydrophobicContact CG2-CE2 3.45Å; T82-F84 VanDerWaalsContact CG2-CE2 3.45Å; T82-F84 HydrophobicContact CG2-CZ 3.41Å; T82-F84 VanDerWaalsContact CG2-CZ 3.41Å; F84-N91 HydrophobicContact CB-CB 4.17Å; F84-N91 HydrophobicContact CD1-CB 3.98Å; F84-N91 HydrophobicContact CG-CB 4.36Å; F84-S92 CarbonylContact C-O 3.53Å; F84-S92 WeakPolarHBondContact CA-O 3.5Å; F84-S92 WeakPolarHBondContact CB-O 3.38Å; F84-I93 HydrophobicContact CD1-CG1 3.73Å; F84-I93 HydrophobicContact CE1-CD1 4.23Å; F84-I93 HydrophobicContact CE1-CG1 3.48Å; F84-I93 VanDerWaalsContact CE1-CG1 3.48Å; F84-I93 HydrophobicContact CZ-CG1 4.32Å
85L86.8Confident82.6Confident1 Ų152 Ų521%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-76.8130.1155.7-147.671000107.5V21 E25 T29 V32 L56 N91 S92 L94V21-L85 HydrophobicContact CB-CD1 4.38Å; V21-L85 HydrophobicContact CG1-CD1 3.74Å; V21-L85 HydrophobicContact CG1-CD2 3.95Å; V21-L85 HydrophobicContact CG2-CD1 3.74Å; E25-L85 VanDerWaalsContact OE2-CD2 3.3Å; E25-L85 WeakPolarHBondContact OE2-CD2 3.44Å; T29-L85 HydrophobicContact CG2-CD1 4Å; T29-L85 HydrophobicContact CG2-CD2 3.78Å; T29-L85 HydrophobicContact CG2-CG 3.54Å; V32-L85 HydrophobicContact CG2-CD1 4.34Å; L56-L85 HydrophobicContact CD2-CD1 3.93Å; L85-N91 CarbonylContact O-C 3.51Å; L85-N91 VanDerWaalsContact O-CA 3.24Å; L85-N91 WeakPolarHBondContact O-CA 3.35Å; L85-S92 WeakPolarHBondContact CB-OG 3.22Å; L85-S92 PolarHBondContact N-O 3.44Å; L85-S92 PolarHBondContact O-N 2.88Å; L85-L94 HydrophobicContact CB-CD1 4.41Å; L85-L94 HydrophobicContact CB-CD2 4.46Å; L85-L94 HydrophobicContact CB-CG 4.18Å; L85-L94 HydrophobicContact CD1-CD1 4.04Å; L85-L94 HydrophobicContact CD1-CD2 4.27Å; L85-L94 HydrophobicContact CD1-CG 4.41Å
86S82.6Confident82.7Confident13 Ų1353.2 Ų53.29%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-105.2119.5-179.4-169.50000110.6V30 G31 N91V30-S86 PolarHBondContact N-O 3.33Å; G31-S86 PolarHBondContact O-N 2.89Å; S86-N91 WeakPolarHBondContact CA-OD1 3.32Å; S86-N91 WeakPolarHBondContact CB-OD1 3.41Å; S86-N91 PolarHBondContact OG-OD1 3.02Å
87H77.8Confident82.7Confident25 Ų2553.5 Ų53.512%0.11626%0.26CS..EExtended strand (participates in β ladder)trans-104.7164.6166.9-57.6-84.2000110.8E25 A28 T29 E89 S90E25-H87 WeakPolarHBondContact CB-NE2 3.49Å; E25-H87 PolarHBondContact O-NE2 2.81Å; E25-H87 IonicContact OE2-NE2 2.84Å; A28-H87 VanDerWaalsContact C-ND1 3.32Å; A28-H87 WeakPolarHBondContact CA-CE1 3.45Å; A28-H87 HydrophobicContact CB-CB 4.48Å; A28-H87 WeakPolarHBondContact CB-CE1 3.43Å; A28-H87 WeakPolarHBondContact O-CA 3.5Å; A28-H87 PolarHBondContact O-CE1 2.94Å; A28-H87 PolarHBondContact O-ND1 3.12Å; T29-H87 WeakPolarHBondContact CA-CE1 3.44Å; T29-H87 WeakPolarHBondContact CA-ND1 3.34Å; T29-H87 WeakPolarHBondContact CB-NE2 3.32Å; T29-H87 PolarHBondContact N-CE1 3.32Å; T29-H87 PolarHBondContact N-ND1 3.45Å; T29-H87 PolarHBondContact OG1-CE1 3Å; T29-H87 PolarHBondContact OG1-NE2 3.33Å; H87-E89 PolarHBondContact O-N 2.82Å; H87-E89 VanDerWaalsContact O-N 3.11Å; H87-S90 VanDerWaalsContact CB-O 3.28Å; H87-S90 WeakPolarHBondContact CB-O 3.42Å; H87-S90 PolarHBondContact CD2-O 3.45Å; H87-S90 PolarHBondContact N-O 3.47Å
88R69.2Low82.8Confident222 Ų22250.1 Ų50.184%0.83825%0.251SS*.SBendtrans-55.6-26173.9-64.2-177.9176.3-172.6-0.8114.3A28 V30A28-R88 PolarHBondContact O-N 3.15Å; V30-R88 HydrophobicContact CG2-CG 3.95Å
89E68.4Low82.8Confident191 Ų19149.8 Ų49.889%0.89325%0.247SC*.SBendtrans-113.7-30.4-173.1-60.5-172.1-179.400114.2H87H87-E89 PolarHBondContact O-N 2.82Å; H87-E89 VanDerWaalsContact O-N 3.11Å
90S69.9Low82.8Confident69 Ų6954.6 Ų54.648%0.48327%0.27SS..  trans-160.4151174.473.10000112.5H87H87-S90 VanDerWaalsContact CB-O 3.28Å; H87-S90 WeakPolarHBondContact CB-O 3.42Å; H87-S90 PolarHBondContact CD2-O 3.45Å; H87-S90 PolarHBondContact N-O 3.47Å
91N77.7Confident82.7Confident78 Ų7853.1 Ų53.142%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-93.3125.7173.1-67.92.7000110F84 L85 S86F84-N91 HydrophobicContact CB-CB 4.17Å; F84-N91 HydrophobicContact CD1-CB 3.98Å; F84-N91 HydrophobicContact CG-CB 4.36Å; L85-N91 CarbonylContact O-C 3.51Å; L85-N91 VanDerWaalsContact O-CA 3.24Å; L85-N91 WeakPolarHBondContact O-CA 3.35Å; S86-N91 WeakPolarHBondContact CA-OD1 3.32Å; S86-N91 WeakPolarHBondContact CB-OD1 3.41Å; S86-N91 PolarHBondContact OG-OD1 3.02Å
92S79.8Confident82.1Confident37 Ų3758 Ų5826%0.25930%0.296SS..EExtended strand (participates in β ladder)trans-91148.3169.649.80000109.7F84 L85F84-S92 CarbonylContact C-O 3.53Å; F84-S92 WeakPolarHBondContact CA-O 3.5Å; F84-S92 WeakPolarHBondContact CB-O 3.38Å; L85-S92 WeakPolarHBondContact CB-OG 3.22Å; L85-S92 PolarHBondContact N-O 3.44Å; L85-S92 PolarHBondContact O-N 2.88Å
93I84.4Confident81.5Confident76 Ų7660.2 Ų60.239%0.3932%0.318SS..EExtended strand (participates in β ladder)trans-84.1127.6176.5-65.2170.2000108.1T82 F84 E96T82-I93 HydrophobicContact CG2-CD1 4.27Å; T82-I93 HydrophobicContact CG2-CG1 4.1Å; T82-I93 HydrophobicContact CG2-CG2 4.04Å; F84-I93 HydrophobicContact CD1-CG1 3.73Å; F84-I93 HydrophobicContact CE1-CD1 4.23Å; F84-I93 HydrophobicContact CE1-CG1 3.48Å; F84-I93 VanDerWaalsContact CE1-CG1 3.48Å; F84-I93 HydrophobicContact CZ-CG1 4.32Å; I93-E96 HydrophobicContact CG2-CG 4.44Å
94L82.1Confident81.2Confident39 Ų3961.2 Ų61.220%0.20432%0.324CS..EExtended strand (participates in β ladder)trans-78.9-63.2169-76.1165.9000109.8F19 V21 V32 F83 L85F19-L94 HydrophobicContact CD2-CD1 4.03Å; V21-L94 HydrophobicContact CG2-CD2 4.25Å; V32-L94 HydrophobicContact CG1-CD1 3.98Å; V32-L94 HydrophobicContact CG2-CD1 4.36Å; F83-L94 HydrophobicContact CB-CB 4.42Å; F83-L94 PolarHBondContact O-N 2.88Å; L85-L94 HydrophobicContact CB-CD1 4.41Å; L85-L94 HydrophobicContact CB-CD2 4.46Å; L85-L94 HydrophobicContact CB-CG 4.18Å; L85-L94 HydrophobicContact CD1-CD1 4.04Å; L85-L94 HydrophobicContact CD1-CD2 4.27Å; L85-L94 HydrophobicContact CD1-CG 4.41Å
95F84.4Confident80.9Confident35 Ų3562.5 Ų62.515%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-161.4171-179.859.9-98.1000112.1F19 F83 I97 D122 V124F19-F95 HydrophobicContact CD1-CE1 4.16Å; F19-F95 HydrophobicContact CD1-CZ 4.19Å; F19-F95 AromaticContact CD2-CE1 4Å; F19-F95 HydrophobicContact CD2-CE1 4Å; F19-F95 HydrophobicContact CD2-CZ 4.34Å; F19-F95 HydrophobicContact CE1-CE1 4.07Å; F19-F95 AromaticContact CE1-CZ 3.65Å; F19-F95 HydrophobicContact CE1-CZ 3.65Å; F19-F95 AromaticContact CE2-CE1 3.9Å; F19-F95 HydrophobicContact CE2-CE1 3.9Å; F19-F95 AromaticContact CE2-CZ 3.81Å; F19-F95 HydrophobicContact CE2-CZ 3.81Å; F19-F95 HydrophobicContact CG-CE1 4.12Å; F19-F95 AromaticContact CZ-CE1 3.96Å; F19-F95 HydrophobicContact CZ-CE1 3.96Å; F19-F95 AromaticContact CZ-CZ 3.45Å; F19-F95 HydrophobicContact CZ-CZ 3.45Å; F19-F95 VanDerWaalsContact CZ-CZ 3.45Å; F83-F95 HydrophobicContact CB-CD2 4.42Å; F83-F95 HydrophobicContact CB-CE1 4.39Å; F83-F95 HydrophobicContact CB-CE2 4.21Å; F83-F95 HydrophobicContact CB-CZ 4.21Å; F83-F95 AromaticContact CD2-CD2 3.79Å; F83-F95 HydrophobicContact CD2-CD2 3.79Å; F83-F95 AromaticContact CD2-CE2 3.25Å; F83-F95 HydrophobicContact CD2-CE2 3.25Å; F83-F95 AromaticContact CD2-CZ 3.82Å; F83-F95 HydrophobicContact CD2-CZ 3.82Å; F83-F95 AromaticContact CE2-CE2 3.77Å; F83-F95 HydrophobicContact CE2-CE2 3.77Å; F83-F95 HydrophobicContact CE2-CZ 4.38Å; F83-F95 HydrophobicContact CG-CD2 4.42Å; F83-F95 AromaticContact CG-CE2 3.84Å; F83-F95 HydrophobicContact CG-CE2 3.84Å; F83-F95 AromaticContact CG-CZ 3.95Å; F83-F95 HydrophobicContact CG-CZ 3.95Å; F83-F95 PolarHBondContact N-O 3.33Å; F95-I97 HydrophobicContact CD2-CD1 4.09Å; F95-I97 HydrophobicContact CD2-CG1 3.85Å; F95-I97 HydrophobicContact CE2-CD1 3.66Å; F95-I97 HydrophobicContact CE2-CG1 3.89Å; F95-D122 HydrophobicContact CD1-CB 3.92Å; F95-D122 WeakPolarHBondContact CD1-OD1 3.26Å; F95-D122 HydrophobicContact CE1-CB 3.6Å; F95-D122 WeakPolarHBondContact CE1-OD1 3.18Å; F95-D122 HydrophobicContact CZ-CB 3.93Å; F95-V124 HydrophobicContact CE2-CG2 3.94Å; F95-V124 HydrophobicContact CZ-CG2 3.98Å
96E85.7Confident80.7Confident88 Ų8866.4 Ų66.441%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-128.1137.6178.6-67.9-156.5137.500111.8L80 F81 T82 I93L80-E96 HydrophobicContact CD1-CB 4.02Å; F81-E96 CarbonylContact O-C 3.54Å; F81-E96 WeakPolarHBondContact O-CA 3.48Å; T82-E96 WeakPolarHBondContact CB-OE1 3.38Å; T82-E96 HydrophobicContact CG2-CG 3.88Å; T82-E96 VanDerWaalsContact CG2-OE1 3.32Å; T82-E96 WeakPolarHBondContact CG2-OE1 3.39Å; T82-E96 PolarHBondContact OG1-OE1 2.9Å; I93-E96 HydrophobicContact CG2-CG 4.44Å
97I85.9Confident80.3Confident34 Ų3466.1 Ų66.117%0.17435%0.352CS..EExtended strand (participates in β ladder)trans-130125.7176.1-53.9-174.8000110.4F81 F95 V99 V124F81-I97 PolarHBondContact N-O 3.3Å; F81-I97 PolarHBondContact O-N 3.46Å; F95-I97 HydrophobicContact CD2-CD1 4.09Å; F95-I97 HydrophobicContact CD2-CG1 3.85Å; F95-I97 HydrophobicContact CE2-CD1 3.66Å; F95-I97 HydrophobicContact CE2-CG1 3.89Å; I97-V99 HydrophobicContact CB-CG2 4.41Å; I97-V99 HydrophobicContact CG2-CG2 3.84Å; I97-V99 PolarHBondContact O-N 3.5Å; I97-V124 HydrophobicContact CD1-CB 4.27Å; I97-V124 HydrophobicContact CD1-CG2 3.73Å
98V86.4Confident79.8Confident71 Ų7169.9 Ų69.943%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-86.1101.5169.8-178.50000109.2V39 L80 H100V39-V98 HydrophobicContact CG1-CG1 4.07Å; V39-V98 HydrophobicContact CG2-CG1 3.94Å; L80-V98 HydrophobicContact CD1-CG2 3.96Å; V98-H100 PolarHBondContact O-N 3.46Å
99V85.7Confident79.3Confident8 Ų863.7 Ų63.75%0.04836%0.364CS..EExtended strand (participates in β ladder)trans-90.5105.2-176.3-177.10000110A78 V79 F81 I97 F101 L104 F126A78-V99 CarbonylContact C-O 3.6Å; A78-V99 WeakPolarHBondContact CA-O 3.2Å; V79-V99 PolarHBondContact N-O 3.18Å; V79-V99 PolarHBondContact O-N 2.96Å; F81-V99 HydrophobicContact CD2-CB 3.91Å; F81-V99 HydrophobicContact CD2-CG2 3.44Å; F81-V99 VanDerWaalsContact CD2-CG2 3.44Å; F81-V99 HydrophobicContact CE2-CB 3.82Å; F81-V99 HydrophobicContact CE2-CG1 4.41Å; F81-V99 HydrophobicContact CE2-CG2 3.72Å; F81-V99 HydrophobicContact CG-CG2 4.24Å; I97-V99 HydrophobicContact CB-CG2 4.41Å; I97-V99 HydrophobicContact CG2-CG2 3.84Å; I97-V99 PolarHBondContact O-N 3.5Å; V99-F101 HydrophobicContact CG1-CD1 3.92Å; V99-F101 HydrophobicContact CG1-CE1 3.94Å; V99-L104 HydrophobicContact CG1-CD1 4.29Å; V99-L104 HydrophobicContact CG1-CD2 4.15Å; V99-L104 HydrophobicContact CG1-CG 4.34Å; V99-F126 HydrophobicContact CB-CZ 4.44Å; V99-F126 HydrophobicContact CG1-CE1 4.42Å; V99-F126 HydrophobicContact CG1-CE2 4.24Å; V99-F126 HydrophobicContact CG1-CZ 4.15Å; V99-F126 HydrophobicContact CG2-CE1 3.94Å; V99-F126 HydrophobicContact CG2-CE2 4.12Å; V99-F126 HydrophobicContact CG2-CZ 3.43Å; V99-F126 VanDerWaalsContact CG2-CZ 3.43Å
100H87.5Confident78.5Confident102 Ų10260.1 Ų60.147%0.47235%0.347SS..EExtended strand (participates in β ladder)trans-84.8106.3167.9-73.1-99.5000109.8A78 V98 S102 G103A78-H100 HydrophobicContact CB-CB 4.38Å; V98-H100 PolarHBondContact O-N 3.46Å; H100-S102 PolarHBondContact O-N 3.45Å; H100-G103 PolarHBondContact O-N 3.43Å
101F85.4Confident77.7Confident2 Ų260.8 Ų60.81%0.00934%0.343CS..THydrogen-bonded Turntrans-61.7-18.4-174.2-58.7-56.1000114.3L6 L8 K77 V79 F81 V99 L104 M128L6-F101 HydrophobicContact CB-CB 3.82Å; L6-F101 WeakPolarHBondContact CB-O 3.3Å; L8-F101 HydrophobicContact CB-CE2 3.87Å; L8-F101 HydrophobicContact CB-CZ 4.09Å; L8-F101 HydrophobicContact CD1-CZ 4.11Å; L8-F101 VanDerWaalsContact N-CE2 3.28Å; K77-F101 WeakPolarHBondContact O-CD2 3.28Å; K77-F101 PolarHBondContact O-N 2.89Å; K77-F101 VanDerWaalsContact O-N 3.08Å; V79-F101 HydrophobicContact CB-CE2 4.36Å; V79-F101 HydrophobicContact CB-CZ 4.07Å; V79-F101 HydrophobicContact CG2-CE2 3.69Å; V79-F101 HydrophobicContact CG2-CZ 3.76Å; F81-F101 HydrophobicContact CE2-CE1 4.47Å; V99-F101 HydrophobicContact CG1-CD1 3.92Å; V99-F101 HydrophobicContact CG1-CE1 3.94Å; F101-L104 HydrophobicContact CD1-CD1 3.91Å; F101-M128 HydrophobicContact CB-CE 4.42Å; F101-M128 HydrophobicContact CD1-CE 3.49Å; F101-M128 VanDerWaalsContact CD1-CE 3.49Å; F101-M128 HydrophobicContact CE1-CE 3.85Å; F101-M128 HydrophobicContact CG-CE 3.99Å
102S78.7Confident76.4Confident103 Ų10361.5 Ų61.572%0.7234%0.34SS*.THydrogen-bonded Turntrans-81-11.1173.352.80000114.8H100H100-S102 PolarHBondContact O-N 3.45Å
103G76.8Confident74.8Confident45 Ų4567.5 Ų67.546%0.46436%0.364SS..SBendtrans-102.6-1.817600000114.1H100H100-G103 PolarHBondContact O-N 3.43Å
104L82.4Confident72.9Confident22 Ų2268.3 Ų68.312%0.11537%0.369CS..PPolyproline II helixtrans-68.7129.4178.1-77.7-179.3000111.5L6 V99 F101 F126 M128 Y133 A134L6-L104 HydrophobicContact CD1-CB 4.44Å; L6-L104 HydrophobicContact CD1-CD1 4.43Å; V99-L104 HydrophobicContact CG1-CD1 4.29Å; V99-L104 HydrophobicContact CG1-CD2 4.15Å; V99-L104 HydrophobicContact CG1-CG 4.34Å; F101-L104 HydrophobicContact CD1-CD1 3.91Å; L104-F126 HydrophobicContact CD1-CB 4.43Å; L104-F126 HydrophobicContact CD1-CD2 4.48Å; L104-F126 HydrophobicContact CD2-CD2 3.78Å; L104-F126 HydrophobicContact CD2-CE2 4.2Å; L104-M128 HydrophobicContact CD1-CG 4.39Å; L104-Y133 HydrophobicContact CB-CD1 4.32Å; L104-Y133 HydrophobicContact CB-CG 4.48Å; L104-A134 WeakPolarHBondContact CA-O 3.46Å; L104-A134 WeakPolarHBondContact CD2-O 3.39Å
105V81.6Confident71.1Confident52 Ų5275 Ų7532%0.31540%0.402SS..EExtended strand (participates in β ladder)trans-97.7139.5178-176.50000109.3Y133 A134 R136 F139V105-Y133 CarbonylContact O-C 3.57Å; V105-Y133 WeakPolarHBondContact O-CA 3.23Å; V105-Y133 WeakPolarHBondContact O-CB 3.49Å; V105-A134 PolarHBondContact N-O 3.47Å; V105-A134 PolarHBondContact O-N 2.99Å; V105-R136 HydrophobicContact CG2-CB 4.11Å; V105-R136 HydrophobicContact CG2-CG 4.11Å; V105-F139 HydrophobicContact CB-CD2 4.15Å; V105-F139 HydrophobicContact CB-CE2 3.81Å; V105-F139 HydrophobicContact CG1-CD2 4.29Å; V105-F139 HydrophobicContact CG1-CE2 3.83Å; V105-F139 HydrophobicContact CG1-CZ 4.1Å
106L81.7Confident69Low82 Ų8277.6 Ų77.643%0.42942%0.423SS..EExtended strand (participates in β ladder)trans-67.5129.9177.7-179.671.6000110.3R131 Y133L106-R131 HydrophobicContact CD1-CB 3.77Å; L106-R131 HydrophobicContact CD1-CG 4.18Å; L106-Y133 HydrophobicContact CB-CD1 4.22Å; L106-Y133 HydrophobicContact CB-CE1 4.06Å; L106-Y133 HydrophobicContact CD1-CD1 4.36Å; L106-Y133 HydrophobicContact CD1-CE1 3.9Å; L106-Y133 HydrophobicContact CD1-CE2 4.29Å
107T73.8Confident67Low8 Ų880.4 Ų80.45%0.04944%0.439CS..PPolyproline II helixtrans-96.2156.9172.364.70000111.2Y125 I132 A134 F139T107-Y125 HydrophobicContact CG2-CD1 4.05Å; T107-Y125 HydrophobicContact CG2-CE1 4.12Å; T107-I132 PolarHBondContact N-O 3.48Å; T107-I132 WeakPolarHBondContact OG1-CB 3.09Å; T107-I132 WeakPolarHBondContact OG1-CG2 3.45Å; T107-I132 PolarHBondContact OG1-O 3.11Å; T107-A134 HydrophobicContact CG2-CB 3.8Å; T107-F139 HydrophobicContact CG2-CE2 3.75Å; T107-F139 HydrophobicContact CG2-CZ 3.63Å
108N68.1Low65.3Low104 Ų10480.7 Ų80.756%0.55644%0.444SS*.PPolyproline II helixtrans-63.4137.7164.6-73.70.6000108.9E110 M111N108-E110 PolarHBondContact O-N 3.21Å; N108-M111 PolarHBondContact O-N 3.15Å
109S58.6Low63.7Low92 Ų9284.4 Ų84.464%0.64346%0.462SS*.G310 helixtrans-61.9-29.6179.142.40000112.7M111 R112S109-M111 PolarHBondContact O-N 3.46Å; S109-M111 VanDerWaalsContact O-N 3.12Å; S109-R112 PolarHBondContact O-N 2.94Å
110E52.1Low62.5Low116 Ų11686.8 Ų86.854%0.54248%0.479SS..G310 helixtrans-57.4-22.4176-66.2172.7177.700113.3N108 R112 E113 N114N108-E110 PolarHBondContact O-N 3.21Å; E110-R112 PolarHBondContact O-N 2.94Å; E110-E113 PolarHBondContact O-N 3.32Å; E110-N114 WeakPolarHBondContact O-CB 3.34Å; E110-N114 PolarHBondContact O-N 2.9Å
111M53.4Low61.9Low83 Ų8390.2 Ų90.241%0.40949%0.487SS..G310 helixtrans-69.1-6173.3-76.3-171158.200114.3N108 S109N108-M111 PolarHBondContact O-N 3.15Å; S109-M111 PolarHBondContact O-N 3.46Å; S109-M111 VanDerWaalsContact O-N 3.12Å
112R49.3Very low61.5Low92 Ų9291.8 Ų91.835%0.34750%0.496SS..G310 helixtrans-79.1-29.9166.1-161.4-175.9-179.21725.5112.1Y15 E60 D62 S109 E110 I132Y15-R112 PolarHBondContact OH-NH1 2.92Å; Y15-R112 PolarHBondContact OH-NH2 3.33Å; Y15-R112 VanDerWaalsContact OH-NH2 3.11Å; E60-R112 IonicContact OE2-NH2 2.66Å; D62-R112 IonicContact OD2-CZ 2.93Å; D62-R112 IonicContact OD2-NH1 3.94Å; D62-R112 PolarHBondContact OD2-NH1 2.83Å; D62-R112 VanDerWaalsContact OD2-NH1 3.09Å; D62-R112 IonicContact OD2-NH2 2.83Å; D62-R112 PolarHBondContact OD2-NH2 3.39Å; S109-R112 PolarHBondContact O-N 2.94Å; E110-R112 PolarHBondContact O-N 2.94Å; R112-I132 HydrophobicContact CB-CD1 3.86Å; R112-I132 HydrophobicContact CG-CD1 4.3Å
113E47.4Very low61.7Low164 Ų16487.1 Ų87.177%0.76646%0.463SS*.THydrogen-bonded Turntrans-110.2-39.4-167.8-65.9173.9173.400112.4E110E110-E113 PolarHBondContact O-N 3.32Å
114N43.5Very low62.1Low93 Ų9385 Ų8550%0.49744%0.441SS..SBendtrans-87115.2175-72.6-37.4000110.4E110 C116E110-N114 WeakPolarHBondContact O-CB 3.34Å; E110-N114 PolarHBondContact O-N 2.9Å; N114-C116 PolarHBondContact O-N 3.43Å
115M45.2Very low62.4Low180 Ų18085.2 Ų85.289%0.88744%0.44SS*.  trans-73.349.3-179.7-55.1175.380.600112.6I117M115-I117 VanDerWaalsContact C-N 3.32Å; M115-I117 PolarHBondContact O-N 2.92Å
116C40.5Very low62.9Low88 Ų8882.9 Ų82.960%0.59543%0.426SS*.  trans-74.981.5-175-75.80000112.5N114 S118N114-C116 PolarHBondContact O-N 3.43Å; C116-S118 PolarHBondContact O-N 3.2Å
117I42.9Very low63.2Low148 Ų14880.4 Ų80.476%0.75941%0.412SS*.  trans9.699.7142.8-47.4174.8000113.5M115M115-I117 VanDerWaalsContact C-N 3.32Å; M115-I117 PolarHBondContact O-N 2.92Å
118S49.4Very low63.9Low39 Ų3980.4 Ų80.427%0.27341%0.412SS..  trans-129.3127.5153.232.70000107.2N18 C116 S120 Q123N18-S118 PolarHBondContact ND2-O 3.01Å; C116-S118 PolarHBondContact O-N 3.2Å; S118-S120 PolarHBondContact O-N 2.88Å; S118-Q123 PolarHBondContact OG-NE2 2.8Å
119D53.4Low64.7Low150 Ų15076.5 Ų76.580%0.80240%0.396SS*.  trans-73.4-5.2-171.1-62.9-41.3000113.4R121D119-R121 PolarHBondContact O-N 3.24Å
120S61.7Low65.8Low57 Ų5775.8 Ų75.840%0.39940%0.404SS..  trans-66.4121.5170.842.10000110.2S118 Q123S118-S120 PolarHBondContact O-N 2.88Å; S120-Q123 WeakPolarHBondContact O-CG 3.35Å; S120-Q123 PolarHBondContact O-NE2 3.34Å; S120-Q123 VanDerWaalsContact O-NE2 3.12Å; S120-Q123 PolarHBondContact OG-NE2 3.32Å
121R74.1Confident67.3Low175 Ų17576.8 Ų76.866%0.6640%0.402SS*.SBendtrans-76.5168.8177.4-56.7-173.2-174.8-173.9-2.9111.6N18 S20 D119 Q123N18-R121 CarbonylContact O-C 3.6Å; N18-R121 VanDerWaalsContact O-CA 3.31Å; N18-R121 WeakPolarHBondContact O-CA 3.44Å; N18-R121 WeakPolarHBondContact O-CB 3.14Å; S20-R121 WeakPolarHBondContact OG-CB 3.38Å; S20-R121 WeakPolarHBondContact OG-CD 3.38Å; D119-R121 PolarHBondContact O-N 3.24Å; R121-Q123 VanDerWaalsContact C-N 3.33Å; R121-Q123 PolarHBondContact O-N 3.49Å
122D77.9Confident68.9Low35 Ų3573.7 Ų73.719%0.18739%0.387CS..SBendtrans56.446.2168.4-55.3-60000112.7N18 F19 S20 F95 H138N18-D122 PolarHBondContact O-N 3Å; F19-D122 WeakPolarHBondContact CA-OD1 3.41Å; S20-D122 VanDerWaalsContact CB-OD2 3.26Å; S20-D122 WeakPolarHBondContact CB-OD2 3.4Å; S20-D122 PolarHBondContact N-OD1 3.5Å; S20-D122 PolarHBondContact OG-OD2 2.84Å; F95-D122 HydrophobicContact CD1-CB 3.92Å; F95-D122 WeakPolarHBondContact CD1-OD1 3.26Å; F95-D122 HydrophobicContact CE1-CB 3.6Å; F95-D122 WeakPolarHBondContact CE1-OD1 3.18Å; F95-D122 HydrophobicContact CZ-CB 3.93Å; D122-H138 PolarHBondContact O-NE2 3.24Å
123Q81.8Confident70.7Confident5 Ų570.9 Ų70.92%0.02338%0.377CS..EExtended strand (participates in β ladder)trans-84.7134.9-179.7-47.9-170.8-30.500111.1G16 R17 F19 S118 S120 R121 Y125G16-Q123 CarbonylContact C-O 3.6Å; G16-Q123 WeakPolarHBondContact CA-O 3.49Å; R17-Q123 HydrophobicContact CB-CB 4.25Å; R17-Q123 PolarHBondContact N-O 2.87Å; R17-Q123 PolarHBondContact O-N 3.02Å; F19-Q123 WeakPolarHBondContact CE1-O 3.5Å; S118-Q123 PolarHBondContact OG-NE2 2.8Å; S120-Q123 WeakPolarHBondContact O-CG 3.35Å; S120-Q123 PolarHBondContact O-NE2 3.34Å; S120-Q123 VanDerWaalsContact O-NE2 3.12Å; S120-Q123 PolarHBondContact OG-NE2 3.32Å; R121-Q123 VanDerWaalsContact C-N 3.33Å; R121-Q123 PolarHBondContact O-N 3.49Å; Q123-Y125 HydrophobicContact CB-CE2 3.86Å; Q123-Y125 PolarHBondContact OE1-OH 3.45Å; Q123-Y125 VanDerWaalsContact OE1-OH 3.1Å
124V86.3Confident72.4Confident1 Ų163.1 Ų63.11%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-129.9122.5179.8-171.20000111.5V14 F19 F83 F95 I97 F126V14-V124 HydrophobicContact CG1-CG1 3.77Å; F19-V124 HydrophobicContact CE1-CG2 4.14Å; F19-V124 HydrophobicContact CZ-CG2 4.17Å; F83-V124 HydrophobicContact CE2-CG1 4.34Å; F83-V124 HydrophobicContact CE2-CG2 3.94Å; F83-V124 HydrophobicContact CZ-CB 4.48Å; F83-V124 HydrophobicContact CZ-CG1 3.72Å; F83-V124 HydrophobicContact CZ-CG2 3.88Å; F95-V124 HydrophobicContact CE2-CG2 3.94Å; F95-V124 HydrophobicContact CZ-CG2 3.98Å; I97-V124 HydrophobicContact CD1-CB 4.27Å; I97-V124 HydrophobicContact CD1-CG2 3.73Å; V124-F126 HydrophobicContact CB-CE2 4.2Å; V124-F126 HydrophobicContact CB-CZ 3.99Å; V124-F126 HydrophobicContact CG1-CE1 3.73Å; V124-F126 HydrophobicContact CG1-CE2 3.85Å; V124-F126 HydrophobicContact CG1-CZ 3.33Å; V124-F126 WeakPolarHBondContact O-CE2 3.42Å
