A0A087YKS4_POEFO Loading...

CASP8 and FADD like apoptosis regulator

AlphaFold DB , UniProt , Accession A0A087YKS4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 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
1M54.4Low71.9Confident159 Ų15983.5 Ų83.578%0.78341%0.409SS*.  0130.90-89.9164.761.600107.8E5 E6 H9M1-E5 WeakPolarHBondContact CA-OE2 3.26Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-E5 HydrophobicContact CE-CB 4.47Å; M1-E5 HydrophobicContact CG-CB 4.19Å; M1-E6 VanDerWaalsContact CE-CA 3.47Å; M1-E6 HydrophobicContact CE-CB 3.91Å; M1-E6 HydrophobicContact CE-CG 4.25Å; M1-H9 HydrophobicContact CE-CB 4.45Å
2S58.2Low73.5Confident48 Ų4879.3 Ų79.334%0.33639%0.389SS..  trans-65.9156.516971.10000109.7F4 E5 E6S2-F4 PolarHBondContact O-N 3.29Å; S2-F4 VanDerWaalsContact O-N 3.15Å; S2-E5 PolarHBondContact N-OE2 3.06Å; S2-E5 PolarHBondContact O-N 2.99Å; S2-E5 VanDerWaalsContact O-N 3.1Å; S2-E5 VanDerWaalsContact OG-CG 3.31Å; S2-E5 WeakPolarHBondContact OG-CG 3.12Å; S2-E5 PolarHBondContact OG-N 3.44Å; S2-E5 VanDerWaalsContact OG-N 3.16Å; S2-E6 PolarHBondContact O-N 2.85Å; S2-E6 VanDerWaalsContact O-N 3.15Å
3P59.3Low74.9Confident92 Ų9275.3 Ų75.360%0.59738%0.377SS*.Hα-helixtrans-53.4-34.1173.6-2735.1000112.5E6 Y7P3-E6 PolarHBondContact O-N 2.69Å; P3-Y7 HydrophobicContact CB-CE2 4.24Å; P3-Y7 WeakPolarHBondContact O-CD2 3.33Å; P3-Y7 VanDerWaalsContact O-CE2 3.32Å; P3-Y7 WeakPolarHBondContact O-CE2 3.44Å; P3-Y7 PolarHBondContact O-N 2.93Å
4F57.6Low76.3Confident134 Ų13470.1 Ų70.159%0.58835%0.351SS*.Hα-helixtrans-66.1-43.7177-173.5-98.2000113S2 E6 Y7 D8S2-F4 PolarHBondContact O-N 3.29Å; S2-F4 VanDerWaalsContact O-N 3.15Å; F4-E6 VanDerWaalsContact C-N 3.28Å; F4-E6 PolarHBondContact O-N 3.07Å; F4-Y7 PolarHBondContact O-N 3.1Å; F4-D8 PolarHBondContact O-N 3.29Å; F4-D8 VanDerWaalsContact O-N 3.07Å
5E65.5Low77.5Confident106 Ų10665.5 Ų65.550%0.49533%0.328SS..Hα-helixtrans-64.3-33.1175.8-72.8167.4172.700112.3M1 S2 H9M1-E5 WeakPolarHBondContact CA-OE2 3.26Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-E5 HydrophobicContact CE-CB 4.47Å; M1-E5 HydrophobicContact CG-CB 4.19Å; S2-E5 PolarHBondContact N-OE2 3.06Å; S2-E5 PolarHBondContact O-N 2.99Å; S2-E5 VanDerWaalsContact O-N 3.1Å; S2-E5 VanDerWaalsContact OG-CG 3.31Å; S2-E5 WeakPolarHBondContact OG-CG 3.12Å; S2-E5 PolarHBondContact OG-N 3.44Å; S2-E5 VanDerWaalsContact OG-N 3.16Å; E5-H9 WeakPolarHBondContact O-CB 3.24Å; E5-H9 PolarHBondContact O-N 3.38Å; E5-H9 VanDerWaalsContact O-N 3.12Å
6E75.1Confident78.5Confident80 Ų8069.4 Ų69.437%0.37435%0.345SS..Hα-helixtrans-68.7-40.2176.6-166.9-178.8157.700112.2M1 S2 P3 F4 R10M1-E6 VanDerWaalsContact CE-CA 3.47Å; M1-E6 HydrophobicContact CE-CB 3.91Å; M1-E6 HydrophobicContact CE-CG 4.25Å; S2-E6 PolarHBondContact O-N 2.85Å; S2-E6 VanDerWaalsContact O-N 3.15Å; P3-E6 PolarHBondContact O-N 2.69Å; F4-E6 VanDerWaalsContact C-N 3.28Å; F4-E6 PolarHBondContact O-N 3.07Å; E6-R10 WeakPolarHBondContact O-CG 3.45Å; E6-R10 PolarHBondContact O-N 3.25Å; E6-R10 VanDerWaalsContact O-N 3.14Å; E6-R10 IonicContact OE1-CZ 3.5Å; E6-R10 VanDerWaalsContact OE1-CZ 3.25Å; E6-R10 IonicContact OE1-NH1 3.97Å; E6-R10 IonicContact OE1-NH2 3.69Å; E6-R10 PolarHBondContact OE1-NH2 3.3Å
7Y75.8Confident79.5Confident72 Ų7268.6 Ų68.628%0.28234%0.342SS..Hα-helixtrans-68.4-43.4176.2-64.8-52.8000112.4P3 F4 H9 R10 I11 P57P3-Y7 HydrophobicContact CB-CE2 4.24Å; P3-Y7 WeakPolarHBondContact O-CD2 3.33Å; P3-Y7 VanDerWaalsContact O-CE2 3.32Å; P3-Y7 WeakPolarHBondContact O-CE2 3.44Å; P3-Y7 PolarHBondContact O-N 2.93Å; F4-Y7 PolarHBondContact O-N 3.1Å; Y7-H9 VanDerWaalsContact C-N 3.29Å; Y7-H9 PolarHBondContact O-N 2.94Å; Y7-R10 PolarHBondContact O-N 3.45Å; Y7-R10 VanDerWaalsContact O-N 3.17Å; Y7-I11 WeakPolarHBondContact O-CG1 3.37Å; Y7-I11 PolarHBondContact O-N 3.18Å; Y7-P57 HydrophobicContact CE1-CG 3.86Å
