A0A060YDS7_ONCMY Loading...

S100 calcium binding protein, beta (neural)

AlphaFold DB , UniProt , Accession A0A060YDS7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527533, Length 95 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
1M77.8Confident92.9Very high180 Ų18089.8 Ų89.889%0.88750%0.504SS*.  0139.10-80.9165.9141.500107.4E5M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CB-CB 4.25Å; M1-E5 HydrophobicContact CG-CB 4.38Å
2T95.8Very high92.9Very high81 Ų8189.8 Ų89.850%0.49750%0.499SS..  trans-73.9164.9169.561.70000110L4 E5 S6T2-L4 VanDerWaalsContact C-N 3.27Å; T2-L4 PolarHBondContact O-N 2.85Å; T2-E5 PolarHBondContact N-OE2 3.33Å; T2-E5 PolarHBondContact O-N 3.46Å; T2-E5 VanDerWaalsContact OG1-CG 3.28Å; T2-E5 WeakPolarHBondContact OG1-CG 3.47Å; T2-E5 PolarHBondContact OG1-N 3.23Å; T2-E5 PolarHBondContact OG1-OE2 3.42Å; T2-S6 PolarHBondContact O-N 2.91Å; T2-S6 PolarHBondContact O-OG 3.05Å
3D95.3Very high92.9Very high142 Ų14291.5 Ų91.576%0.75950%0.501SS*.Hα-helixtrans-59.5-41.3-179.8-61.9-19.6000111.1S6 S7D3-S6 WeakPolarHBondContact O-CB 3.24Å; D3-S6 PolarHBondContact O-N 3.35Å; D3-S7 PolarHBondContact O-N 2.8Å; D3-S7 PolarHBondContact O-OG 3.25Å
4L93.3Very high93Very high122 Ų12286.4 Ų86.464%0.63947%0.473SS*.Hα-helixtrans-64.6-44.1177.9-177.860000112.6T2 S6 S7 L8T2-L4 VanDerWaalsContact C-N 3.27Å; T2-L4 PolarHBondContact O-N 2.85Å; L4-S6 PolarHBondContact O-N 3.48Å; L4-S7 PolarHBondContact O-N 3.28Å; L4-L8 HydrophobicContact CD1-CD1 4.49Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.44Å; L4-L8 PolarHBondContact O-N 3.05Å
5E93.7Very high93.1Very high101 Ų10180.9 Ų80.947%0.47244%0.443SS..Hα-helixtrans-59.5-37.2174.6-72.9170.7152.700111.5M1 T2 A9M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CB-CB 4.25Å; M1-E5 HydrophobicContact CG-CB 4.38Å; T2-E5 PolarHBondContact N-OE2 3.33Å; T2-E5 PolarHBondContact O-N 3.46Å; T2-E5 VanDerWaalsContact OG1-CG 3.28Å; T2-E5 WeakPolarHBondContact OG1-CG 3.47Å; T2-E5 PolarHBondContact OG1-N 3.23Å; T2-E5 PolarHBondContact OG1-OE2 3.42Å; E5-A9 WeakPolarHBondContact O-CB 3.5Å; E5-A9 PolarHBondContact O-N 3.06Å
6S94.8Very high93Very high47 Ų4780.6 Ų80.633%0.32944%0.437SS..Hα-helixtrans-71.4-39.1179.2-51.40000111.8T2 D3 L4 A9 T10T2-S6 PolarHBondContact O-N 2.91Å; T2-S6 PolarHBondContact O-OG 3.05Å; D3-S6 WeakPolarHBondContact O-CB 3.24Å; D3-S6 PolarHBondContact O-N 3.35Å; L4-S6 PolarHBondContact O-N 3.48Å; S6-A9 PolarHBondContact O-N 2.8Å; S6-T10 PolarHBondContact O-N 2.76Å; S6-T10 PolarHBondContact O-OG1 2.62Å
7S93.8Very high92.9Very high65 Ų6582.5 Ų82.546%0.45544%0.436SS..Hα-helixtrans-65.2-44.5174.4-62.50000111.9D3 L4 A9 T10 I11D3-S7 PolarHBondContact O-N 2.8Å; D3-S7 PolarHBondContact O-OG 3.25Å; L4-S7 PolarHBondContact O-N 3.28Å; S7-A9 VanDerWaalsContact C-N 3.34Å; S7-A9 PolarHBondContact O-N 2.95Å; S7-T10 WeakPolarHBondContact O-CB 3.34Å; S7-T10 PolarHBondContact O-N 3.37Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å; S7-I11 PolarHBondContact O-N 3.28Å
8L93.9Very high92.9Very high85 Ų8578 Ų7845%0.44541%0.413SS..Hα-helixtrans-62-42.4175.8-69.4172.9000111.5L4 T10 I11 M12L4-L8 HydrophobicContact CD1-CD1 4.49Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.44Å; L4-L8 PolarHBondContact O-N 3.05Å; L8-T10 VanDerWaalsContact C-N 3.31Å; L8-T10 PolarHBondContact O-N 2.91Å; L8-I11 PolarHBondContact O-N 3.02Å; L8-M12 WeakPolarHBondContact O-CG 3.36Å; L8-M12 PolarHBondContact O-N 3.12Å; L8-M12 VanDerWaalsContact O-N 3.1Å
9A93.7Very high92.7Very high42 Ų4273.9 Ų73.935%0.34739%0.391SS..Hα-helixtrans-61.2-41.1174.700000111.9E5 S6 S7 M12 E13E5-A9 WeakPolarHBondContact O-CB 3.5Å; E5-A9 PolarHBondContact O-N 3.06Å; S6-A9 PolarHBondContact O-N 2.8Å; S7-A9 VanDerWaalsContact C-N 3.34Å; S7-A9 PolarHBondContact O-N 2.95Å; A9-M12 PolarHBondContact O-N 3.48Å; A9-E13 WeakPolarHBondContact O-CB 3.34Å; A9-E13 PolarHBondContact O-N 2.96Å
10T95.2Very high92.3Very high80 Ų8077.1 Ų77.149%0.49140%0.404SS..Hα-helixtrans-61.2-45.1175.9-55.90000111.7S6 S7 L8 M12 E13 V14S6-T10 PolarHBondContact O-N 2.76Å; S6-T10 PolarHBondContact O-OG1 2.62Å; S7-T10 WeakPolarHBondContact O-CB 3.34Å; S7-T10 PolarHBondContact O-N 3.37Å; L8-T10 VanDerWaalsContact C-N 3.31Å; L8-T10 PolarHBondContact O-N 2.91Å; T10-M12 VanDerWaalsContact C-N 3.32Å; T10-M12 PolarHBondContact O-N 2.83Å; T10-E13 PolarHBondContact O-N 2.91Å; T10-V14 HydrophobicContact CG2-CG2 4.44Å; T10-V14 WeakPolarHBondContact O-CG2 3.39Å; T10-V14 PolarHBondContact O-N 3.12Å
11I94.6Very high91.5Very high43 Ų4377.8 Ų77.822%0.22140%0.403CS..Hα-helixtrans-59.5-44.4178-67.6164.8000110.7S7 L8 V14 F15 F74 M75 I78S7-I11 WeakPolarHBondContact O-CG1 3.43Å; S7-I11 PolarHBondContact O-N 3.28Å; L8-I11 PolarHBondContact O-N 3.02Å; I11-V14 PolarHBondContact O-N 2.92Å; I11-F15 PolarHBondContact O-N 3.34Å; I11-F74 HydrophobicContact CG2-CE1 3.86Å; I11-M75 HydrophobicContact CG2-SD 3.76Å; I11-I78 HydrophobicContact CD1-CG2 4.31Å; I11-I78 HydrophobicContact CG2-CG1 4.37Å
12M93.2Very high91.2Very high90 Ų9075 Ų7544%0.44339%0.388SS..Hα-helixtrans-64.5-41.5176.8-67.7175.666.500112.3L8 A9 T10 F15 H16 F71L8-M12 WeakPolarHBondContact O-CG 3.36Å; L8-M12 PolarHBondContact O-N 3.12Å; L8-M12 VanDerWaalsContact O-N 3.1Å; A9-M12 PolarHBondContact O-N 3.48Å; T10-M12 VanDerWaalsContact C-N 3.32Å; T10-M12 PolarHBondContact O-N 2.83Å; M12-F15 PolarHBondContact O-N 3.44Å; M12-H16 PolarHBondContact O-N 3.05Å; M12-H16 PolarHBondContact O-ND1 2.87Å; M12-F71 HydrophobicContact CG-CE2 4.14Å; M12-F71 HydrophobicContact CG-CZ 3.8Å
13E93.3Very high89.9Confident112 Ų11273.9 Ų73.952%0.52339%0.393SS..Hα-helixtrans-64.4-43.4178.5-167.7-169.4143.700111.4A9 T10 H16 R17A9-E13 WeakPolarHBondContact O-CB 3.34Å; A9-E13 PolarHBondContact O-N 2.96Å; T10-E13 PolarHBondContact O-N 2.91Å; E13-H16 PolarHBondContact O-N 3.4Å; E13-R17 WeakPolarHBondContact O-CB 3.46Å; E13-R17 PolarHBondContact O-N 2.91Å; E13-R17 IonicContact OE1-NH2 3.83Å; E13-R17 PolarHBondContact OE1-NH2 3.22Å
14V94.3Very high89Confident19 Ų1970.8 Ų70.812%0.11538%0.376CS..Hα-helixtrans-59.3-50.9174.6168.80000109.6T10 I11 H16 R17 Y18 L36 E40T10-V14 HydrophobicContact CG2-CG2 4.44Å; T10-V14 WeakPolarHBondContact O-CG2 3.39Å; T10-V14 PolarHBondContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 2.92Å; V14-H16 PolarHBondContact O-N 3Å; V14-R17 WeakPolarHBondContact O-CB 3.21Å; V14-R17 PolarHBondContact O-N 3.27Å; V14-R17 VanDerWaalsContact O-N 3.12Å; V14-Y18 HydrophobicContact CG1-CD2 4.05Å; V14-Y18 HydrophobicContact CG1-CE2 4.01Å; V14-Y18 VanDerWaalsContact O-CD2 3.24Å; V14-Y18 WeakPolarHBondContact O-CD2 3.21Å; V14-Y18 PolarHBondContact O-N 3.32Å; V14-L36 HydrophobicContact CG1-CD1 3.93Å; V14-L36 HydrophobicContact CG1-CG 4.23Å; V14-E40 HydrophobicContact CG1-CG 4.05Å