125Y88.5Confident73.9Confident25 Ų2560.2 Ų60.210%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-110.1143.3178.4-60-92.7000110.5V14 Y15 R17 T107 Q123 I132 Y133 A134V14-Y125 WeakPolarHBondContact CA-O 3.34Å; Y15-Y125 PolarHBondContact N-O 3.34Å; Y15-Y125 PolarHBondContact O-N 3.14Å; R17-Y125 HydrophobicContact CB-CE2 4.44Å; R17-Y125 HydrophobicContact CG-CD2 4.39Å; R17-Y125 HydrophobicContact CG-CE2 4.09Å; T107-Y125 HydrophobicContact CG2-CD1 4.05Å; T107-Y125 HydrophobicContact CG2-CE1 4.12Å; Q123-Y125 HydrophobicContact CB-CE2 3.86Å; Q123-Y125 PolarHBondContact OE1-OH 3.45Å; Q123-Y125 VanDerWaalsContact OE1-OH 3.1Å; Y125-I132 HydrophobicContact CD1-CG2 4.43Å; Y125-Y133 CarbonylContact C-O 3.53Å; Y125-Y133 WeakPolarHBondContact CA-O 3.4Å; Y125-A134 HydrophobicContact CD1-CB 3.81Å; Y125-A134 HydrophobicContact CE1-CB 3.94Å
126F90.5Very high74.8Confident3 Ų357.9 Ų57.91%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-124.9115.6-173.7-54.5-87.2000110.1L11 V14 F81 V99 L104 V124 M128 Y133L11-F126 HydrophobicContact CD1-CB 4.1Å; L11-F126 HydrophobicContact CD1-CD1 4.13Å; V14-F126 HydrophobicContact CG2-CD1 3.95Å; V14-F126 HydrophobicContact CG2-CE1 4.28Å; F81-F126 HydrophobicContact CD1-CE1 4.11Å; F81-F126 HydrophobicContact CD2-CE1 4.39Å; F81-F126 HydrophobicContact CE1-CD1 4.24Å; F81-F126 AromaticContact CE1-CE1 3.68Å; F81-F126 HydrophobicContact CE1-CE1 3.68Å; F81-F126 AromaticContact CE2-CE1 3.99Å; F81-F126 HydrophobicContact CE2-CE1 3.99Å; F81-F126 HydrophobicContact CG-CE1 4.46Å; F81-F126 HydrophobicContact CZ-CD1 4.01Å; F81-F126 AromaticContact CZ-CE1 3.62Å; F81-F126 HydrophobicContact CZ-CE1 3.62Å; V99-F126 HydrophobicContact CB-CZ 4.44Å; V99-F126 HydrophobicContact CG1-CE1 4.42Å; V99-F126 HydrophobicContact CG1-CE2 4.24Å; V99-F126 HydrophobicContact CG1-CZ 4.15Å; V99-F126 HydrophobicContact CG2-CE1 3.94Å; V99-F126 HydrophobicContact CG2-CE2 4.12Å; V99-F126 HydrophobicContact CG2-CZ 3.43Å; V99-F126 VanDerWaalsContact CG2-CZ 3.43Å; L104-F126 HydrophobicContact CD1-CB 4.43Å; L104-F126 HydrophobicContact CD1-CD2 4.48Å; L104-F126 HydrophobicContact CD2-CD2 3.78Å; L104-F126 HydrophobicContact CD2-CE2 4.2Å; V124-F126 HydrophobicContact CB-CE2 4.2Å; V124-F126 HydrophobicContact CB-CZ 3.99Å; V124-F126 HydrophobicContact CG1-CE1 3.73Å; V124-F126 HydrophobicContact CG1-CE2 3.85Å; V124-F126 HydrophobicContact CG1-CZ 3.33Å; V124-F126 WeakPolarHBondContact O-CE2 3.42Å; F126-M128 HydrophobicContact CB-CG 4.35Å; F126-M128 HydrophobicContact CB-SD 4.4Å; F126-M128 PolarHBondContact O-N 3.02Å; F126-Y133 PolarHBondContact N-O 2.92Å; F126-Y133 PolarHBondContact O-N 3.1Å
127Q89.9Confident75.8Confident31 Ų3160.6 Ų60.615%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-81.4111.1170.5-171.3170.6-37.700109.7R12 A13 Y15 R131 I132R12-Q127 HydrophobicContact CB-CG 4.5Å; R12-Q127 PolarHBondContact N-O 3.21Å; A13-Q127 HydrophobicContact CB-CB 3.85Å; A13-Q127 PolarHBondContact O-N 3.49Å; Y15-Q127 HydrophobicContact CE2-CB 4.12Å; Y15-Q127 PolarHBondContact OH-OE1 3.04Å; Q127-R131 CarbonylContact C-O 3.5Å; Q127-R131 WeakPolarHBondContact CA-O 3.23Å; Q127-I132 HydrophobicContact CB-CG1 4.43Å; Q127-I132 HydrophobicContact CG-CG1 4.38Å
128M88.3Confident76.2Confident7 Ų755.4 Ų55.43%0.03429%0.285CS..EExtended strand (participates in β ladder)trans-109.2101.2179.6-54.2-69.3-87.500108.5L6 R7 H10 L11 F101 L104 F126 G130 R131 Y133L6-M128 HydrophobicContact CB-CE 4.09Å; L6-M128 HydrophobicContact CD1-CB 4.35Å; L6-M128 HydrophobicContact CD1-CG 4.26Å; L6-M128 HydrophobicContact CD2-CB 3.91Å; R7-M128 WeakPolarHBondContact O-CE 3.05Å; H10-M128 HydrophobicContact CB-CE 4.36Å; H10-M128 CarbonylContact O-C 3.56Å; H10-M128 WeakPolarHBondContact O-CA 3.3Å; L11-M128 VanDerWaalsContact CA-SD 3.56Å; L11-M128 HydrophobicContact CB-SD 3.82Å; L11-M128 HydrophobicContact CD1-SD 3.66Å; L11-M128 HydrophobicContact CG-SD 4.38Å; F101-M128 HydrophobicContact CB-CE 4.42Å; F101-M128 HydrophobicContact CD1-CE 3.49Å; F101-M128 VanDerWaalsContact CD1-CE 3.49Å; F101-M128 HydrophobicContact CE1-CE 3.85Å; F101-M128 HydrophobicContact CG-CE 3.99Å; L104-M128 HydrophobicContact CD1-CG 4.39Å; F126-M128 HydrophobicContact CB-CG 4.35Å; F126-M128 HydrophobicContact CB-SD 4.4Å; F126-M128 PolarHBondContact O-N 3.02Å; M128-G130 PolarHBondContact O-N 3.47Å; M128-R131 PolarHBondContact N-O 3.14Å; M128-Y133 HydrophobicContact CB-CD2 3.74Å; M128-Y133 HydrophobicContact CB-CE2 3.72Å; M128-Y133 HydrophobicContact CG-CD2 3.84Å; M128-Y133 HydrophobicContact CG-CE2 4.31Å
129G83.8Confident76.1Confident23 Ų2356 Ų5624%0.23728%0.283CS..THydrogen-bonded Turntrans68.7-116.1-170.800000111.7H10 R12H10-G129 PolarHBondContact O-N 3.14Å; R12-G129 WeakPolarHBondContact CD-O 3.24Å
130G81.1Confident75.5Confident77 Ų7755.2 Ų55.279%0.79428%0.279SS*.THydrogen-bonded Turntrans-105.722.2-179.700000114.3M128M128-G130 PolarHBondContact O-N 3.47Å
131R84.9Confident74.1Confident137 Ų13758.5 Ų58.552%0.51730%0.299SS..EExtended strand (participates in β ladder)trans-142.4149.3-178.1-68.5-176.5-178.3-159.8-0.9110.8L106 Q127 M128 Y133L106-R131 HydrophobicContact CD1-CB 3.77Å; L106-R131 HydrophobicContact CD1-CG 4.18Å; Q127-R131 CarbonylContact C-O 3.5Å; Q127-R131 WeakPolarHBondContact CA-O 3.23Å; M128-R131 PolarHBondContact N-O 3.14Å; R131-Y133 HydrophobicContact CB-CD2 4.44Å; R131-Y133 HydrophobicContact CB-CE2 3.63Å; R131-Y133 WeakPolarHBondContact O-CD2 3.2Å
132I86.4Confident72.1Confident18 Ų1853.6 Ų53.69%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-98.5144.4178.1-54.4175.1000109.3Y15 T107 R112 Y125 Q127Y15-I132 HydrophobicContact CE2-CD1 4.23Å; T107-I132 PolarHBondContact N-O 3.48Å; T107-I132 WeakPolarHBondContact OG1-CB 3.09Å; T107-I132 WeakPolarHBondContact OG1-CG2 3.45Å; T107-I132 PolarHBondContact OG1-O 3.11Å; R112-I132 HydrophobicContact CB-CD1 3.86Å; R112-I132 HydrophobicContact CG-CD1 4.3Å; Y125-I132 HydrophobicContact CD1-CG2 4.43Å; Q127-I132 HydrophobicContact CB-CG1 4.43Å; Q127-I132 HydrophobicContact CG-CG1 4.38Å
133Y87.1Confident70Confident33 Ų3357.3 Ų57.313%0.12932%0.321CS..EExtended strand (participates in β ladder)trans-139.1154.8-178.5-62.1-101.6000110.5L6 L104 V105 L106 Y125 F126 M128 R131L6-Y133 HydrophobicContact CD1-CD1 4.08Å; L6-Y133 HydrophobicContact CD1-CD2 4.45Å; L6-Y133 HydrophobicContact CD1-CE1 3.9Å; L6-Y133 HydrophobicContact CD1-CE2 4.3Å; L6-Y133 HydrophobicContact CD1-CG 4.37Å; L104-Y133 HydrophobicContact CB-CD1 4.32Å; L104-Y133 HydrophobicContact CB-CG 4.48Å; V105-Y133 CarbonylContact O-C 3.57Å; V105-Y133 WeakPolarHBondContact O-CA 3.23Å; V105-Y133 WeakPolarHBondContact O-CB 3.49Å; L106-Y133 HydrophobicContact CB-CD1 4.22Å; L106-Y133 HydrophobicContact CB-CE1 4.06Å; L106-Y133 HydrophobicContact CD1-CD1 4.36Å; L106-Y133 HydrophobicContact CD1-CE1 3.9Å; L106-Y133 HydrophobicContact CD1-CE2 4.29Å; Y125-Y133 CarbonylContact C-O 3.53Å; Y125-Y133 WeakPolarHBondContact CA-O 3.4Å; F126-Y133 PolarHBondContact N-O 2.92Å; F126-Y133 PolarHBondContact O-N 3.1Å; M128-Y133 HydrophobicContact CB-CD2 3.74Å; M128-Y133 HydrophobicContact CB-CE2 3.72Å; M128-Y133 HydrophobicContact CG-CD2 3.84Å; M128-Y133 HydrophobicContact CG-CE2 4.31Å; R131-Y133 HydrophobicContact CB-CD2 4.44Å; R131-Y133 HydrophobicContact CB-CE2 3.63Å; R131-Y133 WeakPolarHBondContact O-CD2 3.2Å
134A82.9Confident67.4Low1 Ų163.5 Ų63.51%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-132.5168.2174.500000111.8L104 V105 T107 Y125 F139L104-A134 WeakPolarHBondContact CA-O 3.46Å; L104-A134 WeakPolarHBondContact CD2-O 3.39Å; V105-A134 PolarHBondContact N-O 3.47Å; V105-A134 PolarHBondContact O-N 2.99Å; T107-A134 HydrophobicContact CG2-CB 3.8Å; Y125-A134 HydrophobicContact CD1-CB 3.81Å; Y125-A134 HydrophobicContact CE1-CB 3.94Å; A134-F139 HydrophobicContact CB-CD2 4.3Å; A134-F139 HydrophobicContact CB-CE2 4Å
135S75.9Confident64.5Low31 Ų3167.8 Ų67.822%0.21738%0.383CS..  trans-66.1150164.4-171.80000110E137 H138S135-E137 PolarHBondContact O-N 3.42Å; S135-H138 PolarHBondContact O-N 2.91Å
136R64.4Low61.6Low132 Ų13271.9 Ų71.950%0.49841%0.412SS..G310 helixtrans-66.3-19.8178-160.9175.9-164.3170.38.1112.8V105 H138 F139 L148V105-R136 HydrophobicContact CG2-CB 4.11Å; V105-R136 HydrophobicContact CG2-CG 4.11Å; R136-H138 VanDerWaalsContact C-N 3.31Å; R136-F139 PolarHBondContact O-N 3.23Å; R136-L148 PolarHBondContact NH1-O 2.95Å
137E60.4Low58.6Low145 Ų14579.5 Ų79.568%0.67845%0.448SS*.G310 helixtrans-75.8-19.2178.5-64.1173.114900112.8S135S135-E137 PolarHBondContact O-N 3.42Å
138H52.2Low55.8Low38 Ų3884.9 Ų84.918%0.17648%0.476CS..G310 helixtrans-93.31.7174.9-61.798.9000113.3D122 S135 R136D122-H138 PolarHBondContact O-NE2 3.24Å; S135-H138 PolarHBondContact O-N 2.91Å; R136-H138 VanDerWaalsContact C-N 3.31Å
139F45.9Very low52.8Low52 Ų5291.1 Ų91.123%0.22851%0.509CS..SBendtrans-98.5118.2174.2-94.5-84.4000110.8V105 T107 A134 R136V105-F139 HydrophobicContact CB-CD2 4.15Å; V105-F139 HydrophobicContact CB-CE2 3.81Å; V105-F139 HydrophobicContact CG1-CD2 4.29Å; V105-F139 HydrophobicContact CG1-CE2 3.83Å; V105-F139 HydrophobicContact CG1-CZ 4.1Å; T107-F139 HydrophobicContact CG2-CE2 3.75Å; T107-F139 HydrophobicContact CG2-CZ 3.63Å; A134-F139 HydrophobicContact CB-CD2 4.3Å; A134-F139 HydrophobicContact CB-CE2 4Å; R136-F139 PolarHBondContact O-N 3.23Å
140D41.5Very low50.1Low133 Ų13395.3 Ų95.371%0.71153%0.532SS*.  trans-61125167.9-166.7-2.5000109.6G142 I143D140-G142 PolarHBondContact O-N 2.85Å; D140-I143 PolarHBondContact O-N 3.45Å
141P32.8Very low47.5Very low126 Ų126101.2 Ų101.282%0.81854%0.536SS*.THydrogen-bonded Turntrans-62.3-5.7-167.3-28.237000117.2I143P141-I143 VanDerWaalsContact C-N 3.26Å; P141-I143 PolarHBondContact O-N 3.18Å
142G32.1Very low44.8Very low73 Ų7397.9 Ų97.975%0.75354%0.544SS*.THydrogen-bonded Turntrans-67.1-18.2178.700000115.2D140D140-G142 PolarHBondContact O-N 2.85Å
143I32.5Very low42Very low112 Ų112108.1 Ų108.157%0.57458%0.582SS**SBendtrans-116.496.6-168.3-54.8-176.2000112.6D140 P141D140-I143 PolarHBondContact O-N 3.45Å; P141-I143 VanDerWaalsContact C-N 3.26Å; P141-I143 PolarHBondContact O-N 3.18Å
144I28.2Very low39Very low135 Ų135111 Ų11169%0.69261%0.606SS**SBendtrans84.6118.6155.2-58.2169.7000119
145C26.4Very low36.5Very low92 Ų92117.7 Ų117.762%0.62264%0.641SS**  trans63.9100.5157.6-71.20000120.5H147C145-H147 VanDerWaalsContact C-N 3.34Å; C145-H147 PolarHBondContact O-N 3.45Å; C145-H147 VanDerWaalsContact O-N 3.14Å
146P26.8Very low34.3Very low111 Ų111124.1 Ų124.172%0.72167%0.672SS**  trans-88.242.3-179.838.4-37.6000114.4
147H27.9Very low32.5Very low163 Ų163121.4 Ų121.476%0.75568%0.678SS**  trans-125.265-172.4-64.1-25.5000114.1C145C145-H147 VanDerWaalsContact C-N 3.34Å; C145-H147 PolarHBondContact O-N 3.45Å; C145-H147 VanDerWaalsContact O-N 3.14Å
148L29.8Very low31Very low143 Ų143119.1 Ų119.175%0.74968%0.678SS**  trans-178.9111.7147-100.6159.9000107.9R136R136-L148 PolarHBondContact NH1-O 2.95Å
149L25.7Very low29.9Very low138 Ų138125.3 Ų125.372%0.72370%0.704SS**  trans-126.783.2-167.6-16399.6000112.2K151L149-K151 HydrophobicContact CD2-CG 4.17Å; L149-K151 PolarHBondContact O-N 2.66Å
150P28.1Very low29.4Very low111 Ų111130.8 Ų130.872%0.72174%0.735SS**  trans-76.6110.4163.530.6-29.3000109.2G152P150-G152 PolarHBondContact O-N 2.83Å
151K26.8Very low29Very low202 Ų202128.9 Ų128.988%0.87873%0.733SS**  trans-68.693.6169.9-72.5-178.7177.21780109.3L149L149-K151 HydrophobicContact CD2-CG 4.17Å; L149-K151 PolarHBondContact O-N 2.66Å
152G26.9Very low29.4Very low66 Ų66128.9 Ų128.968%0.6872%0.717SS**  trans-147.899-179.600000111.1P150 S154P150-G152 PolarHBondContact O-N 2.83Å; G152-S154 PolarHBondContact O-N 2.69Å
153R27.1Very low30.1Very low234 Ų234130.2 Ų130.288%0.88371%0.707SS**  trans-45.6125.6-172.9-67.6172172.5162.1-4.4113.5L155R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.33Å
154S25Very low30.8Very low92 Ų92132 Ų13264%0.64371%0.711SS**  trans-67.591.1155.6400000109G152 L156G152-S154 PolarHBondContact O-N 2.69Å; S154-L156 PolarHBondContact O-N 3.07Å
155L30.8Very low31.8Very low143 Ų143129 Ų12975%0.74970%0.698SS**  trans-80.897.6163.7-104.5161.1000107.8R153 A157R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.33Å; L155-A157 PolarHBondContact O-N 3.5Å
156L28.6Very low32.8Very low166 Ų166127.3 Ų127.387%0.86969%0.686SS**  trans-62.970.4159.1-96159.6000109.1S154 S158S154-L156 PolarHBondContact O-N 3.07Å; L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.38Å
157A27.1Very low34.1Very low75 Ų75126.2 Ų126.262%0.6267%0.673SS**  trans-78.879.7174.500000108.4L155 K159L155-A157 PolarHBondContact O-N 3.5Å; A157-K159 PolarHBondContact O-N 3.45Å
158S28.9Very low35.5Very low96 Ų96123.9 Ų123.967%0.67166%0.663SS**  trans-53.5101.9166.243.80000108.5L156 L160L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.38Å; S158-L160 PolarHBondContact O-N 3.12Å
159K29.3Very low36.4Very low168 Ų168122.8 Ų122.873%0.7365%0.652SS**  trans-83.263.2-164.9-157.8171.9-172.6173.60111.4A157 S161A157-K159 PolarHBondContact O-N 3.45Å; K159-S161 PolarHBondContact O-N 3.34Å
160L34.6Very low37.9Very low167 Ų167120.1 Ų120.187%0.87464%0.635SS**  trans-62.57.4-178-88.6163.1000115.2S158S158-L160 PolarHBondContact O-N 3.12Å
161S34.4Very low39.6Very low94 Ų94120.4 Ų120.466%0.65763%0.629SS**  trans-13593.9165.352.50000110.4K159 N163K159-S161 PolarHBondContact O-N 3.34Å; S161-N163 PolarHBondContact O-N 3.08Å
162Y40.7Very low41.3Very low126 Ų126113.2 Ų113.249%0.49461%0.608SS.*  trans-61.5121.1156.3-68.3-83.2000108F164 T166 L167 F170Y162-F164 PolarHBondContact O-N 3.14Å; Y162-T166 HydrophobicContact CD1-CG2 3.95Å; Y162-L167 HydrophobicContact CG-CG 4.41Å; Y162-F170 HydrophobicContact CE1-CE2 4.28Å
163N46.6Very low42.9Very low101 Ų101113 Ų11354%0.5459%0.591SS.*  trans-54141.5167.1-179.6-23.8000108.4S161 T165 T166 L167S161-N163 PolarHBondContact O-N 3.08Å; N163-T165 PolarHBondContact O-N 2.92Å; N163-T165 VanDerWaalsContact O-N 3.12Å; N163-T165 PolarHBondContact OD1-N 3.27Å; N163-T165 PolarHBondContact OD1-OG1 2.86Å; N163-T165 VanDerWaalsContact OD1-OG1 3.13Å; N163-T166 WeakPolarHBondContact O-CA 3.36Å; N163-T166 VanDerWaalsContact O-CB 3.32Å; N163-T166 WeakPolarHBondContact O-CB 3.47Å; N163-T166 PolarHBondContact O-N 3.47Å; N163-L167 PolarHBondContact O-N 3.18Å
164F46.8Very low44.9Very low149 Ų149109.1 Ų109.165%0.65458%0.581SS**Hα-helixtrans-47.5-40.2175.1-173.7-93.7000112.2Y162 T166 L167 Q168Y162-F164 PolarHBondContact O-N 3.14Å; F164-T166 PolarHBondContact O-N 3.42Å; F164-L167 PolarHBondContact O-N 3.23Å; F164-Q168 VanDerWaalsContact O-CB 3.28Å; F164-Q168 WeakPolarHBondContact O-CB 3.38Å; F164-Q168 PolarHBondContact O-N 3.23Å
165T49.2Very low46.8Very low71 Ų71111.3 Ų111.344%0.43658%0.581SS.*Hα-helixtrans-62.7-27.8175.9-32.60000113.3N163 K169N163-T165 PolarHBondContact O-N 2.92Å; N163-T165 VanDerWaalsContact O-N 3.12Å; N163-T165 PolarHBondContact OD1-N 3.27Å; N163-T165 PolarHBondContact OD1-OG1 2.86Å; N163-T165 VanDerWaalsContact OD1-OG1 3.13Å; T165-K169 WeakPolarHBondContact O-CB 3.3Å; T165-K169 WeakPolarHBondContact O-CD 3.47Å; T165-K169 WeakPolarHBondContact O-CG 3.48Å; T165-K169 PolarHBondContact O-N 3.29Å
166T48.6Very low48.4Very low58 Ų58107.1 Ų107.136%0.35657%0.566SS.*Hα-helixtrans-81.4-41.7176.5-49.50000111.4Y162 N163 F164 K169 F170Y162-T166 HydrophobicContact CD1-CG2 3.95Å; N163-T166 WeakPolarHBondContact O-CA 3.36Å; N163-T166 VanDerWaalsContact O-CB 3.32Å; N163-T166 WeakPolarHBondContact O-CB 3.47Å; N163-T166 PolarHBondContact O-N 3.47Å; F164-T166 PolarHBondContact O-N 3.42Å; T166-K169 PolarHBondContact O-N 3.07Å; T166-F170 HydrophobicContact CG2-CD2 4.36Å; T166-F170 PolarHBondContact O-N 3.08Å
167L53.4Low49.9Very low88 Ų88102.4 Ų102.446%0.46155%0.548SS..Hα-helixtrans-61.2-43.7172.6-85.5161.6000111.8Y162 N163 F164 K169 F170 L171Y162-L167 HydrophobicContact CG-CG 4.41Å; N163-L167 PolarHBondContact O-N 3.18Å; F164-L167 PolarHBondContact O-N 3.23Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.9Å; L167-F170 PolarHBondContact O-N 2.93Å; L167-F170 VanDerWaalsContact O-N 3.14Å; L167-L171 PolarHBondContact O-N 3.33Å
168Q56.1Low52.1Low114 Ų114105 Ų10553%0.53355%0.545SS..Hα-helixtrans-64.7-33.7177.7-161.6172.229.600112F164 A172F164-Q168 VanDerWaalsContact O-CB 3.28Å; F164-Q168 WeakPolarHBondContact O-CB 3.38Å; F164-Q168 PolarHBondContact O-N 3.23Å; Q168-A172 WeakPolarHBondContact O-CB 3.33Å; Q168-A172 PolarHBondContact O-N 2.96Å
169K49Very low54.1Low119 Ų119104.3 Ų104.352%0.51754%0.536SS..Hα-helixtrans-71-36.8170.5-76.5172.3-178.9-175.50112.9T165 T166 L167 A172 N173T165-K169 WeakPolarHBondContact O-CB 3.3Å; T165-K169 WeakPolarHBondContact O-CD 3.47Å; T165-K169 WeakPolarHBondContact O-CG 3.48Å; T165-K169 PolarHBondContact O-N 3.29Å; T166-K169 PolarHBondContact O-N 3.07Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.9Å; K169-A172 PolarHBondContact O-N 3.01Å; K169-N173 WeakPolarHBondContact O-CB 3.27Å; K169-N173 PolarHBondContact O-N 2.88Å
170F58Low55.8Low83 Ų83101.5 Ų101.536%0.36453%0.526SS..Hα-helixtrans-65.4-41.6173.9-105.4-76.3000112.2Y162 T166 L167 N173 K174Y162-F170 HydrophobicContact CE1-CE2 4.28Å; T166-F170 HydrophobicContact CG2-CD2 4.36Å; T166-F170 PolarHBondContact O-N 3.08Å; L167-F170 PolarHBondContact O-N 2.93Å; L167-F170 VanDerWaalsContact O-N 3.14Å; F170-N173 PolarHBondContact O-N 2.96Å; F170-K174 WeakPolarHBondContact O-CB 3.46Å; F170-K174 PolarHBondContact O-N 2.78Å
171L63.4Low57.5Low116 Ų11699 Ų9961%0.60751%0.513SS*.Hα-helixtrans-59.6-51.9172-82.6163.2000111.2L167 N173 K174 E175L167-L171 PolarHBondContact O-N 3.33Å; L171-N173 VanDerWaalsContact C-N 3.29Å; L171-N173 PolarHBondContact O-N 2.86Å; L171-K174 PolarHBondContact O-N 2.86Å; L171-K174 VanDerWaalsContact O-N 3.09Å; L171-E175 PolarHBondContact O-N 2.92Å
172A63.6Low59.3Low52 Ų5299.3 Ų99.343%0.4350%0.504SS..Hα-helixtrans-58.6-38.1177.600000112.9Q168 K169 A176Q168-A172 WeakPolarHBondContact O-CB 3.33Å; Q168-A172 PolarHBondContact O-N 2.96Å; K169-A172 PolarHBondContact O-N 3.01Å; A172-A176 VanDerWaalsContact O-CB 3.22Å; A172-A176 WeakPolarHBondContact O-CB 3.34Å; A172-A176 PolarHBondContact O-N 3.39Å
173N60.7Low60.7Low61 Ų61101.1 Ų101.133%0.32651%0.51SS..Hα-helixtrans-70.3-37.4174.6-81.1-3000112.8I44 K169 F170 L171 E175 S177I44-N173 WeakPolarHBondContact CG2-OD1 3.43Å; K169-N173 WeakPolarHBondContact O-CB 3.27Å; K169-N173 PolarHBondContact O-N 2.88Å; F170-N173 PolarHBondContact O-N 2.96Å; L171-N173 VanDerWaalsContact C-N 3.29Å; L171-N173 PolarHBondContact O-N 2.86Å; N173-E175 VanDerWaalsContact C-N 3.34Å; N173-S177 WeakPolarHBondContact O-CB 3.21Å; N173-S177 PolarHBondContact O-N 3.03Å
174K67.9Low61.8Low152 Ų15299.9 Ų99.966%0.66150%0.502SS*.Hα-helixtrans-63.8-41.9174.5-173.2173.1-177.4173.40110.8F170 L171 K178F170-K174 WeakPolarHBondContact O-CB 3.46Å; F170-K174 PolarHBondContact O-N 2.78Å; L171-K174 PolarHBondContact O-N 2.86Å; L171-K174 VanDerWaalsContact O-N 3.09Å; K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.11Å
175E65.9Low63Low139 Ų13995.4 Ų95.465%0.6549%0.49SS*.Hα-helixtrans-68.1-47.2176.4-124.9167.3-171.900112L171 N173 S177 K178 V179L171-E175 PolarHBondContact O-N 2.92Å; N173-E175 VanDerWaalsContact C-N 3.34Å; E175-S177 VanDerWaalsContact C-N 3.33Å; E175-S177 PolarHBondContact O-N 2.87Å; E175-K178 PolarHBondContact O-N 3.09Å; E175-V179 WeakPolarHBondContact O-CG2 3.42Å; E175-V179 PolarHBondContact O-N 2.84Å
176A62.7Low64.1Low54 Ų5497.1 Ų97.145%0.44649%0.489SS..Hα-helixtrans-62.4-38.4175.700000112.5A172 V179 Q180A172-A176 VanDerWaalsContact O-CB 3.22Å; A172-A176 WeakPolarHBondContact O-CB 3.34Å; A172-A176 PolarHBondContact O-N 3.39Å; A176-V179 PolarHBondContact O-N 2.9Å; A176-Q180 WeakPolarHBondContact O-CB 3.32Å; A176-Q180 VanDerWaalsContact O-CG 3.27Å; A176-Q180 WeakPolarHBondContact O-CG 3.2Å; A176-Q180 PolarHBondContact O-N 3.31Å
177S61.3Low65Low68 Ų6899.6 Ų99.648%0.47650%0.498SS..Hα-helixtrans-65.2-44173.9-173.50000111.4N173 E175 V179 Q180 L181N173-S177 WeakPolarHBondContact O-CB 3.21Å; N173-S177 PolarHBondContact O-N 3.03Å; E175-S177 VanDerWaalsContact C-N 3.33Å; E175-S177 PolarHBondContact O-N 2.87Å; S177-V179 PolarHBondContact O-N 3.42Å; S177-Q180 WeakPolarHBondContact O-CB 3.24Å; S177-Q180 PolarHBondContact O-N 3.15Å; S177-L181 WeakPolarHBondContact O-CB 3.4Å; S177-L181 PolarHBondContact O-N 2.97Å
178K73.3Confident65.8Low129 Ų129101.4 Ų101.456%0.56150%0.504SS*.Hα-helixtrans-60.5-44.2174.9-165176.8-170.8-91.80111.8K174 E175 Q180 L181 E182K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.11Å; E175-K178 PolarHBondContact O-N 3.09Å; K178-Q180 VanDerWaalsContact C-N 3.33Å; K178-Q180 PolarHBondContact O-N 3.24Å; K178-L181 PolarHBondContact O-N 3.22Å; K178-E182 IonicContact NZ-OE1 2.8Å; K178-E182 PolarHBondContact NZ-OE1 2.93Å; K178-E182 WeakPolarHBondContact O-CB 3.48Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.49Å
179V71Confident66.5Low81 Ų81101 Ų10149%0.49151%0.505SS..Hα-helixtrans-65-33.9175.8171.50000112.2E175 A176 S177 R183E175-V179 WeakPolarHBondContact O-CG2 3.42Å; E175-V179 PolarHBondContact O-N 2.84Å; A176-V179 PolarHBondContact O-N 2.9Å; S177-V179 PolarHBondContact O-N 3.42Å; V179-R183 WeakPolarHBondContact O-CB 3.42Å; V179-R183 PolarHBondContact O-N 3.12Å