8D80Confident80.4Confident44 Ų4465.2 Ų65.224%0.23533%0.325CS..Hα-helixtrans-61.9-42.1178.7-162.961.6000111.1F4 R10 I11 N12 R47F4-D8 PolarHBondContact O-N 3.29Å; F4-D8 VanDerWaalsContact O-N 3.07Å; D8-R10 VanDerWaalsContact C-N 3.33Å; D8-R10 PolarHBondContact O-N 2.83Å; D8-I11 PolarHBondContact O-N 3.24Å; D8-N12 WeakPolarHBondContact O-CB 3.2Å; D8-N12 PolarHBondContact O-N 3.29Å; D8-N12 PolarHBondContact O-ND2 3.1Å; D8-N12 PolarHBondContact OD2-ND2 3.25Å; D8-R47 VanDerWaalsContact CG-NH2 3.3Å; D8-R47 IonicContact OD1-CZ 3.81Å; D8-R47 IonicContact OD1-NE 2.81Å; D8-R47 PolarHBondContact OD1-NE 3.1Å; D8-R47 IonicContact OD1-NH2 2.69Å; D8-R47 PolarHBondContact OD1-NH2 2.78Å; D8-R47 IonicContact OD2-CZ 3.57Å; D8-R47 IonicContact OD2-NH2 2.68Å; D8-R47 PolarHBondContact OD2-NH2 2.91Å
9H85.9Confident81.2Confident127 Ų12765.8 Ų65.859%0.58833%0.333SS*.Hα-helixtrans-60.4-41175.5-166.969000112.5M1 E5 Y7 N12 A13M1-H9 HydrophobicContact CE-CB 4.45Å; E5-H9 WeakPolarHBondContact O-CB 3.24Å; E5-H9 PolarHBondContact O-N 3.38Å; E5-H9 VanDerWaalsContact O-N 3.12Å; Y7-H9 VanDerWaalsContact C-N 3.29Å; Y7-H9 PolarHBondContact O-N 2.94Å; H9-N12 PolarHBondContact O-N 3.39Å; H9-A13 PolarHBondContact O-N 2.76Å
10R88.4Confident81.9Confident52 Ų5265.9 Ų65.920%0.19634%0.337CS..Hα-helixtrans-66-44.1175.8-72.7-178.9174.9148.77.8112.5E6 Y7 D8 N12 A13 I14 V76E6-R10 WeakPolarHBondContact O-CG 3.45Å; E6-R10 PolarHBondContact O-N 3.25Å; E6-R10 VanDerWaalsContact O-N 3.14Å; E6-R10 IonicContact OE1-CZ 3.5Å; E6-R10 VanDerWaalsContact OE1-CZ 3.25Å; E6-R10 IonicContact OE1-NH1 3.97Å; E6-R10 IonicContact OE1-NH2 3.69Å; E6-R10 PolarHBondContact OE1-NH2 3.3Å; Y7-R10 PolarHBondContact O-N 3.45Å; Y7-R10 VanDerWaalsContact O-N 3.17Å; D8-R10 VanDerWaalsContact C-N 3.33Å; D8-R10 PolarHBondContact O-N 2.83Å; R10-N12 VanDerWaalsContact C-N 3.29Å; R10-N12 PolarHBondContact O-N 2.69Å; R10-A13 PolarHBondContact O-N 3.09Å; R10-I14 WeakPolarHBondContact O-CB 3.31Å; R10-I14 WeakPolarHBondContact O-CD1 3.03Å; R10-I14 WeakPolarHBondContact O-CG1 3.25Å; R10-I14 PolarHBondContact O-N 2.69Å; R10-V76 HydrophobicContact CB-CG1 4.03Å; R10-V76 HydrophobicContact CG-CG1 3.72Å
11I90.6Very high82.3Confident4 Ų464.3 Ų64.32%0.02134%0.337CS..Hα-helixtrans-62.1-42.1177.9-67169000110.1Y7 D8 I14 A15 R43 L46 R47 V50 L60Y7-I11 WeakPolarHBondContact O-CG1 3.37Å; Y7-I11 PolarHBondContact O-N 3.18Å; D8-I11 PolarHBondContact O-N 3.24Å; I11-I14 PolarHBondContact O-N 3.48Å; I11-A15 WeakPolarHBondContact O-CB 3.33Å; I11-A15 PolarHBondContact O-N 3.37Å; I11-R43 HydrophobicContact CG2-CB 4.5Å; I11-R43 HydrophobicContact CG2-CG 4.05Å; I11-L46 HydrophobicContact CG2-CB 3.76Å; I11-L46 HydrophobicContact CG2-CD1 4.23Å; I11-R47 HydrophobicContact CD1-CG 3.91Å; I11-R47 HydrophobicContact CG2-CG 4.28Å; I11-V50 HydrophobicContact CD1-CB 4.13Å; I11-V50 HydrophobicContact CD1-CG1 4.08Å; I11-V50 HydrophobicContact CD1-CG2 4.18Å; I11-L60 HydrophobicContact CG1-CD1 3.96Å
12N91.5Very high84.3Confident33 Ų3357.6 Ų57.618%0.17631%0.305CS..Hα-helixtrans-60.2-49.9177.3-68-27.9000111.2D8 H9 R10 I14 A15 E16 R43D8-N12 WeakPolarHBondContact O-CB 3.2Å; D8-N12 PolarHBondContact O-N 3.29Å; D8-N12 PolarHBondContact O-ND2 3.1Å; D8-N12 PolarHBondContact OD2-ND2 3.25Å; H9-N12 PolarHBondContact O-N 3.39Å; R10-N12 VanDerWaalsContact C-N 3.29Å; R10-N12 PolarHBondContact O-N 2.69Å; N12-I14 PolarHBondContact O-N 3.5Å; N12-A15 PolarHBondContact O-N 2.71Å; N12-E16 WeakPolarHBondContact O-CG 2.82Å; N12-E16 PolarHBondContact O-N 2.83Å; N12-E16 VanDerWaalsContact O-N 3.15Å; N12-R43 WeakPolarHBondContact OD1-CD 3.46Å; N12-R43 VanDerWaalsContact OD1-CG 3.32Å; N12-R43 WeakPolarHBondContact OD1-CG 3.45Å; N12-R43 PolarHBondContact OD1-NE 3.05Å