15F93.3Very high88.5Confident4 Ų471.4 Ų71.42%0.01837%0.374CS..Hα-helixtrans-52.5-53.9178-179.2-101.2000112.1I11 M12 R17 Y18 T19 H26 L28 F71 F74I11-F15 PolarHBondContact O-N 3.34Å; M12-F15 PolarHBondContact O-N 3.44Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 3.45Å; F15-Y18 PolarHBondContact O-N 3.03Å; F15-Y18 VanDerWaalsContact O-N 3.12Å; F15-T19 HydrophobicContact CD1-CG2 4.08Å; F15-T19 HydrophobicContact CD2-CG2 4.29Å; F15-T19 HydrophobicContact CE1-CG2 3.69Å; F15-T19 HydrophobicContact CE2-CG2 3.93Å; F15-T19 HydrophobicContact CG-CG2 4.38Å; F15-T19 HydrophobicContact CZ-CG2 3.6Å; F15-T19 WeakPolarHBondContact O-CG2 3.48Å; F15-T19 PolarHBondContact O-N 2.77Å; F15-T19 PolarHBondContact O-OG1 3.18Å; F15-H26 WeakPolarHBondContact CZ-O 3.43Å; F15-L28 HydrophobicContact CD2-CD1 3.61Å; F15-L28 HydrophobicContact CD2-CG 3.96Å; F15-L28 HydrophobicContact CE2-CD1 3.6Å; F15-L28 HydrophobicContact CE2-CG 3.63Å; F15-L28 HydrophobicContact CZ-CG 4.43Å; F15-F71 HydrophobicContact CB-CD2 4.14Å; F15-F71 HydrophobicContact CB-CE2 4.16Å; F15-F71 AromaticContact CD1-CD2 3.63Å; F15-F71 HydrophobicContact CD1-CD2 3.63Å; F15-F71 HydrophobicContact CD1-CE2 4.4Å; F15-F71 HydrophobicContact CD2-CD2 4.11Å; F15-F71 HydrophobicContact CE1-CB 4.01Å; F15-F71 AromaticContact CE1-CD2 3.99Å; F15-F71 HydrophobicContact CE1-CD2 3.99Å; F15-F71 HydrophobicContact CE1-CG 4.5Å; F15-F71 HydrophobicContact CE2-CD2 4.42Å; F15-F71 AromaticContact CG-CD2 3.69Å; F15-F71 HydrophobicContact CG-CD2 3.69Å; F15-F71 HydrophobicContact CG-CE2 4.22Å; F15-F71 HydrophobicContact CZ-CB 4.05Å; F15-F71 HydrophobicContact CZ-CD2 4.36Å; F15-F74 HydrophobicContact CB-CD1 4.06Å; F15-F74 HydrophobicContact CB-CE1 3.84Å; F15-F74 HydrophobicContact CB-CZ 4.42Å; F15-F74 HydrophobicContact CD2-CB 3.75Å; F15-F74 AromaticContact CD2-CD1 3.42Å; F15-F74 HydrophobicContact CD2-CD1 3.42Å; F15-F74 VanDerWaalsContact CD2-CD1 3.42Å; F15-F74 HydrophobicContact CD2-CD2 4.02Å; F15-F74 AromaticContact CD2-CE1 3.96Å; F15-F74 HydrophobicContact CD2-CE1 3.96Å; F15-F74 HydrophobicContact CD2-CE2 4.49Å; F15-F74 AromaticContact CD2-CG 3.44Å; F15-F74 HydrophobicContact CD2-CG 3.44Å; F15-F74 VanDerWaalsContact CD2-CG 3.44Å; F15-F74 HydrophobicContact CD2-CZ 4.45Å; F15-F74 HydrophobicContact CE2-CB 3.62Å; F15-F74 HydrophobicContact CE2-CD1 4.19Å; F15-F74 AromaticContact CE2-CG 3.87Å; F15-F74 HydrophobicContact CE2-CG 3.87Å; F15-F74 HydrophobicContact CG-CD1 4.06Å; F15-F74 HydrophobicContact CG-CE1 4.32Å; F15-F74 HydrophobicContact CG-CG 4.48Å
16H91.8Very high88.2Confident77 Ų7772.8 Ų72.836%0.35638%0.38SS..Hα-helixtrans-61.3-37179.7-66145.1000113.1M12 E13 V14 Y18 T19 E20M12-H16 PolarHBondContact O-N 3.05Å; M12-H16 PolarHBondContact O-ND1 2.87Å; E13-H16 PolarHBondContact O-N 3.4Å; V14-H16 PolarHBondContact O-N 3Å; H16-Y18 PolarHBondContact O-N 3.26Å; H16-T19 WeakPolarHBondContact CA-OG1 2.95Å; H16-T19 PolarHBondContact O-N 3.47Å; H16-T19 PolarHBondContact O-OG1 2.91Å; H16-E20 WeakPolarHBondContact O-CB 3.38Å; H16-E20 VanDerWaalsContact O-CG 3.24Å; H16-E20 WeakPolarHBondContact O-CG 3.32Å; H16-E20 PolarHBondContact O-N 3.12Å
17R92.3Very high88.1Confident112 Ų11271.9 Ų71.942%0.42337%0.37SS..Hα-helixtrans-59.1-33.8177.7-176.2-173.8-61.4166.91112.3E13 V14 F15 E40E13-R17 WeakPolarHBondContact O-CB 3.46Å; E13-R17 PolarHBondContact O-N 2.91Å; E13-R17 IonicContact OE1-NH2 3.83Å; E13-R17 PolarHBondContact OE1-NH2 3.22Å; V14-R17 WeakPolarHBondContact O-CB 3.21Å; V14-R17 PolarHBondContact O-N 3.27Å; V14-R17 VanDerWaalsContact O-N 3.12Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 3.45Å; R17-E40 IonicContact NH1-OE1 2.96Å; R17-E40 PolarHBondContact NH1-OE1 3.01Å; R17-E40 VanDerWaalsContact NH1-OE1 3.16Å
18Y92.3Very high88.1Confident2 Ų268.8 Ų68.81%0.00835%0.349CS..Hα-helixtrans-91.4-30.5-179.2-71.6-89.1000113V14 F15 H16 K21 E32 D35 L36 E39 E40V14-Y18 HydrophobicContact CG1-CD2 4.05Å; V14-Y18 HydrophobicContact CG1-CE2 4.01Å; V14-Y18 VanDerWaalsContact O-CD2 3.24Å; V14-Y18 WeakPolarHBondContact O-CD2 3.21Å; V14-Y18 PolarHBondContact O-N 3.32Å; F15-Y18 PolarHBondContact O-N 3.03Å; F15-Y18 VanDerWaalsContact O-N 3.12Å; H16-Y18 PolarHBondContact O-N 3.26Å; Y18-K21 HydrophobicContact CD1-CD 4.35Å; Y18-K21 VanDerWaalsContact CD1-NZ 3.31Å; Y18-E32 WeakPolarHBondContact O-CG 3.21Å; Y18-D35 HydrophobicContact CD1-CB 4.21Å; Y18-D35 HydrophobicContact CE1-CB 4.07Å; Y18-L36 HydrophobicContact CD1-CB 3.85Å; Y18-L36 HydrophobicContact CD2-CB 4.01Å; Y18-L36 HydrophobicContact CD2-CD1 3.8Å; Y18-L36 HydrophobicContact CD2-CG 3.95Å; Y18-L36 HydrophobicContact CE1-CB 4.04Å; Y18-L36 HydrophobicContact CE2-CB 4.21Å; Y18-L36 HydrophobicContact CE2-CD1 4.41Å; Y18-L36 HydrophobicContact CE2-CG 4.11Å; Y18-L36 HydrophobicContact CG-CB 3.88Å; Y18-L36 HydrophobicContact CG-CD1 4.11Å; Y18-L36 HydrophobicContact CG-CG 4.29Å; Y18-E39 WeakPolarHBondContact CE1-OE2 3.32Å; Y18-E39 VanDerWaalsContact OH-CB 3.29Å; Y18-E39 WeakPolarHBondContact OH-CB 3.48Å; Y18-E39 PolarHBondContact OH-OE2 3.31Å; Y18-E40 HydrophobicContact CE2-CG 3.79Å; Y18-E40 PolarHBondContact OH-OE1 3.34Å
19T89.7Confident88Confident1 Ų167.5 Ų67.51%0.00634%0.34CS..Hα-helixtrans-75.8-20174.562.30000113.8F15 H16 K21 K25 K27 L28F15-T19 HydrophobicContact CD1-CG2 4.08Å; F15-T19 HydrophobicContact CD2-CG2 4.29Å; F15-T19 HydrophobicContact CE1-CG2 3.69Å; F15-T19 HydrophobicContact CE2-CG2 3.93Å; F15-T19 HydrophobicContact CG-CG2 4.38Å; F15-T19 HydrophobicContact CZ-CG2 3.6Å; F15-T19 WeakPolarHBondContact O-CG2 3.48Å; F15-T19 PolarHBondContact O-N 2.77Å; F15-T19 PolarHBondContact O-OG1 3.18Å; H16-T19 WeakPolarHBondContact CA-OG1 2.95Å; H16-T19 PolarHBondContact O-N 3.47Å; H16-T19 PolarHBondContact O-OG1 2.91Å; T19-K21 PolarHBondContact O-N 2.77Å; T19-K25 WeakPolarHBondContact CB-O 3.39Å; T19-K25 PolarHBondContact OG1-O 2.78Å; T19-K27 VanDerWaalsContact CG2-C 3.46Å; T19-K27 WeakPolarHBondContact CG2-O 3.4Å; T19-L28 HydrophobicContact CG2-CB 4.41Å; T19-L28 HydrophobicContact CG2-CD2 3.5Å; T19-L28 VanDerWaalsContact CG2-CD2 3.5Å; T19-L28 HydrophobicContact CG2-CG 3.58Å
20E84.9Confident87.8Confident137 Ų13767.3 Ų67.364%0.6433%0.331SS*.THydrogen-bonded Turntrans-74.3-8.8176.8-79.5-176.8170.900113.7H16H16-E20 WeakPolarHBondContact O-CB 3.38Å; H16-E20 VanDerWaalsContact O-CG 3.24Å; H16-E20 WeakPolarHBondContact O-CG 3.32Å; H16-E20 PolarHBondContact O-N 3.12Å
21K74.7Confident87.6Confident91 Ų9166.1 Ų66.140%0.39633%0.326SS..SBendtrans-76.2-50.6-173.6-69179.7176.4177.60111.9Y18 T19 E39Y18-K21 HydrophobicContact CD1-CD 4.35Å; Y18-K21 VanDerWaalsContact CD1-NZ 3.31Å; T19-K21 PolarHBondContact O-N 2.77Å; K21-E39 IonicContact NZ-OE2 3.91Å
22E70.9Confident87.5Confident121 Ų12164.2 Ų64.257%0.56532%0.316SS*.SBendtrans-152.9112-174.9-67.3-168.2158.800115.1K29 E32E22-K29 WeakPolarHBondContact O-CD 3.41Å; E22-K29 WeakPolarHBondContact O-CE 3.24Å; E22-K29 PolarHBondContact O-NZ 3.31Å; E22-E32 PolarHBondContact N-OE1 3.43Å
23G69.9Low87.4Confident59 Ų5960 Ų6061%0.60830%0.295SS*.SBendtrans109.6-131.5168.900000113.8K29G23-K29 VanDerWaalsContact CA-NZ 3.34Å
24D76.3Confident87.2Confident76 Ų7658.4 Ų58.441%0.40629%0.287SS..  trans-73.8124.3174.6-166.3-32.1000109.5H26 K27D24-H26 PolarHBondContact O-N 2.9Å; D24-H26 WeakPolarHBondContact OD1-CB 3.48Å; D24-H26 IonicContact OD1-CD2 3.46Å; D24-H26 PolarHBondContact OD1-CD2 3.34Å; D24-H26 IonicContact OD1-CG 3.79Å; D24-H26 PolarHBondContact OD1-N 2.89Å; D24-K27 HydrophobicContact CB-CB 4.48Å; D24-K27 PolarHBondContact O-N 2.84Å