180Q64.1Low67.6Low110 Ų11098.5 Ų98.551%0.51450%0.497SS..Hα-helixtrans-67.2-45.7171.1-75-8019.100111.7A176 S177 K178 R183 I184A176-Q180 WeakPolarHBondContact O-CB 3.32Å; A176-Q180 VanDerWaalsContact O-CG 3.27Å; A176-Q180 WeakPolarHBondContact O-CG 3.2Å; A176-Q180 PolarHBondContact O-N 3.31Å; S177-Q180 WeakPolarHBondContact O-CB 3.24Å; S177-Q180 PolarHBondContact O-N 3.15Å; K178-Q180 VanDerWaalsContact C-N 3.33Å; K178-Q180 PolarHBondContact O-N 3.24Å; Q180-R183 CarbonylContact O-C 3.58Å; Q180-R183 WeakPolarHBondContact O-CB 3.28Å; Q180-R183 PolarHBondContact O-N 3.47Å; Q180-I184 VanDerWaalsContact O-CG1 3.29Å; Q180-I184 WeakPolarHBondContact O-CG1 3.32Å; Q180-I184 PolarHBondContact O-N 3.27Å
181L70.2Confident67.6Low114 Ų11497.2 Ų97.260%0.59750%0.502SS*.Hα-helixtrans-64.5-43178.7-114.2160.3000112.2S177 K178 R183 I184 S185S177-L181 WeakPolarHBondContact O-CB 3.4Å; S177-L181 PolarHBondContact O-N 2.97Å; K178-L181 PolarHBondContact O-N 3.22Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.25Å; L181-I184 PolarHBondContact O-N 2.91Å; L181-S185 WeakPolarHBondContact O-CB 3.03Å; L181-S185 PolarHBondContact O-N 3.49Å
182E73.8Confident67.8Low100 Ų10094.4 Ų94.447%0.46749%0.492SS..Hα-helixtrans-61.6-40.8171.8-73.9172.7-173.700111.1K178 Y186K178-E182 IonicContact NZ-OE1 2.8Å; K178-E182 PolarHBondContact NZ-OE1 2.93Å; K178-E182 WeakPolarHBondContact O-CB 3.48Å; K178-E182 WeakPolarHBondContact O-CG 3.36Å; K178-E182 PolarHBondContact O-N 3.49Å; E182-Y186 WeakPolarHBondContact O-CB 3.44Å; E182-Y186 PolarHBondContact O-N 2.69Å
183R68.8Low68.1Low164 Ų16493.3 Ų93.362%0.61949%0.486SS*.Hα-helixtrans-63.3-41.5171.7-96.6-177.1163.6-173.5-4.1113.2V179 Q180 L181 Y186 M187V179-R183 WeakPolarHBondContact O-CB 3.42Å; V179-R183 PolarHBondContact O-N 3.12Å; Q180-R183 CarbonylContact O-C 3.58Å; Q180-R183 WeakPolarHBondContact O-CB 3.28Å; Q180-R183 PolarHBondContact O-N 3.47Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.25Å; R183-Y186 PolarHBondContact O-N 2.96Å; R183-M187 WeakPolarHBondContact O-CB 3.42Å; R183-M187 VanDerWaalsContact O-CG 3.27Å; R183-M187 WeakPolarHBondContact O-CG 3.4Å; R183-M187 PolarHBondContact O-N 3.16Å
184I70.2Confident68.1Low75 Ų7595.8 Ų95.839%0.38550%0.499SS..Hα-helixtrans-68.5-46.1-179.2-71.8163.9000110Q180 L181 Y186 M187 Q188Q180-I184 VanDerWaalsContact O-CG1 3.29Å; Q180-I184 WeakPolarHBondContact O-CG1 3.32Å; Q180-I184 PolarHBondContact O-N 3.27Å; L181-I184 PolarHBondContact O-N 2.91Å; I184-Y186 VanDerWaalsContact C-N 3.34Å; I184-Y186 PolarHBondContact O-N 2.76Å; I184-M187 HydrophobicContact CG1-CE 4.09Å; I184-M187 PolarHBondContact O-N 3.03Å; I184-M187 VanDerWaalsContact O-N 3.15Å; I184-Q188 WeakPolarHBondContact O-CB 2.96Å; I184-Q188 WeakPolarHBondContact O-CG 2.89Å; I184-Q188 PolarHBondContact O-N 3.19Å
185S71.7Confident67.6Low56 Ų5695.5 Ų95.539%0.39250%0.499SS..Hα-helixtrans-59.2-43.8172.8178.10000111.7L181 M187 Q188 N189L181-S185 WeakPolarHBondContact O-CB 3.03Å; L181-S185 PolarHBondContact O-N 3.49Å; S185-M187 PolarHBondContact O-N 3.14Å; S185-Q188 PolarHBondContact O-N 3.19Å; S185-N189 WeakPolarHBondContact O-CB 3.46Å; S185-N189 PolarHBondContact O-N 2.91Å; S185-N189 PolarHBondContact O-ND2 2.8Å; S185-N189 PolarHBondContact OG-ND2 2.8Å
186Y73.2Confident67.5Low106 Ų10691.6 Ų91.642%0.41649%0.488SS..Hα-helixtrans-62.4-38.6173.7171.7-94.6000112.9E182 R183 I184 L190 R221E182-Y186 WeakPolarHBondContact O-CB 3.44Å; E182-Y186 PolarHBondContact O-N 2.69Å; R183-Y186 PolarHBondContact O-N 2.96Å; I184-Y186 VanDerWaalsContact C-N 3.34Å; I184-Y186 PolarHBondContact O-N 2.76Å; Y186-L190 HydrophobicContact CD1-CD1 3.84Å; Y186-L190 HydrophobicContact CE1-CD1 3.43Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.43Å; Y186-L190 HydrophobicContact CE2-CD1 4.47Å; Y186-L190 WeakPolarHBondContact O-CB 3.28Å; Y186-L190 WeakPolarHBondContact O-CG 3.41Å; Y186-L190 PolarHBondContact O-N 2.84Å; Y186-R221 PolarHBondContact OH-NE 3.49Å; Y186-R221 PolarHBondContact OH-NH1 3.35Å
187M66.1Low67.2Low110 Ų11090.8 Ų90.854%0.54248%0.479SS..Hα-helixtrans-71.2-37.2174.7-74.8-174-58.200112.6R183 I184 S185 L190 A191R183-M187 WeakPolarHBondContact O-CB 3.42Å; R183-M187 VanDerWaalsContact O-CG 3.27Å; R183-M187 WeakPolarHBondContact O-CG 3.4Å; R183-M187 PolarHBondContact O-N 3.16Å; I184-M187 HydrophobicContact CG1-CE 4.09Å; I184-M187 PolarHBondContact O-N 3.03Å; I184-M187 VanDerWaalsContact O-N 3.15Å; S185-M187 PolarHBondContact O-N 3.14Å; M187-L190 PolarHBondContact O-N 3.11Å; M187-A191 WeakPolarHBondContact O-CB 3.43Å; M187-A191 PolarHBondContact O-N 3.09Å
188Q70Confident66.7Low127 Ų12792.4 Ų92.459%0.59348%0.481SS*.Hα-helixtrans-65.7-41.3173.5-74.9174-36.500111.3I184 S185 A191 S192I184-Q188 WeakPolarHBondContact O-CB 2.96Å; I184-Q188 WeakPolarHBondContact O-CG 2.89Å; I184-Q188 PolarHBondContact O-N 3.19Å; S185-Q188 PolarHBondContact O-N 3.19Å; Q188-A191 PolarHBondContact O-N 3.3Å; Q188-S192 PolarHBondContact O-N 3.08Å; Q188-S192 PolarHBondContact O-OG 3.5Å
189N72.2Confident65.7Low104 Ų10493.4 Ų93.456%0.55649%0.488SS*.Hα-helixtrans-68.1-31.5173.4-73.9-47000112.9S185 S192 G193S185-N189 WeakPolarHBondContact O-CB 3.46Å; S185-N189 PolarHBondContact O-N 2.91Å; S185-N189 PolarHBondContact O-ND2 2.8Å; S185-N189 PolarHBondContact OG-ND2 2.8Å; N189-S192 PolarHBondContact O-OG 3.06Å; N189-G193 PolarHBondContact O-N 2.89Å
190L72.1Confident64.5Low67 Ų6789.8 Ų89.835%0.35147%0.466SS..Hα-helixtrans-70.2-35.7168.5-79.5170.5000112.3Y186 M187 G193 L194Y186-L190 HydrophobicContact CD1-CD1 3.84Å; Y186-L190 HydrophobicContact CE1-CD1 3.43Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.43Å; Y186-L190 HydrophobicContact CE2-CD1 4.47Å; Y186-L190 WeakPolarHBondContact O-CB 3.28Å; Y186-L190 WeakPolarHBondContact O-CG 3.41Å; Y186-L190 PolarHBondContact O-N 2.84Å; M187-L190 PolarHBondContact O-N 3.11Å; L190-G193 PolarHBondContact O-N 3.06Å; L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 PolarHBondContact O-N 2.97Å
191A58.2Low63.7Low56 Ų5689.7 Ų89.746%0.46347%0.469SS..Hα-helixtrans-69.9-45.5178.100000111.9M187 Q188 G193 L194 Q195M187-A191 WeakPolarHBondContact O-CB 3.43Å; M187-A191 PolarHBondContact O-N 3.09Å; Q188-A191 PolarHBondContact O-N 3.3Å; A191-G193 VanDerWaalsContact C-N 3.34Å; A191-L194 PolarHBondContact O-N 2.98Å; A191-Q195 WeakPolarHBondContact O-CB 3.48Å; A191-Q195 PolarHBondContact O-N 2.93Å
192S67.2Low62.6Low57 Ų5792.9 Ų92.940%0.39948%0.478SS..Hα-helixtrans-67-35.1172.763.20000111.8Q188 N189 Q195 S196Q188-S192 PolarHBondContact O-N 3.08Å; Q188-S192 PolarHBondContact O-OG 3.5Å; N189-S192 PolarHBondContact O-OG 3.06Å; S192-Q195 PolarHBondContact O-N 3Å; S192-S196 VanDerWaalsContact O-CB 3.31Å; S192-S196 WeakPolarHBondContact O-CB 3.25Å; S192-S196 PolarHBondContact O-N 3.19Å; S192-S196 PolarHBondContact O-OG 2.8Å
193G68.6Low61.1Low29 Ų2991 Ų9130%0.29948%0.476SS..Hα-helixtrans-61.6-39.1169.600000113.5N189 L190 A191 S196 S197N189-G193 PolarHBondContact O-N 2.89Å; L190-G193 PolarHBondContact O-N 3.06Å; A191-G193 VanDerWaalsContact C-N 3.34Å; G193-S196 PolarHBondContact O-OG 2.74Å; G193-S197 WeakPolarHBondContact O-CB 3.39Å; G193-S197 PolarHBondContact O-N 3.14Å; G193-S197 VanDerWaalsContact O-N 3.07Å; G193-S197 PolarHBondContact O-OG 2.97Å
194L61.4Low59.9Low114 Ų11492.5 Ų92.560%0.59749%0.49SS*.Hα-helixtrans-70.8-46.8174.1-96.1163000112L190 A191 S196 S197 L198L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 PolarHBondContact O-N 2.97Å; A191-L194 PolarHBondContact O-N 2.98Å; L194-S196 PolarHBondContact O-N 3.18Å; L194-S197 PolarHBondContact O-N 2.89Å; L194-S197 VanDerWaalsContact O-N 3.08Å; L194-L198 WeakPolarHBondContact O-CG 3.5Å; L194-L198 PolarHBondContact O-N 2.8Å
195Q58Low58.8Low145 Ų14591.7 Ų91.768%0.67850%0.501SS*.Hα-helixtrans-59.1-46.7178.3-173.5177.73.400111.3A191 S192 S197 H199A191-Q195 WeakPolarHBondContact O-CB 3.48Å; A191-Q195 PolarHBondContact O-N 2.93Å; S192-Q195 PolarHBondContact O-N 3Å; Q195-S197 VanDerWaalsContact C-N 3.29Å; Q195-S197 PolarHBondContact O-N 3.34Å; Q195-H199 WeakPolarHBondContact O-CB 3.12Å; Q195-H199 PolarHBondContact O-N 2.99Å
196S63Low57.8Low57 Ų5792.2 Ų92.240%0.39950%0.498SS..Hα-helixtrans-70.9-20.1175.660.70000113.8S192 G193 L194 S200 R210S192-S196 VanDerWaalsContact O-CB 3.31Å; S192-S196 WeakPolarHBondContact O-CB 3.25Å; S192-S196 PolarHBondContact O-N 3.19Å; S192-S196 PolarHBondContact O-OG 2.8Å; G193-S196 PolarHBondContact O-OG 2.74Å; L194-S196 PolarHBondContact O-N 3.18Å; S196-S200 PolarHBondContact O-N 3.28Å; S196-S200 PolarHBondContact O-OG 3.46Å; S196-R210 VanDerWaalsContact C-NH1 3.29Å; S196-R210 PolarHBondContact O-NH1 2.86Å
197S57.3Low56.8Low38 Ų3889.1 Ų89.127%0.26649%0.494SS..Hα-helixtrans-85.1-37.4175.4-63.30000112.9G193 L194 Q195 H199 S200 L201 R210G193-S197 WeakPolarHBondContact O-CB 3.39Å; G193-S197 PolarHBondContact O-N 3.14Å; G193-S197 VanDerWaalsContact O-N 3.07Å; G193-S197 PolarHBondContact O-OG 2.97Å; L194-S197 PolarHBondContact O-N 2.89Å; L194-S197 VanDerWaalsContact O-N 3.08Å; Q195-S197 VanDerWaalsContact C-N 3.29Å; Q195-S197 PolarHBondContact O-N 3.34Å; S197-H199 VanDerWaalsContact C-N 3.29Å; S197-H199 PolarHBondContact O-N 2.77Å; S197-S200 WeakPolarHBondContact CA-OG 3.49Å; S197-S200 PolarHBondContact O-N 3.29Å; S197-S200 VanDerWaalsContact O-N 3.16Å; S197-S200 PolarHBondContact O-OG 2.9Å; S197-L201 PolarHBondContact O-N 2.9Å; S197-R210 VanDerWaalsContact CA-NH1 3.31Å; S197-R210 PolarHBondContact OG-NH1 2.84Å; S197-R210 VanDerWaalsContact OG-NH1 3.15Å
198L50.3Low56.5Low101 Ų10189.1 Ų89.153%0.52950%0.501SS..Hα-helixtrans-56.1-47.1163.4-73167000110.1L194 S200 L201 F202L194-L198 WeakPolarHBondContact O-CG 3.5Å; L194-L198 PolarHBondContact O-N 2.8Å; L198-S200 PolarHBondContact O-N 3.3Å; L198-S200 VanDerWaalsContact O-N 3.12Å; L198-L201 PolarHBondContact O-N 2.87Å; L198-L201 VanDerWaalsContact O-N 3.13Å; L198-F202 WeakPolarHBondContact O-CD2 3.34Å
199H52.2Low55.9Low150 Ų15089.9 Ų89.969%0.69450%0.504SS*.Hα-helixtrans-63.2-20.3179-140.2-46.2000114.3Q195 S197Q195-H199 WeakPolarHBondContact O-CB 3.12Å; Q195-H199 PolarHBondContact O-N 2.99Å; S197-H199 VanDerWaalsContact C-N 3.29Å; S197-H199 PolarHBondContact O-N 2.77Å
200S46.1Very low55.3Low6 Ų689.4 Ų89.44%0.04250%0.495CS..Hα-helixtrans-96.6-16.6175.868.50000115.1S196 S197 L198 F202 S203 R210S196-S200 PolarHBondContact O-N 3.28Å; S196-S200 PolarHBondContact O-OG 3.46Å; S197-S200 WeakPolarHBondContact CA-OG 3.49Å; S197-S200 PolarHBondContact O-N 3.29Å; S197-S200 VanDerWaalsContact O-N 3.16Å; S197-S200 PolarHBondContact O-OG 2.9Å; L198-S200 PolarHBondContact O-N 3.3Å; L198-S200 VanDerWaalsContact O-N 3.12Å; S200-F202 PolarHBondContact O-N 3.22Å; S200-S203 PolarHBondContact O-N 3.41Å; S200-S203 VanDerWaalsContact O-N 3.14Å; S200-S203 PolarHBondContact O-OG 3.06Å; S200-R210 VanDerWaalsContact OG-CZ 3.26Å; S200-R210 PolarHBondContact OG-NH1 3.14Å
201L47.1Very low55Low107 Ų10791.6 Ų91.656%0.5651%0.506SS*.Hα-helixtrans-68.2-25.3170.4-83.8161.1000111.3S197 L198 S203 A207S197-L201 PolarHBondContact O-N 2.9Å; L198-L201 PolarHBondContact O-N 2.87Å; L198-L201 VanDerWaalsContact O-N 3.13Å; L201-S203 PolarHBondContact O-N 3.45Å; L201-A207 HydrophobicContact CD2-CB 3.86Å
202F46.3Very low55.7Low181 Ų18191.4 Ų91.479%0.79451%0.505SS*.THydrogen-bonded Turntrans-77.33.9170.6-63-68.9000114.5L198 S200L198-F202 WeakPolarHBondContact O-CD2 3.34Å; S200-F202 PolarHBondContact O-N 3.22Å
203S42.8Very low56Low61 Ų6194.1 Ų94.143%0.42751%0.514SS..THydrogen-bonded Turntrans-132.335.8179.954.70000115S200 L201 G205S200-S203 PolarHBondContact O-N 3.41Å; S200-S203 VanDerWaalsContact O-N 3.14Å; S200-S203 PolarHBondContact O-OG 3.06Å; L201-S203 PolarHBondContact O-N 3.45Å; S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 2.49Å
204Q43.5Very low56.2Low195 Ų19595.3 Ų95.391%0.91152%0.521SS*.SBendtrans54.4-21.3151.2-76.7178.6-35.200122.2
205G48.3Very low56.9Low59 Ų5994.6 Ų94.661%0.60852%0.517SS*.SBendtrans-107-22.8175.400000114.5S203 A207S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 2.49Å; G205-A207 PolarHBondContact O-N 2.63Å
206I49.1Very low57.9Low66 Ų6692 Ų9234%0.33851%0.507SS..SBendtrans-87.7-9.2-165-60.8166.9000112.7T208 R210I206-T208 PolarHBondContact O-N 3.31Å; I206-R210 HydrophobicContact CG2-CG 3.87Å; I206-R210 PolarHBondContact O-N 3.44Å
207A54.1Low58.7Low41 Ų4191.1 Ų91.134%0.33950%0.501SS..Hα-helixtrans-67.3-37.6-170.800000114.6L201 G205 L211L201-A207 HydrophobicContact CD2-CB 3.86Å; G205-A207 PolarHBondContact O-N 2.63Å; A207-L211 PolarHBondContact O-N 2.96Å
208T58.4Low59.9Low111 Ų11193.3 Ų93.368%0.68151%0.512SS*.Hα-helixtrans-79.6-45.4-173.743.70000112.9I206 L211 A212I206-T208 PolarHBondContact O-N 3.31Å; T208-L211 VanDerWaalsContact O-CB 3.3Å; T208-L211 WeakPolarHBondContact O-CB 3.43Å; T208-L211 PolarHBondContact O-N 3.35Å; T208-L211 VanDerWaalsContact O-N 3.14Å; T208-A212 PolarHBondContact O-N 3.07Å
209E57.8Low61.6Low142 Ų14294.7 Ų94.766%0.66451%0.514SS*.Hα-helixtrans-67.6-39.8-178.5-170.9172.5-14000111.9L211 A212 I213E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 3.01Å; E209-A212 PolarHBondContact O-N 3.07Å; E209-I213 HydrophobicContact CG-CD1 4.23Å; E209-I213 WeakPolarHBondContact O-CG1 3.34Å; E209-I213 PolarHBondContact O-N 3.42Å
210R59.8Low62.9Low95 Ų9594.3 Ų94.336%0.35851%0.513SS..Hα-helixtrans-64.3-30.8171.5-69-166-173.7-171.914.5112.8S196 S197 S200 I206 A214S196-R210 VanDerWaalsContact C-NH1 3.29Å; S196-R210 PolarHBondContact O-NH1 2.86Å; S197-R210 VanDerWaalsContact CA-NH1 3.31Å; S197-R210 PolarHBondContact OG-NH1 2.84Å; S197-R210 VanDerWaalsContact OG-NH1 3.15Å; S200-R210 VanDerWaalsContact OG-CZ 3.26Å; S200-R210 PolarHBondContact OG-NH1 3.14Å; I206-R210 HydrophobicContact CG2-CG 3.87Å; I206-R210 PolarHBondContact O-N 3.44Å; R210-A214 VanDerWaalsContact O-CB 3.26Å; R210-A214 WeakPolarHBondContact O-CB 3.36Å; R210-A214 PolarHBondContact O-N 3.4Å
211L66.6Low64.5Low113 Ų11398.6 Ų98.659%0.59253%0.528SS*.Hα-helixtrans-67.1-42.5173.9-150.6100.6000111.3A207 T208 E209 A214 I215A207-L211 PolarHBondContact O-N 2.96Å; T208-L211 VanDerWaalsContact O-CB 3.3Å; T208-L211 WeakPolarHBondContact O-CB 3.43Å; T208-L211 PolarHBondContact O-N 3.35Å; T208-L211 VanDerWaalsContact O-N 3.14Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 3.01Å; L211-A214 PolarHBondContact O-N 3.04Å; L211-I215 HydrophobicContact CD2-CD1 4.07Å; L211-I215 HydrophobicContact CG-CD1 4.44Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.33Å
212A72Confident66.3Low52 Ų5297 Ų9743%0.4352%0.523SS..Hα-helixtrans-62.9-47.9176.400000111.9T208 E209 A214 I215 D216T208-A212 PolarHBondContact O-N 3.07Å; E209-A212 PolarHBondContact O-N 3.07Å; A212-A214 VanDerWaalsContact C-N 3.3Å; A212-A214 PolarHBondContact O-N 2.99Å; A212-I215 PolarHBondContact O-N 3.37Å; A212-I215 VanDerWaalsContact O-N 3.12Å; A212-D216 PolarHBondContact O-N 3.36Å
213I73.4Confident68.1Low114 Ų11493.3 Ų93.359%0.58551%0.508SS*.Hα-helixtrans-62-38.3176.9-65.1167.2000111.1E209 S217E209-I213 HydrophobicContact CG-CD1 4.23Å; E209-I213 WeakPolarHBondContact O-CG1 3.34Å; E209-I213 PolarHBondContact O-N 3.42Å; I213-S217 VanDerWaalsContact O-CB 3.3Å; I213-S217 WeakPolarHBondContact O-CB 3.17Å; I213-S217 PolarHBondContact O-N 3.26Å
214A73.7Confident70Confident54 Ų5494.7 Ų94.745%0.44651%0.514SS..Hα-helixtrans-64.8-40.9173.900000112.3R210 L211 A212 S217 V218R210-A214 VanDerWaalsContact O-CB 3.26Å; R210-A214 WeakPolarHBondContact O-CB 3.36Å; R210-A214 PolarHBondContact O-N 3.4Å; L211-A214 PolarHBondContact O-N 3.04Å; A212-A214 VanDerWaalsContact C-N 3.3Å; A212-A214 PolarHBondContact O-N 2.99Å; A214-S217 PolarHBondContact O-N 3.22Å; A214-V218 WeakPolarHBondContact O-CG2 3.49Å; A214-V218 PolarHBondContact O-N 2.93Å
215I75.1Confident72Confident99 Ų9990.4 Ų90.451%0.50850%0.497SS..Hα-helixtrans-63.4-49177.4-73.9164.5000111.3L211 A212 S217 V218 K219L211-I215 HydrophobicContact CD2-CD1 4.07Å; L211-I215 HydrophobicContact CG-CD1 4.44Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.33Å; A212-I215 PolarHBondContact O-N 3.37Å; A212-I215 VanDerWaalsContact O-N 3.12Å; I215-S217 VanDerWaalsContact C-N 3.34Å; I215-S217 PolarHBondContact O-N 3.49Å; I215-V218 PolarHBondContact O-N 3.34Å; I215-K219 WeakPolarHBondContact O-CB 3.5Å; I215-K219 PolarHBondContact O-N 2.83Å
216D80Confident73.8Confident90 Ų9093.2 Ų93.248%0.48149%0.493SS..Hα-helixtrans-68.5-32.8178.2-86.7-34000112.1A212 K219 Q220A212-D216 PolarHBondContact O-N 3.36Å; D216-K219 PolarHBondContact O-N 3.18Å; D216-K219 WeakPolarHBondContact OD1-CD 3.44Å; D216-K219 IonicContact OD1-NZ 3.21Å; D216-K219 PolarHBondContact OD1-NZ 3.05Å; D216-Q220 WeakPolarHBondContact O-CB 3.47Å; D216-Q220 PolarHBondContact O-N 2.93Å
217S79.7Confident75.6Confident38 Ų3898 Ų9827%0.26651%0.507SS..Hα-helixtrans-62.7-42.3171.1-165.60000112.1I213 A214 I215 R221I213-S217 VanDerWaalsContact O-CB 3.3Å; I213-S217 WeakPolarHBondContact O-CB 3.17Å; I213-S217 PolarHBondContact O-N 3.26Å; A214-S217 PolarHBondContact O-N 3.22Å; I215-S217 VanDerWaalsContact C-N 3.34Å; I215-S217 PolarHBondContact O-N 3.49Å; S217-R221 WeakPolarHBondContact O-CB 3.44Å; S217-R221 VanDerWaalsContact O-CD 3.32Å; S217-R221 WeakPolarHBondContact O-CD 3.38Å; S217-R221 WeakPolarHBondContact O-CG 3.46Å; S217-R221 PolarHBondContact O-N 3.23Å; S217-R221 VanDerWaalsContact O-N 3.07Å; S217-R221 PolarHBondContact OG-NE 2.86Å; S217-R221 PolarHBondContact OG-NH2 2.81Å
218V81.8Confident77.1Confident84 Ų8498.7 Ų98.751%0.50951%0.51SS..Hα-helixtrans-62.5-47.9173.5167.60000110.7A214 I215 Q220 R221 T222A214-V218 WeakPolarHBondContact O-CG2 3.49Å; A214-V218 PolarHBondContact O-N 2.93Å; I215-V218 PolarHBondContact O-N 3.34Å; V218-Q220 PolarHBondContact O-N 2.88Å; V218-R221 CarbonylContact O-C 3.43Å; V218-R221 WeakPolarHBondContact O-CB 3.41Å; V218-R221 PolarHBondContact O-N 2.7Å; V218-T222 PolarHBondContact O-N 2.61Å; V218-T222 PolarHBondContact O-OG1 2.81Å
219K85.3Confident78.5Confident130 Ų13097.3 Ų97.357%0.56550%0.497SS*.Hα-helixtrans-59.7-43.3179.6-175.3-177.4172.7-169.10112.8I215 D216 T222 E223I215-K219 WeakPolarHBondContact O-CB 3.5Å; I215-K219 PolarHBondContact O-N 2.83Å; D216-K219 PolarHBondContact O-N 3.18Å; D216-K219 WeakPolarHBondContact OD1-CD 3.44Å; D216-K219 IonicContact OD1-NZ 3.21Å; D216-K219 PolarHBondContact OD1-NZ 3.05Å; K219-T222 WeakPolarHBondContact O-CB 3.32Å; K219-T222 PolarHBondContact O-N 3.45Å; K219-E223 PolarHBondContact O-N 2.86Å
220Q79.4Confident79.9Confident142 Ų14293.3 Ų93.366%0.66449%0.485SS*.Hα-helixtrans-65.5-40.2175.6-166-17929.500111.9D216 V218 T222 T224D216-Q220 WeakPolarHBondContact O-CB 3.47Å; D216-Q220 PolarHBondContact O-N 2.93Å; V218-Q220 PolarHBondContact O-N 2.88Å; Q220-T222 VanDerWaalsContact C-N 3.34Å; Q220-T224 PolarHBondContact O-N 2.77Å; Q220-T224 VanDerWaalsContact O-N 3.08Å; Q220-T224 PolarHBondContact O-OG1 2.8Å
221R80.9Confident81.2Confident96 Ų9692.5 Ų92.536%0.36249%0.488SS..Hα-helixtrans-62.6-39.3171.7-69.3164.1-172.7-175.6-0.2111.6Y186 S217 V218 T224 L225Y186-R221 PolarHBondContact OH-NE 3.49Å; Y186-R221 PolarHBondContact OH-NH1 3.35Å; S217-R221 WeakPolarHBondContact O-CB 3.44Å; S217-R221 VanDerWaalsContact O-CD 3.32Å; S217-R221 WeakPolarHBondContact O-CD 3.38Å; S217-R221 WeakPolarHBondContact O-CG 3.46Å; S217-R221 PolarHBondContact O-N 3.23Å; S217-R221 VanDerWaalsContact O-N 3.07Å; S217-R221 PolarHBondContact OG-NE 2.86Å; S217-R221 PolarHBondContact OG-NH2 2.81Å; V218-R221 CarbonylContact O-C 3.43Å; V218-R221 WeakPolarHBondContact O-CB 3.41Å; V218-R221 PolarHBondContact O-N 2.7Å; R221-T224 PolarHBondContact O-N 2.9Å; R221-L225 WeakPolarHBondContact O-CB 3.36Å; R221-L225 PolarHBondContact O-N 2.93Å
222T84.1Confident82.2Confident75 Ų7589.8 Ų89.846%0.4648%0.481SS..Hα-helixtrans-62.8-46.8177.1-58.20000112.2V218 K219 Q220 T224 L225 K226V218-T222 PolarHBondContact O-N 2.61Å; V218-T222 PolarHBondContact O-OG1 2.81Å; K219-T222 WeakPolarHBondContact O-CB 3.32Å; K219-T222 PolarHBondContact O-N 3.45Å; Q220-T222 VanDerWaalsContact C-N 3.34Å; T222-T224 VanDerWaalsContact C-N 3.31Å; T222-T224 PolarHBondContact O-N 2.89Å; T222-L225 WeakPolarHBondContact O-CB 3.47Å; T222-L225 PolarHBondContact O-N 2.89Å; T222-K226 WeakPolarHBondContact O-CB 3.37Å; T222-K226 PolarHBondContact O-N 2.84Å
223E84.9Confident83Confident103 Ų10395.9 Ų95.948%0.48149%0.493SS..Hα-helixtrans-66.7-32.8176.4-70.6-62.712800112.1K219 K226 Y227K219-E223 PolarHBondContact O-N 2.86Å; E223-K226 WeakPolarHBondContact O-CB 3.12Å; E223-K226 PolarHBondContact O-N 3.07Å; E223-K226 WeakPolarHBondContact OE1-CD 3.4Å; E223-K226 IonicContact OE1-NZ 2.69Å; E223-K226 PolarHBondContact OE1-NZ 3.29Å; E223-K226 WeakPolarHBondContact OE2-CD 3.32Å; E223-K226 IonicContact OE2-NZ 2.73Å; E223-K226 PolarHBondContact OE2-NZ 2.77Å; E223-Y227 PolarHBondContact O-N 3.26Å
224T82.5Confident83.8Confident90 Ų9095.3 Ų95.355%0.55249%0.491SS*.Hα-helixtrans-67.1-38.8173.5-54.50000111.6Q220 R221 T222 Y227 S228Q220-T224 PolarHBondContact O-N 2.77Å; Q220-T224 VanDerWaalsContact O-N 3.08Å; Q220-T224 PolarHBondContact O-OG1 2.8Å; R221-T224 PolarHBondContact O-N 2.9Å; T222-T224 VanDerWaalsContact C-N 3.31Å; T222-T224 PolarHBondContact O-N 2.89Å; T224-Y227 PolarHBondContact O-N 2.51Å; T224-S228 PolarHBondContact O-N 2.89Å; T224-S228 PolarHBondContact O-OG 2.85Å