13A91.9Very high86.1Confident28 Ų2857.2 Ų57.223%0.23130%0.296CS..Hα-helixtrans-60.1-46.4176.800000112.2H9 R10 A15 E16 D17H9-A13 PolarHBondContact O-N 2.76Å; R10-A13 PolarHBondContact O-N 3.09Å; A13-A15 PolarHBondContact O-N 2.95Å; A13-E16 PolarHBondContact O-N 2.83Å; A13-D17 WeakPolarHBondContact O-CB 3.39Å; A13-D17 VanDerWaalsContact O-CG 3.24Å; A13-D17 PolarHBondContact O-N 3.06Å; A13-D17 VanDerWaalsContact O-N 3.08Å
14I94.2Very high87.8Confident3 Ų356.3 Ų56.32%0.01528%0.28CS..Hα-helixtrans-58.4-51.6177.1-69.9164.5000110.3R10 I11 N12 E16 D17 L18 L46 L60 L64 I72 V76 Y77R10-I14 WeakPolarHBondContact O-CB 3.31Å; R10-I14 WeakPolarHBondContact O-CD1 3.03Å; R10-I14 WeakPolarHBondContact O-CG1 3.25Å; R10-I14 PolarHBondContact O-N 2.69Å; I11-I14 PolarHBondContact O-N 3.48Å; N12-I14 PolarHBondContact O-N 3.5Å; I14-E16 PolarHBondContact O-N 3.11Å; I14-D17 PolarHBondContact O-N 3.17Å; I14-D17 VanDerWaalsContact O-N 3.13Å; I14-L18 HydrophobicContact CG2-CD1 3.96Å; I14-L18 HydrophobicContact CG2-CG 4.19Å; I14-L18 VanDerWaalsContact O-CG 3.28Å; I14-L18 WeakPolarHBondContact O-CG 3.37Å; I14-L18 PolarHBondContact O-N 3.18Å; I14-L46 HydrophobicContact CG2-CD1 4.19Å; I14-L60 HydrophobicContact CD1-CB 4.32Å; I14-L60 HydrophobicContact CD1-CD1 4.24Å; I14-L60 HydrophobicContact CD1-CD2 4.37Å; I14-L64 HydrophobicContact CD1-CD1 4.12Å; I14-L64 HydrophobicContact CG1-CD1 4.28Å; I14-L64 HydrophobicContact CG2-CD2 3.98Å; I14-I72 HydrophobicContact CG1-CG2 4.02Å; I14-V76 HydrophobicContact CG1-CG2 4.46Å; I14-Y77 HydrophobicContact CD1-CE2 4.1Å
15A94.1Very high89.6Confident0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-60.8-33-175.800000113I11 N12 A13 V39 V42 R43I11-A15 WeakPolarHBondContact O-CB 3.33Å; I11-A15 PolarHBondContact O-N 3.37Å; N12-A15 PolarHBondContact O-N 2.71Å; A13-A15 PolarHBondContact O-N 2.95Å; A15-V39 HydrophobicContact CB-CG1 3.94Å; A15-V42 HydrophobicContact CB-CB 4.4Å; A15-V42 HydrophobicContact CB-CG1 4.16Å; A15-R43 HydrophobicContact CB-CB 4.08Å
16E93.9Very high91Very high128 Ų12846.9 Ų46.960%0.59824%0.238SC*.Hα-helixtrans-74.8-35.5176.4-73.3-179.3-172.700113N12 A13 I14 V39 R43N12-E16 WeakPolarHBondContact O-CG 2.82Å; N12-E16 PolarHBondContact O-N 2.83Å; N12-E16 VanDerWaalsContact O-N 3.15Å; A13-E16 PolarHBondContact O-N 2.83Å; I14-E16 PolarHBondContact O-N 3.11Å; E16-V39 HydrophobicContact CG-CG1 3.91Å; E16-R43 IonicContact OE1-NH2 3.79Å
17D95Very high91.8Very high57 Ų5743.2 Ų43.231%0.30522%0.221SC..Hα-helixtrans-83.7-11.3-175.7-70.8-46.7000114.2A13 I14 R69 I72 R75A13-D17 WeakPolarHBondContact O-CB 3.39Å; A13-D17 VanDerWaalsContact O-CG 3.24Å; A13-D17 PolarHBondContact O-N 3.06Å; A13-D17 VanDerWaalsContact O-N 3.08Å; I14-D17 PolarHBondContact O-N 3.17Å; I14-D17 VanDerWaalsContact O-N 3.13Å; D17-R69 PolarHBondContact O-NH1 2.91Å; D17-R69 PolarHBondContact O-NH2 3.43Å; D17-I72 HydrophobicContact CB-CD1 3.74Å; D17-I72 HydrophobicContact CB-CG1 4.21Å; D17-R75 IonicContact OD1-CZ 3.51Å; D17-R75 IonicContact OD1-NH2 3.13Å; D17-R75 IonicContact OD2-CZ 2.75Å; D17-R75 IonicContact OD2-NE 3.07Å; D17-R75 PolarHBondContact OD2-NE 2.82Å; D17-R75 IonicContact OD2-NH2 3.43Å; D17-R75 PolarHBondContact OD2-NH2 2.86Å
18L96.2Very high92.6Very high7 Ų739.9 Ų39.94%0.03721%0.208CC..SBendtrans-80.1134.4177.2-70.3-179.1000111.7I14 D22 R23 A26 V42 L64 L67 R69 I72I14-L18 HydrophobicContact CG2-CD1 3.96Å; I14-L18 HydrophobicContact CG2-CG 4.19Å; I14-L18 VanDerWaalsContact O-CG 3.28Å; I14-L18 WeakPolarHBondContact O-CG 3.37Å; I14-L18 PolarHBondContact O-N 3.18Å; L18-D22 HydrophobicContact CB-CB 3.98Å; L18-D22 HydrophobicContact CD2-CB 3.83Å; L18-D22 HydrophobicContact CG-CB 4.34Å; L18-R23 HydrophobicContact CB-CG 3.62Å; L18-A26 HydrophobicContact CD1-CB 4.08Å; L18-V42 HydrophobicContact CD1-CG1 4.37Å; L18-L64 HydrophobicContact CD2-CD2 4.12Å; L18-L67 HydrophobicContact CD1-CD1 4.22Å; L18-L67 HydrophobicContact CD2-CD1 3.85Å; L18-R69 HydrophobicContact CD2-CG 4.08Å; L18-I72 HydrophobicContact CD2-CD1 3.66Å; L18-I72 HydrophobicContact CG-CD1 4.36Å