25K81.9Confident87.1Confident135 Ų13560.6 Ų60.659%0.58730%0.298SS*.THydrogen-bonded Turntrans-69.3-5.9-177.8-61.2-173.6177.2-168.20113.5T19T19-K25 WeakPolarHBondContact CB-O 3.39Å; T19-K25 PolarHBondContact OG1-O 2.78Å
26H87.8Confident87.1Confident130 Ų13060.6 Ų60.660%0.60230%0.298SS*.THydrogen-bonded Turntrans-110.4-3.4-177.7-59.1-62.9000113.6F15 D24F15-H26 WeakPolarHBondContact CZ-O 3.43Å; D24-H26 PolarHBondContact O-N 2.9Å; D24-H26 WeakPolarHBondContact OD1-CB 3.48Å; D24-H26 IonicContact OD1-CD2 3.46Å; D24-H26 PolarHBondContact OD1-CD2 3.34Å; D24-H26 IonicContact OD1-CG 3.79Å; D24-H26 PolarHBondContact OD1-N 2.89Å
27K92.7Very high87Confident28 Ų2857 Ų5712%0.12228%0.281CS..SBendtrans-132.8146.6-179.9-59.1-161.7164.2-147.60111.6T19 D24 D64 D66 E68 L69 D70T19-K27 VanDerWaalsContact CG2-C 3.46Å; T19-K27 WeakPolarHBondContact CG2-O 3.4Å; D24-K27 HydrophobicContact CB-CB 4.48Å; D24-K27 PolarHBondContact O-N 2.84Å; K27-D64 IonicContact NZ-OD1 3.28Å; K27-D64 IonicContact NZ-OD2 2.58Å; K27-D64 PolarHBondContact NZ-OD2 3.36Å; K27-D66 WeakPolarHBondContact CE-OD2 3.33Å; K27-D66 IonicContact NZ-OD1 2.62Å; K27-D66 PolarHBondContact NZ-OD1 3.27Å; K27-D66 IonicContact NZ-OD2 2.91Å; K27-D66 PolarHBondContact NZ-OD2 2.78Å; K27-E68 HydrophobicContact CB-CB 3.68Å; K27-E68 HydrophobicContact CD-CB 3.79Å; K27-E68 HydrophobicContact CG-CB 4.4Å; K27-L69 CarbonylContact C-O 3.51Å; K27-L69 WeakPolarHBondContact CA-O 3.44Å; K27-D70 HydrophobicContact CD-CB 4.48Å; K27-D70 HydrophobicContact CG-CB 4.26Å
28L93Very high86.8Confident0 Ų054.8 Ų54.80%028%0.278CS..EExtended strand (participates in β ladder)trans-93127.4175.3-73.3170.1000110F15 T19 E32 L36 E68 L69 F74F15-L28 HydrophobicContact CD2-CD1 3.61Å; F15-L28 HydrophobicContact CD2-CG 3.96Å; F15-L28 HydrophobicContact CE2-CD1 3.6Å; F15-L28 HydrophobicContact CE2-CG 3.63Å; F15-L28 HydrophobicContact CZ-CG 4.43Å; T19-L28 HydrophobicContact CG2-CB 4.41Å; T19-L28 HydrophobicContact CG2-CD2 3.5Å; T19-L28 VanDerWaalsContact CG2-CD2 3.5Å; T19-L28 HydrophobicContact CG2-CG 3.58Å; L28-E32 WeakPolarHBondContact CA-OE2 3.2Å; L28-E32 HydrophobicContact CD2-CB 3.84Å; L28-L36 HydrophobicContact CD1-CD1 4.27Å; L28-E68 CarbonylContact O-C 3.46Å; L28-E68 WeakPolarHBondContact O-CA 3.25Å; L28-L69 HydrophobicContact CB-CB 4.26Å; L28-L69 PolarHBondContact N-O 2.8Å; L28-L69 PolarHBondContact O-N 2.97Å; L28-F74 HydrophobicContact CD1-CB 4.45Å; L28-F74 HydrophobicContact CD1-CD2 3.59Å; L28-F74 HydrophobicContact CD1-CE2 4.09Å; L28-F74 HydrophobicContact CD1-CG 4.18Å
29K92.1Very high86.8Confident58 Ų5860.2 Ų60.225%0.25230%0.303SS..EExtended strand (participates in β ladder)trans-77.7163.1166.1-71.5176.2-178.5160.40111.3E22 G23 S31 E32 L33 E68E22-K29 WeakPolarHBondContact O-CD 3.41Å; E22-K29 WeakPolarHBondContact O-CE 3.24Å; E22-K29 PolarHBondContact O-NZ 3.31Å; G23-K29 VanDerWaalsContact CA-NZ 3.34Å; K29-S31 PolarHBondContact O-N 2.82Å; K29-E32 HydrophobicContact CB-CG 4.37Å; K29-E32 PolarHBondContact N-OE2 3.01Å; K29-E32 PolarHBondContact O-N 3.38Å; K29-L33 PolarHBondContact O-N 3.47Å; K29-E68 WeakPolarHBondContact CE-OE1 3.37Å; K29-E68 HydrophobicContact CG-CG 4.15Å
30K90.4Very high86.8Confident38 Ų3863.8 Ų63.817%0.16532%0.32CS..Hα-helixtrans-51.5-40.4172.6-168.9-175.4-176.3-167.60113.5K34 Q51 M54 D55 M58K30-K34 WeakPolarHBondContact O-CB 3.38Å; K30-K34 PolarHBondContact O-N 3.34Å; K30-Q51 PolarHBondContact NZ-O 3.18Å; K30-Q51 VanDerWaalsContact NZ-O 3.17Å; K30-M54 HydrophobicContact CD-CG 4.36Å; K30-M54 HydrophobicContact CG-CG 4Å; K30-D55 WeakPolarHBondContact CE-OD1 3.35Å; K30-D55 IonicContact NZ-OD1 3.16Å; K30-D55 PolarHBondContact NZ-OD1 3.16Å; K30-D55 IonicContact NZ-OD2 3.95Å; K30-D55 PolarHBondContact NZ-OD2 3.41Å; K30-D55 VanDerWaalsContact NZ-OD2 3.1Å; K30-M58 HydrophobicContact CB-SD 4.17Å
31S90Very high87Confident55 Ų5559.3 Ų59.339%0.38530%0.3SS..Hα-helixtrans-65.3-42.8176.942.90000112.1K29 K34 D35K29-S31 PolarHBondContact O-N 2.82Å; S31-K34 WeakPolarHBondContact O-CB 3.2Å; S31-K34 PolarHBondContact O-N 2.58Å; S31-D35 PolarHBondContact O-N 2.93Å
32E92.4Very high87.4Confident4 Ų459.4 Ų59.42%0.01931%0.31CS..Hα-helixtrans-70.2-40.6-179.5-63.2171.2144.400111.6Y18 E22 L28 K29 K34 D35 L36Y18-E32 WeakPolarHBondContact O-CG 3.21Å; E22-E32 PolarHBondContact N-OE1 3.43Å; L28-E32 WeakPolarHBondContact CA-OE2 3.2Å; L28-E32 HydrophobicContact CD2-CB 3.84Å; K29-E32 HydrophobicContact CB-CG 4.37Å; K29-E32 PolarHBondContact N-OE2 3.01Å; K29-E32 PolarHBondContact O-N 3.38Å; E32-K34 VanDerWaalsContact C-N 3.3Å; E32-K34 PolarHBondContact O-N 3.19Å; E32-D35 PolarHBondContact O-N 3.46Å; E32-L36 WeakPolarHBondContact O-CB 3.46Å; E32-L36 PolarHBondContact O-N 3Å
33L91.6Very high87.8Confident0 Ų058 Ų580%032%0.319CS..Hα-helixtrans-59.4-42.5171.617864.8000111.2K29 D35 L36 I37 M54 L57 M58 L61 L69 F77K29-L33 PolarHBondContact O-N 3.47Å; L33-D35 PolarHBondContact O-N 2.94Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-I37 HydrophobicContact CD1-CD1 4.04Å; L33-I37 HydrophobicContact CD1-CG1 4.34Å; L33-I37 HydrophobicContact CG-CD1 3.9Å; L33-I37 VanDerWaalsContact O-CG1 3.32Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.97Å; L33-M54 HydrophobicContact CD2-SD 4.29Å; L33-L57 HydrophobicContact CD2-CD2 4.4Å; L33-M58 HydrophobicContact CD2-SD 4.09Å; L33-L61 HydrophobicContact CD2-CD1 4.4Å; L33-L69 HydrophobicContact CD1-CD1 4.45Å; L33-L69 HydrophobicContact CD2-CD1 3.79Å; L33-F77 HydrophobicContact CD1-CD1 4.42Å; L33-F77 HydrophobicContact CD1-CE1 4.4Å
34K89.9Confident88.2Confident80 Ų8056.3 Ų56.335%0.34830%0.296SS..Hα-helixtrans-61.9-44.1177.2178.6174.7-178.2177.50111.5K30 S31 E32 I37 N38 M54K30-K34 WeakPolarHBondContact O-CB 3.38Å; K30-K34 PolarHBondContact O-N 3.34Å; S31-K34 WeakPolarHBondContact O-CB 3.2Å; S31-K34 PolarHBondContact O-N 2.58Å; E32-K34 VanDerWaalsContact C-N 3.3Å; E32-K34 PolarHBondContact O-N 3.19Å; K34-I37 PolarHBondContact O-N 3.45Å; K34-N38 WeakPolarHBondContact O-CB 3.42Å; K34-N38 PolarHBondContact O-N 3.19Å; K34-N38 PolarHBondContact O-ND2 3.43Å; K34-M54 HydrophobicContact CB-CE 3.97Å; K34-M54 HydrophobicContact CG-CE 4.05Å
35D91.3Very high88.3Confident65 Ų6554.1 Ų54.135%0.34829%0.286SS..Hα-helixtrans-64.3-42.7177.1-70.9-10.6000111.3Y18 S31 E32 L33 I37 N38 E39Y18-D35 HydrophobicContact CD1-CB 4.21Å; Y18-D35 HydrophobicContact CE1-CB 4.07Å; S31-D35 PolarHBondContact O-N 2.93Å; E32-D35 PolarHBondContact O-N 3.46Å; L33-D35 PolarHBondContact O-N 2.94Å; D35-I37 PolarHBondContact O-N 3.1Å; D35-N38 PolarHBondContact O-N 3.41Å; D35-E39 WeakPolarHBondContact O-CB 3.39Å; D35-E39 WeakPolarHBondContact O-CG 3.49Å; D35-E39 PolarHBondContact O-N 3.33Å