225L85.4Confident84.6Confident104 Ų10499.2 Ų99.255%0.54550%0.498SS..Hα-helixtrans-64.5-40.8171.9-110.5163.1000112.2R221 T222 S228 I229R221-L225 WeakPolarHBondContact O-CB 3.36Å; R221-L225 PolarHBondContact O-N 2.93Å; T222-L225 WeakPolarHBondContact O-CB 3.47Å; T222-L225 PolarHBondContact O-N 2.89Å; L225-S228 PolarHBondContact O-N 3.13Å; L225-S228 PolarHBondContact O-OG 3.03Å; L225-I229 HydrophobicContact CD2-CD1 4.34Å; L225-I229 WeakPolarHBondContact O-CB 3.36Å; L225-I229 WeakPolarHBondContact O-CD1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 2.97Å; L225-I229 PolarHBondContact O-N 3.12Å
226K86.4Confident85.4Confident119 Ų11999.8 Ų99.852%0.51750%0.502SS..Hα-helixtrans-63.7-40.2176.4-171.8-169.3-175.7-174.30111.5T222 E223 S230T222-K226 WeakPolarHBondContact O-CB 3.37Å; T222-K226 PolarHBondContact O-N 2.84Å; E223-K226 WeakPolarHBondContact O-CB 3.12Å; E223-K226 PolarHBondContact O-N 3.07Å; E223-K226 WeakPolarHBondContact OE1-CD 3.4Å; E223-K226 IonicContact OE1-NZ 2.69Å; E223-K226 PolarHBondContact OE1-NZ 3.29Å; E223-K226 WeakPolarHBondContact OE2-CD 3.32Å; E223-K226 IonicContact OE2-NZ 2.73Å; E223-K226 PolarHBondContact OE2-NZ 2.77Å; K226-S230 PolarHBondContact O-N 2.98Å
227Y86Confident85.8Confident165 Ų165101.6 Ų101.665%0.64751%0.507SS*.Hα-helixtrans-65.6-44.9172.5-178.2-102.4000112.4E223 T224 I229 S230 L231E223-Y227 PolarHBondContact O-N 3.26Å; T224-Y227 PolarHBondContact O-N 2.51Å; Y227-I229 PolarHBondContact O-N 3.03Å; Y227-S230 WeakPolarHBondContact O-CB 3.35Å; Y227-S230 PolarHBondContact O-N 3.21Å; Y227-S230 VanDerWaalsContact O-N 3.12Å; Y227-L231 PolarHBondContact O-N 3.08Å
228S85.9Confident86.3Confident57 Ų57104.3 Ų104.340%0.39952%0.522SS..Hα-helixtrans-68-33178.768.80000112.9T224 L225 L231 A232T224-S228 PolarHBondContact O-N 2.89Å; T224-S228 PolarHBondContact O-OG 2.85Å; L225-S228 PolarHBondContact O-N 3.13Å; L225-S228 PolarHBondContact O-OG 3.03Å; S228-L231 PolarHBondContact O-N 3.3Å; S228-A232 WeakPolarHBondContact O-CB 3.33Å; S228-A232 PolarHBondContact O-N 3.48Å
229I87.1Confident86.8Confident81 Ų81106.2 Ų106.242%0.41553%0.528SS..Hα-helixtrans-63.1-41.3168.5-71.6164.3000111.1L225 Y227 A232 R233L225-I229 HydrophobicContact CD2-CD1 4.34Å; L225-I229 WeakPolarHBondContact O-CB 3.36Å; L225-I229 WeakPolarHBondContact O-CD1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 2.97Å; L225-I229 PolarHBondContact O-N 3.12Å; Y227-I229 PolarHBondContact O-N 3.03Å; I229-A232 PolarHBondContact O-N 3.5Å; I229-R233 WeakPolarHBondContact O-CG 3.4Å; I229-R233 PolarHBondContact O-N 3.48Å
230S88.5Confident87Confident58 Ų58105.9 Ų105.941%0.40653%0.529SS..Hα-helixtrans-62.4-46.2175.2-164.20000111.6K226 Y227 A232 R233 N234K226-S230 PolarHBondContact O-N 2.98Å; Y227-S230 WeakPolarHBondContact O-CB 3.35Å; Y227-S230 PolarHBondContact O-N 3.21Å; Y227-S230 VanDerWaalsContact O-N 3.12Å; S230-A232 VanDerWaalsContact C-N 3.31Å; S230-A232 PolarHBondContact O-N 3.33Å; S230-R233 WeakPolarHBondContact O-CB 3.48Å; S230-R233 PolarHBondContact O-N 2.91Å; S230-N234 PolarHBondContact O-N 3.2Å
231L87.3Confident87.5Confident79 Ų79102 Ų10241%0.41452%0.517SS..Hα-helixtrans-61.7-37.9174.9-175.364.3000112.4Y227 S228 N234 K235Y227-L231 PolarHBondContact O-N 3.08Å; S228-L231 PolarHBondContact O-N 3.3Å; L231-N234 PolarHBondContact O-N 3.06Å; L231-K235 WeakPolarHBondContact O-CG 3.48Å; L231-K235 PolarHBondContact O-N 2.88Å
232A87.2Confident88Confident55 Ų55105.6 Ų105.646%0.45553%0.531SS..Hα-helixtrans-66.3-40.3175.300000112.3S228 I229 S230 K235 L236S228-A232 WeakPolarHBondContact O-CB 3.33Å; S228-A232 PolarHBondContact O-N 3.48Å; I229-A232 PolarHBondContact O-N 3.5Å; S230-A232 VanDerWaalsContact C-N 3.31Å; S230-A232 PolarHBondContact O-N 3.33Å; A232-K235 PolarHBondContact O-N 3.03Å; A232-L236 WeakPolarHBondContact O-CB 3.15Å; A232-L236 PolarHBondContact O-N 3.41Å
233R89.5Confident88.3Confident181 Ų181107.5 Ų107.568%0.68353%0.533SS*.Hα-helixtrans-61.9-43.8173.1-74.2172.8175.8177.9-2111.9I229 S230 K235 L236 H237I229-R233 WeakPolarHBondContact O-CG 3.4Å; I229-R233 PolarHBondContact O-N 3.48Å; S230-R233 WeakPolarHBondContact O-CB 3.48Å; S230-R233 PolarHBondContact O-N 2.91Å; R233-K235 VanDerWaalsContact C-N 3.35Å; R233-K235 PolarHBondContact O-N 3.3Å; R233-L236 PolarHBondContact O-N 2.88Å; R233-L236 VanDerWaalsContact O-N 3.15Å; R233-H237 PolarHBondContact O-N 3.16Å
234N89Confident88.5Confident101 Ų101108.4 Ų108.454%0.5454%0.535SS..Hα-helixtrans-62.5-41.4176.1-69.2-4.7000111.8S230 L231 L236 H237 V238S230-N234 PolarHBondContact O-N 3.2Å; L231-N234 PolarHBondContact O-N 3.06Å; N234-L236 VanDerWaalsContact C-N 3.35Å; N234-L236 PolarHBondContact O-N 2.99Å; N234-H237 PolarHBondContact O-N 3.21Å; N234-V238 WeakPolarHBondContact O-CG2 3.36Å; N234-V238 PolarHBondContact O-N 3.12Å; N234-V238 VanDerWaalsContact O-N 3.14Å
235K90.8Very high88.9Confident137 Ų137107.7 Ų107.760%0.59653%0.531SS*.Hα-helixtrans-62.2-39.9172.7-74.9-178.9177.3-176.10112.4L231 A232 R233 V238 L239L231-K235 WeakPolarHBondContact O-CG 3.48Å; L231-K235 PolarHBondContact O-N 2.88Å; A232-K235 PolarHBondContact O-N 3.03Å; R233-K235 VanDerWaalsContact C-N 3.35Å; R233-K235 PolarHBondContact O-N 3.3Å; K235-V238 PolarHBondContact O-N 2.99Å; K235-L239 WeakPolarHBondContact O-CG 3.34Å; K235-L239 PolarHBondContact O-N 3.03Å
236L90.8Very high89.2Confident110 Ų110107.3 Ų107.358%0.57653%0.529SS*.Hα-helixtrans-64.9-44178-170.2146.7000111.6A232 R233 N234 V238 L239 E240A232-L236 WeakPolarHBondContact O-CB 3.15Å; A232-L236 PolarHBondContact O-N 3.41Å; R233-L236 PolarHBondContact O-N 2.88Å; R233-L236 VanDerWaalsContact O-N 3.15Å; N234-L236 VanDerWaalsContact C-N 3.35Å; N234-L236 PolarHBondContact O-N 2.99Å; L236-V238 VanDerWaalsContact C-N 3.29Å; L236-V238 PolarHBondContact O-N 3.08Å; L236-L239 WeakPolarHBondContact O-CB 3.33Å; L236-L239 PolarHBondContact O-N 3.01Å; L236-L239 VanDerWaalsContact O-N 3.1Å; L236-E240 WeakPolarHBondContact O-CB 3.37Å; L236-E240 PolarHBondContact O-N 2.87Å
237H90Very high89.4Confident129 Ų129105.9 Ų105.960%0.59752%0.524SS*.Hα-helixtrans-62-33.4175-170-46000112.7R233 N234 E240 S241R233-H237 PolarHBondContact O-N 3.16Å; N234-H237 PolarHBondContact O-N 3.21Å; H237-E240 PolarHBondContact O-N 2.79Å; H237-S241 PolarHBondContact O-N 2.8Å; H237-S241 PolarHBondContact O-OG 3.28Å
238V90.5Very high89.7Confident95 Ų95102.3 Ų102.358%0.57651%0.513SS*.Hα-helixtrans-72.8-32.2174.2171.30000112.2N234 K235 L236 S241 R242N234-V238 WeakPolarHBondContact O-CG2 3.36Å; N234-V238 PolarHBondContact O-N 3.12Å; N234-V238 VanDerWaalsContact O-N 3.14Å; K235-V238 PolarHBondContact O-N 2.99Å; L236-V238 VanDerWaalsContact C-N 3.29Å; L236-V238 PolarHBondContact O-N 3.08Å; V238-S241 PolarHBondContact O-OG 3Å; V238-R242 VanDerWaalsContact O-CB 3.32Å; V238-R242 WeakPolarHBondContact O-CB 3.3Å; V238-R242 PolarHBondContact O-N 3.18Å
239L90.3Very high89.9Confident123 Ų123104.3 Ų104.364%0.64452%0.516SS*.Hα-helixtrans-71.4-36.2171.7-69.7170.4000111.7K235 L236 R242 K243K235-L239 WeakPolarHBondContact O-CG 3.34Å; K235-L239 PolarHBondContact O-N 3.03Å; L236-L239 WeakPolarHBondContact O-CB 3.33Å; L236-L239 PolarHBondContact O-N 3.01Å; L236-L239 VanDerWaalsContact O-N 3.1Å; L239-R242 PolarHBondContact O-N 3.43Å; L239-K243 WeakPolarHBondContact O-CB 3.46Å; L239-K243 PolarHBondContact O-N 2.85Å
240E90.4Very high90Very high124 Ų124106.8 Ų106.858%0.57952%0.524SS*.Hα-helixtrans-69.3-43.7178.5-172.2161.8-144.400112.5L236 H237 R242 K243 F244L236-E240 WeakPolarHBondContact O-CB 3.37Å; L236-E240 PolarHBondContact O-N 2.87Å; H237-E240 PolarHBondContact O-N 2.79Å; E240-R242 VanDerWaalsContact C-N 3.33Å; E240-R242 PolarHBondContact O-N 3.41Å; E240-K243 WeakPolarHBondContact O-CB 3.33Å; E240-K243 PolarHBondContact O-N 2.88Å; E240-F244 PolarHBondContact O-N 2.96Å; E240-F244 VanDerWaalsContact O-N 3.08Å
241S90.2Very high90Very high59 Ų59110 Ų11041%0.41354%0.536SS..Hα-helixtrans-65-37.3172.1650000112.1H237 V238 F244 T245H237-S241 PolarHBondContact O-N 2.8Å; H237-S241 PolarHBondContact O-OG 3.28Å; V238-S241 PolarHBondContact O-OG 3Å; S241-F244 PolarHBondContact O-N 3.26Å; S241-T245 PolarHBondContact O-N 3.38Å; S241-T245 VanDerWaalsContact O-N 3.12Å; S241-T245 PolarHBondContact O-OG1 3.01Å
242R90.3Very high90.2Very high172 Ų172112.2 Ų112.265%0.64954%0.542SS*.Hα-helixtrans-67-35.3174.4-171.6170.4-175.3155.83.2112.7V238 L239 E240 T245 L246V238-R242 VanDerWaalsContact O-CB 3.32Å; V238-R242 WeakPolarHBondContact O-CB 3.3Å; V238-R242 PolarHBondContact O-N 3.18Å; L239-R242 PolarHBondContact O-N 3.43Å; E240-R242 VanDerWaalsContact C-N 3.33Å; E240-R242 PolarHBondContact O-N 3.41Å; R242-T245 PolarHBondContact O-N 3.24Å; R242-L246 HydrophobicContact CG-CD1 4.43Å; R242-L246 WeakPolarHBondContact O-CG 3.24Å; R242-L246 PolarHBondContact O-N 3.41Å; R242-L246 VanDerWaalsContact O-N 3.12Å
243K90.4Very high90.3Very high115 Ų115114.5 Ų114.550%0.555%0.546SS..Hα-helixtrans-59.4-49.3171.7173.6-177.2173.2-71.90110.5L239 E240 T245 L246 E247L239-K243 WeakPolarHBondContact O-CB 3.46Å; L239-K243 PolarHBondContact O-N 2.85Å; E240-K243 WeakPolarHBondContact O-CB 3.33Å; E240-K243 PolarHBondContact O-N 2.88Å; K243-T245 VanDerWaalsContact C-N 3.34Å; K243-T245 PolarHBondContact O-N 3.03Å; K243-L246 PolarHBondContact O-N 2.95Å; K243-L246 VanDerWaalsContact O-N 3.14Å; K243-E247 WeakPolarHBondContact CE-OE1 3.46Å; K243-E247 HydrophobicContact CG-CG 4.49Å; K243-E247 IonicContact NZ-OE1 2.77Å; K243-E247 PolarHBondContact NZ-OE1 3.32Å; K243-E247 IonicContact NZ-OE2 3.23Å; K243-E247 PolarHBondContact NZ-OE2 3.48Å; K243-E247 WeakPolarHBondContact O-CG 3.18Å; K243-E247 PolarHBondContact O-N 2.99Å
244F90.2Very high90.2Very high122 Ų122108.9 Ų108.954%0.53553%0.53SS..Hα-helixtrans-59-41.6178.4-179.1-99.4000112.8E240 S241 L246 E247 Q248E240-F244 PolarHBondContact O-N 2.96Å; E240-F244 VanDerWaalsContact O-N 3.08Å; S241-F244 PolarHBondContact O-N 3.26Å; F244-L246 PolarHBondContact O-N 3.26Å; F244-E247 PolarHBondContact O-N 3.36Å; F244-Q248 HydrophobicContact CE1-CG 4.39Å; F244-Q248 VanDerWaalsContact CE1-NE2 3.3Å; F244-Q248 VanDerWaalsContact CZ-NE2 3.27Å; F244-Q248 PolarHBondContact O-N 3.03Å
245T91.6Very high90.2Very high76 Ų76106.9 Ų106.947%0.46653%0.527SS..Hα-helixtrans-60.8-44.5174.4-56.10000112.1S241 R242 K243 E247 Q248 E249S241-T245 PolarHBondContact O-N 3.38Å; S241-T245 VanDerWaalsContact O-N 3.12Å; S241-T245 PolarHBondContact O-OG1 3.01Å; R242-T245 PolarHBondContact O-N 3.24Å; K243-T245 VanDerWaalsContact C-N 3.34Å; K243-T245 PolarHBondContact O-N 3.03Å; T245-E247 PolarHBondContact O-N 2.95Å; T245-Q248 PolarHBondContact O-N 3.35Å; T245-E249 PolarHBondContact O-N 2.96Å
246L91.1Very high90.2Very high95 Ų95105.3 Ų105.350%0.49753%0.525SS..Hα-helixtrans-65.8-36.2177.8-70.8168000112.3R242 K243 F244 Q248 E249 F250R242-L246 HydrophobicContact CG-CD1 4.43Å; R242-L246 WeakPolarHBondContact O-CG 3.24Å; R242-L246 PolarHBondContact O-N 3.41Å; R242-L246 VanDerWaalsContact O-N 3.12Å; K243-L246 PolarHBondContact O-N 2.95Å; K243-L246 VanDerWaalsContact O-N 3.14Å; F244-L246 PolarHBondContact O-N 3.26Å; L246-Q248 VanDerWaalsContact C-N 3.33Å; L246-E249 PolarHBondContact O-N 2.95Å; L246-F250 PolarHBondContact O-N 3.35Å
247E91.3Very high90.2Very high89 Ų89105.6 Ų105.642%0.41652%0.522SS..Hα-helixtrans-63.5-38.3173.6-72.1172.9142.500111.3K243 F244 T245 F250 L251K243-E247 WeakPolarHBondContact CE-OE1 3.46Å; K243-E247 HydrophobicContact CG-CG 4.49Å; K243-E247 IonicContact NZ-OE1 2.77Å; K243-E247 PolarHBondContact NZ-OE1 3.32Å; K243-E247 IonicContact NZ-OE2 3.23Å; K243-E247 PolarHBondContact NZ-OE2 3.48Å; K243-E247 WeakPolarHBondContact O-CG 3.18Å; K243-E247 PolarHBondContact O-N 2.99Å; F244-E247 PolarHBondContact O-N 3.36Å; T245-E247 PolarHBondContact O-N 2.95Å; E247-F250 PolarHBondContact O-N 3.44Å; E247-L251 WeakPolarHBondContact O-CG 3.47Å; E247-L251 PolarHBondContact O-N 3.24Å; E247-L251 VanDerWaalsContact O-N 3.15Å
248Q91.1Very high90.1Very high91 Ų91102.3 Ų102.343%0.42552%0.517SS..Hα-helixtrans-70.3-33.6172-69.4-154.8600114.2F244 T245 L246 K252F244-Q248 HydrophobicContact CE1-CG 4.39Å; F244-Q248 VanDerWaalsContact CE1-NE2 3.3Å; F244-Q248 VanDerWaalsContact CZ-NE2 3.27Å; F244-Q248 PolarHBondContact O-N 3.03Å; T245-Q248 PolarHBondContact O-N 3.35Å; L246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-K252 WeakPolarHBondContact O-CG 3.21Å; Q248-K252 PolarHBondContact O-N 3.18Å
249E90.2Very high90Very high98 Ų9899.9 Ų99.946%0.45851%0.507SS..Hα-helixtrans-66.5-39.7173.1-73.3179.9169.900111.4T245 L246 K252 I253T245-E249 PolarHBondContact O-N 2.96Å; L246-E249 PolarHBondContact O-N 2.95Å; E249-K252 WeakPolarHBondContact O-CB 3.47Å; E249-K252 PolarHBondContact O-N 3.1Å; E249-I253 WeakPolarHBondContact O-CG1 3.48Å; E249-I253 PolarHBondContact O-N 3.33Å; E249-I253 VanDerWaalsContact O-N 3.07Å
250F88.8Confident90Very high134 Ų13499.1 Ų99.159%0.58850%0.502SS*.Hα-helixtrans-62.5-44.3176.3-152.5-79.9000112L246 E247 K252 I253 D254L246-F250 PolarHBondContact O-N 3.35Å; E247-F250 PolarHBondContact O-N 3.44Å; F250-K252 VanDerWaalsContact C-N 3.29Å; F250-K252 PolarHBondContact O-N 2.81Å; F250-I253 WeakPolarHBondContact O-CB 3.48Å; F250-I253 PolarHBondContact O-N 3.22Å; F250-D254 VanDerWaalsContact CE1-OD2 3.32Å; F250-D254 WeakPolarHBondContact CE1-OD2 3.38Å; F250-D254 PolarHBondContact O-N 2.9Å
251L89.9Confident89.9Confident125 Ų12597.6 Ų97.665%0.65450%0.498SS*.Hα-helixtrans-59.6-36.3175.1-72.1168.7000112.8E247 A255E247-L251 WeakPolarHBondContact O-CG 3.47Å; E247-L251 PolarHBondContact O-N 3.24Å; E247-L251 VanDerWaalsContact O-N 3.15Å; L251-A255 WeakPolarHBondContact O-CB 3.15Å; L251-A255 PolarHBondContact O-N 3.31Å
252K90.7Very high90Very high125 Ų12597.7 Ų97.754%0.54350%0.498SS..Hα-helixtrans-67.5-36.4173.5-68.5166.6-172.2170.20112Q248 E249 F250 N256Q248-K252 WeakPolarHBondContact O-CG 3.21Å; Q248-K252 PolarHBondContact O-N 3.18Å; E249-K252 WeakPolarHBondContact O-CB 3.47Å; E249-K252 PolarHBondContact O-N 3.1Å; F250-K252 VanDerWaalsContact C-N 3.29Å; F250-K252 PolarHBondContact O-N 2.81Å; K252-N256 WeakPolarHBondContact O-CB 3.28Å; K252-N256 VanDerWaalsContact O-CG 3.26Å; K252-N256 PolarHBondContact O-N 2.85Å; K252-N256 PolarHBondContact O-ND2 3.17Å
253I89.3Confident90Very high104 Ų10498.7 Ų98.753%0.53350%0.502SS..Hα-helixtrans-66.7-45.9177.2-68.5166.7000111E249 F250 N256 K257E249-I253 WeakPolarHBondContact O-CG1 3.48Å; E249-I253 PolarHBondContact O-N 3.33Å; E249-I253 VanDerWaalsContact O-N 3.07Å; F250-I253 WeakPolarHBondContact O-CB 3.48Å; F250-I253 PolarHBondContact O-N 3.22Å; I253-N256 PolarHBondContact O-N 3.03Å; I253-K257 WeakPolarHBondContact O-CB 3.39Å; I253-K257 PolarHBondContact O-N 2.6Å
254D87.8Confident89.9Confident63 Ų6398.4 Ų98.434%0.33751%0.506SS..Hα-helixtrans-67.5-35177.1-85.6-42.2000112.5F250 K257 A258F250-D254 VanDerWaalsContact CE1-OD2 3.32Å; F250-D254 WeakPolarHBondContact CE1-OD2 3.38Å; F250-D254 PolarHBondContact O-N 2.9Å; D254-K257 PolarHBondContact O-N 3.12Å; D254-K257 IonicContact OD1-NZ 2.69Å; D254-K257 PolarHBondContact OD1-NZ 2.87Å; D254-A258 PolarHBondContact O-N 3Å
255A88Confident89.8Confident59 Ų5999.3 Ų99.349%0.48851%0.512SS..Hα-helixtrans-61.8-44.7171.100000112.3L251 K257 A258 A259L251-A255 WeakPolarHBondContact O-CB 3.15Å; L251-A255 PolarHBondContact O-N 3.31Å; A255-K257 PolarHBondContact O-N 2.79Å; A255-A258 PolarHBondContact O-N 2.77Å; A255-A259 PolarHBondContact O-N 2.92Å
256N91.3Very high89.8Confident103 Ų103100.3 Ų100.355%0.55152%0.517SS*.Hα-helixtrans-62.7-40.9175.2-75.9-26.1000112.1K252 I253 A259 I260K252-N256 WeakPolarHBondContact O-CB 3.28Å; K252-N256 VanDerWaalsContact O-CG 3.26Å; K252-N256 PolarHBondContact O-N 2.85Å; K252-N256 PolarHBondContact O-ND2 3.17Å; I253-N256 PolarHBondContact O-N 3.03Å; N256-A259 PolarHBondContact O-N 3.23Å; N256-I260 WeakPolarHBondContact O-CG1 3.26Å; N256-I260 PolarHBondContact O-N 3.06Å
257K90.7Very high89.8Confident117 Ų117101.4 Ų101.451%0.50952%0.523SS..Hα-helixtrans-62.6-39.9176.1176.2178158.6-157.60112.2I253 D254 A255 I260 N261I253-K257 WeakPolarHBondContact O-CB 3.39Å; I253-K257 PolarHBondContact O-N 2.6Å; D254-K257 PolarHBondContact O-N 3.12Å; D254-K257 IonicContact OD1-NZ 2.69Å; D254-K257 PolarHBondContact OD1-NZ 2.87Å; A255-K257 PolarHBondContact O-N 2.79Å; K257-I260 PolarHBondContact O-N 2.93Å; K257-N261 PolarHBondContact O-N 2.89Å
258A87.9Confident89.7Confident60 Ų60104.5 Ų104.550%0.49654%0.535SS..Hα-helixtrans-62.6-43.3171.600000112.1D254 A255 I260 N261 S262D254-A258 PolarHBondContact O-N 3Å; A255-A258 PolarHBondContact O-N 2.77Å; A258-I260 PolarHBondContact O-N 2.87Å; A258-N261 PolarHBondContact O-N 3.09Å; A258-S262 PolarHBondContact O-N 3.45Å; A258-S262 VanDerWaalsContact O-N 3.08Å; A258-S262 PolarHBondContact O-OG 3.02Å
259A89.4Confident89.6Confident43 Ų43104.5 Ų104.536%0.35554%0.535SS..Hα-helixtrans-67.9-29.5177.200000113.9A255 N256 S262 R263A255-A259 PolarHBondContact O-N 2.92Å; N256-A259 PolarHBondContact O-N 3.23Å; A259-S262 PolarHBondContact O-OG 3.48Å; A259-R263 VanDerWaalsContact O-CG 3.28Å; A259-R263 WeakPolarHBondContact O-CG 3.36Å; A259-R263 PolarHBondContact O-N 2.97Å
260I89Confident89.6Confident107 Ų107103.3 Ų103.355%0.54954%0.538SS..Hα-helixtrans-70.8-44.4171.7-69.6166000110.2N256 K257 A258 S262 R263 L264N256-I260 WeakPolarHBondContact O-CG1 3.26Å; N256-I260 PolarHBondContact O-N 3.06Å; K257-I260 PolarHBondContact O-N 2.93Å; A258-I260 PolarHBondContact O-N 2.87Å; I260-S262 PolarHBondContact O-N 3.34Å; I260-R263 PolarHBondContact O-N 3.38Å; I260-L264 WeakPolarHBondContact O-CB 3.49Å; I260-L264 PolarHBondContact O-N 3.44Å
261N90.1Very high89.4Confident92 Ų92103 Ų10349%0.49254%0.541SS..Hα-helixtrans-61.6-41.3179.4-75.8-14.9000112.8K257 A258 L264 Q265K257-N261 PolarHBondContact O-N 2.89Å; A258-N261 PolarHBondContact O-N 3.09Å; N261-L264 PolarHBondContact O-N 2.85Å; N261-Q265 PolarHBondContact O-N 3.27Å
262S91.3Very high89.3Confident61 Ų61102.8 Ų102.843%0.42754%0.535SS..Hα-helixtrans-66.9-41.7176.861.50000112.3A258 A259 I260 L264 Q265 V266A258-S262 PolarHBondContact O-N 3.45Å; A258-S262 VanDerWaalsContact O-N 3.08Å; A258-S262 PolarHBondContact O-OG 3.02Å; A259-S262 PolarHBondContact O-OG 3.48Å; I260-S262 PolarHBondContact O-N 3.34Å; S262-L264 VanDerWaalsContact C-N 3.31Å; S262-L264 PolarHBondContact O-N 2.94Å; S262-Q265 PolarHBondContact O-N 2.99Å; S262-V266 WeakPolarHBondContact O-CG2 3.31Å; S262-V266 PolarHBondContact O-N 3.17Å
263R91.3Very high89.2Confident194 Ų19499.8 Ų99.873%0.73253%0.525SS*.Hα-helixtrans-59.9-39.5172.7-73.1173.9179.1-164.70.1112.5A259 I260 V266 L267A259-R263 VanDerWaalsContact O-CG 3.28Å; A259-R263 WeakPolarHBondContact O-CG 3.36Å; A259-R263 PolarHBondContact O-N 2.97Å; I260-R263 PolarHBondContact O-N 3.38Å; R263-V266 PolarHBondContact O-N 2.76Å; R263-L267 WeakPolarHBondContact O-CB 3.5Å; R263-L267 PolarHBondContact O-N 3.28Å
264L86.9Confident89Confident109 Ų10996.8 Ų96.857%0.57152%0.52SS*.Hα-helixtrans-67.2-38.3177.4-166.1154.5000111.6I260 N261 S262 L267 K268I260-L264 WeakPolarHBondContact O-CB 3.49Å; I260-L264 PolarHBondContact O-N 3.44Å; N261-L264 PolarHBondContact O-N 2.85Å; S262-L264 VanDerWaalsContact C-N 3.31Å; S262-L264 PolarHBondContact O-N 2.94Å; L264-L267 PolarHBondContact O-N 3.08Å; L264-K268 WeakPolarHBondContact O-CB 3.14Å; L264-K268 PolarHBondContact O-N 3.3Å
265Q88.6Confident88.6Confident141 Ų141101.3 Ų101.366%0.65953%0.534SS*.Hα-helixtrans-63-44.2172.3-74.6-177-14.500112.4N261 S262 K268 Q269N261-Q265 PolarHBondContact O-N 3.27Å; S262-Q265 PolarHBondContact O-N 2.99Å; Q265-K268 PolarHBondContact O-N 3.18Å; Q265-Q269 PolarHBondContact O-N 2.95Å
266V92Very high88.2Confident96 Ų96101.4 Ų101.458%0.58253%0.526SS*.Hα-helixtrans-59.9-49.1175.5173.40000110.8S262 R263 K268 Q269 S270S262-V266 WeakPolarHBondContact O-CG2 3.31Å; S262-V266 PolarHBondContact O-N 3.17Å; R263-V266 PolarHBondContact O-N 2.76Å; V266-K268 VanDerWaalsContact C-N 3.33Å; V266-K268 PolarHBondContact O-N 3.35Å; V266-Q269 PolarHBondContact O-N 3Å; V266-Q269 VanDerWaalsContact O-N 3.09Å; V266-S270 PolarHBondContact O-N 2.81Å; V266-S270 PolarHBondContact O-OG 3.01Å
267L89.5Confident87.8Confident119 Ų119100.3 Ų100.362%0.62352%0.52SS*.Hα-helixtrans-61.6-39.5178.9-173.8149.8000112.3R263 L264 Q269 S270 L271R263-L267 WeakPolarHBondContact O-CB 3.5Å; R263-L267 PolarHBondContact O-N 3.28Å; L264-L267 PolarHBondContact O-N 3.08Å; L267-Q269 VanDerWaalsContact C-N 3.31Å; L267-Q269 PolarHBondContact O-N 3.22Å; L267-S270 PolarHBondContact O-N 3.48Å; L267-L271 WeakPolarHBondContact O-CB 3.35Å; L267-L271 PolarHBondContact O-N 3.14Å
268K89.2Confident87.2Confident154 Ų154100.1 Ų100.167%0.6752%0.524SS*.Hα-helixtrans-61.7-38.6174.3-176.8-179.6178.6-177.80112L264 Q265 V266 K272L264-K268 WeakPolarHBondContact O-CB 3.14Å; L264-K268 PolarHBondContact O-N 3.3Å; Q265-K268 PolarHBondContact O-N 3.18Å; V266-K268 VanDerWaalsContact C-N 3.33Å; V266-K268 PolarHBondContact O-N 3.35Å; K268-K272 PolarHBondContact O-N 3.48Å
269Q89.6Confident86.4Confident91 Ų9199.7 Ų99.743%0.42552%0.517SS..Hα-helixtrans-70.1-49.5177.4-176.754.437.700111.1Q265 V266 L267 L271 K272 D273Q265-Q269 PolarHBondContact O-N 2.95Å; V266-Q269 PolarHBondContact O-N 3Å; V266-Q269 VanDerWaalsContact O-N 3.09Å; L267-Q269 VanDerWaalsContact C-N 3.31Å; L267-Q269 PolarHBondContact O-N 3.22Å; Q269-L271 PolarHBondContact O-N 3.35Å; Q269-K272 WeakPolarHBondContact O-CA 3.49Å; Q269-K272 WeakPolarHBondContact O-CB 3.36Å; Q269-K272 PolarHBondContact O-N 3.49Å; Q269-D273 PolarHBondContact NE2-OD1 2.99Å; Q269-D273 PolarHBondContact NE2-OD2 2.96Å; Q269-D273 PolarHBondContact O-N 2.88Å