19T95.9Very high93.1Very high77 Ų7737.8 Ų37.847%0.47220%0.196SC..  trans-66.6164.1173.368.90000110.8G21 D22 R23T19-G21 PolarHBondContact O-N 3.01Å; T19-D22 PolarHBondContact N-OD2 3.31Å; T19-D22 PolarHBondContact O-N 2.98Å; T19-D22 VanDerWaalsContact O-N 3.1Å; T19-D22 PolarHBondContact OG1-N 3.35Å; T19-D22 VanDerWaalsContact OG1-N 3.15Å; T19-D22 PolarHBondContact OG1-OD1 2.83Å; T19-D22 PolarHBondContact OG1-OD2 2.99Å; T19-R23 WeakPolarHBondContact O-CB 3.35Å; T19-R23 VanDerWaalsContact O-CG 3.26Å; T19-R23 WeakPolarHBondContact O-CG 3.46Å; T19-R23 PolarHBondContact O-N 3.23Å
20T93.5Very high93.1Very high66 Ų6632 Ų3241%0.40517%0.17SC..Hα-helixtrans-55.4-36.8175.5-51.30000112.9R23 R24T20-R23 PolarHBondContact OG1-NH2 3.32Å; T20-R24 WeakPolarHBondContact O-CG 3.47Å; T20-R24 PolarHBondContact O-N 3.15Å
21G91.9Very high92.8Very high34 Ų3430.9 Ų30.935%0.35117%0.174SC..Hα-helixtrans-67.6-45.5174.700000112.3T19 R23 R24 K25T19-G21 PolarHBondContact O-N 3.01Å; G21-R23 VanDerWaalsContact C-N 3.31Å; G21-R23 PolarHBondContact O-N 3.45Å; G21-R24 PolarHBondContact O-N 2.9Å; G21-K25 WeakPolarHBondContact O-CG 3.28Å; G21-K25 PolarHBondContact O-N 3.35Å
22D95.9Very high92.5Very high18 Ų1832 Ų3210%0.09618%0.182CC..Hα-helixtrans-64-37.5178.5-59.5-27.7000112L18 T19 R24 K25 A26 L67 R69L18-D22 HydrophobicContact CB-CB 3.98Å; L18-D22 HydrophobicContact CD2-CB 3.83Å; L18-D22 HydrophobicContact CG-CB 4.34Å; T19-D22 PolarHBondContact N-OD2 3.31Å; T19-D22 PolarHBondContact O-N 2.98Å; T19-D22 VanDerWaalsContact O-N 3.1Å; T19-D22 PolarHBondContact OG1-N 3.35Å; T19-D22 VanDerWaalsContact OG1-N 3.15Å; T19-D22 PolarHBondContact OG1-OD1 2.83Å; T19-D22 PolarHBondContact OG1-OD2 2.99Å; D22-R24 PolarHBondContact O-N 3.49Å; D22-K25 PolarHBondContact O-N 2.81Å; D22-A26 WeakPolarHBondContact O-CB 3.48Å; D22-A26 PolarHBondContact O-N 3.13Å; D22-L67 HydrophobicContact CB-CD1 4.33Å; D22-L67 HydrophobicContact CB-CD2 4.48Å; D22-R69 IonicContact OD2-CZ 2.87Å; D22-R69 IonicContact OD2-NH1 3.86Å; D22-R69 PolarHBondContact OD2-NH1 3.07Å
23R96.3Very high92.2Very high39 Ų3933.1 Ų33.115%0.14719%0.188CC..Hα-helixtrans-59.7-45.2177.1-77.1-171.8-71.3167.20.2111.9L18 T19 T20 G21 A26 I27 S37 V39 V42L18-R23 HydrophobicContact CB-CG 3.62Å; T19-R23 WeakPolarHBondContact O-CB 3.35Å; T19-R23 VanDerWaalsContact O-CG 3.26Å; T19-R23 WeakPolarHBondContact O-CG 3.46Å; T19-R23 PolarHBondContact O-N 3.23Å; T20-R23 PolarHBondContact OG1-NH2 3.32Å; G21-R23 VanDerWaalsContact C-N 3.31Å; G21-R23 PolarHBondContact O-N 3.45Å; R23-A26 PolarHBondContact O-N 2.77Å; R23-I27 WeakPolarHBondContact O-CG1 3.27Å; R23-I27 PolarHBondContact O-N 3.01Å; R23-I27 VanDerWaalsContact O-N 3.08Å; R23-S37 WeakPolarHBondContact CD-O 3.47Å; R23-S37 PolarHBondContact NE-O 3.14Å; R23-S37 PolarHBondContact NH1-O 3.47Å; R23-V39 VanDerWaalsContact NH1-N 3.14Å; R23-V42 HydrophobicContact CB-CG2 3.47Å; R23-V42 VanDerWaalsContact CB-CG2 3.47Å; R23-V42 HydrophobicContact CG-CG2 3.62Å
24R94.3Very high91.9Very high73 Ų7334.9 Ų34.928%0.27520%0.196SC..Hα-helixtrans-61.1-47.3175-68.6174.4-169-166.4-6.3111.8T20 G21 D22 A26 I27 Y28 S37 E138T20-R24 WeakPolarHBondContact O-CG 3.47Å; T20-R24 PolarHBondContact O-N 3.15Å; G21-R24 PolarHBondContact O-N 2.9Å; D22-R24 PolarHBondContact O-N 3.49Å; R24-A26 PolarHBondContact O-N 3.21Å; R24-I27 PolarHBondContact O-N 3.28Å; R24-Y28 WeakPolarHBondContact O-CB 3.47Å; R24-Y28 PolarHBondContact O-N 3Å; R24-S37 VanDerWaalsContact CG-CB 3.45Å; R24-S37 PolarHBondContact NE-OG 2.7Å; R24-E138 IonicContact CZ-OE1 2.8Å; R24-E138 IonicContact NE-OE1 2.77Å; R24-E138 IonicContact NH1-OE1 3.6Å; R24-E138 PolarHBondContact NH1-OE1 3.05Å; R24-E138 IonicContact NH2-OE1 3.94Å