36L93.2Very high87.9Confident3 Ų350.1 Ų50.12%0.01628%0.282CS..Hα-helixtrans-57.4-48.3175.2-175.5158.5000111.4V14 Y18 L28 E32 L33 N38 E39 E40 L41 F74 F77V14-L36 HydrophobicContact CG1-CD1 3.93Å; V14-L36 HydrophobicContact CG1-CG 4.23Å; Y18-L36 HydrophobicContact CD1-CB 3.85Å; Y18-L36 HydrophobicContact CD2-CB 4.01Å; Y18-L36 HydrophobicContact CD2-CD1 3.8Å; Y18-L36 HydrophobicContact CD2-CG 3.95Å; Y18-L36 HydrophobicContact CE1-CB 4.04Å; Y18-L36 HydrophobicContact CE2-CB 4.21Å; Y18-L36 HydrophobicContact CE2-CD1 4.41Å; Y18-L36 HydrophobicContact CE2-CG 4.11Å; Y18-L36 HydrophobicContact CG-CB 3.88Å; Y18-L36 HydrophobicContact CG-CD1 4.11Å; Y18-L36 HydrophobicContact CG-CG 4.29Å; L28-L36 HydrophobicContact CD1-CD1 4.27Å; E32-L36 WeakPolarHBondContact O-CB 3.46Å; E32-L36 PolarHBondContact O-N 3Å; L33-L36 PolarHBondContact O-N 3.3Å; L36-N38 VanDerWaalsContact C-N 3.29Å; L36-N38 PolarHBondContact O-N 2.93Å; L36-E39 PolarHBondContact O-N 3.5Å; L36-E40 HydrophobicContact CG-CG 4.47Å; L36-E40 WeakPolarHBondContact O-CB 3.38Å; L36-E40 PolarHBondContact O-N 3.05Å; L36-L41 HydrophobicContact CD2-CD1 4.2Å; L36-F74 HydrophobicContact CD1-CE2 3.58Å; L36-F74 HydrophobicContact CD1-CZ 4Å; L36-F74 HydrophobicContact CD2-CE2 4.3Å; L36-F77 HydrophobicContact CD2-CE1 4.25Å
37I90.3Very high87.1Confident1 Ų149.8 Ų49.81%0.00528%0.281CS..Hα-helixtrans-62.7-38.3178.7-69.5166.7000111.3L33 K34 D35 L41 L44 T45 V48 M54 L57 F77L33-I37 HydrophobicContact CD1-CD1 4.04Å; L33-I37 HydrophobicContact CD1-CG1 4.34Å; L33-I37 HydrophobicContact CG-CD1 3.9Å; L33-I37 VanDerWaalsContact O-CG1 3.32Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.97Å; K34-I37 PolarHBondContact O-N 3.45Å; D35-I37 PolarHBondContact O-N 3.1Å; I37-L41 CarbonylContact O-C 3.1Å; I37-L41 WeakPolarHBondContact O-CA 3.32Å; I37-L41 PolarHBondContact O-N 3.3Å; I37-L44 HydrophobicContact CG2-CB 4.42Å; I37-T45 PolarHBondContact O-OG1 2.58Å; I37-T45 VanDerWaalsContact O-OG1 3.06Å; I37-V48 HydrophobicContact CD1-CG2 4.43Å; I37-V48 HydrophobicContact CG2-CB 4.47Å; I37-V48 HydrophobicContact CG2-CG2 4.11Å; I37-M54 HydrophobicContact CD1-CE 3.89Å; I37-M54 HydrophobicContact CD1-SD 4.12Å; I37-L57 HydrophobicContact CD1-CD2 3.8Å; I37-F77 HydrophobicContact CD1-CE2 4.26Å; I37-F77 HydrophobicContact CD1-CZ 3.98Å; I37-F77 HydrophobicContact CG1-CE1 4.35Å; I37-F77 HydrophobicContact CG1-CZ 3.76Å
38N88.6Confident86.3Confident66 Ų6649.3 Ų49.335%0.35328%0.28SS..Hα-helixtrans-71.5-36.7-179.6-69.1-31.2000113K34 D35 L36 T45K34-N38 WeakPolarHBondContact O-CB 3.42Å; K34-N38 PolarHBondContact O-N 3.19Å; K34-N38 PolarHBondContact O-ND2 3.43Å; D35-N38 PolarHBondContact O-N 3.41Å; L36-N38 VanDerWaalsContact C-N 3.29Å; L36-N38 PolarHBondContact O-N 2.93Å; N38-T45 WeakPolarHBondContact CA-OG1 3.29Å; N38-T45 WeakPolarHBondContact OD1-CG2 3.28Å
39E90.6Very high85.4Confident117 Ų11757.2 Ų57.255%0.54732%0.315SS..Hα-helixtrans-92.3-45.4-172.6-69.9177.2-173.500112.5Y18 K21 D35 L36Y18-E39 WeakPolarHBondContact CE1-OE2 3.32Å; Y18-E39 VanDerWaalsContact OH-CB 3.29Å; Y18-E39 WeakPolarHBondContact OH-CB 3.48Å; Y18-E39 PolarHBondContact OH-OE2 3.31Å; K21-E39 IonicContact NZ-OE2 3.91Å; D35-E39 WeakPolarHBondContact O-CB 3.39Å; D35-E39 WeakPolarHBondContact O-CG 3.49Å; D35-E39 PolarHBondContact O-N 3.33Å; L36-E39 PolarHBondContact O-N 3.5Å
40E90.9Very high85Confident75 Ų7558.1 Ų58.135%0.3532%0.323SS..Hα-helixtrans-94.5-25-173.8-56.9-71.2177.400112.2V14 R17 Y18 L36 P42V14-E40 HydrophobicContact CG1-CG 4.05Å; R17-E40 IonicContact NH1-OE1 2.96Å; R17-E40 PolarHBondContact NH1-OE1 3.01Å; R17-E40 VanDerWaalsContact NH1-OE1 3.16Å; Y18-E40 HydrophobicContact CE2-CG 3.79Å; Y18-E40 PolarHBondContact OH-OE1 3.34Å; L36-E40 HydrophobicContact CG-CG 4.47Å; L36-E40 WeakPolarHBondContact O-CB 3.38Å; L36-E40 PolarHBondContact O-N 3.05Å; E40-P42 VanDerWaalsContact C-CD 3.41Å; E40-P42 WeakPolarHBondContact O-CD 3.4Å
41L87.9Confident84.8Confident44 Ų4461.7 Ų61.723%0.2334%0.34CS..  trans-127.457-174.1-59.5169.6000113.1L36 I37 A43 L44 T45 F77 V81L36-L41 HydrophobicContact CD2-CD1 4.2Å; I37-L41 CarbonylContact O-C 3.1Å; I37-L41 WeakPolarHBondContact O-CA 3.32Å; I37-L41 PolarHBondContact O-N 3.3Å; L41-A43 PolarHBondContact O-N 3.1Å; L41-L44 HydrophobicContact CB-CB 4.28Å; L41-L44 HydrophobicContact CB-CD1 4.11Å; L41-L44 HydrophobicContact CB-CG 4.43Å; L41-L44 HydrophobicContact CD1-CD1 4.01Å; L41-L44 HydrophobicContact CG-CD1 4.48Å; L41-L44 PolarHBondContact O-N 3.17Å; L41-T45 PolarHBondContact O-N 3.32Å; L41-T45 PolarHBondContact O-OG1 3.09Å; L41-F77 HydrophobicContact CD1-CE1 3.68Å; L41-F77 HydrophobicContact CD1-CZ 3.73Å; L41-V81 HydrophobicContact CD1-CG2 4.47Å; L41-V81 HydrophobicContact CD2-CG1 4.4Å
42P83.3Confident84.7Confident92 Ų9261.9 Ų61.960%0.59735%0.345SS*.Hα-helixtrans-58.3-27.5-173.623.2-34.5000114.4E40 L44 T45E40-P42 VanDerWaalsContact C-CD 3.41Å; E40-P42 WeakPolarHBondContact O-CD 3.4Å; P42-L44 VanDerWaalsContact C-N 3.31Å; P42-T45 WeakPolarHBondContact CA-OG1 3.49Å; P42-T45 WeakPolarHBondContact O-CB 3.47Å; P42-T45 PolarHBondContact O-N 2.82Å; P42-T45 PolarHBondContact O-OG1 3.32Å
43A80.8Confident84.5Confident93 Ų9364.3 Ų64.377%0.76936%0.36SS*.Hα-helixtrans-66-33.6175.400000112.5L41L41-A43 PolarHBondContact O-N 3.1Å
44L76.7Confident84.4Confident22 Ų2264.4 Ų64.412%0.11536%0.361CS..Hα-helixtrans-85.3-22.5178.5-65179.1000112.7I37 L41 P42 G46 Q47 V48 V81I37-L44 HydrophobicContact CG2-CB 4.42Å; L41-L44 HydrophobicContact CB-CB 4.28Å; L41-L44 HydrophobicContact CB-CD1 4.11Å; L41-L44 HydrophobicContact CB-CG 4.43Å; L41-L44 HydrophobicContact CD1-CD1 4.01Å; L41-L44 HydrophobicContact CG-CD1 4.48Å; L41-L44 PolarHBondContact O-N 3.17Å; P42-L44 VanDerWaalsContact C-N 3.31Å; L44-G46 PolarHBondContact O-N 3.15Å; L44-Q47 VanDerWaalsContact CD2-OE1 3.3Å; L44-Q47 WeakPolarHBondContact O-CA 3.29Å; L44-Q47 WeakPolarHBondContact O-CB 3.36Å; L44-Q47 PolarHBondContact O-N 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.36Å; L44-V48 PolarHBondContact O-N 3.47Å; L44-V81 HydrophobicContact CD1-CB 4.1Å; L44-V81 HydrophobicContact CD1-CG1 3.64Å; L44-V81 HydrophobicContact CD1-CG2 3.36Å
45T78.5Confident84.5Confident31 Ų3163.7 Ų63.719%0.1936%0.361CS..Hα-helixtrans-51.9-33.3176.9-51.50000112.8I37 N38 L41 P42 Q47I37-T45 PolarHBondContact O-OG1 2.58Å; I37-T45 VanDerWaalsContact O-OG1 3.06Å; N38-T45 WeakPolarHBondContact CA-OG1 3.29Å; N38-T45 WeakPolarHBondContact OD1-CG2 3.28Å; L41-T45 PolarHBondContact O-N 3.32Å; L41-T45 PolarHBondContact O-OG1 3.09Å; P42-T45 WeakPolarHBondContact CA-OG1 3.49Å; P42-T45 WeakPolarHBondContact O-CB 3.47Å; P42-T45 PolarHBondContact O-N 2.82Å; P42-T45 PolarHBondContact O-OG1 3.32Å; T45-Q47 VanDerWaalsContact C-N 3.27Å; T45-Q47 PolarHBondContact O-N 2.92Å
46G73.3Confident84.4Confident50 Ų5064.1 Ų64.152%0.51537%0.369SS..THydrogen-bonded Turntrans-63.6-30.3175.400000114L44L44-G46 PolarHBondContact O-N 3.15Å
47Q71.4Confident84.3Confident124 Ų12465.4 Ų65.458%0.57938%0.375SS*.THydrogen-bonded Turntrans-87.3-30.8-178.8-62.4-174.9-51.400112.5L44 T45L44-Q47 VanDerWaalsContact CD2-OE1 3.3Å; L44-Q47 WeakPolarHBondContact O-CA 3.29Å; L44-Q47 WeakPolarHBondContact O-CB 3.36Å; L44-Q47 PolarHBondContact O-N 3.26Å; T45-Q47 VanDerWaalsContact C-N 3.27Å; T45-Q47 PolarHBondContact O-N 2.92Å
48V75.8Confident84.4Confident17 Ų1765.9 Ų65.910%0.10338%0.378CS..SBendtrans-104.237.8-176.7-1430000112.6I37 L44 T53 M54 L57I37-V48 HydrophobicContact CD1-CG2 4.43Å; I37-V48 HydrophobicContact CG2-CB 4.47Å; I37-V48 HydrophobicContact CG2-CG2 4.11Å; L44-V48 WeakPolarHBondContact O-CG2 3.36Å; L44-V48 PolarHBondContact O-N 3.47Å; V48-T53 HydrophobicContact CG1-CG2 4.08Å; V48-M54 HydrophobicContact CB-CE 3.81Å; V48-M54 HydrophobicContact CG1-CB 4.29Å; V48-M54 HydrophobicContact CG1-CE 3.29Å; V48-M54 HydrophobicContact CG1-SD 3.77Å; V48-L57 HydrophobicContact CG1-CD2 3.94Å