270S89.6Confident85.8Confident73 Ų73103.7 Ų103.751%0.5153%0.527SS..Hα-helixtrans-57.3-35.9176.3-560000113.2V266 L267 D273 G274V266-S270 PolarHBondContact O-N 2.81Å; V266-S270 PolarHBondContact O-OG 3.01Å; L267-S270 PolarHBondContact O-N 3.48Å; S270-D273 PolarHBondContact O-N 3.39Å; S270-G274 PolarHBondContact O-N 3.05Å
271L84.8Confident85.3Confident126 Ų126102.4 Ų102.466%0.6652%0.524SS*.Hα-helixtrans-70.7-34.7175.8-172.7144.8000112.6L267 Q269 Y275L267-L271 WeakPolarHBondContact O-CB 3.35Å; L267-L271 PolarHBondContact O-N 3.14Å; Q269-L271 PolarHBondContact O-N 3.35Å; L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 2.91Å; L271-Y275 VanDerWaalsContact O-N 3.15Å
272K88.2Confident84.3Confident121 Ų121106.7 Ų106.753%0.52653%0.533SS..Hα-helixtrans-65.1-45172.1-175.1-170176.1-167.80110.9K268 Q269 Y275 N276K268-K272 PolarHBondContact O-N 3.48Å; Q269-K272 WeakPolarHBondContact O-CA 3.49Å; Q269-K272 WeakPolarHBondContact O-CB 3.36Å; Q269-K272 PolarHBondContact O-N 3.49Å; K272-Y275 PolarHBondContact O-N 3.37Å; K272-N276 VanDerWaalsContact O-CG 3.27Å; K272-N276 PolarHBondContact O-N 2.96Å; K272-N276 VanDerWaalsContact O-N 3.08Å; K272-N276 PolarHBondContact O-ND2 2.68Å
273D88Confident83.3Confident62 Ų62107.3 Ų107.333%0.33253%0.527SS..Hα-helixtrans-68.3-43.7-177.6-61.9-32.5000111.4Q269 S270 Y275 N276 D277Q269-D273 PolarHBondContact NE2-OD1 2.99Å; Q269-D273 PolarHBondContact NE2-OD2 2.96Å; Q269-D273 PolarHBondContact O-N 2.88Å; S270-D273 PolarHBondContact O-N 3.39Å; D273-Y275 VanDerWaalsContact C-N 3.28Å; D273-Y275 PolarHBondContact O-N 3.27Å; D273-N276 WeakPolarHBondContact O-CB 3.32Å; D273-N276 PolarHBondContact O-N 2.98Å; D273-N276 VanDerWaalsContact O-N 3.08Å; D273-D277 PolarHBondContact O-N 2.94Å
274G85Confident82.4Confident42 Ų42100.9 Ų100.943%0.43352%0.515SS..Hα-helixtrans-60.4-33.3172.700000113.9S270 L278S270-G274 PolarHBondContact O-N 3.05Å; G274-L278 WeakPolarHBondContact O-CB 3.42Å; G274-L278 PolarHBondContact O-N 3.44Å
275Y80.4Confident81.7Confident158 Ų158100.8 Ų100.862%0.6251%0.514SS*.Hα-helixtrans-69.2-38.1173.2-169.8-91.1000112.3L271 K272 D273 S279L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 2.91Å; L271-Y275 VanDerWaalsContact O-N 3.15Å; K272-Y275 PolarHBondContact O-N 3.37Å; D273-Y275 VanDerWaalsContact C-N 3.28Å; D273-Y275 PolarHBondContact O-N 3.27Å; Y275-S279 PolarHBondContact O-N 3.08Å
276N79.6Confident80.8Confident60 Ų6098 Ų9832%0.32150%0.502SS..Hα-helixtrans-66.3-40.5175.2-64.2-28.9000111.9K272 D273 S279 K280K272-N276 VanDerWaalsContact O-CG 3.27Å; K272-N276 PolarHBondContact O-N 2.96Å; K272-N276 VanDerWaalsContact O-N 3.08Å; K272-N276 PolarHBondContact O-ND2 2.68Å; D273-N276 WeakPolarHBondContact O-CB 3.32Å; D273-N276 PolarHBondContact O-N 2.98Å; D273-N276 VanDerWaalsContact O-N 3.08Å; N276-S279 PolarHBondContact O-N 3.31Å; N276-S279 PolarHBondContact O-OG 3.18Å; N276-K280 VanDerWaalsContact O-CG 3.32Å; N276-K280 WeakPolarHBondContact O-CG 3.34Å; N276-K280 PolarHBondContact O-N 3.44Å
277D82.1Confident79.8Confident81 Ų8194.2 Ų94.243%0.43348%0.479SS..Hα-helixtrans-74.2-32.5179.4-68.8-24.3000112.1D273 K280 T281D273-D277 PolarHBondContact O-N 2.94Å; D277-K280 IonicContact OD1-NZ 3.77Å; D277-K280 PolarHBondContact OD1-NZ 3.21Å; D277-T281 WeakPolarHBondContact O-CB 3.44Å; D277-T281 PolarHBondContact O-N 3.27Å; D277-T281 PolarHBondContact O-OG1 3.04Å
278L79.2Confident79.1Confident113 Ų11394 Ų9459%0.59247%0.471SS*.Hα-helixtrans-63-40.9168.1-178.962.6000112G274 T281 R282G274-L278 WeakPolarHBondContact O-CB 3.42Å; G274-L278 PolarHBondContact O-N 3.44Å; L278-T281 PolarHBondContact O-N 3.02Å; L278-R282 WeakPolarHBondContact O-CB 3.31Å; L278-R282 PolarHBondContact O-N 3.02Å
279S71.2Confident78.2Confident50 Ų5090.2 Ų90.235%0.3546%0.457SS..Hα-helixtrans-68.3-42.6179.875.60000112.1Y275 N276 R282 Y283Y275-S279 PolarHBondContact O-N 3.08Å; N276-S279 PolarHBondContact O-N 3.31Å; N276-S279 PolarHBondContact O-OG 3.18Å; S279-R282 PolarHBondContact O-N 3.15Å; S279-Y283 WeakPolarHBondContact O-CB 3.4Å; S279-Y283 PolarHBondContact O-N 3.37Å
280K76.3Confident77.1Confident128 Ų12886.2 Ų86.256%0.55744%0.438SS*.Hα-helixtrans-56.5-47.8169.6-68.1169.5-162.8163.50111.8N276 D277 Y283 A284N276-K280 VanDerWaalsContact O-CG 3.32Å; N276-K280 WeakPolarHBondContact O-CG 3.34Å; N276-K280 PolarHBondContact O-N 3.44Å; D277-K280 IonicContact OD1-NZ 3.77Å; D277-K280 PolarHBondContact OD1-NZ 3.21Å; K280-Y283 PolarHBondContact O-N 3.45Å; K280-A284 PolarHBondContact O-N 2.92Å
281T77.6Confident76.3Confident79 Ų7987.1 Ų87.149%0.48543%0.431SS..Hα-helixtrans-63.3-44.6-178-570000111.2D277 L278 Y283 A284 L285D277-T281 WeakPolarHBondContact O-CB 3.44Å; D277-T281 PolarHBondContact O-N 3.27Å; D277-T281 PolarHBondContact O-OG1 3.04Å; L278-T281 PolarHBondContact O-N 3.02Å; T281-Y283 VanDerWaalsContact C-N 3.34Å; T281-Y283 PolarHBondContact O-N 3.34Å; T281-A284 PolarHBondContact O-N 2.91Å; T281-L285 HydrophobicContact CG2-CD1 4.15Å; T281-L285 WeakPolarHBondContact O-CB 3.47Å; T281-L285 WeakPolarHBondContact O-CG 3.36Å; T281-L285 PolarHBondContact O-N 2.94Å
282R70.5Confident75.7Confident182 Ų18284.8 Ų84.869%0.68742%0.419SS*.Hα-helixtrans-61.8-41174.8-173.6-177.667.3166.21.6112L278 S279 M286L278-R282 WeakPolarHBondContact O-CB 3.31Å; L278-R282 PolarHBondContact O-N 3.02Å; S279-R282 PolarHBondContact O-N 3.15Å; R282-M286 WeakPolarHBondContact O-CB 3.43Å; R282-M286 PolarHBondContact O-N 2.97Å
283Y69.8Low74.7Confident75 Ų7579.8 Ų79.829%0.29440%0.398SS..Hα-helixtrans-62.4-52176.6178.7-90.7000111.3S279 K280 T281 L285 M286 T287 H484 D485S279-Y283 WeakPolarHBondContact O-CB 3.4Å; S279-Y283 PolarHBondContact O-N 3.37Å; K280-Y283 PolarHBondContact O-N 3.45Å; T281-Y283 VanDerWaalsContact C-N 3.34Å; T281-Y283 PolarHBondContact O-N 3.34Å; Y283-L285 VanDerWaalsContact C-N 3.3Å; Y283-L285 PolarHBondContact O-N 2.7Å; Y283-M286 WeakPolarHBondContact O-CB 3.44Å; Y283-M286 PolarHBondContact O-N 3.37Å; Y283-T287 WeakPolarHBondContact CE1-OG1 3.34Å; Y283-T287 PolarHBondContact O-N 2.96Å; Y283-T287 PolarHBondContact O-OG1 3.18Å; Y283-T287 PolarHBondContact OH-OG1 3.02Å; Y283-H484 HydrophobicContact CE2-CB 4.11Å; Y283-H484 WeakPolarHBondContact OH-CB 3.43Å; Y283-H484 PolarHBondContact OH-O 2.9Å; Y283-D485 WeakPolarHBondContact OH-CA 3.37Å; Y283-D485 PolarHBondContact OH-N 2.95Å; Y283-D485 PolarHBondContact OH-OD1 3.29Å
284A72.5Confident73.8Confident59 Ų5978.8 Ų78.849%0.48839%0.392SS..Hα-helixtrans-59.7-38.1179.300000113.1K280 T281 R288K280-A284 PolarHBondContact O-N 2.92Å; T281-A284 PolarHBondContact O-N 2.91Å; A284-R288 PolarHBondContact O-N 2.93Å
285L72.6Confident73.1Confident106 Ų10681 Ų8156%0.55539%0.392SS*.Hα-helixtrans-63.6-45172.8-74.9168.7000112T281 Y283 T287 R288 I289T281-L285 HydrophobicContact CG2-CD1 4.15Å; T281-L285 WeakPolarHBondContact O-CB 3.47Å; T281-L285 WeakPolarHBondContact O-CG 3.36Å; T281-L285 PolarHBondContact O-N 2.94Å; Y283-L285 VanDerWaalsContact C-N 3.3Å; Y283-L285 PolarHBondContact O-N 2.7Å; L285-T287 PolarHBondContact O-N 3.07Å; L285-R288 PolarHBondContact O-N 3.23Å; L285-I289 VanDerWaalsContact O-CG1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.26Å; L285-I289 PolarHBondContact O-N 3.26Å
286M70.1Confident72.5Confident82 Ų8276.5 Ų76.540%0.40438%0.38SS..Hα-helixtrans-60.3-45.8176.9-168.369179.100111.4R282 Y283 R288 I289 L290R282-M286 WeakPolarHBondContact O-CB 3.43Å; R282-M286 PolarHBondContact O-N 2.97Å; Y283-M286 WeakPolarHBondContact O-CB 3.44Å; Y283-M286 PolarHBondContact O-N 3.37Å; M286-R288 PolarHBondContact O-N 3.47Å; M286-I289 PolarHBondContact O-N 3.42Å; M286-L290 WeakPolarHBondContact O-CG 3.49Å; M286-L290 PolarHBondContact O-N 3.06Å
287T69.1Low71.6Confident17 Ų1774 Ų7410%0.10437%0.366CS..Hα-helixtrans-60.5-44175.6-57.80000111.7Y283 L285 I289 L290 Y291Y283-T287 WeakPolarHBondContact CE1-OG1 3.34Å; Y283-T287 PolarHBondContact O-N 2.96Å; Y283-T287 PolarHBondContact O-OG1 3.18Å; Y283-T287 PolarHBondContact OH-OG1 3.02Å; L285-T287 PolarHBondContact O-N 3.07Å; T287-I289 PolarHBondContact O-N 3.2Å; T287-L290 PolarHBondContact O-N 3.3Å; T287-Y291 HydrophobicContact CG2-CD2 3.86Å; T287-Y291 HydrophobicContact CG2-CE2 3.63Å; T287-Y291 VanDerWaalsContact O-CD2 3.27Å; T287-Y291 WeakPolarHBondContact O-CD2 3.33Å; T287-Y291 PolarHBondContact O-N 3.46Å
288R74.8Confident70.8Confident116 Ų11671.3 Ų71.344%0.43836%0.358SS..Hα-helixtrans-67.7-34177-174.259.5-170.8145.26.4112.8A284 L285 M286 Y291 L292 E295A284-R288 PolarHBondContact O-N 2.93Å; L285-R288 PolarHBondContact O-N 3.23Å; M286-R288 PolarHBondContact O-N 3.47Å; R288-Y291 PolarHBondContact O-N 3.23Å; R288-L292 HydrophobicContact CG-CD1 4.09Å; R288-L292 HydrophobicContact CG-CG 4.46Å; R288-L292 VanDerWaalsContact NH2-CD2 3.29Å; R288-L292 WeakPolarHBondContact O-CB 3.48Å; R288-L292 WeakPolarHBondContact O-CG 3.41Å; R288-L292 PolarHBondContact O-N 2.85Å; R288-E295 IonicContact CZ-OE1 3.41Å; R288-E295 IonicContact NH1-OE1 3.42Å; R288-E295 PolarHBondContact NH1-OE1 3.46Å; R288-E295 IonicContact NH1-OE2 3.09Å; R288-E295 IonicContact NH2-OE1 3.2Å; R288-E295 PolarHBondContact NH2-OE1 3.31Å; R288-E295 IonicContact NH2-OE2 3.18Å; R288-E295 PolarHBondContact NH2-OE2 3.03Å
289I71Confident70.2Confident74 Ų7471 Ų7138%0.37936%0.357SS..Hα-helixtrans-62.4-43.3172.3-70.5163.6000110.6L285 M286 T287 L292 L293 I401L285-I289 VanDerWaalsContact O-CG1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.26Å; L285-I289 PolarHBondContact O-N 3.26Å; M286-I289 PolarHBondContact O-N 3.42Å; T287-I289 PolarHBondContact O-N 3.2Å; I289-L292 PolarHBondContact O-N 2.94Å; I289-L293 HydrophobicContact CG2-CD1 4.06Å; I289-L293 WeakPolarHBondContact O-CB 3.42Å; I289-L293 WeakPolarHBondContact O-CG 3.33Å; I289-L293 PolarHBondContact O-N 2.99Å; I289-I401 HydrophobicContact CG2-CG2 3.99Å
290L67.1Low69.7Low7 Ų772.2 Ų72.24%0.03736%0.356CS..Hα-helixtrans-62.7-42.2176.1-71.2166.6000112.6M286 T287 L293 N294 L402 I481M286-L290 WeakPolarHBondContact O-CG 3.49Å; M286-L290 PolarHBondContact O-N 3.06Å; T287-L290 PolarHBondContact O-N 3.3Å; L290-L293 PolarHBondContact O-N 3.47Å; L290-N294 PolarHBondContact O-N 3.02Å; L290-L402 HydrophobicContact CD2-CD2 3.6Å; L290-I481 HydrophobicContact CB-CD1 4.26Å; L290-I481 HydrophobicContact CB-CG1 3.86Å; L290-I481 HydrophobicContact CD1-CG1 4.4Å
291Y71.9Confident68.8Low92 Ų9267.5 Ų67.536%0.36134%0.336SS..Hα-helixtrans-64.1-43.8173.9-81.3-67.3000112.6T287 R288 L293 N294 E295 I481T287-Y291 HydrophobicContact CG2-CD2 3.86Å; T287-Y291 HydrophobicContact CG2-CE2 3.63Å; T287-Y291 VanDerWaalsContact O-CD2 3.27Å; T287-Y291 WeakPolarHBondContact O-CD2 3.33Å; T287-Y291 PolarHBondContact O-N 3.46Å; R288-Y291 PolarHBondContact O-N 3.23Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; Y291-L293 PolarHBondContact O-N 3.44Å; Y291-N294 WeakPolarHBondContact O-CB 3.47Å; Y291-N294 PolarHBondContact O-N 2.68Å; Y291-N294 VanDerWaalsContact O-N 3.14Å; Y291-E295 WeakPolarHBondContact O-CG 3.31Å; Y291-E295 PolarHBondContact O-N 3.03Å; Y291-I481 HydrophobicContact CE1-CG2 4.23Å; Y291-I481 HydrophobicContact CE2-CG2 4.28Å
292L73.4Confident67.9Low77 Ų7767.9 Ų67.940%0.40334%0.335SS..Hα-helixtrans-62.8-38.7176.1-76.2166.3000112.3R288 I289 N294 E295 V296R288-L292 HydrophobicContact CG-CD1 4.09Å; R288-L292 HydrophobicContact CG-CG 4.46Å; R288-L292 VanDerWaalsContact NH2-CD2 3.29Å; R288-L292 WeakPolarHBondContact O-CB 3.48Å; R288-L292 WeakPolarHBondContact O-CG 3.41Å; R288-L292 PolarHBondContact O-N 2.85Å; I289-L292 PolarHBondContact O-N 2.94Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 2.96Å; L292-E295 PolarHBondContact O-N 3.3Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.16Å
293L67Low67.3Low15 Ų1565.2 Ų65.28%0.07933%0.334CS..Hα-helixtrans-60.7-41.8172.2-78.8166.6000111.5I289 L290 Y291 Y297 I398 I401 L402I289-L293 HydrophobicContact CG2-CD1 4.06Å; I289-L293 WeakPolarHBondContact O-CB 3.42Å; I289-L293 WeakPolarHBondContact O-CG 3.33Å; I289-L293 PolarHBondContact O-N 2.99Å; L290-L293 PolarHBondContact O-N 3.47Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; Y291-L293 PolarHBondContact O-N 3.44Å; L293-Y297 VanDerWaalsContact O-CB 3.23Å; L293-Y297 WeakPolarHBondContact O-CB 3.18Å; L293-Y297 PolarHBondContact O-N 3.14Å; L293-I398 HydrophobicContact CD2-CG1 4.22Å; L293-I401 HydrophobicContact CD1-CG2 3.88Å; L293-I401 HydrophobicContact CD2-CB 4.29Å; L293-I401 HydrophobicContact CD2-CD1 3.87Å; L293-I401 HydrophobicContact CD2-CG2 4.15Å; L293-I401 HydrophobicContact CG-CG2 4.35Å; L293-L402 HydrophobicContact CD1-CD2 3.6Å; L293-L402 HydrophobicContact CD1-CG 4Å
294N68.9Low66.6Low41 Ų4163 Ų6322%0.21933%0.327CS..Hα-helixtrans-69.1-39.4177.6-167.686000112.5L290 Y291 L292 Y297 G298 L477L290-N294 PolarHBondContact O-N 3.02Å; Y291-N294 WeakPolarHBondContact O-CB 3.47Å; Y291-N294 PolarHBondContact O-N 2.68Å; Y291-N294 VanDerWaalsContact O-N 3.14Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 2.96Å; N294-Y297 PolarHBondContact O-N 3.46Å; N294-G298 PolarHBondContact O-N 3.47Å; N294-L477 HydrophobicContact CB-CD2 3.76Å
295E70.4Confident65.6Low90 Ų9061.2 Ų61.242%0.42131%0.31SS..Hα-helixtrans-58.6-49.9172.6-74.3165.3-149.900111R288 Y291 L292 Y297 G298 L299R288-E295 IonicContact CZ-OE1 3.41Å; R288-E295 IonicContact NH1-OE1 3.42Å; R288-E295 PolarHBondContact NH1-OE1 3.46Å; R288-E295 IonicContact NH1-OE2 3.09Å; R288-E295 IonicContact NH2-OE1 3.2Å; R288-E295 PolarHBondContact NH2-OE1 3.31Å; R288-E295 IonicContact NH2-OE2 3.18Å; R288-E295 PolarHBondContact NH2-OE2 3.03Å; Y291-E295 WeakPolarHBondContact O-CG 3.31Å; Y291-E295 PolarHBondContact O-N 3.03Å; L292-E295 PolarHBondContact O-N 3.3Å; E295-Y297 PolarHBondContact O-N 3.25Å; E295-G298 PolarHBondContact O-N 3.02Å; E295-L299 PolarHBondContact O-N 3.26Å
296V67Low64.5Low63 Ų6359.7 Ų59.738%0.38230%0.302SS..Hα-helixtrans-62.8-42176.4170.30000111.6L292 G298 L299 F300L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.16Å; V296-G298 VanDerWaalsContact C-N 3.34Å; V296-G298 PolarHBondContact O-N 3.5Å; V296-L299 PolarHBondContact O-N 3.48Å; V296-F300 HydrophobicContact CG1-CD2 3.75Å; V296-F300 HydrophobicContact CG1-CE2 3.82Å; V296-F300 WeakPolarHBondContact O-CD2 3.34Å; V296-F300 PolarHBondContact O-N 2.93Å; V296-F300 VanDerWaalsContact O-N 3.08Å
297Y62Low63.4Low6 Ų659.4 Ų59.42%0.02431%0.306CS..Hα-helixtrans-63.4-38.4179.5-167.5-112.7000112.7L293 N294 E295 F300 I301 L394 F395 I398 F470 F473 Q474L293-Y297 VanDerWaalsContact O-CB 3.23Å; L293-Y297 WeakPolarHBondContact O-CB 3.18Å; L293-Y297 PolarHBondContact O-N 3.14Å; N294-Y297 PolarHBondContact O-N 3.46Å; E295-Y297 PolarHBondContact O-N 3.25Å; Y297-F300 PolarHBondContact O-N 2.98Å; Y297-I301 HydrophobicContact CD1-CD1 3.92Å; Y297-I301 HydrophobicContact CE1-CD1 3.72Å; Y297-I301 PolarHBondContact O-N 2.94Å; Y297-L394 HydrophobicContact CD2-CD2 4.17Å; Y297-L394 HydrophobicContact CE2-CD2 4.45Å; Y297-F395 AromaticContact CE2-CE1 3.77Å; Y297-F395 HydrophobicContact CE2-CE1 3.77Å; Y297-F395 HydrophobicContact CE2-CZ 4.15Å; Y297-F395 WeakPolarHBondContact OH-CE1 3.23Å; Y297-F395 WeakPolarHBondContact OH-CZ 3.35Å; Y297-I398 HydrophobicContact CD2-CD1 3.5Å; Y297-I398 VanDerWaalsContact CD2-CD1 3.5Å; Y297-I398 HydrophobicContact CE2-CD1 3.98Å; Y297-I398 HydrophobicContact CG-CD1 4.45Å; Y297-F470 HydrophobicContact CE1-CD1 4.21Å; Y297-F470 HydrophobicContact CE2-CD1 4Å; Y297-F470 HydrophobicContact CE2-CE1 4.03Å; Y297-F470 AromaticContact CZ-CD1 3.56Å; Y297-F470 WeakPolarHBondContact OH-CA 3.38Å; Y297-F470 WeakPolarHBondContact OH-CD1 3.5Å; Y297-F470 PolarHBondContact OH-O 3.25Å; Y297-F473 VanDerWaalsContact OH-CB 3.24Å; Y297-F473 WeakPolarHBondContact OH-CB 3.21Å; Y297-Q474 HydrophobicContact CE1-CB 4Å
298G64.3Low62.2Low25 Ų2560.5 Ų60.526%0.25831%0.313SS..Hα-helixtrans-60.6-50.6172.800000112.4N294 E295 V296 F300 I301 D302N294-G298 PolarHBondContact O-N 3.47Å; E295-G298 PolarHBondContact O-N 3.02Å; V296-G298 VanDerWaalsContact C-N 3.34Å; V296-G298 PolarHBondContact O-N 3.5Å; G298-F300 VanDerWaalsContact C-N 3.31Å; G298-F300 PolarHBondContact O-N 3.26Å; G298-I301 WeakPolarHBondContact O-CA 3.44Å; G298-I301 WeakPolarHBondContact O-CB 3.29Å; G298-I301 PolarHBondContact O-N 3.28Å; G298-D302 PolarHBondContact O-N 3.25Å
299L65.7Low60.5Low108 Ų10860 Ų6057%0.56531%0.312SS*.Hα-helixtrans-56.4-43.4177.5-68.4169.9000112.3E295 V296 I301 D302 D303E295-L299 PolarHBondContact O-N 3.26Å; V296-L299 PolarHBondContact O-N 3.48Å; L299-I301 PolarHBondContact O-N 3.26Å; L299-D302 PolarHBondContact O-N 2.82Å; L299-D303 WeakPolarHBondContact O-CB 3.44Å; L299-D303 PolarHBondContact O-N 2.68Å
300F62Low58.9Low75 Ų7561.3 Ų61.333%0.32932%0.319SS..Hα-helixtrans-67.7-31176.1-88.4-79.2000113.6V296 Y297 G298 L304 L394V296-F300 HydrophobicContact CG1-CD2 3.75Å; V296-F300 HydrophobicContact CG1-CE2 3.82Å; V296-F300 WeakPolarHBondContact O-CD2 3.34Å; V296-F300 PolarHBondContact O-N 2.93Å; V296-F300 VanDerWaalsContact O-N 3.08Å; Y297-F300 PolarHBondContact O-N 2.98Å; G298-F300 VanDerWaalsContact C-N 3.31Å; G298-F300 PolarHBondContact O-N 3.26Å; F300-L304 HydrophobicContact CD1-CD1 3.88Å; F300-L304 VanDerWaalsContact O-CB 3.27Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 WeakPolarHBondContact O-CD1 3.27Å; F300-L304 PolarHBondContact O-N 3.22Å; F300-L394 HydrophobicContact CB-CD2 3.43Å; F300-L394 VanDerWaalsContact CB-CD2 3.43Å; F300-L394 HydrophobicContact CD1-CD2 4.04Å; F300-L394 HydrophobicContact CD2-CD1 3.55Å; F300-L394 HydrophobicContact CD2-CD2 3.94Å; F300-L394 HydrophobicContact CD2-CG 4.36Å; F300-L394 HydrophobicContact CE2-CD1 3.69Å; F300-L394 HydrophobicContact CG-CD1 4.01Å; F300-L394 HydrophobicContact CG-CD2 3.55Å; F300-L394 HydrophobicContact CG-CG 4.35Å; F300-L394 HydrophobicContact CZ-CD1 4.25Å
301I56.7Low57.5Low29 Ų2965 Ų6515%0.14934%0.338CS..Hα-helixtrans-65.2-48.1170.3-78.2171.2000109.8Y297 G298 L299 L304 I305 F470Y297-I301 HydrophobicContact CD1-CD1 3.92Å; Y297-I301 HydrophobicContact CE1-CD1 3.72Å; Y297-I301 PolarHBondContact O-N 2.94Å; G298-I301 WeakPolarHBondContact O-CA 3.44Å; G298-I301 WeakPolarHBondContact O-CB 3.29Å; G298-I301 PolarHBondContact O-N 3.28Å; L299-I301 PolarHBondContact O-N 3.26Å; I301-L304 PolarHBondContact O-N 3.41Å; I301-I305 HydrophobicContact CG1-CD1 4.36Å; I301-I305 HydrophobicContact CG2-CD1 4.21Å; I301-I305 VanDerWaalsContact O-CB 3.27Å; I301-I305 WeakPolarHBondContact O-CB 3.44Å; I301-I305 WeakPolarHBondContact O-CG1 3.47Å; I301-I305 PolarHBondContact O-N 3.28Å; I301-F470 HydrophobicContact CD1-CB 4.47Å; I301-F470 HydrophobicContact CD1-CD1 3.79Å; I301-F470 HydrophobicContact CD1-CE1 4.48Å; I301-F470 HydrophobicContact CD1-CG 4.47Å; I301-F470 HydrophobicContact CG1-CD1 3.48Å; I301-F470 VanDerWaalsContact CG1-CD1 3.48Å; I301-F470 HydrophobicContact CG1-CE1 3.74Å; I301-F470 HydrophobicContact CG1-CG 4.25Å
302D59.8Low55.7Low87 Ų8764.6 Ų64.647%0.46535%0.349SS..Hα-helixtrans-64.6-43.5-176.3-77.2-43.2000112.5G298 L299 N306G298-D302 PolarHBondContact O-N 3.25Å; L299-D302 PolarHBondContact O-N 2.82Å; D302-N306 VanDerWaalsContact CA-ND2 3.34Å; D302-N306 WeakPolarHBondContact CA-ND2 3.49Å; D302-N306 WeakPolarHBondContact O-CB 3.5Å; D302-N306 PolarHBondContact O-ND2 2.98Å; D302-N306 PolarHBondContact OD1-ND2 3.16Å
303D56.4Low53.9Low125 Ų12567.6 Ų67.667%0.66836%0.361SS*.Hα-helixtrans-72.2-29.9179.7-78.7-21.7000113.7L299 P307L299-D303 WeakPolarHBondContact O-CB 3.44Å; L299-D303 PolarHBondContact O-N 2.68Å; D303-P307 WeakPolarHBondContact O-CG 3.27Å
304L54.9Low52.2Low28 Ų2875.2 Ų75.215%0.14740%0.396CS..Hα-helixtrans-101.4-23.1-175.5-73159.9000114.9F300 I301 V308 C387 I391F300-L304 HydrophobicContact CD1-CD1 3.88Å; F300-L304 VanDerWaalsContact O-CB 3.27Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 WeakPolarHBondContact O-CD1 3.27Å; F300-L304 PolarHBondContact O-N 3.22Å; I301-L304 PolarHBondContact O-N 3.41Å; L304-V308 WeakPolarHBondContact O-CG2 3.35Å; L304-C387 HydrophobicContact CD2-CB 3.9Å; L304-I391 HydrophobicContact CD1-CG1 3.79Å
305I51.6Low50.5Low23 Ų2378.7 Ų78.712%0.11841%0.414CS..Hα-helixtrans-106.4-39.6-172.9-54.7-172000112.1I301 V308 Y309 F470I301-I305 HydrophobicContact CG1-CD1 4.36Å; I301-I305 HydrophobicContact CG2-CD1 4.21Å; I301-I305 VanDerWaalsContact O-CB 3.27Å; I301-I305 WeakPolarHBondContact O-CB 3.44Å; I301-I305 WeakPolarHBondContact O-CG1 3.47Å; I301-I305 PolarHBondContact O-N 3.28Å; I305-V308 PolarHBondContact O-N 3.49Å; I305-V308 VanDerWaalsContact O-N 3.16Å; I305-Y309 HydrophobicContact CG2-CD2 3.77Å; I305-Y309 HydrophobicContact CG2-CE2 4.04Å; I305-Y309 PolarHBondContact O-N 3.12Å; I305-F470 HydrophobicContact CD1-CD2 3.64Å; I305-F470 HydrophobicContact CD1-CE2 3.82Å; I305-F470 HydrophobicContact CD1-CG 4.04Å; I305-F470 HydrophobicContact CD1-CZ 4.36Å