25K95.9Very high91.6Very high43 Ų4338.3 Ų38.319%0.18722%0.217CC..Hα-helixtrans-62.4-42.4178.6-67.1174.4-167.7-179.50111.4G21 D22 I27 Y28 L29 L67 V103 D107 L137G21-K25 WeakPolarHBondContact O-CG 3.28Å; G21-K25 PolarHBondContact O-N 3.35Å; D22-K25 PolarHBondContact O-N 2.81Å; K25-I27 PolarHBondContact O-N 3.45Å; K25-Y28 PolarHBondContact O-N 2.77Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.42Å; K25-L29 PolarHBondContact O-N 3.01Å; K25-L67 HydrophobicContact CB-CD2 3.34Å; K25-L67 HydrophobicContact CD-CD2 3.96Å; K25-L67 HydrophobicContact CG-CD2 4.31Å; K25-V103 HydrophobicContact CB-CG1 4.42Å; K25-V103 HydrophobicContact CD-CG1 4.15Å; K25-V103 HydrophobicContact CG-CG1 4.27Å; K25-D107 WeakPolarHBondContact CE-OD1 3.33Å; K25-D107 IonicContact NZ-OD1 2.57Å; K25-D107 PolarHBondContact NZ-OD1 3.09Å; K25-D107 IonicContact NZ-OD2 3.61Å; K25-L137 HydrophobicContact CB-CD1 4.49Å; K25-L137 HydrophobicContact CG-CD1 3.79Å
26A94.1Very high91.3Very high0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-59.8-46.7177.400000111.9L18 D22 R23 R24 Y28 L29 C30 I63 L67L18-A26 HydrophobicContact CD1-CB 4.08Å; D22-A26 WeakPolarHBondContact O-CB 3.48Å; D22-A26 PolarHBondContact O-N 3.13Å; R23-A26 PolarHBondContact O-N 2.77Å; R24-A26 PolarHBondContact O-N 3.21Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-Y28 PolarHBondContact O-N 3.01Å; A26-L29 PolarHBondContact O-N 2.85Å; A26-C30 PolarHBondContact O-N 3.28Å; A26-C30 VanDerWaalsContact O-N 3.14Å; A26-C30 PolarHBondContact O-SG 2.98Å; A26-I63 HydrophobicContact CB-CG2 4.04Å; A26-L67 HydrophobicContact CB-CD1 4.12Å
27I91.5Very high91.2Very high3 Ų337 Ų372%0.01522%0.216CC..Hα-helixtrans-60.7-44.5176.3-71.5171.3000111.1R23 R24 K25 C30 S32 V34 D36 C41 V42 T45R23-I27 WeakPolarHBondContact O-CG1 3.27Å; R23-I27 PolarHBondContact O-N 3.01Å; R23-I27 VanDerWaalsContact O-N 3.08Å; R24-I27 PolarHBondContact O-N 3.28Å; K25-I27 PolarHBondContact O-N 3.45Å; I27-C30 VanDerWaalsContact O-CB 3.29Å; I27-C30 WeakPolarHBondContact O-CB 3.19Å; I27-C30 PolarHBondContact O-N 3.15Å; I27-S32 PolarHBondContact O-N 2.93Å; I27-V34 HydrophobicContact CG2-CG2 3.49Å; I27-V34 VanDerWaalsContact CG2-CG2 3.49Å; I27-D36 WeakPolarHBondContact CD1-O 3.49Å; I27-C41 HydrophobicContact CD1-CB 4.41Å; I27-V42 HydrophobicContact CD1-CB 4.43Å; I27-V42 HydrophobicContact CD1-CG2 3.55Å; I27-V42 HydrophobicContact CG1-CB 4.44Å; I27-V42 HydrophobicContact CG1-CG2 3.87Å; I27-T45 HydrophobicContact CG1-CG2 4.42Å
28Y93.2Very high91.2Very high2 Ų236 Ų361%0.00821%0.213CC..Hα-helixtrans-67.2-40.3179.4-174-92000112.4R24 K25 A26 C30 G31 F98 R99 M102 V103 L137 I141 E144R24-Y28 WeakPolarHBondContact O-CB 3.47Å; R24-Y28 PolarHBondContact O-N 3Å; K25-Y28 PolarHBondContact O-N 2.77Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-Y28 PolarHBondContact O-N 3.01Å; Y28-C30 PolarHBondContact O-N 3.36Å; Y28-G31 WeakPolarHBondContact O-CA 3.34Å; Y28-G31 PolarHBondContact O-N 2.8Å; Y28-F98 WeakPolarHBondContact OH-CE1 3.46Å; Y28-R99 HydrophobicContact CD1-CB 4.4Å; Y28-R99 HydrophobicContact CE1-CB 4.18Å; Y28-R99 WeakPolarHBondContact O-CD 3.2Å; Y28-R99 PolarHBondContact OH-NH1 3.17Å; Y28-M102 HydrophobicContact CE1-CB 3.7Å; Y28-M102 HydrophobicContact CE1-CG 4.48Å; Y28-M102 WeakPolarHBondContact OH-CG 3.28Å; Y28-V103 HydrophobicContact CD1-CG2 3.82Å; Y28-V103 HydrophobicContact CE1-CG2 4.44Å; Y28-L137 HydrophobicContact CD1-CD2 3.89Å; Y28-L137 HydrophobicContact CE1-CD2 3.9Å; Y28-L137 HydrophobicContact CG-CD1 4.48Å; Y28-L137 HydrophobicContact CG-CD2 4.24Å; Y28-I141 HydrophobicContact CD2-CD1 4.03Å; Y28-I141 HydrophobicContact CD2-CG1 3.79Å; Y28-I141 HydrophobicContact CE2-CG1 3.86Å; Y28-E144 WeakPolarHBondContact CE2-OE1 3.47Å; Y28-E144 PolarHBondContact OH-OE1 3.2Å