49K74.1Confident84.6Confident166 Ų16670 Ų7072%0.72240%0.395SS*.  trans-77.9-31.3-166.6-123.6175.9-172.9179.50114.4
50D84.7Confident84.6Confident78 Ų7867.6 Ų67.642%0.41739%0.391SS..SBendtrans-101.6154.5-176.562.9-82.9000112.4A52 T53 M54D50-A52 PolarHBondContact O-N 3.21Å; D50-A52 WeakPolarHBondContact OD2-CB 3.48Å; D50-A52 PolarHBondContact OD2-N 2.7Å; D50-T53 PolarHBondContact O-N 3.19Å; D50-T53 PolarHBondContact OD1-OG1 3.17Å; D50-T53 WeakPolarHBondContact OD2-CB 3.26Å; D50-T53 PolarHBondContact OD2-N 3.08Å; D50-T53 PolarHBondContact OD2-OG1 3.17Å; D50-M54 PolarHBondContact O-N 3.16Å; D50-M54 VanDerWaalsContact O-N 3.15Å
51Q85.6Confident84.8Confident112 Ų11264 Ų6452%0.52337%0.374SS..Hα-helixtrans-60.1-36.6-176.4-170.669.914.700111.8K30 M54 D55K30-Q51 PolarHBondContact NZ-O 3.18Å; K30-Q51 VanDerWaalsContact NZ-O 3.17Å; Q51-M54 PolarHBondContact O-N 2.83Å; Q51-D55 PolarHBondContact O-N 3.06Å
52A88.6Confident85.1Confident60 Ų6063.1 Ų63.150%0.49637%0.369SS..Hα-helixtrans-69.3-43.5-177.500000111.6D50 M54 D55 S56D50-A52 PolarHBondContact O-N 3.21Å; D50-A52 WeakPolarHBondContact OD2-CB 3.48Å; D50-A52 PolarHBondContact OD2-N 2.7Å; A52-M54 VanDerWaalsContact C-N 3.27Å; A52-M54 PolarHBondContact O-N 3Å; A52-D55 WeakPolarHBondContact O-CB 3.3Å; A52-D55 PolarHBondContact O-N 3.35Å; A52-S56 PolarHBondContact O-N 3.18Å; A52-S56 PolarHBondContact O-OG 2.86Å
53T87.9Confident85.5Confident55 Ų5564.5 Ų64.534%0.33738%0.377SS..Hα-helixtrans-63.3-37174.2-56.60000111.1V48 D50 L57V48-T53 HydrophobicContact CG1-CG2 4.08Å; D50-T53 PolarHBondContact O-N 3.19Å; D50-T53 PolarHBondContact OD1-OG1 3.17Å; D50-T53 WeakPolarHBondContact OD2-CB 3.26Å; D50-T53 PolarHBondContact OD2-N 3.08Å; D50-T53 PolarHBondContact OD2-OG1 3.17Å; T53-L57 VanDerWaalsContact O-CB 3.31Å; T53-L57 WeakPolarHBondContact O-CB 3.4Å; T53-L57 PolarHBondContact O-N 3.31Å
54M89.7Confident86Confident2 Ų264.4 Ų64.41%0.0136%0.363CS..Hα-helixtrans-69.6-36173.8-166.362.470.800112.7K30 L33 K34 I37 V48 D50 Q51 A52 L57 M58K30-M54 HydrophobicContact CD-CG 4.36Å; K30-M54 HydrophobicContact CG-CG 4Å; L33-M54 HydrophobicContact CD2-SD 4.29Å; K34-M54 HydrophobicContact CB-CE 3.97Å; K34-M54 HydrophobicContact CG-CE 4.05Å; I37-M54 HydrophobicContact CD1-CE 3.89Å; I37-M54 HydrophobicContact CD1-SD 4.12Å; V48-M54 HydrophobicContact CB-CE 3.81Å; V48-M54 HydrophobicContact CG1-CB 4.29Å; V48-M54 HydrophobicContact CG1-CE 3.29Å; V48-M54 HydrophobicContact CG1-SD 3.77Å; D50-M54 PolarHBondContact O-N 3.16Å; D50-M54 VanDerWaalsContact O-N 3.15Å; Q51-M54 PolarHBondContact O-N 2.83Å; A52-M54 VanDerWaalsContact C-N 3.27Å; A52-M54 PolarHBondContact O-N 3Å; M54-L57 HydrophobicContact SD-CD2 4.17Å; M54-M58 WeakPolarHBondContact O-CB 3.44Å; M54-M58 PolarHBondContact O-N 3.38Å
55D90.9Very high86.7Confident65 Ų6566 Ų6635%0.34838%0.384SS..Hα-helixtrans-62.1-51.3172.7-77.5-49.5000110.1K30 Q51 A52 L57 M58 E59K30-D55 WeakPolarHBondContact CE-OD1 3.35Å; K30-D55 IonicContact NZ-OD1 3.16Å; K30-D55 PolarHBondContact NZ-OD1 3.16Å; K30-D55 IonicContact NZ-OD2 3.95Å; K30-D55 PolarHBondContact NZ-OD2 3.41Å; K30-D55 VanDerWaalsContact NZ-OD2 3.1Å; Q51-D55 PolarHBondContact O-N 3.06Å; A52-D55 WeakPolarHBondContact O-CB 3.3Å; A52-D55 PolarHBondContact O-N 3.35Å; D55-L57 VanDerWaalsContact C-N 3.31Å; D55-L57 PolarHBondContact O-N 2.86Å; D55-M58 WeakPolarHBondContact O-CB 3.48Å; D55-M58 PolarHBondContact O-N 3.06Å; D55-M58 VanDerWaalsContact O-N 3.16Å; D55-E59 WeakPolarHBondContact O-CG 3.23Å; D55-E59 PolarHBondContact O-N 2.88Å
56S90.8Very high87.3Confident74 Ų7467.8 Ų67.852%0.51739%0.393SS..Hα-helixtrans-61.4-38.1178.6-59.90000112.7A52 S60A52-S56 PolarHBondContact O-N 3.18Å; A52-S56 PolarHBondContact O-OG 2.86Å; S56-S60 VanDerWaalsContact O-CB 3.32Å; S56-S60 WeakPolarHBondContact O-CB 3.48Å; S56-S60 PolarHBondContact O-N 3.12Å; S56-S60 PolarHBondContact O-OG 2.87Å
57L90.8Very high88.1Confident29 Ų2969.4 Ų69.415%0.15240%0.396CS..Hα-helixtrans-63.4-48.2174.9179.262.9000110.4L33 I37 V48 T53 M54 D55 S60 L61 F77L33-L57 HydrophobicContact CD2-CD2 4.4Å; I37-L57 HydrophobicContact CD1-CD2 3.8Å; V48-L57 HydrophobicContact CG1-CD2 3.94Å; T53-L57 VanDerWaalsContact O-CB 3.31Å; T53-L57 WeakPolarHBondContact O-CB 3.4Å; T53-L57 PolarHBondContact O-N 3.31Å; M54-L57 HydrophobicContact SD-CD2 4.17Å; D55-L57 VanDerWaalsContact C-N 3.31Å; D55-L57 PolarHBondContact O-N 2.86Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-S60 PolarHBondContact O-OG 3.05Å; L57-L61 HydrophobicContact CD1-CD1 3.81Å; L57-L61 HydrophobicContact CD1-CG 4.25Å; L57-L61 HydrophobicContact CG-CD1 3.88Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 3.44Å; L57-L61 VanDerWaalsContact O-N 3.17Å; L57-F77 HydrophobicContact CD1-CD2 4.34Å; L57-F77 HydrophobicContact CD2-CE2 4.18Å
58M91.5Very high89.1Confident12 Ų1265.4 Ų65.46%0.05938%0.377CS..Hα-helixtrans-58.7-50.7177.5-166.877.5-177.800111K30 L33 M54 D55 S60 L61 D62 S67 L69K30-M58 HydrophobicContact CB-SD 4.17Å; L33-M58 HydrophobicContact CD2-SD 4.09Å; M54-M58 WeakPolarHBondContact O-CB 3.44Å; M54-M58 PolarHBondContact O-N 3.38Å; D55-M58 WeakPolarHBondContact O-CB 3.48Å; D55-M58 PolarHBondContact O-N 3.06Å; D55-M58 VanDerWaalsContact O-N 3.16Å; M58-S60 PolarHBondContact O-N 3.24Å; M58-L61 PolarHBondContact O-N 2.79Å; M58-D62 VanDerWaalsContact O-CB 3.23Å; M58-D62 WeakPolarHBondContact O-CB 3.48Å; M58-D62 PolarHBondContact O-N 3.41Å; M58-S67 WeakPolarHBondContact CE-O 3.1Å; M58-L69 HydrophobicContact CE-CD1 4.47Å; M58-L69 HydrophobicContact CE-CD2 3.94Å; M58-L69 HydrophobicContact CE-CG 3.65Å; M58-L69 HydrophobicContact SD-CD1 4Å; M58-L69 HydrophobicContact SD-CD2 4.1Å; M58-L69 HydrophobicContact SD-CG 3.81Å
59E92.4Very high90Very high152 Ų15264.6 Ų64.671%0.7137%0.373SS*.Hα-helixtrans-59.7-29.5177.4-73.4179.4-179.600113D55D55-E59 WeakPolarHBondContact O-CG 3.23Å; D55-E59 PolarHBondContact O-N 2.88Å
60S92.1Very high90.9Very high66 Ų6658.9 Ų58.946%0.46235%0.35SS..Hα-helixtrans-77.9-23.1177.773.90000113.9S56 L57 M58S56-S60 VanDerWaalsContact O-CB 3.32Å; S56-S60 WeakPolarHBondContact O-CB 3.48Å; S56-S60 PolarHBondContact O-N 3.12Å; S56-S60 PolarHBondContact O-OG 2.87Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-S60 PolarHBondContact O-OG 3.05Å; M58-S60 PolarHBondContact O-N 3.24Å
61L93.7Very high91.4Very high1 Ų159 Ų591%0.00535%0.347CS..Hα-helixtrans-98.1-39.8-177.5-65.2170.3000111.6L33 L57 M58 T63 L69 E73 T76 F77 M80L33-L61 HydrophobicContact CD2-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CD1 3.81Å; L57-L61 HydrophobicContact CD1-CG 4.25Å; L57-L61 HydrophobicContact CG-CD1 3.88Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 3.44Å; L57-L61 VanDerWaalsContact O-N 3.17Å; M58-L61 PolarHBondContact O-N 2.79Å; L61-T63 PolarHBondContact O-N 3.02Å; L61-T63 PolarHBondContact O-OG1 3.28Å; L61-T63 VanDerWaalsContact O-OG1 3.12Å; L61-L69 HydrophobicContact CB-CD1 3.97Å; L61-L69 HydrophobicContact CB-CD2 3.6Å; L61-L69 HydrophobicContact CB-CG 4.46Å; L61-L69 HydrophobicContact CD1-CD1 3.78Å; L61-E73 WeakPolarHBondContact O-CG 3.42Å; L61-T76 HydrophobicContact CD2-CG2 4.2Å; L61-F77 HydrophobicContact CD1-CB 3.77Å; L61-F77 HydrophobicContact CD1-CD2 4.05Å; L61-F77 HydrophobicContact CD1-CG 4.19Å; L61-F77 HydrophobicContact CD2-CB 3.81Å; L61-F77 HydrophobicContact CG-CB 4.46Å; L61-M80 HydrophobicContact CD2-CE 4.26Å; L61-M80 HydrophobicContact CD2-SD 4.07Å