306N50.1Low48.6Very low73 Ų7378.8 Ų78.839%0.3942%0.424SS..Hα-helixtrans-61.4-43.3179.9-66-39.7000113.3D302 V308 Y309 N310D302-N306 VanDerWaalsContact CA-ND2 3.34Å; D302-N306 WeakPolarHBondContact CA-ND2 3.49Å; D302-N306 WeakPolarHBondContact O-CB 3.5Å; D302-N306 PolarHBondContact O-ND2 2.98Å; D302-N306 PolarHBondContact OD1-ND2 3.16Å; N306-V308 PolarHBondContact O-N 3.49Å; N306-V308 VanDerWaalsContact O-N 3.15Å; N306-Y309 PolarHBondContact O-N 2.98Å; N306-Y309 VanDerWaalsContact O-N 3.16Å; N306-N310 PolarHBondContact O-N 3.01Å; N306-N310 PolarHBondContact O-OD1 3Å
307P47.3Very low46.8Very low76 Ų7680.3 Ų80.349%0.49444%0.438SS..Hα-helixtrans-59.1-30176.8-25.435.9000113.3D303D303-P307 WeakPolarHBondContact O-CG 3.27Å
308V43.3Very low45.2Very low41 Ų4186.2 Ų86.225%0.24847%0.47CS..Hα-helixtrans-88.2-21.6-176.9-158.20000112L304 I305 N306 I311 L463L304-V308 WeakPolarHBondContact O-CG2 3.35Å; I305-V308 PolarHBondContact O-N 3.49Å; I305-V308 VanDerWaalsContact O-N 3.16Å; N306-V308 PolarHBondContact O-N 3.49Å; N306-V308 VanDerWaalsContact O-N 3.15Å; V308-I311 HydrophobicContact CG1-CD1 4.04Å; V308-L463 HydrophobicContact CB-CD2 3.97Å; V308-L463 HydrophobicContact CG1-CD1 3.64Å; V308-L463 HydrophobicContact CG1-CD2 3.64Å; V308-L463 HydrophobicContact CG1-CG 4.08Å
309Y39Very low43.5Very low105 Ų10592.6 Ų92.641%0.41250%0.498SS..Hα-helixtrans-77.3-34.6167.4-100.5-91.2000112.7I305 N306 I311 S312 K467I305-Y309 HydrophobicContact CG2-CD2 3.77Å; I305-Y309 HydrophobicContact CG2-CE2 4.04Å; I305-Y309 PolarHBondContact O-N 3.12Å; N306-Y309 PolarHBondContact O-N 2.98Å; N306-Y309 VanDerWaalsContact O-N 3.16Å; Y309-I311 PolarHBondContact O-N 3.05Å; Y309-I311 VanDerWaalsContact O-N 3.16Å; Y309-S312 WeakPolarHBondContact O-CB 3.46Å; Y309-S312 PolarHBondContact O-N 3.14Å; Y309-S312 PolarHBondContact O-OG 3.43Å; Y309-K467 HydrophobicContact CE2-CD 4.46Å
310N37.8Very low41.8Very low101 Ų10195.3 Ų95.354%0.5451%0.511SS..Hα-helixtrans-63.6-19.9179.3-74.28.4000113.9N306 S312 E313N306-N310 PolarHBondContact O-N 3.01Å; N306-N310 PolarHBondContact O-OD1 3Å; N310-S312 PolarHBondContact O-N 3.42Å; N310-E313 PolarHBondContact O-N 2.89Å
311I38.6Very low40.1Very low84 Ų8497.2 Ų97.243%0.43153%0.529SS..Hα-helixtrans-55.1-22.3169.3-58.8174000111.6V308 Y309 E313V308-I311 HydrophobicContact CG1-CD1 4.04Å; Y309-I311 PolarHBondContact O-N 3.05Å; Y309-I311 VanDerWaalsContact O-N 3.16Å; I311-E313 VanDerWaalsContact C-N 3.34Å; I311-E313 PolarHBondContact O-N 3.5Å
312S33.6Very low38.7Very low85 Ų85103.1 Ų103.159%0.59456%0.561SS**Hα-helixtrans-73.6-16.2176.365.20000115.3Y309 N310Y309-S312 WeakPolarHBondContact O-CB 3.46Å; Y309-S312 PolarHBondContact O-N 3.14Å; Y309-S312 PolarHBondContact O-OG 3.43Å; N310-S312 PolarHBondContact O-N 3.42Å
313E34.9Very low37Very low140 Ų140104.7 Ų104.765%0.65458%0.576SS**Hα-helixtrans-88.4-34.4175.7-65.6-165.9131.600112.8N310 I311 I315 S316N310-E313 PolarHBondContact O-N 2.89Å; I311-E313 VanDerWaalsContact C-N 3.34Å; I311-E313 PolarHBondContact O-N 3.5Å; E313-I315 PolarHBondContact O-N 3.46Å; E313-S316 WeakPolarHBondContact O-CB 3.41Å; E313-S316 PolarHBondContact O-N 3.2Å; E313-S316 VanDerWaalsContact O-N 3.08Å; E313-S316 PolarHBondContact O-OG 3.18Å
314E31.9Very low35.5Very low175 Ų175105.1 Ų105.182%0.81858%0.583SS**Hα-helixtrans-67.4-17.3177.9-72.9-165.1130.300114.2S316E314-S316 PolarHBondContact O-N 2.87Å
315I32.8Very low34.1Very low114 Ų114110.1 Ų110.159%0.58562%0.615SS**THydrogen-bonded Turntrans-76.5-0.9174.9-55.9172.7000111.4E313 S317E313-I315 PolarHBondContact O-N 3.46Å; I315-S317 PolarHBondContact O-N 3.34Å
316S30.9Very low32.8Very low92 Ų92114.3 Ų114.364%0.64364%0.641SS**SBendtrans-94.580.7176.969.30000113.9E313 E314E313-S316 WeakPolarHBondContact O-CB 3.41Å; E313-S316 PolarHBondContact O-N 3.2Å; E313-S316 VanDerWaalsContact O-N 3.08Å; E313-S316 PolarHBondContact O-OG 3.18Å; E314-S316 PolarHBondContact O-N 2.87Å
317S28.5Very low31.8Very low95 Ų95120.4 Ų120.466%0.66466%0.664SS**SBendtrans-173.9-47.5147.339.10000115.8I315I315-S317 PolarHBondContact O-N 3.34Å
318N29Very low30.7Very low130 Ų130122.6 Ų122.670%0.69567%0.672SS**SBendtrans-111.1-18-156.8-73-43000118I320N318-I320 PolarHBondContact O-N 3.22Å
319D28.1Very low29.9Very low158 Ų158128.2 Ų128.285%0.84570%0.701SS**THydrogen-bonded Turntrans-89.19.2-171-88.5-19.9000115.9
320I30.2Very low29.2Very low166 Ų166132 Ų13285%0.85172%0.722SS**THydrogen-bonded Turntrans-93.8-9.4-179.1-65.1178.7000112.5N318N318-I320 PolarHBondContact O-N 3.22Å
321T26.3Very low28.7Very low114 Ų114132.2 Ų132.270%0.69973%0.731SS**  trans-109.363.3-176.753.60000114.1
322N27.1Very low28.1Very low154 Ų154137.3 Ų137.382%0.82476%0.756SS**  trans-149.297.5158.4-95.1-50.8000110.7
323P24.9Very low27.7Very low120 Ų120140.5 Ų140.578%0.77977%0.766SS**  trans-70.5144.9176.729.8-34000111.3T325P323-T325 PolarHBondContact O-N 2.61Å; P323-T325 VanDerWaalsContact O-N 3.1Å
324V25.1Very low27.3Very low133 Ų133143.8 Ų143.881%0.80678%0.779SS**  trans-62.8110-176.8178.70000111.2T326V324-T326 HydrophobicContact CG1-CG2 4.22Å; V324-T326 PolarHBondContact O-N 2.87Å
325T25.6Very low27Very low133 Ų133143.8 Ų143.882%0.81678%0.783SS**  trans-81.697.6161.350.80000109.5P323 K327P323-T325 PolarHBondContact O-N 2.61Å; P323-T325 VanDerWaalsContact O-N 3.1Å; T325-K327 PolarHBondContact O-N 3.41Å
326T24.4Very low26.6Very low111 Ų111142.8 Ų142.868%0.68179%0.786SS**PPolyproline II helixtrans-58.3118.3168.747.40000110.4V324V324-T326 HydrophobicContact CG1-CG2 4.22Å; V324-T326 PolarHBondContact O-N 2.87Å
327K28.4Very low26.3Very low201 Ų201145.4 Ų145.487%0.87479%0.793SS**PPolyproline II helixtrans-102128151.2-79.4-169.2172.8-175.20107.7T325T325-K327 PolarHBondContact O-N 3.41Å
328N24Very low26.1Very low122 Ų122146.6 Ų146.665%0.65279%0.792SS**PPolyproline II helixtrans-76.2128178.6-56.8-2.7000108.7
329D27.6Very low25.8Very low159 Ų159150.9 Ų150.985%0.8580%0.8SS**  trans-123.6106.2150.7-90.3-49.3000106.9S331D329-S331 PolarHBondContact O-N 2.77Å
330E24.4Very low25.6Very low185 Ų185149.4 Ų149.486%0.86480%0.796SS**  trans-79.799.2-172.1-65.4176.614700110.4
331S26.6Very low25.4Very low105 Ų105149.9 Ų149.973%0.73480%0.795SS**  trans-144.730.8171.152.60000114.1D329 D333D329-S331 PolarHBondContact O-N 2.77Å; S331-D333 PolarHBondContact O-N 2.89Å
332M25.7Very low25.3Very low191 Ų191151.9 Ų151.994%0.94180%0.799SS**  trans-72.870156.8-92.6-72.8-169.900110
333D25.2Very low25.1Very low152 Ų152150.6 Ų150.681%0.81379%0.792SS**SBendtrans-173.7129153-104-25000110.9S331S331-D333 PolarHBondContact O-N 2.89Å
334K26.1Very low25.1Very low210 Ų210152.1 Ų152.191%0.91379%0.789SS**  trans10254-176.1-59.7166.9179.5169.10117.4
335L25.6Very low25.1Very low175 Ų175155 Ų15592%0.91679%0.793SS**  trans-87.3114.4143.4-100.8158.2000108.1
336S25.2Very low25Very low92 Ų92158.8 Ų158.864%0.64380%0.799SS**  trans-67.5139.4-178.2-169.50000111.5D338S336-D338 VanDerWaalsContact C-N 3.27Å; S336-D338 VanDerWaalsContact CB-OD2 3.29Å; S336-D338 WeakPolarHBondContact CB-OD2 3.27Å; S336-D338 PolarHBondContact O-N 3.15Å; S336-D338 PolarHBondContact OG-OD2 3.27Å
337N24Very low24.8Very low148 Ų148158 Ų15879%0.79180%0.804SS**  trans-8071.6174.2-93-30.2000111Y339N337-Y339 PolarHBondContact O-N 3.1Å
338D24.5Very low24.7Very low119 Ų119155 Ų15564%0.63680%0.802SS**  trans-101.668.7173.3-74.2-70.9000111.3S336 V340S336-D338 VanDerWaalsContact C-N 3.27Å; S336-D338 VanDerWaalsContact CB-OD2 3.29Å; S336-D338 WeakPolarHBondContact CB-OD2 3.27Å; S336-D338 PolarHBondContact O-N 3.15Å; S336-D338 PolarHBondContact OG-OD2 3.27Å; D338-V340 VanDerWaalsContact C-N 3.25Å; D338-V340 HydrophobicContact CB-CG2 4.41Å; D338-V340 PolarHBondContact O-N 3.35Å
339Y22.7Very low24.8Very low221 Ų221154.7 Ų154.787%0.86781%0.806SS**  trans-68.982.2162.3-93.9-94000109.4N337N337-Y339 PolarHBondContact O-N 3.1Å
340V24.9Very low24.6Very low127 Ų127154 Ų15477%0.7780%0.802SS**  trans-90.7126.6175.6-1770000110.8D338D338-V340 VanDerWaalsContact C-N 3.25Å; D338-V340 HydrophobicContact CB-CG2 4.41Å; D338-V340 PolarHBondContact O-N 3.35Å
341H24.3Very low24.5Very low176 Ų176152.6 Ų152.682%0.81580%0.801SS**  trans-40.6141.7-171-88.8-100.9000118.1N343H341-N343 PolarHBondContact O-N 3.12Å
342I24.2Very low24.3Very low156 Ų156150.8 Ų150.880%0.880%0.798SS**  trans-62.1121.9147.1-61.2162.6000107.6
343N24Very low24.2Very low127 Ų127149 Ų14968%0.67979%0.791SS**  trans-159.7141.7130.3-127.736.5000114.7H341H341-N343 PolarHBondContact O-N 3.12Å
344E24.5Very low24.1Very low151 Ų151149.6 Ų149.671%0.70679%0.789SS**  trans4.6123.1150.2-57170.1133.500119.3
345H24.6Very low24Very low194 Ų194146 Ų14690%0.89878%0.779SS**  -168.2141.9116-103-68.4000112.6
346F23.4Very low23.9Very low212 Ų212145.5 Ų145.593%0.9377%0.766SS**  trans-81.3131.4168.4-85.4-107.8000111
347A22Very low23.8Very low95 Ų95145.7 Ų145.779%0.78576%0.76SS**  trans-167.9142.7144.200000112
348V25.2Very low24.1Very low137 Ų137145.3 Ų145.383%0.8376%0.758SS**  trans-118.6132.1160172.50000107.2
349P26.7Very low24.1Very low116 Ų116144.3 Ų144.375%0.75375%0.752SS**  trans-136177139.629-11000113.6
350L23.2Very low24.4Very low144 Ų144139.8 Ų139.875%0.75474%0.743SS**  trans-90.4160.7-163.2-76.571000114.9
351N21.5Very low24.7Very low157 Ų157139.7 Ų139.784%0.8474%0.738SS**  trans61.4121.3146.1-65.8-4000120.8
352G23.1Very low25.1Very low66 Ų66137 Ų13768%0.6873%0.73SS**  132.9114.1126.100000117.8
353I23.5Very low25.3Very low153 Ų153135.3 Ų135.379%0.78572%0.722SS**  trans63.4116.2134.7-60.9173.6000118.1
354E22.3Very low25.6Very low166 Ų166135.4 Ų135.478%0.77672%0.723SS**  38.2145.5129.6-54.8-179.3-178.100121.2
355L24.3Very low25.8Very low133 Ų133133.8 Ų133.870%0.69672%0.719SS**  cis-167.5149.81-118168.9000110.5
356Y23.2Very low25.9Very low166 Ų166130.5 Ų130.565%0.65171%0.708SS**  trans69.3139143.6-122.2-122.3000124.1
357N24.2Very low26.1Very low96 Ų96127.6 Ų127.651%0.51370%0.703SS.*  trans81.5132.6137.8-127.345.8000123.8N359N357-N359 PolarHBondContact ND2-ND2 3.39Å; N357-N359 PolarHBondContact ND2-OD1 3.29Å; N357-N359 VanDerWaalsContact ND2-OD1 3.1Å
358D29Very low26.3Very low140 Ų140130 Ų13075%0.74970%0.702SS**  -147.8134.4116.7-99.4-33.7000106.3
359N26.1Very low26.2Very low97 Ų97129.1 Ų129.152%0.51969%0.693SS.*  57.2138.266.2-59.6-35.4000112.8N357N357-N359 PolarHBondContact ND2-ND2 3.39Å; N357-N359 PolarHBondContact ND2-OD1 3.29Å; N357-N359 VanDerWaalsContact ND2-OD1 3.1Å
360N28.8Very low26.1Very low127 Ų127129.8 Ų129.868%0.67969%0.69SS**  cis-161.6162.1-10.5-96.2-22000105.2
361N30.4Very low26.1Very low124 Ų124129.8 Ų129.866%0.66369%0.69SS**  cis-154.8177.48-111.7-10.7000105
362N32.2Very low26.3Very low121 Ų121128.3 Ų128.365%0.64768%0.681SS**  cis-160.3-179.111.9-101.5-12.5000103.8
363N29.9Very low26.3Very low119 Ų119132.4 Ų132.464%0.63668%0.682SS**  cis-173.7143.5-31.1-91.40.5000103.8
364N30.3Very low26.3Very low129 Ų129132.7 Ų132.769%0.6968%0.679SS**  cis-144.4168.311.2-90.2-18.1000107.3
365N28.9Very low26.5Very low118 Ų118130.6 Ų130.663%0.63167%0.673SS**  cis-155.7173.87.6-133.30.7000111
366N25.3Very low26.4Very low125 Ų125133.9 Ų133.967%0.66868%0.681SS**  trans16.4112.3145.1-57.2-1.6000117.3
367N29Very low26.6Very low151 Ų151132.9 Ų132.981%0.80768%0.677SS**  cis-145.7148.127.1-80.2-28.6000113.4
368N24.5Very low26.8Very low146 Ų146130.2 Ų130.278%0.78167%0.673SS**  trans-93134.8-179.3-71.4-14.4000112.8
369N23.8Very low26.7Very low118 Ų118131.2 Ų131.263%0.63168%0.676SS**  166.8156.8101.4-94.5-32.6000114.4
370N25.4Very low27Very low129 Ų129133.1 Ų133.169%0.6969%0.687SS**  trans56.179.5160.4-65.5-3.8000117.6I372N370-I372 PolarHBondContact O-N 3.04Å
371L23.7Very low27.3Very low145 Ų145130.3 Ų130.376%0.75967%0.674SS**  trans-67.774.6161.3-16485.1000111.1H373L371-H373 VanDerWaalsContact C-N 3.35Å; L371-H373 PolarHBondContact O-N 3.42Å
372I24.2Very low27.5Very low125 Ų125128.4 Ų128.464%0.64167%0.67SS**  trans-64.8101162.6-62.4178.3000106.6N370 H374N370-I372 PolarHBondContact O-N 3.04Å; I372-H374 PolarHBondContact O-N 3.02Å
373H24.6Very low27.9Very low152 Ų152127.6 Ų127.670%0.70467%0.665SS**  trans-66.883168.3-95.8-54000109.2L371 I375L371-H373 VanDerWaalsContact C-N 3.35Å; L371-H373 PolarHBondContact O-N 3.42Å; H373-I375 VanDerWaalsContact C-N 3.29Å; H373-I375 PolarHBondContact O-N 3.37Å
374H21.9Very low28.8Very low159 Ų159124.7 Ų124.774%0.73665%0.654SS**  trans-56.8100.5155.1-78.3-83.6000107.3I372 K376I372-H374 PolarHBondContact O-N 3.02Å; H374-K376 VanDerWaalsContact C-N 3.32Å; H374-K376 PolarHBondContact O-N 3.18Å
375I26.9Very low29.5Very low123 Ų123122.2 Ų122.263%0.63165%0.645SS**  trans-62.2101.6166.1-62.8175.5000105.4H373 Y377H373-I375 VanDerWaalsContact C-N 3.29Å; H373-I375 PolarHBondContact O-N 3.37Å; I375-Y377 VanDerWaalsContact C-N 3.25Å; I375-Y377 HydrophobicContact CB-CE2 4.49Å; I375-Y377 HydrophobicContact CG2-CD2 4.1Å; I375-Y377 HydrophobicContact CG2-CE2 4.06Å; I375-Y377 PolarHBondContact O-N 3.47Å
376K22.3Very low30.3Very low201 Ų201120.1 Ų120.187%0.87464%0.636SS**  trans-62.495164.5-80.4-172.3173.3-176.10107H374 G378H374-K376 VanDerWaalsContact C-N 3.32Å; H374-K376 PolarHBondContact O-N 3.18Å; K376-G378 PolarHBondContact O-N 3.01Å
377Y27.9Very low31.4Very low145 Ų145115.7 Ų115.757%0.56962%0.615SS**  trans-57.1128.3159.4-82.3-93.2000107.4I375I375-Y377 VanDerWaalsContact C-N 3.25Å; I375-Y377 HydrophobicContact CB-CE2 4.49Å; I375-Y377 HydrophobicContact CG2-CD2 4.1Å; I375-Y377 HydrophobicContact CG2-CE2 4.06Å; I375-Y377 PolarHBondContact O-N 3.47Å
378G28.8Very low32.6Very low41 Ų41109.6 Ų109.642%0.42358%0.581SS.*  trans-58.3141169.500000108.8K376 D380 T381K376-G378 PolarHBondContact O-N 3.01Å; G378-D380 PolarHBondContact O-N 2.99Å; G378-T381 PolarHBondContact O-N 3.39Å; G378-T381 VanDerWaalsContact O-N 3.11Å; G378-T381 PolarHBondContact O-OG1 2.89Å
379I26.6Very low33.8Very low160 Ų160104.1 Ų104.182%0.82156%0.556SS**G310 helixtrans-61.1-19.6-169.2-71.5171.9000111.8T381I379-T381 VanDerWaalsContact C-N 3.33Å; I379-T381 PolarHBondContact O-N 3.45Å
380D32Very low35.2Very low138 Ų138105.5 Ų105.574%0.73855%0.554SS**G310 helixtrans-82.5-1-176.8-33.5-74.9000113.9G378G378-D380 PolarHBondContact O-N 2.99Å
381T36.2Very low36.7Very low68 Ų6899.6 Ų99.642%0.41752%0.522SS..G310 helixtrans-101.97.8-170.258.50000115.9G378 I379 I383G378-T381 PolarHBondContact O-N 3.39Å; G378-T381 VanDerWaalsContact O-N 3.11Å; G378-T381 PolarHBondContact O-OG1 2.89Å; I379-T381 VanDerWaalsContact C-N 3.33Å; I379-T381 PolarHBondContact O-N 3.45Å; T381-I383 VanDerWaalsContact C-N 3.27Å; T381-I383 PolarHBondContact O-N 3.38Å
382S34.1Very low38.2Very low83 Ų8394.2 Ų94.258%0.5849%0.493SS*.SBendtrans-69.9-16.9-179.156.30000115T386S382-T386 PolarHBondContact O-OG1 3.41Å
383I39.4Very low39.7Very low105 Ų10593.7 Ų93.754%0.53849%0.488SS..Hα-helixtrans-71.1-48-173.9-63.1172.5000111.5T381 T386 C387T381-I383 VanDerWaalsContact C-N 3.27Å; T381-I383 PolarHBondContact O-N 3.38Å; I383-T386 PolarHBondContact O-N 3.49Å; I383-C387 VanDerWaalsContact CG2-SG 3.54Å; I383-C387 PolarHBondContact O-N 3.44Å; I383-C387 PolarHBondContact O-SG 3.37Å; I383-C387 VanDerWaalsContact O-SG 3.41Å
384S50Low41.4Very low57 Ų5786.7 Ų86.740%0.39946%0.456SS..Hα-helixtrans-57.5-54.7-166.5174.80000114.9T386 F388S384-T386 VanDerWaalsContact C-N 3.27Å; S384-T386 PolarHBondContact O-N 3.21Å; S384-F388 WeakPolarHBondContact O-CD2 3.3Å; S384-F388 PolarHBondContact O-N 2.84Å; S384-F388 VanDerWaalsContact O-N 3.11Å
385P44.6Very low43.1Very low78 Ų7879.6 Ų79.651%0.50642%0.423SS..Hα-helixtrans-64.8-34.9-178.5-18.632.6000112.5F388 A389P385-F388 PolarHBondContact O-N 3.15Å; P385-A389 PolarHBondContact O-N 2.89Å
386T45.1Very low44.5Very low73 Ų7375.4 Ų75.445%0.44840%0.403SS..Hα-helixtrans-70.6-45.8-176.3-42.80000110.9S382 I383 S384 A389 Y390S382-T386 PolarHBondContact O-OG1 3.41Å; I383-T386 PolarHBondContact O-N 3.49Å; S384-T386 VanDerWaalsContact C-N 3.27Å; S384-T386 PolarHBondContact O-N 3.21Å; T386-A389 WeakPolarHBondContact O-CB 3.5Å; T386-A389 PolarHBondContact O-N 3.28Å; T386-Y390 HydrophobicContact CG2-CD2 4.25Å; T386-Y390 HydrophobicContact CG2-CE2 3.86Å; T386-Y390 VanDerWaalsContact O-CD2 3.23Å; T386-Y390 WeakPolarHBondContact O-CD2 3.5Å; T386-Y390 PolarHBondContact O-N 2.97Å; T386-Y390 VanDerWaalsContact O-N 3.08Å
387C49.6Very low46.2Very low32 Ų3270.6 Ų70.622%0.21639%0.387CS..Hα-helixtrans-60.4-43.9172-70.30000111.6L304 I383 A389 Y390 I391L304-C387 HydrophobicContact CD2-CB 3.9Å; I383-C387 VanDerWaalsContact CG2-SG 3.54Å; I383-C387 PolarHBondContact O-N 3.44Å; I383-C387 PolarHBondContact O-SG 3.37Å; I383-C387 VanDerWaalsContact O-SG 3.41Å; C387-A389 VanDerWaalsContact C-N 3.3Å; C387-A389 PolarHBondContact O-N 3.02Å; C387-Y390 PolarHBondContact O-N 3.27Å; C387-I391 VanDerWaalsContact O-CG1 3.22Å; C387-I391 WeakPolarHBondContact O-CG1 3.24Å; C387-I391 PolarHBondContact O-N 3.43Å
388F52.5Low47.5Very low23 Ų2364.2 Ų64.210%0.10136%0.362CS..Hα-helixtrans-58.8-38.7175-95.6-71.4000113.1S384 P385 M392 I438 A462 L466S384-F388 WeakPolarHBondContact O-CD2 3.3Å; S384-F388 PolarHBondContact O-N 2.84Å; S384-F388 VanDerWaalsContact O-N 3.11Å; P385-F388 PolarHBondContact O-N 3.15Å; F388-M392 WeakPolarHBondContact O-CG 3.4Å; F388-M392 PolarHBondContact O-N 3.37Å; F388-M392 VanDerWaalsContact O-N 3.1Å; F388-I438 HydrophobicContact CE1-CG2 3.61Å; F388-I438 HydrophobicContact CZ-CG2 3.57Å; F388-A462 HydrophobicContact CE2-CB 4.26Å; F388-A462 HydrophobicContact CZ-CB 4.15Å; F388-L466 HydrophobicContact CD1-CD1 4.33Å; F388-L466 HydrophobicContact CD1-CD2 4.14Å; F388-L466 HydrophobicContact CD1-CG 4.45Å; F388-L466 HydrophobicContact CE1-CD1 3.63Å; F388-L466 HydrophobicContact CE1-CD2 3.51Å; F388-L466 HydrophobicContact CE1-CG 3.49Å; F388-L466 VanDerWaalsContact CE1-CG 3.49Å; F388-L466 HydrophobicContact CE2-CD1 3.99Å; F388-L466 HydrophobicContact CZ-CD1 3.43Å; F388-L466 VanDerWaalsContact CZ-CD1 3.43Å; F388-L466 HydrophobicContact CZ-CD2 4.13Å; F388-L466 HydrophobicContact CZ-CG 3.57Å
389A50.9Low48.7Very low32 Ų3263 Ų6326%0.26435%0.347SS..Hα-helixtrans-63.8-48.1174.400000111.7P385 T386 C387 I391 M392 H393P385-A389 PolarHBondContact O-N 2.89Å; T386-A389 WeakPolarHBondContact O-CB 3.5Å; T386-A389 PolarHBondContact O-N 3.28Å; C387-A389 VanDerWaalsContact C-N 3.3Å; C387-A389 PolarHBondContact O-N 3.02Å; A389-I391 PolarHBondContact O-N 2.94Å; A389-M392 PolarHBondContact O-N 3.26Å; A389-H393 PolarHBondContact O-CD2 3.01Å; A389-H393 VanDerWaalsContact O-CD2 3.27Å; A389-H393 PolarHBondContact O-N 3.48Å
390Y51.9Low50Low146 Ų14659 Ų5957%0.57334%0.337SS*.Hα-helixtrans-59.6-42.3177.1-77.3-62.6000112.8T386 C387 M392 H393 L394T386-Y390 HydrophobicContact CG2-CD2 4.25Å; T386-Y390 HydrophobicContact CG2-CE2 3.86Å; T386-Y390 VanDerWaalsContact O-CD2 3.23Å; T386-Y390 WeakPolarHBondContact O-CD2 3.5Å; T386-Y390 PolarHBondContact O-N 2.97Å; T386-Y390 VanDerWaalsContact O-N 3.08Å; C387-Y390 PolarHBondContact O-N 3.27Å; Y390-M392 PolarHBondContact O-N 3.04Å; Y390-H393 PolarHBondContact O-N 2.99Å; Y390-L394 PolarHBondContact O-N 2.77Å
391I57.8Low51Low6 Ų656.4 Ų56.43%0.03132%0.322CS..Hα-helixtrans-60.4-45.4176.6-66.5165.7000111L304 C387 A389 H393 L394 F395 L466 F470L304-I391 HydrophobicContact CD1-CG1 3.79Å; C387-I391 VanDerWaalsContact O-CG1 3.22Å; C387-I391 WeakPolarHBondContact O-CG1 3.24Å; C387-I391 PolarHBondContact O-N 3.43Å; A389-I391 PolarHBondContact O-N 2.94Å; I391-H393 PolarHBondContact O-N 3.14Å; I391-L394 WeakPolarHBondContact O-CB 3.48Å; I391-L394 PolarHBondContact O-N 2.92Å; I391-F395 HydrophobicContact CG2-CD2 3.77Å; I391-F395 HydrophobicContact CG2-CE2 3.56Å; I391-F395 VanDerWaalsContact O-CD2 3.24Å; I391-F395 WeakPolarHBondContact O-CD2 3.37Å; I391-F395 PolarHBondContact O-N 3.27Å; I391-L466 HydrophobicContact CD1-CD1 3.86Å; I391-L466 HydrophobicContact CD1-CD2 4.02Å; I391-L466 HydrophobicContact CG2-CD2 4.08Å; I391-F470 HydrophobicContact CD1-CE2 4.13Å; I391-F470 HydrophobicContact CD1-CZ 4.27Å; I391-F470 HydrophobicContact CG1-CE2 4.36Å; I391-F470 HydrophobicContact CG1-CZ 4.03Å; I391-F470 HydrophobicContact CG2-CE2 3.94Å; I391-F470 HydrophobicContact CG2-CZ 3.74Å
392M54.5Low51.8Low31 Ų3154.8 Ų54.815%0.15331%0.311CS..Hα-helixtrans-69.1-31.6177.9-69.6-59.8-61.300113F388 A389 Y390 T396 L419F388-M392 WeakPolarHBondContact O-CG 3.4Å; F388-M392 PolarHBondContact O-N 3.37Å; F388-M392 VanDerWaalsContact O-N 3.1Å; A389-M392 PolarHBondContact O-N 3.26Å; Y390-M392 PolarHBondContact O-N 3.04Å; M392-T396 PolarHBondContact O-N 3.48Å; M392-T396 PolarHBondContact O-OG1 2.92Å; M392-L419 HydrophobicContact CE-CD1 4.49Å; M392-L419 HydrophobicContact CE-CD2 4.01Å; M392-L419 HydrophobicContact CG-CD1 4.43Å; M392-L419 HydrophobicContact SD-CD1 4.01Å
393H56.2Low52.6Low114 Ų11458.1 Ų58.153%0.52832%0.322SS..Hα-helixtrans-67.9-41.6171.3-88.3-81.7000112.1A389 Y390 I391 T396 L397A389-H393 PolarHBondContact O-CD2 3.01Å; A389-H393 VanDerWaalsContact O-CD2 3.27Å; A389-H393 PolarHBondContact O-N 3.48Å; Y390-H393 PolarHBondContact O-N 2.99Å; I391-H393 PolarHBondContact O-N 3.14Å; H393-T396 WeakPolarHBondContact O-CB 3.34Å; H393-T396 PolarHBondContact O-N 3.32Å; H393-L397 PolarHBondContact O-N 3.08Å