29L91Very high91Very high0 Ų037.5 Ų37.50%022%0.223CC..Hα-helixtrans-60.4-31.3174.5-73.4168.9000112.4K25 A26 G31 I63 Q66 L67 L95 R99 V100 V103K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.42Å; K25-L29 PolarHBondContact O-N 3.01Å; A26-L29 PolarHBondContact O-N 2.85Å; L29-G31 PolarHBondContact O-N 3.5Å; L29-I63 HydrophobicContact CD1-CG2 4.41Å; L29-Q66 HydrophobicContact CD1-CB 3.91Å; L29-Q66 HydrophobicContact CD1-CG 3.67Å; L29-Q66 HydrophobicContact CD2-CG 3.91Å; L29-Q66 HydrophobicContact CG-CG 4.46Å; L29-L67 HydrophobicContact CD1-CD2 4.29Å; L29-L95 HydrophobicContact CD2-CD1 4.47Å; L29-R99 HydrophobicContact CD2-CB 4.35Å; L29-V100 HydrophobicContact CD2-CG2 4.13Å; L29-V103 HydrophobicContact CD2-CB 4.27Å; L29-V103 HydrophobicContact CD2-CG2 3.78Å; L29-V103 HydrophobicContact CG-CG2 3.94Å
30C85.7Confident90.8Very high5 Ų538.4 Ų38.43%0.03423%0.228CC..THydrogen-bonded Turntrans-71.7-5.5172-780000113.9A26 I27 Y28 T45 K49A26-C30 PolarHBondContact O-N 3.28Å; A26-C30 VanDerWaalsContact O-N 3.14Å; A26-C30 PolarHBondContact O-SG 2.98Å; I27-C30 VanDerWaalsContact O-CB 3.29Å; I27-C30 WeakPolarHBondContact O-CB 3.19Å; I27-C30 PolarHBondContact O-N 3.15Å; Y28-C30 PolarHBondContact O-N 3.36Å; C30-T45 HydrophobicContact CB-CG2 3.65Å; C30-K49 HydrophobicContact CB-CD 4.39Å; C30-K49 HydrophobicContact CB-CG 3.83Å; C30-K49 WeakPolarHBondContact O-CD 3.41Å; C30-K49 WeakPolarHBondContact O-CE 3.42Å; C30-K49 PolarHBondContact O-NZ 3.11Å
31G82.1Confident90.6Very high28 Ų2836.3 Ų36.329%0.28922%0.216SC..THydrogen-bonded Turntrans78.617.8-178.200000114.3Y28 L29Y28-G31 WeakPolarHBondContact O-CA 3.34Å; Y28-G31 PolarHBondContact O-N 2.8Å; L29-G31 PolarHBondContact O-N 3.5Å
32S83.6Confident90.6Very high27 Ų2734.7 Ų34.719%0.18920%0.199CC..  trans-87.7138.4175.4-176.10000110.9I27 V34I27-S32 PolarHBondContact O-N 2.93Å; S32-V34 VanDerWaalsContact OG-CG2 3.31Å; S32-V34 WeakPolarHBondContact OG-CG2 3.3Å
33L85.9Confident90.4Very high57 Ų5736.5 Ų36.530%0.29821%0.205SC..  trans-98.418.2-179.4-59.3-175.8000113I141 E144 K145L33-I141 HydrophobicContact CB-CG2 4.16Å; L33-I141 HydrophobicContact CD2-CG1 4.27Å; L33-I141 VanDerWaalsContact O-CG2 3.25Å; L33-I141 WeakPolarHBondContact O-CG2 3.29Å; L33-E144 HydrophobicContact CD1-CB 4.43Å; L33-E144 HydrophobicContact CD2-CB 4.32Å; L33-K145 HydrophobicContact CD1-CG 4.31Å
34V86.4Confident90Very high66 Ų6639.1 Ų39.140%0.422%0.219SC..  trans-83.9143.2176-56.10000110.8I27 S32I27-V34 HydrophobicContact CG2-CG2 3.49Å; I27-V34 VanDerWaalsContact CG2-CG2 3.49Å; S32-V34 VanDerWaalsContact OG-CG2 3.31Å; S32-V34 WeakPolarHBondContact OG-CG2 3.3Å
35T87.3Confident89.5Confident75 Ų7536.6 Ų36.646%0.4621%0.211SC..  trans-98.7-8.6177.754.10000113S37 E138 I141T35-S37 PolarHBondContact O-N 2.73Å; T35-E138 HydrophobicContact CG2-CG 4.18Å; T35-I141 HydrophobicContact CG2-CD1 4.31Å; T35-I141 HydrophobicContact CG2-CG2 4.47Å
36D88.4Confident89.1Confident84 Ų8434.6 Ų34.645%0.44920%0.203SC..  trans-61.7124.6172.2-177.112.9000109.4I27 S38 C41I27-D36 WeakPolarHBondContact CD1-O 3.49Å; D36-S38 WeakPolarHBondContact OD1-CB 3.41Å; D36-S38 PolarHBondContact OD1-N 3.38Å; D36-S38 PolarHBondContact OD1-OG 3.22Å; D36-S38 PolarHBondContact OD2-OG 3.47Å; D36-C41 HydrophobicContact CB-CB 4.18Å; D36-C41 WeakPolarHBondContact OD2-CB 3.42Å
37S91.3Very high88.6Confident16 Ų1637.6 Ų37.611%0.11221%0.214CC..  trans-114.618.7179.6480000112.4R23 R24 T35R23-S37 WeakPolarHBondContact CD-O 3.47Å; R23-S37 PolarHBondContact NE-O 3.14Å; R23-S37 PolarHBondContact NH1-O 3.47Å; R24-S37 VanDerWaalsContact CG-CB 3.45Å; R24-S37 PolarHBondContact NE-OG 2.7Å; T35-S37 PolarHBondContact O-N 2.73Å
38S94Very high87.7Confident37 Ų3740.3 Ų40.326%0.25923%0.231SC..  trans-58.5150.7172.871.10000111.3D36 T40 C41 V42D36-S38 WeakPolarHBondContact OD1-CB 3.41Å; D36-S38 PolarHBondContact OD1-N 3.38Å; D36-S38 PolarHBondContact OD1-OG 3.22Å; D36-S38 PolarHBondContact OD2-OG 3.47Å; S38-T40 PolarHBondContact O-N 3.28Å; S38-C41 PolarHBondContact O-N 3.43Å; S38-C41 VanDerWaalsContact OG-CB 3.22Å; S38-C41 WeakPolarHBondContact OG-CB 3.24Å; S38-C41 PolarHBondContact OG-N 2.74Å; S38-C41 VanDerWaalsContact OG-N 3.08Å; S38-V42 WeakPolarHBondContact O-CG2 3.4Å; S38-V42 PolarHBondContact O-N 3.28Å; S38-V42 VanDerWaalsContact O-N 3.15Å