62D93.9Very high91.8Very high24 Ų2460.7 Ų60.713%0.12836%0.355CS..  trans-69.188.6177.7177.616.3000110M58 G65 D66 S67 L69M58-D62 VanDerWaalsContact O-CB 3.23Å; M58-D62 WeakPolarHBondContact O-CB 3.48Å; M58-D62 PolarHBondContact O-N 3.41Å; D62-G65 WeakPolarHBondContact OD1-CA 3.39Å; D62-G65 PolarHBondContact OD1-N 3.29Å; D62-G65 WeakPolarHBondContact OD2-CA 3.45Å; D62-D66 PolarHBondContact OD1-N 2.89Å; D62-D66 VanDerWaalsContact OD1-N 3.12Å; D62-D66 PolarHBondContact OD2-N 3.34Å; D62-S67 WeakPolarHBondContact OD2-CA 3.32Å; D62-S67 PolarHBondContact OD2-N 2.95Å; D62-L69 HydrophobicContact CB-CD2 3.89Å
63T91.8Very high92.1Very high122 Ų12258.2 Ų58.275%0.74833%0.333SS*.SBendtrans-86.9-29-174.2-54.50000111L61 E73L61-T63 PolarHBondContact O-N 3.02Å; L61-T63 PolarHBondContact O-OG1 3.28Å; L61-T63 VanDerWaalsContact O-OG1 3.12Å; T63-E73 PolarHBondContact N-OE1 3.28Å
64D92.3Very high92.4Very high91 Ų9155.6 Ų55.649%0.48732%0.317SS..SBendtrans-83.1-16.6176.878.913.1000113.3K27 D66 E73K27-D64 IonicContact NZ-OD1 3.28Å; K27-D64 IonicContact NZ-OD2 2.58Å; K27-D64 PolarHBondContact NZ-OD2 3.36Å; D64-D66 WeakPolarHBondContact OD1-CB 3.49Å; D64-D66 VanDerWaalsContact OD1-CG 3.26Å; D64-D66 PolarHBondContact OD1-N 3.19Å; D64-E73 PolarHBondContact N-OE1 3.15Å
65G90.6Very high92.6Very high54 Ų5458 Ų5856%0.55733%0.329SS*.SBendtrans79.923.1172.800000113.5D62D62-G65 WeakPolarHBondContact OD1-CA 3.39Å; D62-G65 PolarHBondContact OD1-N 3.29Å; D62-G65 WeakPolarHBondContact OD2-CA 3.45Å
66D91.3Very high92.8Very high69 Ų6957.9 Ų57.937%0.36933%0.331SS..SBendtrans-923.1-178.590.5-16.4000114.5K27 D62 D64 E68K27-D66 WeakPolarHBondContact CE-OD2 3.33Å; K27-D66 IonicContact NZ-OD1 2.62Å; K27-D66 PolarHBondContact NZ-OD1 3.27Å; K27-D66 IonicContact NZ-OD2 2.91Å; K27-D66 PolarHBondContact NZ-OD2 2.78Å; D62-D66 PolarHBondContact OD1-N 2.89Å; D62-D66 VanDerWaalsContact OD1-N 3.12Å; D62-D66 PolarHBondContact OD2-N 3.34Å; D64-D66 WeakPolarHBondContact OD1-CB 3.49Å; D64-D66 VanDerWaalsContact OD1-CG 3.26Å; D64-D66 PolarHBondContact OD1-N 3.19Å; D66-E68 PolarHBondContact O-N 3.14Å; D66-E68 WeakPolarHBondContact OD1-CA 3.44Å; D66-E68 PolarHBondContact OD1-N 2.88Å
67S90.3Very high92.8Very high85 Ų8554.8 Ų54.859%0.59431%0.308SS*.SBendtrans65.417.9179.7-510000114.5M58 D62M58-S67 WeakPolarHBondContact CE-O 3.1Å; D62-S67 WeakPolarHBondContact OD2-CA 3.32Å; D62-S67 PolarHBondContact OD2-N 2.95Å
68E92.8Very high92.9Very high39 Ų3954.8 Ų54.818%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-130.4159170-54.7-171.8142.300108.8K27 L28 K29 D66K27-E68 HydrophobicContact CB-CB 3.68Å; K27-E68 HydrophobicContact CD-CB 3.79Å; K27-E68 HydrophobicContact CG-CB 4.4Å; L28-E68 CarbonylContact O-C 3.46Å; L28-E68 WeakPolarHBondContact O-CA 3.25Å; K29-E68 WeakPolarHBondContact CE-OE1 3.37Å; K29-E68 HydrophobicContact CG-CG 4.15Å; D66-E68 PolarHBondContact O-N 3.14Å; D66-E68 WeakPolarHBondContact OD1-CA 3.44Å; D66-E68 PolarHBondContact OD1-N 2.88Å
69L94.1Very high92.9Very high0 Ų058 Ų580%033%0.328CS..EExtended strand (participates in β ladder)trans-110.2117178.6-57.3-178.2000110.5K27 L28 L33 M58 L61 D62 E73K27-L69 CarbonylContact C-O 3.51Å; K27-L69 WeakPolarHBondContact CA-O 3.44Å; L28-L69 HydrophobicContact CB-CB 4.26Å; L28-L69 PolarHBondContact N-O 2.8Å; L28-L69 PolarHBondContact O-N 2.97Å; L33-L69 HydrophobicContact CD1-CD1 4.45Å; L33-L69 HydrophobicContact CD2-CD1 3.79Å; M58-L69 HydrophobicContact CE-CD1 4.47Å; M58-L69 HydrophobicContact CE-CD2 3.94Å; M58-L69 HydrophobicContact CE-CG 3.65Å; M58-L69 HydrophobicContact SD-CD1 4Å; M58-L69 HydrophobicContact SD-CD2 4.1Å; M58-L69 HydrophobicContact SD-CG 3.81Å; L61-L69 HydrophobicContact CB-CD1 3.97Å; L61-L69 HydrophobicContact CB-CD2 3.6Å; L61-L69 HydrophobicContact CB-CG 4.46Å; L61-L69 HydrophobicContact CD1-CD1 3.78Å; D62-L69 HydrophobicContact CB-CD2 3.89Å; L69-E73 WeakPolarHBondContact CA-OE2 3.28Å; L69-E73 HydrophobicContact CB-CB 4.17Å; L69-E73 HydrophobicContact CD2-CB 4.1Å
70D94.4Very high92.8Very high47 Ų4755.2 Ų55.225%0.25132%0.316SS..  trans-71.6176.8169.680.419.1000112.1K27 Q72 E73 F74K27-D70 HydrophobicContact CD-CB 4.48Å; K27-D70 HydrophobicContact CG-CB 4.26Å; D70-Q72 VanDerWaalsContact C-N 3.26Å; D70-Q72 PolarHBondContact O-N 2.97Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.34Å; D70-Q72 VanDerWaalsContact OD1-CB 3.25Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.38Å; D70-Q72 PolarHBondContact OD1-N 3.42Å; D70-E73 PolarHBondContact N-OE2 3.23Å; D70-E73 PolarHBondContact O-N 2.72Å; D70-E73 PolarHBondContact OD1-N 3.47Å; D70-F74 WeakPolarHBondContact O-CB 3.47Å; D70-F74 PolarHBondContact O-N 2.88Å
71F93.5Very high92.5Very high79 Ų7952.9 Ų52.935%0.34630%0.299SS..Hα-helixtrans-62.4-32.6-178.9-173.8-107.4000113.2M12 F15 F74 M75M12-F71 HydrophobicContact CG-CE2 4.14Å; M12-F71 HydrophobicContact CG-CZ 3.8Å; F15-F71 HydrophobicContact CB-CD2 4.14Å; F15-F71 HydrophobicContact CB-CE2 4.16Å; F15-F71 AromaticContact CD1-CD2 3.63Å; F15-F71 HydrophobicContact CD1-CD2 3.63Å; F15-F71 HydrophobicContact CD1-CE2 4.4Å; F15-F71 HydrophobicContact CD2-CD2 4.11Å; F15-F71 HydrophobicContact CE1-CB 4.01Å; F15-F71 AromaticContact CE1-CD2 3.99Å; F15-F71 HydrophobicContact CE1-CD2 3.99Å; F15-F71 HydrophobicContact CE1-CG 4.5Å; F15-F71 HydrophobicContact CE2-CD2 4.42Å; F15-F71 AromaticContact CG-CD2 3.69Å; F15-F71 HydrophobicContact CG-CD2 3.69Å; F15-F71 HydrophobicContact CG-CE2 4.22Å; F15-F71 HydrophobicContact CZ-CB 4.05Å; F15-F71 HydrophobicContact CZ-CD2 4.36Å; F71-F74 HydrophobicContact CD2-CD1 4.26Å; F71-F74 HydrophobicContact CE2-CD1 4.26Å; F71-M75 HydrophobicContact CD1-CG 4.17Å; F71-M75 HydrophobicContact CE1-CG 3.75Å; F71-M75 HydrophobicContact CE1-SD 4.27Å; F71-M75 HydrophobicContact CE2-CG 4.39Å; F71-M75 HydrophobicContact CE2-SD 4.38Å; F71-M75 HydrophobicContact CZ-CG 3.88Å; F71-M75 HydrophobicContact CZ-SD 3.85Å; F71-M75 WeakPolarHBondContact O-CB 3.44Å; F71-M75 VanDerWaalsContact O-CG 3.28Å; F71-M75 WeakPolarHBondContact O-CG 3.47Å; F71-M75 PolarHBondContact O-N 2.92Å
72Q94.1Very high92.3Very high149 Ų14956.9 Ų56.970%0.69632%0.324SS*.Hα-helixtrans-71.1-42.5179.1-171-175.8-79.800111.1D70 F74 M75 T76D70-Q72 VanDerWaalsContact C-N 3.26Å; D70-Q72 PolarHBondContact O-N 2.97Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.34Å; D70-Q72 VanDerWaalsContact OD1-CB 3.25Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.38Å; D70-Q72 PolarHBondContact OD1-N 3.42Å; Q72-F74 VanDerWaalsContact C-N 3.34Å; Q72-M75 PolarHBondContact O-N 2.82Å; Q72-T76 PolarHBondContact O-N 3.37Å; Q72-T76 VanDerWaalsContact O-N 3.09Å; Q72-T76 PolarHBondContact O-OG1 2.93Å