394L60.6Low52.8Low6 Ų657.7 Ų57.73%0.03132%0.318CS..Hα-helixtrans-60-49.8174.2179.367.7000111.5Y297 F300 Y390 I391 T396 L397 I398Y297-L394 HydrophobicContact CD2-CD2 4.17Å; Y297-L394 HydrophobicContact CE2-CD2 4.45Å; F300-L394 HydrophobicContact CB-CD2 3.43Å; F300-L394 VanDerWaalsContact CB-CD2 3.43Å; F300-L394 HydrophobicContact CD1-CD2 4.04Å; F300-L394 HydrophobicContact CD2-CD1 3.55Å; F300-L394 HydrophobicContact CD2-CD2 3.94Å; F300-L394 HydrophobicContact CD2-CG 4.36Å; F300-L394 HydrophobicContact CE2-CD1 3.69Å; F300-L394 HydrophobicContact CG-CD1 4.01Å; F300-L394 HydrophobicContact CG-CD2 3.55Å; F300-L394 HydrophobicContact CG-CG 4.35Å; F300-L394 HydrophobicContact CZ-CD1 4.25Å; Y390-L394 PolarHBondContact O-N 2.77Å; I391-L394 WeakPolarHBondContact O-CB 3.48Å; I391-L394 PolarHBondContact O-N 2.92Å; L394-T396 VanDerWaalsContact C-N 3.29Å; L394-T396 PolarHBondContact O-N 3.47Å; L394-L397 WeakPolarHBondContact O-CB 3.19Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-L397 VanDerWaalsContact O-N 3.14Å; L394-I398 HydrophobicContact CD1-CD1 4.03Å; L394-I398 HydrophobicContact CD1-CG1 4.41Å; L394-I398 HydrophobicContact CG-CD1 3.86Å; L394-I398 WeakPolarHBondContact O-CG1 3.49Å; L394-I398 PolarHBondContact O-N 2.94Å
395F58.2Low52.3Low9 Ų960.6 Ų60.64%0.03934%0.336CS..Hα-helixtrans-59.9-39.9176-78-60.6000112.1Y297 I391 L397 I398 T399 L469 F470 F473Y297-F395 AromaticContact CE2-CE1 3.77Å; Y297-F395 HydrophobicContact CE2-CE1 3.77Å; Y297-F395 HydrophobicContact CE2-CZ 4.15Å; Y297-F395 WeakPolarHBondContact OH-CE1 3.23Å; Y297-F395 WeakPolarHBondContact OH-CZ 3.35Å; I391-F395 HydrophobicContact CG2-CD2 3.77Å; I391-F395 HydrophobicContact CG2-CE2 3.56Å; I391-F395 VanDerWaalsContact O-CD2 3.24Å; I391-F395 WeakPolarHBondContact O-CD2 3.37Å; I391-F395 PolarHBondContact O-N 3.27Å; F395-L397 PolarHBondContact O-N 3.02Å; F395-I398 PolarHBondContact O-N 3.33Å; F395-T399 PolarHBondContact O-N 3.01Å; F395-T399 PolarHBondContact O-OG1 3.04Å; F395-L469 HydrophobicContact CD2-CD2 4.45Å; F395-L469 HydrophobicContact CE1-CD2 4.45Å; F395-L469 HydrophobicContact CE2-CD2 3.73Å; F395-L469 HydrophobicContact CZ-CD2 3.74Å; F395-F470 HydrophobicContact CE2-CE1 4.43Å; F395-F470 HydrophobicContact CE2-CZ 4.41Å; F395-F470 HydrophobicContact CZ-CD1 4.17Å; F395-F470 HydrophobicContact CZ-CE1 4.19Å; F395-F473 HydrophobicContact CD1-CD1 4.14Å; F395-F473 HydrophobicContact CD1-CD2 4.08Å; F395-F473 HydrophobicContact CD1-CE1 4.14Å; F395-F473 HydrophobicContact CD1-CE2 4.08Å; F395-F473 HydrophobicContact CD1-CG 4.11Å; F395-F473 HydrophobicContact CD1-CZ 4.11Å; F395-F473 HydrophobicContact CE1-CB 3.81Å; F395-F473 AromaticContact CE1-CD1 3.91Å; F395-F473 HydrophobicContact CE1-CD1 3.91Å; F395-F473 AromaticContact CE1-CD2 3.45Å; F395-F473 HydrophobicContact CE1-CD2 3.45Å; F395-F473 VanDerWaalsContact CE1-CD2 3.45Å; F395-F473 HydrophobicContact CE1-CE1 4.31Å; F395-F473 AromaticContact CE1-CE2 3.9Å; F395-F473 HydrophobicContact CE1-CE2 3.9Å; F395-F473 AromaticContact CE1-CG 3.45Å; F395-F473 HydrophobicContact CE1-CG 3.45Å; F395-F473 VanDerWaalsContact CE1-CG 3.45Å; F395-F473 HydrophobicContact CE1-CZ 4.3Å; F395-F473 HydrophobicContact CZ-CB 4.45Å; F395-F473 AromaticContact CZ-CD2 3.97Å; F395-F473 HydrophobicContact CZ-CD2 3.97Å; F395-F473 HydrophobicContact CZ-CE2 4.48Å; F395-F473 HydrophobicContact CZ-CG 4.28Å
396T54.9Low52.2Low35 Ų3559.6 Ų59.622%0.21533%0.325CS..Hα-helixtrans-59.2-46.5174-52.30000111.4M392 H393 L394 T399 A400 I406 R410M392-T396 PolarHBondContact O-N 3.48Å; M392-T396 PolarHBondContact O-OG1 2.92Å; H393-T396 WeakPolarHBondContact O-CB 3.34Å; H393-T396 PolarHBondContact O-N 3.32Å; L394-T396 VanDerWaalsContact C-N 3.29Å; L394-T396 PolarHBondContact O-N 3.47Å; T396-T399 WeakPolarHBondContact CA-OG1 3.46Å; T396-T399 PolarHBondContact O-N 3.44Å; T396-T399 PolarHBondContact O-OG1 2.75Å; T396-A400 PolarHBondContact O-N 3.21Å; T396-I406 HydrophobicContact CG2-CD1 4.16Å; T396-R410 PolarHBondContact OG1-NH2 2.9Å
397L57.9Low52Low101 Ų10160.8 Ų60.853%0.52933%0.328SS..Hα-helixtrans-62.4-45.6-179.6-177.366.1000111.5H393 L394 F395 T399 A400 I401H393-L397 PolarHBondContact O-N 3.08Å; L394-L397 WeakPolarHBondContact O-CB 3.19Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-L397 VanDerWaalsContact O-N 3.14Å; F395-L397 PolarHBondContact O-N 3.02Å; L397-T399 PolarHBondContact O-N 3.39Å; L397-A400 PolarHBondContact O-N 3.17Å; L397-I401 HydrophobicContact CD1-CD1 4.17Å; L397-I401 HydrophobicContact CG-CD1 3.96Å; L397-I401 WeakPolarHBondContact O-CG1 3.4Å; L397-I401 PolarHBondContact O-N 3.15Å
398I56.5Low51.5Low10 Ų1061.7 Ų61.75%0.05133%0.327CS..Hα-helixtrans-61.6-43.6177.8-67.4168.8000110.8L293 Y297 L394 F395 A400 I401 L402 L477L293-I398 HydrophobicContact CD2-CG1 4.22Å; Y297-I398 HydrophobicContact CD2-CD1 3.5Å; Y297-I398 VanDerWaalsContact CD2-CD1 3.5Å; Y297-I398 HydrophobicContact CE2-CD1 3.98Å; Y297-I398 HydrophobicContact CG-CD1 4.45Å; L394-I398 HydrophobicContact CD1-CD1 4.03Å; L394-I398 HydrophobicContact CD1-CG1 4.41Å; L394-I398 HydrophobicContact CG-CD1 3.86Å; L394-I398 WeakPolarHBondContact O-CG1 3.49Å; L394-I398 PolarHBondContact O-N 2.94Å; F395-I398 PolarHBondContact O-N 3.33Å; I398-A400 VanDerWaalsContact C-N 3.32Å; I398-A400 PolarHBondContact O-N 3.4Å; I398-I401 PolarHBondContact O-N 3.49Å; I398-L402 HydrophobicContact CG2-CD1 3.78Å; I398-L402 HydrophobicContact CG2-CG 4.43Å; I398-L402 WeakPolarHBondContact O-CB 3.42Å; I398-L402 WeakPolarHBondContact O-CG 3.47Å; I398-L402 PolarHBondContact O-N 3.4Å; I398-L477 HydrophobicContact CG2-CD1 4.5Å
399T53.4Low50.7Low17 Ų1764.3 Ų64.310%0.10435%0.347CS..Hα-helixtrans-65-32.1175.543.20000114F395 T396 L397 D403 Q404 I406F395-T399 PolarHBondContact O-N 3.01Å; F395-T399 PolarHBondContact O-OG1 3.04Å; T396-T399 WeakPolarHBondContact CA-OG1 3.46Å; T396-T399 PolarHBondContact O-N 3.44Å; T396-T399 PolarHBondContact O-OG1 2.75Å; L397-T399 PolarHBondContact O-N 3.39Å; T399-D403 WeakPolarHBondContact O-CA 3.19Å; T399-D403 PolarHBondContact O-N 3.06Å; T399-Q404 WeakPolarHBondContact CB-O 3.18Å; T399-Q404 WeakPolarHBondContact CG2-O 3.37Å; T399-Q404 PolarHBondContact O-N 3.39Å; T399-Q404 VanDerWaalsContact O-N 3.12Å; T399-I406 HydrophobicContact CG2-CG1 3.7Å; T399-I406 WeakPolarHBondContact OG1-CG1 3.24Å
400A53.2Low50Low74 Ų7469.5 Ų69.561%0.61236%0.36SS*.Hα-helixtrans-73.2-30.6176.100000112.8T396 L397 I398T396-A400 PolarHBondContact O-N 3.21Å; L397-A400 PolarHBondContact O-N 3.17Å; I398-A400 VanDerWaalsContact C-N 3.32Å; I398-A400 PolarHBondContact O-N 3.4Å
401I53.3Low49.3Very low84 Ų8468.4 Ų68.443%0.43136%0.364SS..Hα-helixtrans-79.7-31.5176.3-61.9164.1000111.2I289 L293 L397 I398I289-I401 HydrophobicContact CG2-CG2 3.99Å; L293-I401 HydrophobicContact CD1-CG2 3.88Å; L293-I401 HydrophobicContact CD2-CB 4.29Å; L293-I401 HydrophobicContact CD2-CD1 3.87Å; L293-I401 HydrophobicContact CD2-CG2 4.15Å; L293-I401 HydrophobicContact CG-CG2 4.35Å; L397-I401 HydrophobicContact CD1-CD1 4.17Å; L397-I401 HydrophobicContact CG-CD1 3.96Å; L397-I401 WeakPolarHBondContact O-CG1 3.4Å; L397-I401 PolarHBondContact O-N 3.15Å; I398-I401 PolarHBondContact O-N 3.49Å
402L54.2Low48.1Very low34 Ų3473.9 Ų73.918%0.17839%0.387CS..Hα-helixtrans-89.6-4.7178-64.7178.3000114.4L290 L293 I398 Q404 L477L290-L402 HydrophobicContact CD2-CD2 3.6Å; L293-L402 HydrophobicContact CD1-CD2 3.6Å; L293-L402 HydrophobicContact CD1-CG 4Å; I398-L402 HydrophobicContact CG2-CD1 3.78Å; I398-L402 HydrophobicContact CG2-CG 4.43Å; I398-L402 WeakPolarHBondContact O-CB 3.42Å; I398-L402 WeakPolarHBondContact O-CG 3.47Å; I398-L402 PolarHBondContact O-N 3.4Å; L402-Q404 VanDerWaalsContact C-N 3.33Å; L402-Q404 HydrophobicContact CB-CG 4.22Å; L402-Q404 VanDerWaalsContact O-CG 3.27Å; L402-Q404 WeakPolarHBondContact O-CG 3.33Å; L402-Q404 PolarHBondContact O-N 3.24Å; L402-L477 HydrophobicContact CD1-CD1 4.27Å
403D49.9Very low47.1Very low153 Ų15377.7 Ų77.782%0.81841%0.412SS*.THydrogen-bonded Turntrans50.446.8-175.7-152.519000113.2T399T399-D403 WeakPolarHBondContact O-CA 3.19Å; T399-D403 PolarHBondContact O-N 3.06Å
404Q43.2Very low46Very low96 Ų9681.7 Ų81.745%0.44943%0.431SS..  trans-124.7138.3-179.6-55.6-148.7-27.700111.8T399 L402T399-Q404 WeakPolarHBondContact CB-O 3.18Å; T399-Q404 WeakPolarHBondContact CG2-O 3.37Å; T399-Q404 PolarHBondContact O-N 3.39Å; T399-Q404 VanDerWaalsContact O-N 3.12Å; L402-Q404 VanDerWaalsContact C-N 3.33Å; L402-Q404 HydrophobicContact CB-CG 4.22Å; L402-Q404 VanDerWaalsContact O-CG 3.27Å; L402-Q404 WeakPolarHBondContact O-CG 3.33Å; L402-Q404 PolarHBondContact O-N 3.24Å
405P39.9Very low44.8Very low119 Ų11987.9 Ų87.977%0.77346%0.463SS*.  trans-69.2133.6-177.427.7-34.5000112.3I407P405-I407 PolarHBondContact O-N 2.91Å
406I42.3Very low43.6Very low56 Ų5693.1 Ų93.129%0.28748%0.483SS..  trans-66.5126.9168.3-45.8166.5000108T396 T399 Y408T396-I406 HydrophobicContact CG2-CD1 4.16Å; T399-I406 HydrophobicContact CG2-CG1 3.7Å; T399-I406 WeakPolarHBondContact OG1-CG1 3.24Å; I406-Y408 HydrophobicContact CG2-CD2 4.35Å; I406-Y408 PolarHBondContact O-N 3.32Å
407I40.1Very low42.6Very low99 Ų9994.7 Ų94.751%0.50849%0.494SS..SBendtrans-70.8-13.2179.8-73.1169.1000112.7P405 I424P405-I407 PolarHBondContact O-N 2.91Å; I407-I424 HydrophobicContact CG1-CD1 4.4Å; I407-I424 HydrophobicContact CG2-CD1 3.68Å; I407-I424 HydrophobicContact CG2-CG1 4.28Å
408Y39.8Very low41.5Very low50 Ų5098.2 Ų98.220%0.19651%0.505CS..SBendtrans-108.5119-175.4-52.4-62.2000111.5I406 L421 L469I406-Y408 HydrophobicContact CG2-CD2 4.35Å; I406-Y408 PolarHBondContact O-N 3.32Å; Y408-L421 HydrophobicContact CE1-CD2 3.73Å; Y408-L421 HydrophobicContact CE1-CG 4.42Å; Y408-L469 HydrophobicContact CE2-CD1 4.24Å
409P36.3Very low40.6Very low79 Ų7999.7 Ų99.751%0.51351%0.513SS..  trans-69.5144.6177.328.8-33.9000111.5
410R35.6Very low39.7Very low141 Ų141103.5 Ų103.553%0.53253%0.528SS..  trans-81.7113.6172.9-74.3-178.3171.5-157.2-5.1110.5T396T396-R410 PolarHBondContact OG1-NH2 2.9Å
411D36.5Very low38.8Very low123 Ų123102.1 Ų102.166%0.65851%0.51SS*.  trans-120.993156.2-90.2-41000109.2
412F33.6Very low37.7Very low120 Ų120102.8 Ų102.853%0.52651%0.514SS..  trans-99.889.2167.6-86.3-86.2000108.7
413V34.2Very low36.5Very low111 Ų111106.1 Ų106.167%0.67353%0.532SS*.  trans-89.7128.8164.8-177.40000107.6I415 Y416V413-I415 PolarHBondContact O-N 2.94Å; V413-Y416 PolarHBondContact O-N 3.41Å
414E32.9Very low35.6Very low199 Ų199104 Ų10493%0.9352%0.52SS*.THydrogen-bonded Turntrans-62.69.5-154.5-61.2179.6115.600118
415I34Very low34.9Very low136 Ų136104.1 Ų104.170%0.69753%0.531SS*.THydrogen-bonded Turntrans-126-27.8-176.3-45.9-176.2000113.2V413V413-I415 PolarHBondContact O-N 2.94Å
416Y33Very low34.5Very low119 Ų119102.1 Ų102.147%0.46752%0.517SS..  trans-152.3123.1178.4-68.7-78.9000113.3V413 K418 L441V413-Y416 PolarHBondContact O-N 3.41Å; Y416-K418 PolarHBondContact O-N 3.31Å; Y416-L441 HydrophobicContact CD1-CD1 4.36Å; Y416-L441 HydrophobicContact CE1-CD1 4.43Å; Y416-L441 HydrophobicContact CE1-CD2 4.38Å
417P34.8Very low34Very low68 Ų68110 Ų11044%0.44254%0.542SS..  trans-76.3113.4174.830.1-32.9000111.6
418K34.8Very low33.3Very low175 Ų175112.9 Ų112.976%0.76156%0.559SS**  trans-111.190.5170.1-78.6-176.5177.3176.20110.4Y416 K420Y416-K418 PolarHBondContact O-N 3.31Å; K418-K420 PolarHBondContact O-N 2.87Å
419L37.6Very low32.7Very low41 Ų41117 Ų11722%0.21558%0.583CS.*  trans-69.4116.8169.3-91.5154.2000110.4M392 L421 I438M392-L419 HydrophobicContact CE-CD1 4.49Å; M392-L419 HydrophobicContact CE-CD2 4.01Å; M392-L419 HydrophobicContact CG-CD1 4.43Å; M392-L419 HydrophobicContact SD-CD1 4.01Å; L419-L421 PolarHBondContact O-N 3.49Å; L419-I438 HydrophobicContact CB-CD1 4.13Å; L419-I438 HydrophobicContact CD1-CD1 4.04Å
420K34.8Very low32.3Very low96 Ų96116.9 Ų116.942%0.41758%0.584SS.*  trans-87.495.1173.2-159.7-178.6-170.6-171.30109.3K418 L422 D433 C435K418-K420 PolarHBondContact O-N 2.87Å; K420-L422 PolarHBondContact O-N 2.93Å; K420-L422 VanDerWaalsContact O-N 3.17Å; K420-D433 VanDerWaalsContact CE-OD1 3.32Å; K420-D433 WeakPolarHBondContact CE-OD1 3.38Å; K420-D433 IonicContact NZ-OD1 2.72Å; K420-D433 PolarHBondContact NZ-OD1 3.16Å; K420-C435 WeakPolarHBondContact CE-SG 3.45Å
421L34.1Very low32Very low45 Ų45120.3 Ų120.324%0.23661%0.606CS.*  trans-64.5110.7172.6-110.3158.3000109.7Y408 L419 L436 I438Y408-L421 HydrophobicContact CE1-CD2 3.73Å; Y408-L421 HydrophobicContact CE1-CG 4.42Å; L419-L421 PolarHBondContact O-N 3.49Å; L421-L436 HydrophobicContact CB-CB 4.25Å; L421-L436 HydrophobicContact CD1-CB 3.96Å; L421-I438 HydrophobicContact CD1-CD1 4.18Å; L421-I438 HydrophobicContact CD1-CG1 3.95Å
422L30.5Very low31.6Very low98 Ų98117 Ų11751%0.51359%0.592SS.*  trans-104.6108.2169.1-88.5165.4000108.1K420 I424K420-L422 PolarHBondContact O-N 2.93Å; K420-L422 VanDerWaalsContact O-N 3.17Å; L422-I424 PolarHBondContact O-N 3.24Å
423D29.2Very low31.5Very low104 Ų104117.6 Ų117.656%0.55660%0.601SS**  trans-80.5114.1177-162.9-28.9000110S425D423-S425 VanDerWaalsContact C-N 3.3Å; D423-S425 VanDerWaalsContact OD1-CB 3.27Å; D423-S425 WeakPolarHBondContact OD1-CB 3.49Å; D423-S425 PolarHBondContact OD1-N 2.75Å; D423-S425 PolarHBondContact OD1-OG 3.25Å
424I31.5Very low31.3Very low110 Ų110121.4 Ų121.456%0.56460%0.604SS**SBendtrans-81.4-12.6-179.8-66.9-176.4000111.4I407 L422I407-I424 HydrophobicContact CG1-CD1 4.4Å; I407-I424 HydrophobicContact CG2-CD1 3.68Å; I407-I424 HydrophobicContact CG2-CG1 4.28Å; L422-I424 PolarHBondContact O-N 3.24Å
425S26.8Very low31.3Very low97 Ų97114.7 Ų114.768%0.67858%0.578SS**SBendtrans-75.4-24.8-179.173.20000114D423D423-S425 VanDerWaalsContact C-N 3.3Å; D423-S425 VanDerWaalsContact OD1-CB 3.27Å; D423-S425 WeakPolarHBondContact OD1-CB 3.49Å; D423-S425 PolarHBondContact OD1-N 2.75Å; D423-S425 PolarHBondContact OD1-OG 3.25Å
426T32.4Very low31.3Very low78 Ų78113 Ų11348%0.47957%0.57SS.*  trans-111.355.3-176.661.50000112.9D428T426-D428 PolarHBondContact O-N 3.1Å
427R31.4Very low31.4Very low220 Ų220109.8 Ų109.883%0.8357%0.568SS**THydrogen-bonded Turntrans-66.5-20.9-172.6-145.8175.2-164.9172.25.6115.2
428D26.3Very low31.5Very low161 Ų161107.1 Ų107.186%0.86155%0.55SS*.THydrogen-bonded Turntrans-109.17.6-171.3-58.8-43.9000114.6T426T426-D428 PolarHBondContact O-N 3.1Å
429I27Very low31.5Very low135 Ų135101.5 Ų101.569%0.69253%0.532SS*.SBendtrans-127.9123.4-177-59-179.2000113.1
430S28.2Very low31.3Very low77 Ų77100.9 Ų100.954%0.53853%0.528SS..  trans80.2118.6169.781.40000118.3S432S430-S432 PolarHBondContact O-N 3.47Å; S430-S432 PolarHBondContact OG-OG 3.18Å
431Q28.4Very low31.2Very low213 Ų213100.7 Ų100.7100%0.99553%0.532SS*.SBendtrans-78.350.6166.1-62.1170.6-58.500111
432S28.8Very low31.2Very low53 Ų53107 Ų10737%0.37156%0.557SS.*SBendtrans-140.1126.5-177.664.40000112.6S430 R434S430-S432 PolarHBondContact O-N 3.47Å; S430-S432 PolarHBondContact OG-OG 3.18Å; S432-R434 PolarHBondContact O-N 2.93Å; S432-R434 PolarHBondContact OG-NE 2.89Å
433D30.1Very low31.3Very low133 Ų133113.2 Ų113.271%0.71157%0.574SS**  trans-64.567.9174.9-98.1-72.1000112.2K420 C435K420-D433 VanDerWaalsContact CE-OD1 3.32Å; K420-D433 WeakPolarHBondContact CE-OD1 3.38Å; K420-D433 IonicContact NZ-OD1 2.72Å; K420-D433 PolarHBondContact NZ-OD1 3.16Å; D433-C435 PolarHBondContact O-N 2.91Å
434R30.6Very low31.6Very low192 Ų192112.3 Ų112.373%0.72557%0.569SS**  trans-80.165.8175-70.4-174.4-178.6-143.8-0.5111.1S432 L436S432-R434 PolarHBondContact O-N 2.93Å; S432-R434 PolarHBondContact OG-NE 2.89Å; R434-L436 PolarHBondContact O-N 3.04Å
435C33.3Very low31.8Very low58 Ų58109.4 Ų109.439%0.39255%0.554SS.*  trans-70.3109.6176.1-56.50000110.5K420 D433 A437K420-C435 WeakPolarHBondContact CE-SG 3.45Å; D433-C435 PolarHBondContact O-N 2.91Å; C435-A437 PolarHBondContact O-N 3.44Å; C435-A437 VanDerWaalsContact O-N 3.09Å
436L33.2Very low32.2Very low100 Ų100111.6 Ų111.652%0.52456%0.556SS.*  trans-72.898.1167.2-95.6161000109.5L421 R434 I438L421-L436 HydrophobicContact CB-CB 4.25Å; L421-L436 HydrophobicContact CD1-CB 3.96Å; R434-L436 PolarHBondContact O-N 3.04Å; L436-I438 PolarHBondContact O-N 3.22Å
437A34.9Very low32.5Very low51 Ų51111 Ų11142%0.42156%0.555SS.*  trans-72.6116.5174.500000109.9C435 C439C435-A437 PolarHBondContact O-N 3.44Å; C435-A437 VanDerWaalsContact O-N 3.09Å; A437-C439 PolarHBondContact O-N 2.93Å
438I38.4Very low32.7Very low12 Ų12104 Ų1046%0.06253%0.534CS..SBendtrans-61.9-35.3179.9-62.2176.7000111F388 L419 L421 L436 A462 N465F388-I438 HydrophobicContact CE1-CG2 3.61Å; F388-I438 HydrophobicContact CZ-CG2 3.57Å; L419-I438 HydrophobicContact CB-CD1 4.13Å; L419-I438 HydrophobicContact CD1-CD1 4.04Å; L421-I438 HydrophobicContact CD1-CD1 4.18Å; L421-I438 HydrophobicContact CD1-CG1 3.95Å; L436-I438 PolarHBondContact O-N 3.22Å; I438-A462 WeakPolarHBondContact O-CA 3.34Å; I438-A462 WeakPolarHBondContact O-CB 3.41Å; I438-N465 HydrophobicContact CG1-CB 4.47Å; I438-N465 HydrophobicContact CG2-CB 4.19Å
439C33.2Very low33.2Very low57 Ų5797.2 Ų97.239%0.38550%0.502SS..SBendtrans-107.5108.7171.7-65.80000111.2A437 L441A437-C439 PolarHBondContact O-N 2.93Å; C439-L441 PolarHBondContact O-N 3.13Å
440I34.7Very low33.7Very low28 Ų2895.3 Ų95.314%0.14450%0.501CS..  trans-84.7103.9172.7-56.6177.7000108.9K442 N444 I445 P458 H461I440-K442 PolarHBondContact O-N 2.72Å; I440-N444 HydrophobicContact CG2-CB 4.03Å; I440-I445 HydrophobicContact CG2-CG1 3.86Å; I440-P458 HydrophobicContact CB-CB 4.09Å; I440-P458 WeakPolarHBondContact O-CB 3.47Å; I440-H461 HydrophobicContact CD1-CB 4.47Å
441L33.2Very low34Very low93 Ų93101.7 Ų101.749%0.48751%0.513SS..  trans-58.5138.3170.7-79.1167.2000110.3Y416 C439 R443 N444Y416-L441 HydrophobicContact CD1-CD1 4.36Å; Y416-L441 HydrophobicContact CE1-CD1 4.43Å; Y416-L441 HydrophobicContact CE1-CD2 4.38Å; C439-L441 PolarHBondContact O-N 3.13Å; L441-R443 PolarHBondContact O-N 3.09Å; L441-N444 PolarHBondContact O-N 3.32Å
442K32.4Very low34.3Very low176 Ų17697.4 Ų97.477%0.76549%0.492SS*.G310 helixtrans-50.9-27.6-169.9-154.4174.1-172.2175.70114.2I440 N444 I445I440-K442 PolarHBondContact O-N 2.72Å; K442-N444 VanDerWaalsContact C-N 3.32Å; K442-N444 PolarHBondContact O-N 3.34Å; K442-I445 HydrophobicContact CB-CD1 4.47Å; K442-I445 HydrophobicContact CG-CD1 4.06Å; K442-I445 PolarHBondContact O-N 3.31Å
443R33.4Very low34.4Very low230 Ų230101.4 Ų101.487%0.86851%0.509SS*.G310 helixtrans-66-23.8176.9-152.4172.9-170.11712.1114.5L441L441-R443 PolarHBondContact O-N 3.09Å
444N36.3Very low34.8Very low84 Ų8499 Ų9945%0.44950%0.495SS..G310 helixtrans-93.6-9.4-179-724.9000113.8I440 L441 K442 I446 S447 L448I440-N444 HydrophobicContact CG2-CB 4.03Å; L441-N444 PolarHBondContact O-N 3.32Å; K442-N444 VanDerWaalsContact C-N 3.32Å; K442-N444 PolarHBondContact O-N 3.34Å; N444-I446 VanDerWaalsContact C-N 3.26Å; N444-I446 PolarHBondContact O-N 2.95Å; N444-S447 PolarHBondContact O-N 3.16Å; N444-S447 PolarHBondContact O-OG 3.19Å; N444-S447 VanDerWaalsContact O-OG 3.14Å; N444-L448 HydrophobicContact CB-CD1 4.32Å; N444-L448 PolarHBondContact O-N 3.36Å; N444-L448 VanDerWaalsContact O-N 3.15Å
445I35.6Very low35.2Very low49 Ų49100.4 Ų100.425%0.25150%0.503SS..Hα-helixtrans-63.9-34.9-176.7-60.7174.7000110.9I440 K442 S447 G449 P458I440-I445 HydrophobicContact CG2-CG1 3.86Å; K442-I445 HydrophobicContact CB-CD1 4.47Å; K442-I445 HydrophobicContact CG-CD1 4.06Å; K442-I445 PolarHBondContact O-N 3.31Å; I445-S447 VanDerWaalsContact C-N 3.35Å; I445-S447 PolarHBondContact O-N 3.39Å; I445-G449 WeakPolarHBondContact O-CA 3.5Å; I445-G449 PolarHBondContact O-N 3.31Å; I445-P458 HydrophobicContact CD1-CB 4.13Å; I445-P458 HydrophobicContact CD1-CG 3.9Å
446I33.8Very low35.5Very low143 Ų143101.3 Ų101.373%0.73350%0.503SS*.Hα-helixtrans-68.2-33.2-178.7-57.1177000111.6N444 S450N444-I446 VanDerWaalsContact C-N 3.26Å; N444-I446 PolarHBondContact O-N 2.95Å; I446-S450 WeakPolarHBondContact O-CB 3.38Å; I446-S450 PolarHBondContact O-OG 3.05Å
447S38.8Very low36.1Very low65 Ų6599.9 Ų99.946%0.45550%0.499SS..Hα-helixtrans-89.6-18-179.858.20000114.8N444 I445N444-S447 PolarHBondContact O-N 3.16Å; N444-S447 PolarHBondContact O-OG 3.19Å; N444-S447 VanDerWaalsContact O-OG 3.14Å; I445-S447 VanDerWaalsContact C-N 3.35Å; I445-S447 PolarHBondContact O-N 3.39Å
448L35.6Very low36.5Very low73 Ų7399.2 Ų99.238%0.38249%0.49SS..Hα-helixtrans-95.2-41.5172.4-88.8137.9000112.8N444 S450 R451 F452N444-L448 HydrophobicContact CB-CD1 4.32Å; N444-L448 PolarHBondContact O-N 3.36Å; N444-L448 VanDerWaalsContact O-N 3.15Å; L448-S450 VanDerWaalsContact C-N 3.32Å; L448-S450 PolarHBondContact O-N 3.12Å; L448-R451 PolarHBondContact O-N 2.93Å; L448-F452 HydrophobicContact CD2-CD2 4.04Å; L448-F452 HydrophobicContact CD2-CE2 4.14Å; L448-F452 PolarHBondContact O-N 3.44Å
449G36.6Very low36.8Very low19 Ų19104.2 Ų104.220%0.19651%0.513CS..Hα-helixtrans-60-41.4178.100000112.3I445 R451 F452 N453I445-G449 WeakPolarHBondContact O-CA 3.5Å; I445-G449 PolarHBondContact O-N 3.31Å; G449-R451 PolarHBondContact O-N 2.7Å; G449-F452 PolarHBondContact O-N 3.11Å; G449-N453 WeakPolarHBondContact O-CA 3.47Å; G449-N453 PolarHBondContact O-N 3.35Å
450S38Very low37.5Very low96 Ų96107.3 Ų107.367%0.67152%0.52SS*.Hα-helixtrans-66.9-12.6173.153.60000114.9I446 L448I446-S450 WeakPolarHBondContact O-CB 3.38Å; I446-S450 PolarHBondContact O-OG 3.05Å; L448-S450 VanDerWaalsContact C-N 3.32Å; L448-S450 PolarHBondContact O-N 3.12Å
451R35.7Very low38.1Very low211 Ų211107.4 Ų107.480%0.79652%0.519SS*.Hα-helixtrans-106.9-21.9178.5-73.1-175.1171-167.9-2.4114.4L448 G449L448-R451 PolarHBondContact O-N 2.93Å; G449-R451 PolarHBondContact O-N 2.7Å