39V94Very high86.8Confident38 Ų3844.2 Ų44.223%0.2325%0.247CC..Hα-helixtrans-56.9-40.4176.11770000110A15 E16 R23 V42 R43A15-V39 HydrophobicContact CB-CG1 3.94Å; E16-V39 HydrophobicContact CG-CG1 3.91Å; R23-V39 VanDerWaalsContact NH1-N 3.14Å; V39-V42 PolarHBondContact O-N 2.94Å; V39-R43 VanDerWaalsContact O-CB 3.28Å; V39-R43 WeakPolarHBondContact O-CB 3.13Å; V39-R43 PolarHBondContact O-N 3.1Å
40T91.8Very high86Confident95 Ų9544.4 Ų44.458%0.58325%0.249SC*.Hα-helixtrans-61-46.4178.3-48.50000112.1S38 R43 E44S38-T40 PolarHBondContact O-N 3.28Å; T40-R43 PolarHBondContact O-N 2.76Å; T40-E44 PolarHBondContact O-N 3Å
41C88.3Confident84.9Confident22 Ų2248.3 Ų48.315%0.14927%0.269CS..Hα-helixtrans-64-42.9179.7-176.80000112.2I27 D36 S38 E44 T45I27-C41 HydrophobicContact CD1-CB 4.41Å; D36-C41 HydrophobicContact CB-CB 4.18Å; D36-C41 WeakPolarHBondContact OD2-CB 3.42Å; S38-C41 PolarHBondContact O-N 3.43Å; S38-C41 VanDerWaalsContact OG-CB 3.22Å; S38-C41 WeakPolarHBondContact OG-CB 3.24Å; S38-C41 PolarHBondContact OG-N 2.74Å; S38-C41 VanDerWaalsContact OG-N 3.08Å; C41-E44 PolarHBondContact O-N 2.86Å; C41-T45 WeakPolarHBondContact O-CB 3.44Å; C41-T45 PolarHBondContact O-N 2.92Å; C41-T45 PolarHBondContact O-OG1 2.83Å
42V92Very high83.3Confident0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-63.2-46.4176.9177.50000110.6A15 L18 R23 I27 S38 V39 E44 T45 L46A15-V42 HydrophobicContact CB-CB 4.4Å; A15-V42 HydrophobicContact CB-CG1 4.16Å; L18-V42 HydrophobicContact CD1-CG1 4.37Å; R23-V42 HydrophobicContact CB-CG2 3.47Å; R23-V42 VanDerWaalsContact CB-CG2 3.47Å; R23-V42 HydrophobicContact CG-CG2 3.62Å; I27-V42 HydrophobicContact CD1-CB 4.43Å; I27-V42 HydrophobicContact CD1-CG2 3.55Å; I27-V42 HydrophobicContact CG1-CB 4.44Å; I27-V42 HydrophobicContact CG1-CG2 3.87Å; S38-V42 WeakPolarHBondContact O-CG2 3.4Å; S38-V42 PolarHBondContact O-N 3.28Å; S38-V42 VanDerWaalsContact O-N 3.15Å; V39-V42 PolarHBondContact O-N 2.94Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-E44 PolarHBondContact O-N 3.46Å; V42-T45 PolarHBondContact O-N 3.09Å; V42-L46 HydrophobicContact CG1-CD1 3.83Å; V42-L46 HydrophobicContact CG1-CG 4.19Å; V42-L46 WeakPolarHBondContact O-CB 3.13Å; V42-L46 VanDerWaalsContact O-CG 3.25Å; V42-L46 WeakPolarHBondContact O-CG 3.43Å; V42-L46 PolarHBondContact O-N 3.32Å
43R92.1Very high82.3Confident56 Ų5652.9 Ų52.921%0.21128%0.279CS..Hα-helixtrans-56.2-48.8177.7-178.9-168.5-61.2165.5-1.7111.1I11 N12 A15 E16 V39 T40 L46 R47I11-R43 HydrophobicContact CG2-CB 4.5Å; I11-R43 HydrophobicContact CG2-CG 4.05Å; N12-R43 WeakPolarHBondContact OD1-CD 3.46Å; N12-R43 VanDerWaalsContact OD1-CG 3.32Å; N12-R43 WeakPolarHBondContact OD1-CG 3.45Å; N12-R43 PolarHBondContact OD1-NE 3.05Å; A15-R43 HydrophobicContact CB-CB 4.08Å; E16-R43 IonicContact OE1-NH2 3.79Å; V39-R43 VanDerWaalsContact O-CB 3.28Å; V39-R43 WeakPolarHBondContact O-CB 3.13Å; V39-R43 PolarHBondContact O-N 3.1Å; T40-R43 PolarHBondContact O-N 2.76Å; R43-L46 PolarHBondContact O-N 3.42Å; R43-R47 WeakPolarHBondContact O-CB 3.07Å; R43-R47 VanDerWaalsContact O-CG 3.27Å; R43-R47 WeakPolarHBondContact O-CG 3.27Å; R43-R47 PolarHBondContact O-N 3.03Å
44E86.5Confident81Confident95 Ų9555 Ų5544%0.44430%0.296SS..Hα-helixtrans-66.8-43.2-179.7-165.455.3-146.800112T40 C41 V42 L46 R47 V48T40-E44 PolarHBondContact O-N 3Å; C41-E44 PolarHBondContact O-N 2.86Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-E44 PolarHBondContact O-N 3.46Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.47Å; E44-R47 WeakPolarHBondContact O-CB 3.31Å; E44-R47 PolarHBondContact O-N 2.82Å; E44-R47 IonicContact OE2-NH1 2.73Å; E44-V48 VanDerWaalsContact O-CG2 3.32Å; E44-V48 WeakPolarHBondContact O-CG2 3.43Å; E44-V48 PolarHBondContact O-N 2.59Å