73E95.3Very high92Very high7 Ų759.3 Ų59.33%0.03334%0.339CS..Hα-helixtrans-65.5-40.4175.6-65.4169.614200110.7L61 T63 D64 L69 D70 M75 T76 F77L61-E73 WeakPolarHBondContact O-CG 3.42Å; T63-E73 PolarHBondContact N-OE1 3.28Å; D64-E73 PolarHBondContact N-OE1 3.15Å; L69-E73 WeakPolarHBondContact CA-OE2 3.28Å; L69-E73 HydrophobicContact CB-CB 4.17Å; L69-E73 HydrophobicContact CD2-CB 4.1Å; D70-E73 PolarHBondContact N-OE2 3.23Å; D70-E73 PolarHBondContact O-N 2.72Å; D70-E73 PolarHBondContact OD1-N 3.47Å; E73-M75 PolarHBondContact O-N 2.8Å; E73-T76 VanDerWaalsContact O-CB 3.26Å; E73-T76 WeakPolarHBondContact O-CB 3.32Å; E73-T76 PolarHBondContact O-N 2.82Å; E73-T76 VanDerWaalsContact O-N 3.15Å; E73-F77 PolarHBondContact O-N 3.13Å
74F94.4Very high91.5Very high1 Ų156.2 Ų56.20%0.00432%0.322CS..Hα-helixtrans-61.4-41170.8175-106.7000113.2I11 F15 L28 L36 D70 F71 Q72 T76 F77 I78I11-F74 HydrophobicContact CG2-CE1 3.86Å; F15-F74 HydrophobicContact CB-CD1 4.06Å; F15-F74 HydrophobicContact CB-CE1 3.84Å; F15-F74 HydrophobicContact CB-CZ 4.42Å; F15-F74 HydrophobicContact CD2-CB 3.75Å; F15-F74 AromaticContact CD2-CD1 3.42Å; F15-F74 HydrophobicContact CD2-CD1 3.42Å; F15-F74 VanDerWaalsContact CD2-CD1 3.42Å; F15-F74 HydrophobicContact CD2-CD2 4.02Å; F15-F74 AromaticContact CD2-CE1 3.96Å; F15-F74 HydrophobicContact CD2-CE1 3.96Å; F15-F74 HydrophobicContact CD2-CE2 4.49Å; F15-F74 AromaticContact CD2-CG 3.44Å; F15-F74 HydrophobicContact CD2-CG 3.44Å; F15-F74 VanDerWaalsContact CD2-CG 3.44Å; F15-F74 HydrophobicContact CD2-CZ 4.45Å; F15-F74 HydrophobicContact CE2-CB 3.62Å; F15-F74 HydrophobicContact CE2-CD1 4.19Å; F15-F74 AromaticContact CE2-CG 3.87Å; F15-F74 HydrophobicContact CE2-CG 3.87Å; F15-F74 HydrophobicContact CG-CD1 4.06Å; F15-F74 HydrophobicContact CG-CE1 4.32Å; F15-F74 HydrophobicContact CG-CG 4.48Å; L28-F74 HydrophobicContact CD1-CB 4.45Å; L28-F74 HydrophobicContact CD1-CD2 3.59Å; L28-F74 HydrophobicContact CD1-CE2 4.09Å; L28-F74 HydrophobicContact CD1-CG 4.18Å; L36-F74 HydrophobicContact CD1-CE2 3.58Å; L36-F74 HydrophobicContact CD1-CZ 4Å; L36-F74 HydrophobicContact CD2-CE2 4.3Å; D70-F74 WeakPolarHBondContact O-CB 3.47Å; D70-F74 PolarHBondContact O-N 2.88Å; F71-F74 HydrophobicContact CD2-CD1 4.26Å; F71-F74 HydrophobicContact CE2-CD1 4.26Å; Q72-F74 VanDerWaalsContact C-N 3.34Å; F74-T76 PolarHBondContact O-N 2.93Å; F74-F77 HydrophobicContact CD2-CD1 4.27Å; F74-F77 HydrophobicContact CE2-CD1 4.14Å; F74-F77 WeakPolarHBondContact O-CA 3.49Å; F74-F77 VanDerWaalsContact O-CB 3.29Å; F74-F77 WeakPolarHBondContact O-CB 3.47Å; F74-F77 PolarHBondContact O-N 3.41Å; F74-F77 VanDerWaalsContact O-N 3.08Å; F74-I78 HydrophobicContact CD1-CG1 4.22Å; F74-I78 HydrophobicContact CE1-CD1 4.15Å; F74-I78 HydrophobicContact CE1-CG1 3.74Å; F74-I78 HydrophobicContact CE2-CD1 4.06Å; F74-I78 HydrophobicContact CE2-CG1 4.2Å; F74-I78 HydrophobicContact CZ-CD1 3.64Å; F74-I78 HydrophobicContact CZ-CG1 3.74Å; F74-I78 PolarHBondContact O-N 3.39Å
75M94.8Very high90.8Very high53 Ų5354.9 Ų54.926%0.26132%0.319SS..Hα-helixtrans-64.4-29.1175.4-77.1-57.6-55.700112.6I11 F71 Q72 E73 I78 T79I11-M75 HydrophobicContact CG2-SD 3.76Å; F71-M75 HydrophobicContact CD1-CG 4.17Å; F71-M75 HydrophobicContact CE1-CG 3.75Å; F71-M75 HydrophobicContact CE1-SD 4.27Å; F71-M75 HydrophobicContact CE2-CG 4.39Å; F71-M75 HydrophobicContact CE2-SD 4.38Å; F71-M75 HydrophobicContact CZ-CG 3.88Å; F71-M75 HydrophobicContact CZ-SD 3.85Å; F71-M75 WeakPolarHBondContact O-CB 3.44Å; F71-M75 VanDerWaalsContact O-CG 3.28Å; F71-M75 WeakPolarHBondContact O-CG 3.47Å; F71-M75 PolarHBondContact O-N 2.92Å; Q72-M75 PolarHBondContact O-N 2.82Å; E73-M75 PolarHBondContact O-N 2.8Å; M75-I78 PolarHBondContact O-N 3.16Å; M75-T79 WeakPolarHBondContact O-CB 3.44Å; M75-T79 PolarHBondContact O-N 3.4Å; M75-T79 PolarHBondContact O-OG1 3.05Å
76T93.5Very high90.2Very high62 Ų6257 Ų5738%0.3831%0.314SS..Hα-helixtrans-63.8-44.2171.4-58.90000110.4L61 Q72 E73 F74 T79 M80L61-T76 HydrophobicContact CD2-CG2 4.2Å; Q72-T76 PolarHBondContact O-N 3.37Å; Q72-T76 VanDerWaalsContact O-N 3.09Å; Q72-T76 PolarHBondContact O-OG1 2.93Å; E73-T76 VanDerWaalsContact O-CB 3.26Å; E73-T76 WeakPolarHBondContact O-CB 3.32Å; E73-T76 PolarHBondContact O-N 2.82Å; E73-T76 VanDerWaalsContact O-N 3.15Å; F74-T76 PolarHBondContact O-N 2.93Å; T76-T79 WeakPolarHBondContact O-CB 3.47Å; T76-T79 PolarHBondContact O-N 2.82Å; T76-M80 HydrophobicContact CG2-CE 3.86Å; T76-M80 WeakPolarHBondContact O-CG 3.4Å; T76-M80 PolarHBondContact O-N 3.24Å
77F92.4Very high89.3Confident8 Ų857.3 Ų57.34%0.03532%0.316CS..Hα-helixtrans-58.8-49.1172.4171.1-109.2000112.5L33 L36 I37 L41 L57 L61 E73 F74 T79 M80 V81L33-F77 HydrophobicContact CD1-CD1 4.42Å; L33-F77 HydrophobicContact CD1-CE1 4.4Å; L36-F77 HydrophobicContact CD2-CE1 4.25Å; I37-F77 HydrophobicContact CD1-CE2 4.26Å; I37-F77 HydrophobicContact CD1-CZ 3.98Å; I37-F77 HydrophobicContact CG1-CE1 4.35Å; I37-F77 HydrophobicContact CG1-CZ 3.76Å; L41-F77 HydrophobicContact CD1-CE1 3.68Å; L41-F77 HydrophobicContact CD1-CZ 3.73Å; L57-F77 HydrophobicContact CD1-CD2 4.34Å; L57-F77 HydrophobicContact CD2-CE2 4.18Å; L61-F77 HydrophobicContact CD1-CB 3.77Å; L61-F77 HydrophobicContact CD1-CD2 4.05Å; L61-F77 HydrophobicContact CD1-CG 4.19Å; L61-F77 HydrophobicContact CD2-CB 3.81Å; L61-F77 HydrophobicContact CG-CB 4.46Å; E73-F77 PolarHBondContact O-N 3.13Å; F74-F77 HydrophobicContact CD2-CD1 4.27Å; F74-F77 HydrophobicContact CE2-CD1 4.14Å; F74-F77 WeakPolarHBondContact O-CA 3.49Å; F74-F77 VanDerWaalsContact O-CB 3.29Å; F74-F77 WeakPolarHBondContact O-CB 3.47Å; F74-F77 PolarHBondContact O-N 3.41Å; F74-F77 VanDerWaalsContact O-N 3.08Å; F77-T79 PolarHBondContact O-N 2.94Å; F77-M80 WeakPolarHBondContact O-CB 3.31Å; F77-M80 PolarHBondContact O-N 2.91Å; F77-M80 VanDerWaalsContact O-N 3.13Å; F77-V81 HydrophobicContact CD2-CG2 4.11Å; F77-V81 HydrophobicContact CE1-CG2 4.13Å; F77-V81 HydrophobicContact CE2-CG2 3.61Å; F77-V81 HydrophobicContact CZ-CG2 3.62Å; F77-V81 WeakPolarHBondContact O-CG2 3.32Å; F77-V81 PolarHBondContact O-N 2.98Å
78I92.9Very high87.9Confident29 Ų2959.9 Ų59.915%0.14932%0.316CS..Hα-helixtrans-58.4-38.8177.1-64.2-59.2000111.5I11 F74 M75 V81 T82I11-I78 HydrophobicContact CD1-CG2 4.31Å; I11-I78 HydrophobicContact CG2-CG1 4.37Å; F74-I78 HydrophobicContact CD1-CG1 4.22Å; F74-I78 HydrophobicContact CE1-CD1 4.15Å; F74-I78 HydrophobicContact CE1-CG1 3.74Å; F74-I78 HydrophobicContact CE2-CD1 4.06Å; F74-I78 HydrophobicContact CE2-CG1 4.2Å; F74-I78 HydrophobicContact CZ-CD1 3.64Å; F74-I78 HydrophobicContact CZ-CG1 3.74Å; F74-I78 PolarHBondContact O-N 3.39Å; M75-I78 PolarHBondContact O-N 3.16Å; I78-V81 PolarHBondContact O-N 3.04Å; I78-T82 WeakPolarHBondContact O-CB 3.46Å; I78-T82 PolarHBondContact O-N 3.46Å; I78-T82 PolarHBondContact O-OG1 3.18Å
79T91.4Very high86.1Confident79 Ų7962.2 Ų62.249%0.48534%0.336SS..Hα-helixtrans-64.6-46.6176.3-580000111.2M75 T76 F77 V81 T82 V83M75-T79 WeakPolarHBondContact O-CB 3.44Å; M75-T79 PolarHBondContact O-N 3.4Å; M75-T79 PolarHBondContact O-OG1 3.05Å; T76-T79 WeakPolarHBondContact O-CB 3.47Å; T76-T79 PolarHBondContact O-N 2.82Å; F77-T79 PolarHBondContact O-N 2.94Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.93Å; T79-T82 PolarHBondContact O-N 3.26Å; T79-V83 HydrophobicContact CG2-CG2 4.43Å; T79-V83 WeakPolarHBondContact O-CG2 3.33Å; T79-V83 PolarHBondContact O-N 3.28Å