452F34.4Very low38.9Very low122 Ų122103.3 Ų103.354%0.53550%0.499SS..Hα-helixtrans-129.20.4-173.7-70.7-80.2000114.9L448 G449 L454L448-F452 HydrophobicContact CD2-CD2 4.04Å; L448-F452 HydrophobicContact CD2-CE2 4.14Å; L448-F452 PolarHBondContact O-N 3.44Å; G449-F452 PolarHBondContact O-N 3.11Å; F452-L454 HydrophobicContact CB-CD1 4.14Å; F452-L454 HydrophobicContact CB-CG 4.37Å; F452-L454 PolarHBondContact O-N 3.21Å; F452-L454 VanDerWaalsContact O-N 3.13Å
453N30.8Very low39.7Very low137 Ų13797 Ų9773%0.73347%0.473SS*.  trans60.419.7177.6-126.29.1000114.7G449 Y455G449-N453 WeakPolarHBondContact O-CA 3.47Å; G449-N453 PolarHBondContact O-N 3.35Å; N453-Y455 PolarHBondContact O-N 3.27Å
454L37.8Very low40.5Very low82 Ų8293.6 Ų93.643%0.42946%0.462SS..  trans-92.293.7-177.5-73.5168.8000111.6F452 L456F452-L454 HydrophobicContact CB-CD1 4.14Å; F452-L454 HydrophobicContact CB-CG 4.37Å; F452-L454 PolarHBondContact O-N 3.21Å; F452-L454 VanDerWaalsContact O-N 3.13Å; L454-L456 HydrophobicContact CD2-CD1 4.4Å; L454-L456 PolarHBondContact O-N 3.03Å
455Y38.5Very low41.1Very low223 Ų22390.9 Ų90.988%0.87545%0.447SS*.  trans-77.851.7171.1-74.9-92.1000112.5N453N453-Y455 PolarHBondContact O-N 3.27Å
456L40.9Very low41.9Very low76 Ų7689.7 Ų89.740%0.39844%0.442SS..  trans-101.8138.9175-75.2171.1000111.3L454 K460L454-L456 HydrophobicContact CD2-CD1 4.4Å; L454-L456 PolarHBondContact O-N 3.03Å; L456-K460 HydrophobicContact CD2-CB 4.25Å; L456-K460 HydrophobicContact CD2-CD 4.46Å
457T45.1Very low42.7Very low71 Ų7187 Ų8744%0.43642%0.424SS..  trans-64.2147.9166.552.80000109.6E459 K460 H461T457-E459 PolarHBondContact O-N 3.23Å; T457-K460 PolarHBondContact O-N 3Å; T457-K460 VanDerWaalsContact O-N 3.11Å; T457-K460 WeakPolarHBondContact OG1-CG 3.42Å; T457-H461 PolarHBondContact O-N 3.16Å; T457-H461 VanDerWaalsContact O-N 3.12Å
458P44.3Very low43.4Very low36 Ų3691.6 Ų91.623%0.23443%0.433CS..Hα-helixtrans-66.1-29.1-169.227.2-34.2000112.5I440 I445 H461 A462I440-P458 HydrophobicContact CB-CB 4.09Å; I440-P458 WeakPolarHBondContact O-CB 3.47Å; I445-P458 HydrophobicContact CD1-CB 4.13Å; I445-P458 HydrophobicContact CD1-CG 3.9Å; P458-H461 PolarHBondContact O-N 3.36Å; P458-A462 PolarHBondContact O-N 3.41Å
459E44.3Very low44.2Very low118 Ų11889.3 Ų89.355%0.55142%0.421SS*.Hα-helixtrans-61.8-50.4172.3-177.1166.4-123.300112.3T457 H461 A462 L463T457-E459 PolarHBondContact O-N 3.23Å; E459-H461 PolarHBondContact O-N 3.01Å; E459-A462 PolarHBondContact O-N 3.08Å; E459-A462 VanDerWaalsContact O-N 3.16Å; E459-L463 HydrophobicContact CG-CD1 4.33Å; E459-L463 PolarHBondContact O-N 2.97Å
460K46.7Very low45.1Very low121 Ų12188.5 Ų88.553%0.52641%0.412SS..Hα-helixtrans-60.7-34.6174-72-177178.4-175.90111.9L456 T457 Y464L456-K460 HydrophobicContact CD2-CB 4.25Å; L456-K460 HydrophobicContact CD2-CD 4.46Å; T457-K460 PolarHBondContact O-N 3Å; T457-K460 VanDerWaalsContact O-N 3.11Å; T457-K460 WeakPolarHBondContact OG1-CG 3.42Å; K460-Y464 WeakPolarHBondContact O-CB 3.48Å; K460-Y464 PolarHBondContact O-N 2.92Å
461H48.6Very low45.8Very low30 Ų3087.1 Ų87.114%0.13940%0.397CS..Hα-helixtrans-71.4-37176.4-152.6-30.2000112.7I440 T457 P458 E459 N465I440-H461 HydrophobicContact CD1-CB 4.47Å; T457-H461 PolarHBondContact O-N 3.16Å; T457-H461 VanDerWaalsContact O-N 3.12Å; P458-H461 PolarHBondContact O-N 3.36Å; E459-H461 PolarHBondContact O-N 3.01Å; H461-N465 PolarHBondContact ND1-ND2 3.15Å; H461-N465 WeakPolarHBondContact O-CB 3.31Å; H461-N465 PolarHBondContact O-N 2.8Å; H461-N465 VanDerWaalsContact O-N 3.15Å; H461-N465 PolarHBondContact O-ND2 3.16Å
462A49.1Very low46.8Very low8 Ų881.8 Ų81.87%0.06638%0.381CS..Hα-helixtrans-66.3-42.8174.100000112.1F388 I438 P458 E459 N465 L466F388-A462 HydrophobicContact CE2-CB 4.26Å; F388-A462 HydrophobicContact CZ-CB 4.15Å; I438-A462 WeakPolarHBondContact O-CA 3.34Å; I438-A462 WeakPolarHBondContact O-CB 3.41Å; P458-A462 PolarHBondContact O-N 3.41Å; E459-A462 PolarHBondContact O-N 3.08Å; E459-A462 VanDerWaalsContact O-N 3.16Å; A462-N465 PolarHBondContact O-N 3.4Å; A462-L466 PolarHBondContact O-N 3.2Å
463L50.3Low47.8Very low42 Ų4278.7 Ų78.722%0.2237%0.368CS..Hα-helixtrans-59.2-46.6173.7-89.3150.9000112.9V308 E459 N465 L466 K467V308-L463 HydrophobicContact CB-CD2 3.97Å; V308-L463 HydrophobicContact CG1-CD1 3.64Å; V308-L463 HydrophobicContact CG1-CD2 3.64Å; V308-L463 HydrophobicContact CG1-CG 4.08Å; E459-L463 HydrophobicContact CG-CD1 4.33Å; E459-L463 PolarHBondContact O-N 2.97Å; L463-N465 VanDerWaalsContact C-N 3.35Å; L463-N465 PolarHBondContact O-N 2.98Å; L463-L466 PolarHBondContact O-N 3.24Å; L463-K467 PolarHBondContact O-N 3.43Å
464Y49.4Very low49.2Very low159 Ų15975.3 Ų75.362%0.62435%0.347SS*.Hα-helixtrans-62.5-43.4178.6-166.7-89.8000111.7K460 K467 Y468K460-Y464 WeakPolarHBondContact O-CB 3.48Å; K460-Y464 PolarHBondContact O-N 2.92Å; Y464-K467 PolarHBondContact O-N 3.49Å; Y464-Y468 PolarHBondContact O-N 2.97Å
465N49.4Very low50Low27 Ų2776.3 Ų76.314%0.14435%0.353CS..Hα-helixtrans-65.2-39.7176.6-68.9-18.7000112.2I438 H461 A462 L463 L469I438-N465 HydrophobicContact CG1-CB 4.47Å; I438-N465 HydrophobicContact CG2-CB 4.19Å; H461-N465 PolarHBondContact ND1-ND2 3.15Å; H461-N465 WeakPolarHBondContact O-CB 3.31Å; H461-N465 PolarHBondContact O-N 2.8Å; H461-N465 VanDerWaalsContact O-N 3.15Å; H461-N465 PolarHBondContact O-ND2 3.16Å; A462-N465 PolarHBondContact O-N 3.4Å; L463-N465 VanDerWaalsContact C-N 3.35Å; L463-N465 PolarHBondContact O-N 2.98Å; N465-L469 WeakPolarHBondContact O-CB 3.38Å; N465-L469 PolarHBondContact O-N 3.11Å
466L52.2Low50.9Low25 Ų2568.9 Ų68.913%0.13133%0.329CS..Hα-helixtrans-60.4-52.8172.1-89.4178.4000111.2F388 I391 A462 L463 Y468 L469 F470F388-L466 HydrophobicContact CD1-CD1 4.33Å; F388-L466 HydrophobicContact CD1-CD2 4.14Å; F388-L466 HydrophobicContact CD1-CG 4.45Å; F388-L466 HydrophobicContact CE1-CD1 3.63Å; F388-L466 HydrophobicContact CE1-CD2 3.51Å; F388-L466 HydrophobicContact CE1-CG 3.49Å; F388-L466 VanDerWaalsContact CE1-CG 3.49Å; F388-L466 HydrophobicContact CE2-CD1 3.99Å; F388-L466 HydrophobicContact CZ-CD1 3.43Å; F388-L466 VanDerWaalsContact CZ-CD1 3.43Å; F388-L466 HydrophobicContact CZ-CD2 4.13Å; F388-L466 HydrophobicContact CZ-CG 3.57Å; I391-L466 HydrophobicContact CD1-CD1 3.86Å; I391-L466 HydrophobicContact CD1-CD2 4.02Å; I391-L466 HydrophobicContact CG2-CD2 4.08Å; A462-L466 PolarHBondContact O-N 3.2Å; L463-L466 PolarHBondContact O-N 3.24Å; L466-Y468 VanDerWaalsContact C-N 3.35Å; L466-Y468 PolarHBondContact O-N 3.41Å; L466-L469 WeakPolarHBondContact O-CA 3.48Å; L466-L469 WeakPolarHBondContact O-CB 3.22Å; L466-L469 PolarHBondContact O-N 3.03Å; L466-F470 HydrophobicContact CB-CD2 4.49Å; L466-F470 HydrophobicContact CD2-CE2 4.16Å; L466-F470 VanDerWaalsContact O-CD2 3.31Å; L466-F470 WeakPolarHBondContact O-CD2 3.27Å; L466-F470 PolarHBondContact O-N 3.48Å
467K51.6Low51.7Low86 Ų8666 Ų6637%0.37431%0.313SS..Hα-helixtrans-56.7-47.5-177.2179.1166.7-178.1167.30111.9Y309 L463 Y464 L469 F470 D471Y309-K467 HydrophobicContact CE2-CD 4.46Å; L463-K467 PolarHBondContact O-N 3.43Å; Y464-K467 PolarHBondContact O-N 3.49Å; K467-L469 PolarHBondContact O-N 2.97Å; K467-F470 PolarHBondContact O-N 3.32Å; K467-F470 VanDerWaalsContact O-N 3.15Å; K467-D471 WeakPolarHBondContact CG-OD2 3.17Å; K467-D471 WeakPolarHBondContact O-CB 3.41Å; K467-D471 VanDerWaalsContact O-CG 3.3Å; K467-D471 PolarHBondContact O-N 2.67Å
468Y51.9Low52.3Low162 Ų16265 Ų6564%0.63531%0.305SS*.Hα-helixtrans-57.8-37.6176.1-175.6-96.7000112.7Y464 L466 H472Y464-Y468 PolarHBondContact O-N 2.97Å; L466-Y468 VanDerWaalsContact C-N 3.35Å; L466-Y468 PolarHBondContact O-N 3.41Å; Y468-H472 VanDerWaalsContact O-CB 3.3Å; Y468-H472 WeakPolarHBondContact O-CB 3.32Å; Y468-H472 PolarHBondContact O-N 3.32Å
469L53.2Low52.9Low25 Ų2566.4 Ų66.413%0.13131%0.313CS..Hα-helixtrans-72.1-37.8178.5-155.8147.3000111.6F395 Y408 N465 L466 K467 F473F395-L469 HydrophobicContact CD2-CD2 4.45Å; F395-L469 HydrophobicContact CE1-CD2 4.45Å; F395-L469 HydrophobicContact CE2-CD2 3.73Å; F395-L469 HydrophobicContact CZ-CD2 3.74Å; Y408-L469 HydrophobicContact CE2-CD1 4.24Å; N465-L469 WeakPolarHBondContact O-CB 3.38Å; N465-L469 PolarHBondContact O-N 3.11Å; L466-L469 WeakPolarHBondContact O-CA 3.48Å; L466-L469 WeakPolarHBondContact O-CB 3.22Å; L466-L469 PolarHBondContact O-N 3.03Å; K467-L469 PolarHBondContact O-N 2.97Å; L469-F473 HydrophobicContact CD2-CD2 3.83Å; L469-F473 HydrophobicContact CD2-CE2 3.85Å; L469-F473 WeakPolarHBondContact O-CD2 3.49Å; L469-F473 PolarHBondContact O-N 3.25Å; L469-F473 VanDerWaalsContact O-N 3.15Å
470F55Low53.5Low2 Ų263.6 Ų63.61%0.00930%0.299CS..Hα-helixtrans-63.4-52.7170.6-85-79.4000112.2Y297 I301 I305 I391 F395 L466 K467 H472 F473 Q474Y297-F470 HydrophobicContact CE1-CD1 4.21Å; Y297-F470 HydrophobicContact CE2-CD1 4Å; Y297-F470 HydrophobicContact CE2-CE1 4.03Å; Y297-F470 AromaticContact CZ-CD1 3.56Å; Y297-F470 WeakPolarHBondContact OH-CA 3.38Å; Y297-F470 WeakPolarHBondContact OH-CD1 3.5Å; Y297-F470 PolarHBondContact OH-O 3.25Å; I301-F470 HydrophobicContact CD1-CB 4.47Å; I301-F470 HydrophobicContact CD1-CD1 3.79Å; I301-F470 HydrophobicContact CD1-CE1 4.48Å; I301-F470 HydrophobicContact CD1-CG 4.47Å; I301-F470 HydrophobicContact CG1-CD1 3.48Å; I301-F470 VanDerWaalsContact CG1-CD1 3.48Å; I301-F470 HydrophobicContact CG1-CE1 3.74Å; I301-F470 HydrophobicContact CG1-CG 4.25Å; I305-F470 HydrophobicContact CD1-CD2 3.64Å; I305-F470 HydrophobicContact CD1-CE2 3.82Å; I305-F470 HydrophobicContact CD1-CG 4.04Å; I305-F470 HydrophobicContact CD1-CZ 4.36Å; I391-F470 HydrophobicContact CD1-CE2 4.13Å; I391-F470 HydrophobicContact CD1-CZ 4.27Å; I391-F470 HydrophobicContact CG1-CE2 4.36Å; I391-F470 HydrophobicContact CG1-CZ 4.03Å; I391-F470 HydrophobicContact CG2-CE2 3.94Å; I391-F470 HydrophobicContact CG2-CZ 3.74Å; F395-F470 HydrophobicContact CE2-CE1 4.43Å; F395-F470 HydrophobicContact CE2-CZ 4.41Å; F395-F470 HydrophobicContact CZ-CD1 4.17Å; F395-F470 HydrophobicContact CZ-CE1 4.19Å; L466-F470 HydrophobicContact CB-CD2 4.49Å; L466-F470 HydrophobicContact CD2-CE2 4.16Å; L466-F470 VanDerWaalsContact O-CD2 3.31Å; L466-F470 WeakPolarHBondContact O-CD2 3.27Å; L466-F470 PolarHBondContact O-N 3.48Å; K467-F470 PolarHBondContact O-N 3.32Å; K467-F470 VanDerWaalsContact O-N 3.15Å; F470-H472 VanDerWaalsContact C-N 3.26Å; F470-H472 PolarHBondContact O-N 3.08Å; F470-F473 PolarHBondContact O-N 3.21Å; F470-F473 VanDerWaalsContact O-N 3.1Å; F470-Q474 WeakPolarHBondContact O-CB 3.27Å; F470-Q474 PolarHBondContact O-N 2.93Å
471D53.9Low54Low67 Ų6758.1 Ų58.136%0.35828%0.275SS..Hα-helixtrans-55.4-42.7178.6-68.3-27000110.8K467 N475K467-D471 WeakPolarHBondContact CG-OD2 3.17Å; K467-D471 WeakPolarHBondContact O-CB 3.41Å; K467-D471 VanDerWaalsContact O-CG 3.3Å; K467-D471 PolarHBondContact O-N 2.67Å; D471-N475 WeakPolarHBondContact O-CB 3.39Å; D471-N475 PolarHBondContact O-N 2.85Å; D471-N475 VanDerWaalsContact O-N 3.12Å; D471-N475 PolarHBondContact O-ND2 3.15Å
472H56.3Low54.2Low98 Ų9863.7 Ų63.745%0.45430%0.296SS..Hα-helixtrans-64.4-42.6177.1179.7-96.4000113.1Y468 F470 N476Y468-H472 VanDerWaalsContact O-CB 3.3Å; Y468-H472 WeakPolarHBondContact O-CB 3.32Å; Y468-H472 PolarHBondContact O-N 3.32Å; F470-H472 VanDerWaalsContact C-N 3.26Å; F470-H472 PolarHBondContact O-N 3.08Å; H472-N476 PolarHBondContact CE1-ND2 3.47Å; H472-N476 VanDerWaalsContact CE1-ND2 3.25Å; H472-N476 PolarHBondContact NE2-ND2 2.85Å; H472-N476 PolarHBondContact O-N 3.44Å; H472-N476 PolarHBondContact O-ND2 3.14Å
473F55.7Low54.4Low58 Ų5869.1 Ų69.125%0.25432%0.321SS..Hα-helixtrans-70-41.2177.8-96.3-84.8000112.4Y297 F395 L469 F470 N475 N476 L477Y297-F473 VanDerWaalsContact OH-CB 3.24Å; Y297-F473 WeakPolarHBondContact OH-CB 3.21Å; F395-F473 HydrophobicContact CD1-CD1 4.14Å; F395-F473 HydrophobicContact CD1-CD2 4.08Å; F395-F473 HydrophobicContact CD1-CE1 4.14Å; F395-F473 HydrophobicContact CD1-CE2 4.08Å; F395-F473 HydrophobicContact CD1-CG 4.11Å; F395-F473 HydrophobicContact CD1-CZ 4.11Å; F395-F473 HydrophobicContact CE1-CB 3.81Å; F395-F473 AromaticContact CE1-CD1 3.91Å; F395-F473 HydrophobicContact CE1-CD1 3.91Å; F395-F473 AromaticContact CE1-CD2 3.45Å; F395-F473 HydrophobicContact CE1-CD2 3.45Å; F395-F473 VanDerWaalsContact CE1-CD2 3.45Å; F395-F473 HydrophobicContact CE1-CE1 4.31Å; F395-F473 AromaticContact CE1-CE2 3.9Å; F395-F473 HydrophobicContact CE1-CE2 3.9Å; F395-F473 AromaticContact CE1-CG 3.45Å; F395-F473 HydrophobicContact CE1-CG 3.45Å; F395-F473 VanDerWaalsContact CE1-CG 3.45Å; F395-F473 HydrophobicContact CE1-CZ 4.3Å; F395-F473 HydrophobicContact CZ-CB 4.45Å; F395-F473 AromaticContact CZ-CD2 3.97Å; F395-F473 HydrophobicContact CZ-CD2 3.97Å; F395-F473 HydrophobicContact CZ-CE2 4.48Å; F395-F473 HydrophobicContact CZ-CG 4.28Å; L469-F473 HydrophobicContact CD2-CD2 3.83Å; L469-F473 HydrophobicContact CD2-CE2 3.85Å; L469-F473 WeakPolarHBondContact O-CD2 3.49Å; L469-F473 PolarHBondContact O-N 3.25Å; L469-F473 VanDerWaalsContact O-N 3.15Å; F470-F473 PolarHBondContact O-N 3.21Å; F470-F473 VanDerWaalsContact O-N 3.1Å; F473-N475 PolarHBondContact O-N 3.43Å; F473-N476 PolarHBondContact O-N 3.28Å; F473-L477 WeakPolarHBondContact O-CB 3.22Å; F473-L477 PolarHBondContact O-N 3.42Å
474Q58.7Low54.4Low66 Ų6671 Ų7131%0.30833%0.328SS..Hα-helixtrans-58-49.9177-169.8166.4-3.600111.4Y297 F470 N476 L477 L478Y297-Q474 HydrophobicContact CE1-CB 4Å; F470-Q474 WeakPolarHBondContact O-CB 3.27Å; F470-Q474 PolarHBondContact O-N 2.93Å; Q474-N476 VanDerWaalsContact C-N 3.35Å; Q474-N476 PolarHBondContact O-N 3.33Å; Q474-L477 PolarHBondContact O-N 2.87Å; Q474-L477 VanDerWaalsContact O-N 3.16Å; Q474-L478 HydrophobicContact CG-CD1 3.88Å; Q474-L478 PolarHBondContact O-N 3.44Å
475N55.9Low54.1Low103 Ų10366.4 Ų66.455%0.55131%0.314SS*.Hα-helixtrans-61.5-39.9178.4-78.3-65.8000112.5D471 F473 L477 T479D471-N475 WeakPolarHBondContact O-CB 3.39Å; D471-N475 PolarHBondContact O-N 2.85Å; D471-N475 VanDerWaalsContact O-N 3.12Å; D471-N475 PolarHBondContact O-ND2 3.15Å; F473-N475 PolarHBondContact O-N 3.43Å; N475-L477 PolarHBondContact O-N 2.67Å; N475-T479 VanDerWaalsContact O-CB 3.31Å; N475-T479 WeakPolarHBondContact O-CB 3.39Å; N475-T479 PolarHBondContact O-N 3.42Å; N475-T479 PolarHBondContact O-OG1 3.41Å
476N56.6Low53.7Low67 Ų6771.2 Ų71.236%0.35834%0.339SS..Hα-helixtrans-66.5-33.8175.5-86.9-81.6000113.1H472 F473 Q474 K480H472-N476 PolarHBondContact CE1-ND2 3.47Å; H472-N476 VanDerWaalsContact CE1-ND2 3.25Å; H472-N476 PolarHBondContact NE2-ND2 2.85Å; H472-N476 PolarHBondContact O-N 3.44Å; H472-N476 PolarHBondContact O-ND2 3.14Å; F473-N476 PolarHBondContact O-N 3.28Å; Q474-N476 VanDerWaalsContact C-N 3.35Å; Q474-N476 PolarHBondContact O-N 3.33Å; N476-K480 WeakPolarHBondContact O-CG 3.49Å; N476-K480 PolarHBondContact O-N 3.11Å
477L57.5Low53.2Low14 Ų1475.1 Ų75.17%0.07336%0.363CS..Hα-helixtrans-75.1-45.2180-163.4141.1000111.4N294 I398 L402 F473 Q474 N475 T479 K480 I481N294-L477 HydrophobicContact CB-CD2 3.76Å; I398-L477 HydrophobicContact CG2-CD1 4.5Å; L402-L477 HydrophobicContact CD1-CD1 4.27Å; F473-L477 WeakPolarHBondContact O-CB 3.22Å; F473-L477 PolarHBondContact O-N 3.42Å; Q474-L477 PolarHBondContact O-N 2.87Å; Q474-L477 VanDerWaalsContact O-N 3.16Å; N475-L477 PolarHBondContact O-N 2.67Å; L477-T479 VanDerWaalsContact C-N 3.35Å; L477-T479 PolarHBondContact O-N 3.32Å; L477-K480 PolarHBondContact O-N 2.97Å; L477-I481 HydrophobicContact CD2-CD1 3.85Å; L477-I481 PolarHBondContact O-N 2.71Å; L477-I481 VanDerWaalsContact O-N 3.14Å
478L58Low52.4Low50 Ų5073.5 Ų73.526%0.26237%0.371SS..Hα-helixtrans-58.1-43.3170.1-89140.5000112.4Q474 K480 I481 Y482Q474-L478 HydrophobicContact CG-CD1 3.88Å; Q474-L478 PolarHBondContact O-N 3.44Å; L478-K480 VanDerWaalsContact C-N 3.27Å; L478-K480 PolarHBondContact O-N 3.4Å; L478-I481 PolarHBondContact O-N 3.32Å; L478-I481 VanDerWaalsContact O-N 3.16Å; L478-Y482 HydrophobicContact CB-CE2 4.4Å; L478-Y482 HydrophobicContact CD2-CE2 3.76Å; L478-Y482 WeakPolarHBondContact O-CD2 3.36Å; L478-Y482 PolarHBondContact O-N 2.74Å
479T57.4Low51.4Low67 Ų6775 Ų7541%0.41138%0.381SS..Hα-helixtrans-58.9-39178.3-60.10000111.8N475 L477 Q483N475-T479 VanDerWaalsContact O-CB 3.31Å; N475-T479 WeakPolarHBondContact O-CB 3.39Å; N475-T479 PolarHBondContact O-N 3.42Å; N475-T479 PolarHBondContact O-OG1 3.41Å; L477-T479 VanDerWaalsContact C-N 3.35Å; L477-T479 PolarHBondContact O-N 3.32Å; T479-Q483 HydrophobicContact CG2-CG 4.46Å; T479-Q483 WeakPolarHBondContact O-CB 3.23Å; T479-Q483 VanDerWaalsContact O-CG 3.26Å; T479-Q483 WeakPolarHBondContact O-CG 3.45Å; T479-Q483 PolarHBondContact O-N 3.36Å
480K56.7Low50.3Low59 Ų5983.4 Ų83.426%0.25743%0.433SS..Hα-helixtrans-70.9-36176.5-72.1171.1-174.2168.10113.1N476 L477 L478 Q483 H484N476-K480 WeakPolarHBondContact O-CG 3.49Å; N476-K480 PolarHBondContact O-N 3.11Å; L477-K480 PolarHBondContact O-N 2.97Å; L478-K480 VanDerWaalsContact C-N 3.27Å; L478-K480 PolarHBondContact O-N 3.4Å; K480-Q483 PolarHBondContact O-N 2.98Å; K480-H484 PolarHBondContact O-CD2 2.87Å; K480-H484 VanDerWaalsContact O-CD2 3.23Å; K480-H484 PolarHBondContact O-N 3.02Å
481I56.1Low50.1Low5 Ų587.5 Ų87.53%0.02645%0.454CS..Hα-helixtrans-59.8-53173.4-68.5168.1000109.6L290 Y291 L477 L478 Q483 H484 D485L290-I481 HydrophobicContact CB-CD1 4.26Å; L290-I481 HydrophobicContact CB-CG1 3.86Å; L290-I481 HydrophobicContact CD1-CG1 4.4Å; Y291-I481 HydrophobicContact CE1-CG2 4.23Å; Y291-I481 HydrophobicContact CE2-CG2 4.28Å; L477-I481 HydrophobicContact CD2-CD1 3.85Å; L477-I481 PolarHBondContact O-N 2.71Å; L477-I481 VanDerWaalsContact O-N 3.14Å; L478-I481 PolarHBondContact O-N 3.32Å; L478-I481 VanDerWaalsContact O-N 3.16Å; I481-Q483 PolarHBondContact O-N 3.49Å; I481-H484 PolarHBondContact O-N 2.66Å; I481-D485 PolarHBondContact O-N 3.19Å
482Y53.4Low49.9Very low147 Ų14788.6 Ų88.658%0.57646%0.459SS*.Hα-helixtrans-64.1-37.4178.7-67.6-58.1000113.5L478 H484 I486L478-Y482 HydrophobicContact CB-CE2 4.4Å; L478-Y482 HydrophobicContact CD2-CE2 3.76Å; L478-Y482 WeakPolarHBondContact O-CD2 3.36Å; L478-Y482 PolarHBondContact O-N 2.74Å; Y482-H484 VanDerWaalsContact C-N 3.31Å; Y482-H484 PolarHBondContact O-N 3.1Å; Y482-I486 WeakPolarHBondContact O-CD1 3.42Å; Y482-I486 VanDerWaalsContact O-CG1 3.31Å; Y482-I486 WeakPolarHBondContact O-CG1 3.45Å; Y482-I486 PolarHBondContact O-N 3.25Å
483Q53.9Low49.5Very low123 Ų12388.1 Ų88.158%0.57546%0.46SS*.Hα-helixtrans-64-34.6174.8-80.4177.5-6.200112.8T479 K480 I481 V487T479-Q483 HydrophobicContact CG2-CG 4.46Å; T479-Q483 WeakPolarHBondContact O-CB 3.23Å; T479-Q483 VanDerWaalsContact O-CG 3.26Å; T479-Q483 WeakPolarHBondContact O-CG 3.45Å; T479-Q483 PolarHBondContact O-N 3.36Å; K480-Q483 PolarHBondContact O-N 2.98Å; I481-Q483 PolarHBondContact O-N 3.49Å; Q483-V487 WeakPolarHBondContact O-CG2 3.29Å
484H49.6Very low49.2Very low80 Ų8089.8 Ų89.837%0.3747%0.472SS..Hα-helixtrans-71.3-49.2175.3-84.1-57000111.8Y283 K480 I481 Y482 I486 V487Y283-H484 HydrophobicContact CE2-CB 4.11Å; Y283-H484 WeakPolarHBondContact OH-CB 3.43Å; Y283-H484 PolarHBondContact OH-O 2.9Å; K480-H484 PolarHBondContact O-CD2 2.87Å; K480-H484 VanDerWaalsContact O-CD2 3.23Å; K480-H484 PolarHBondContact O-N 3.02Å; I481-H484 PolarHBondContact O-N 2.66Å; Y482-H484 VanDerWaalsContact C-N 3.31Å; Y482-H484 PolarHBondContact O-N 3.1Å; H484-I486 VanDerWaalsContact C-N 3.25Å; H484-I486 PolarHBondContact O-N 2.94Å; H484-V487 WeakPolarHBondContact O-CB 2.94Å; H484-V487 PolarHBondContact O-N 2.9Å
485D44.1Very low48.6Very low63 Ų6391.3 Ų91.334%0.33748%0.482SS..Hα-helixtrans-64.9-27.1-174.8-73.8-24000113.7Y283 I481 V487 G488Y283-D485 WeakPolarHBondContact OH-CA 3.37Å; Y283-D485 PolarHBondContact OH-N 2.95Å; Y283-D485 PolarHBondContact OH-OD1 3.29Å; I481-D485 PolarHBondContact O-N 3.19Å; D485-V487 VanDerWaalsContact C-N 3.29Å; D485-V487 PolarHBondContact O-N 2.78Å; D485-G488 PolarHBondContact O-N 2.85Å
486I41Very low48.1Very low129 Ų12990.5 Ų90.566%0.66248%0.477SS*.Hα-helixtrans-67.1-28.4172.4-68.9168000112.3Y482 H484 G488Y482-I486 WeakPolarHBondContact O-CD1 3.42Å; Y482-I486 VanDerWaalsContact O-CG1 3.31Å; Y482-I486 WeakPolarHBondContact O-CG1 3.45Å; Y482-I486 PolarHBondContact O-N 3.25Å; H484-I486 VanDerWaalsContact C-N 3.25Å; H484-I486 PolarHBondContact O-N 2.94Å; I486-G488 PolarHBondContact O-N 3.1Å
487V40.7Very low47.5Very low106 Ų10692.2 Ų92.264%0.64249%0.486SS*.G310 helixtrans-77.7-5.7176.3179.60000111.8Q483 H484 D485 F489Q483-V487 WeakPolarHBondContact O-CG2 3.29Å; H484-V487 WeakPolarHBondContact O-CB 2.94Å; H484-V487 PolarHBondContact O-N 2.9Å; D485-V487 VanDerWaalsContact C-N 3.29Å; D485-V487 PolarHBondContact O-N 2.78Å; V487-F489 VanDerWaalsContact C-N 3.32Å; V487-F489 PolarHBondContact O-N 3.42Å
488G34.4Very low46.7Very low52 Ų5298.2 Ų98.254%0.53652%0.518SS..G310 helixtrans-80.62.1175.600000116.1D485 I486D485-G488 PolarHBondContact O-N 2.85Å; I486-G488 PolarHBondContact O-N 3.1Å
489F31.1Very low45.8Very low193 Ų193102.3 Ų102.385%0.84654%0.539SS*.G310 helixtrans-128.813.8-167.4-132.7-90.7000116.2V487V487-F489 VanDerWaalsContact C-N 3.32Å; V487-F489 PolarHBondContact O-N 3.42Å
490V30.7Very low44.7Very low203 Ų203105.5 Ų105.5100%1.2355%0.551SS**  trans-137.70174.8-174.20000110.8

Retrieved 490 of 490 residues in 613.3 ms (Link to these results)

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