80M88.7Confident84Confident95 Ų9567.4 Ų67.447%0.46836%0.36SS..Hα-helixtrans-58.1-45.8176.3-71177.8-179.300111.8L61 T76 F77 V83 C84L61-M80 HydrophobicContact CD2-CE 4.26Å; L61-M80 HydrophobicContact CD2-SD 4.07Å; T76-M80 HydrophobicContact CG2-CE 3.86Å; T76-M80 WeakPolarHBondContact O-CG 3.4Å; T76-M80 PolarHBondContact O-N 3.24Å; F77-M80 WeakPolarHBondContact O-CB 3.31Å; F77-M80 PolarHBondContact O-N 2.91Å; F77-M80 VanDerWaalsContact O-N 3.13Å; M80-V83 PolarHBondContact O-N 3.43Å; M80-C84 VanDerWaalsContact O-CB 3.29Å; M80-C84 WeakPolarHBondContact O-CB 3.42Å; M80-C84 PolarHBondContact O-N 2.86Å
81V87.5Confident81.8Confident17 Ų1772 Ų7210%0.10338%0.38CS..Hα-helixtrans-62.6-45.7177.2169.50000111.2L41 L44 F77 I78 T79 V83 C84 C85L41-V81 HydrophobicContact CD1-CG2 4.47Å; L41-V81 HydrophobicContact CD2-CG1 4.4Å; L44-V81 HydrophobicContact CD1-CB 4.1Å; L44-V81 HydrophobicContact CD1-CG1 3.64Å; L44-V81 HydrophobicContact CD1-CG2 3.36Å; F77-V81 HydrophobicContact CD2-CG2 4.11Å; F77-V81 HydrophobicContact CE1-CG2 4.13Å; F77-V81 HydrophobicContact CE2-CG2 3.61Å; F77-V81 HydrophobicContact CZ-CG2 3.62Å; F77-V81 WeakPolarHBondContact O-CG2 3.32Å; F77-V81 PolarHBondContact O-N 2.98Å; I78-V81 PolarHBondContact O-N 3.04Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.93Å; V81-V83 PolarHBondContact O-N 3.32Å; V81-C84 PolarHBondContact O-N 3.49Å; V81-C85 WeakPolarHBondContact O-CB 3.47Å; V81-C85 PolarHBondContact O-N 3.47Å; V81-C85 PolarHBondContact O-SG 3.41Å; V81-C85 VanDerWaalsContact O-SG 3.32Å
82T89.2Confident79.5Confident85 Ų8573.8 Ų73.852%0.52139%0.389SS..Hα-helixtrans-62.5-44-179.2-57.60000111.4I78 T79 C85 H86I78-T82 WeakPolarHBondContact O-CB 3.46Å; I78-T82 PolarHBondContact O-N 3.46Å; I78-T82 PolarHBondContact O-OG1 3.18Å; T79-T82 PolarHBondContact O-N 3.26Å; T82-C85 PolarHBondContact O-N 2.84Å; T82-H86 VanDerWaalsContact O-CB 3.31Å; T82-H86 WeakPolarHBondContact O-CB 3.27Å; T82-H86 PolarHBondContact O-N 2.95Å
83V87Confident77Confident75 Ų7574.8 Ų74.846%0.45539%0.394SS..Hα-helixtrans-64.7-45176173.20000110.7T79 M80 V81 C85 H86 D87T79-V83 HydrophobicContact CG2-CG2 4.43Å; T79-V83 WeakPolarHBondContact O-CG2 3.33Å; T79-V83 PolarHBondContact O-N 3.28Å; M80-V83 PolarHBondContact O-N 3.43Å; V81-V83 PolarHBondContact O-N 3.32Å; V83-C85 VanDerWaalsContact C-N 3.34Å; V83-C85 PolarHBondContact O-N 3.44Å; V83-H86 WeakPolarHBondContact O-CB 3.29Å; V83-H86 PolarHBondContact O-N 2.92Å; V83-D87 PolarHBondContact O-N 2.93Å
84C81.3Confident74.5Confident56 Ų5681.6 Ų81.638%0.37843%0.431SS..Hα-helixtrans-60.6-43.3177.4-173.40000111.8M80 V81 F88M80-C84 VanDerWaalsContact O-CB 3.29Å; M80-C84 WeakPolarHBondContact O-CB 3.42Å; M80-C84 PolarHBondContact O-N 2.86Å; V81-C84 PolarHBondContact O-N 3.49Å; C84-F88 VanDerWaalsContact O-CB 3.27Å; C84-F88 WeakPolarHBondContact O-CB 3.31Å; C84-F88 PolarHBondContact O-N 3.19Å
85C78.3Confident71.9Confident63 Ų6392.7 Ų92.743%0.42648%0.483SS..Hα-helixtrans-66.4-38.7175.1-70.40000112.4V81 T82 V83 F88 C89V81-C85 WeakPolarHBondContact O-CB 3.47Å; V81-C85 PolarHBondContact O-N 3.47Å; V81-C85 PolarHBondContact O-SG 3.41Å; V81-C85 VanDerWaalsContact O-SG 3.32Å; T82-C85 PolarHBondContact O-N 2.84Å; V83-C85 VanDerWaalsContact C-N 3.34Å; V83-C85 PolarHBondContact O-N 3.44Å; C85-F88 PolarHBondContact O-N 2.88Å; C85-C89 WeakPolarHBondContact O-CB 3.4Å; C85-C89 PolarHBondContact O-N 3.37Å; C85-C89 PolarHBondContact O-SG 2.75Å; C85-C89 VanDerWaalsContact O-SG 3.38Å
86H76.9Confident70.8Confident100 Ų10094.7 Ų94.746%0.46349%0.494SS..Hα-helixtrans-61.3-50.3175.8-177.9-87.1000111T82 V83 F88 C89 E90T82-H86 VanDerWaalsContact O-CB 3.31Å; T82-H86 WeakPolarHBondContact O-CB 3.27Å; T82-H86 PolarHBondContact O-N 2.95Å; V83-H86 WeakPolarHBondContact O-CB 3.29Å; V83-H86 PolarHBondContact O-N 2.92Å; H86-F88 VanDerWaalsContact C-N 3.29Å; H86-F88 PolarHBondContact O-N 3.38Å; H86-C89 PolarHBondContact O-N 3.23Å; H86-C89 VanDerWaalsContact O-N 3.15Å; H86-E90 IonicContact CE1-OE1 3.23Å; H86-E90 PolarHBondContact CE1-OE1 3.41Å; H86-E90 VanDerWaalsContact CE1-OE1 3.23Å; H86-E90 IonicContact CE1-OE2 3.41Å; H86-E90 PolarHBondContact CE1-OE2 3.39Å; H86-E90 IonicContact ND1-OE2 3.68Å; H86-E90 IonicContact NE2-OE1 3.1Å; H86-E90 PolarHBondContact O-N 3.05Å
87D72.7Confident69.6Low75 Ų7596.4 Ų96.440%0.40150%0.5SS..Hα-helixtrans-61.8-39.2177.3-66.4-8.4000111.1V83 C89 E90 H91V83-D87 PolarHBondContact O-N 2.93Å; D87-C89 VanDerWaalsContact C-N 3.34Å; D87-E90 PolarHBondContact O-N 2.89Å; D87-H91 PolarHBondContact O-N 3.39Å; D87-H91 PolarHBondContact O-ND1 3.15Å
88F60.9Low68.3Low138 Ų138101.3 Ų101.361%0.60553%0.525SS*.Hα-helixtrans-68.4-32177.3-153.5-88.8000112.8C84 C85 H86 H92C84-F88 VanDerWaalsContact O-CB 3.27Å; C84-F88 WeakPolarHBondContact O-CB 3.31Å; C84-F88 PolarHBondContact O-N 3.19Å; C85-F88 PolarHBondContact O-N 2.88Å; H86-F88 VanDerWaalsContact C-N 3.29Å; H86-F88 PolarHBondContact O-N 3.38Å; F88-H92 AromaticContact CD1-CD2 3.9Å; F88-H92 AromaticContact CE1-CD2 3.65Å; F88-H92 AromaticContact CE1-NE2 3.65Å
89C54.7Low66.9Low89 Ų89105.6 Ų105.660%0.60155%0.548SS*.Hα-helixtrans-73.5-38.9173.2-77.90000112.1C85 H86 D87 H92C85-C89 WeakPolarHBondContact O-CB 3.4Å; C85-C89 PolarHBondContact O-N 3.37Å; C85-C89 PolarHBondContact O-SG 2.75Å; C85-C89 VanDerWaalsContact O-SG 3.38Å; H86-C89 PolarHBondContact O-N 3.23Å; H86-C89 VanDerWaalsContact O-N 3.15Å; D87-C89 VanDerWaalsContact C-N 3.34Å; C89-H92 PolarHBondContact O-N 3.37Å
90E49.3Very low65.3Low108 Ų108107.3 Ų107.351%0.50555%0.552SS.*Hα-helixtrans-69-33.6177-71.8-167.3144.800112.5H86 D87 H92 E93H86-E90 IonicContact CE1-OE1 3.23Å; H86-E90 PolarHBondContact CE1-OE1 3.41Å; H86-E90 VanDerWaalsContact CE1-OE1 3.23Å; H86-E90 IonicContact CE1-OE2 3.41Å; H86-E90 PolarHBondContact CE1-OE2 3.39Å; H86-E90 IonicContact ND1-OE2 3.68Å; H86-E90 IonicContact NE2-OE1 3.1Å; H86-E90 PolarHBondContact O-N 3.05Å; D87-E90 PolarHBondContact O-N 2.89Å; E90-H92 VanDerWaalsContact C-N 3.27Å; E90-H92 PolarHBondContact O-N 3.46Å; E90-E93 PolarHBondContact O-N 3.37Å
91H49Very low63.8Low144 Ų144108.1 Ų108.167%0.66756%0.557SS**THydrogen-bonded Turntrans-76.4-10.4177.6-74.373.2000114.3D87D87-H91 PolarHBondContact O-N 3.39Å; D87-H91 PolarHBondContact O-ND1 3.15Å
92H45.3Very low62.1Low117 Ų117114.6 Ų114.654%0.54259%0.59SS.*THydrogen-bonded Turntrans-94.9-2.2176.3-100.5-69.4000113.6F88 C89 E90F88-H92 AromaticContact CD1-CD2 3.9Å; F88-H92 AromaticContact CE1-CD2 3.65Å; F88-H92 AromaticContact CE1-NE2 3.65Å; C89-H92 PolarHBondContact O-N 3.37Å; E90-H92 VanDerWaalsContact C-N 3.27Å; E90-H92 PolarHBondContact O-N 3.46Å
93E41Very low60Low170 Ų170116.8 Ų116.879%0.79460%0.595SS**SBendtrans-87.6-8.2172.2-65.6-167.2157.300113E90E90-E93 PolarHBondContact O-N 3.37Å
94D43.2Very low57.8Low150 Ų150120.3 Ų120.380%0.80261%0.606SS**  trans-105.711.2-177.2-79.2-36.5000115
95E40.6Very low55.6Low234 Ų234126.2 Ų126.2100%1.09363%0.627SS**  trans-115.60170.9-74.2-162.9131.100114.2

Retrieved 95 of 95 residues in 529.6 ms (Link to these results)

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