45T84.5Confident80.5Confident19 Ų1954.5 Ų54.512%0.11729%0.291CS..Hα-helixtrans-60.1-43.8176.3-58.40000111.5I27 C30 C41 V42 K49I27-T45 HydrophobicContact CG1-CG2 4.42Å; C30-T45 HydrophobicContact CB-CG2 3.65Å; C41-T45 WeakPolarHBondContact O-CB 3.44Å; C41-T45 PolarHBondContact O-N 2.92Å; C41-T45 PolarHBondContact O-OG1 2.83Å; V42-T45 PolarHBondContact O-N 3.09Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.09Å; T45-K49 VanDerWaalsContact O-N 3.08Å
46L87Confident80.1Confident2 Ų252.3 Ų52.31%0.0128%0.278CS..Hα-helixtrans-66.2-45175.8-69.9178.7000110.9I11 I14 V42 R43 E44 V48 K49 V50 L60 I63I11-L46 HydrophobicContact CG2-CB 3.76Å; I11-L46 HydrophobicContact CG2-CD1 4.23Å; I14-L46 HydrophobicContact CG2-CD1 4.19Å; V42-L46 HydrophobicContact CG1-CD1 3.83Å; V42-L46 HydrophobicContact CG1-CG 4.19Å; V42-L46 WeakPolarHBondContact O-CB 3.13Å; V42-L46 VanDerWaalsContact O-CG 3.25Å; V42-L46 WeakPolarHBondContact O-CG 3.43Å; V42-L46 PolarHBondContact O-N 3.32Å; R43-L46 PolarHBondContact O-N 3.42Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.47Å; L46-V48 PolarHBondContact O-N 3.29Å; L46-K49 PolarHBondContact O-N 2.98Å; L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.35Å; L46-V50 PolarHBondContact O-N 3.38Å; L46-L60 HydrophobicContact CB-CD2 4.49Å; L46-L60 HydrophobicContact CD1-CD2 4.26Å; L46-L60 HydrophobicContact CD2-CD2 3.93Å; L46-L60 HydrophobicContact CG-CD2 4.46Å; L46-I63 HydrophobicContact CD2-CD1 3.65Å
47R84.3Confident79.9Confident63 Ų6349.7 Ų49.724%0.23827%0.265CS..Hα-helixtrans-54.9-51.9176.8-79.9170.5176.3173-8.8112.1D8 I11 R43 E44 K49 V50 N51D8-R47 VanDerWaalsContact CG-NH2 3.3Å; D8-R47 IonicContact OD1-CZ 3.81Å; D8-R47 IonicContact OD1-NE 2.81Å; D8-R47 PolarHBondContact OD1-NE 3.1Å; D8-R47 IonicContact OD1-NH2 2.69Å; D8-R47 PolarHBondContact OD1-NH2 2.78Å; D8-R47 IonicContact OD2-CZ 3.57Å; D8-R47 IonicContact OD2-NH2 2.68Å; D8-R47 PolarHBondContact OD2-NH2 2.91Å; I11-R47 HydrophobicContact CD1-CG 3.91Å; I11-R47 HydrophobicContact CG2-CG 4.28Å; R43-R47 WeakPolarHBondContact O-CB 3.07Å; R43-R47 VanDerWaalsContact O-CG 3.27Å; R43-R47 WeakPolarHBondContact O-CG 3.27Å; R43-R47 PolarHBondContact O-N 3.03Å; E44-R47 WeakPolarHBondContact O-CB 3.31Å; E44-R47 PolarHBondContact O-N 2.82Å; E44-R47 IonicContact OE2-NH1 2.73Å; R47-K49 PolarHBondContact O-N 3.19Å; R47-V50 PolarHBondContact O-N 3.02Å; R47-N51 WeakPolarHBondContact O-CB 3.29Å; R47-N51 PolarHBondContact O-N 3.39Å; R47-N51 PolarHBondContact O-ND2 2.68Å
48V73.3Confident79.5Confident60 Ų6049.2 Ų49.236%0.36426%0.261SS..Hα-helixtrans-52.5-59175.6170.10000108.6E44 L46 V50 N51 F52E44-V48 VanDerWaalsContact O-CG2 3.32Å; E44-V48 WeakPolarHBondContact O-CG2 3.43Å; E44-V48 PolarHBondContact O-N 2.59Å; L46-V48 PolarHBondContact O-N 3.29Å; V48-V50 PolarHBondContact O-N 2.76Å; V48-N51 PolarHBondContact O-N 3.44Å; V48-F52 HydrophobicContact CG1-CD2 4.08Å; V48-F52 HydrophobicContact CG1-CE2 3.8Å; V48-F52 WeakPolarHBondContact O-CD2 3.32Å; V48-F52 VanDerWaalsContact O-CE2 3.3Å; V48-F52 WeakPolarHBondContact O-CE2 3.37Å; V48-F52 PolarHBondContact O-N 3Å
49K74.2Confident79.1Confident83 Ų8348 Ų4836%0.36125%0.252SS..Hα-helixtrans-67.2-35.7-172.9-66.8-77.2167.3164.80114.5C30 T45 L46 R47 F52 H53 F59C30-K49 HydrophobicContact CB-CD 4.39Å; C30-K49 HydrophobicContact CB-CG 3.83Å; C30-K49 WeakPolarHBondContact O-CD 3.41Å; C30-K49 WeakPolarHBondContact O-CE 3.42Å; C30-K49 PolarHBondContact O-NZ 3.11Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.09Å; T45-K49 VanDerWaalsContact O-N 3.08Å; L46-K49 PolarHBondContact O-N 2.98Å; R47-K49 PolarHBondContact O-N 3.19Å; K49-F52 PolarHBondContact O-N 3.4Å; K49-H53 PolarHBondContact O-N 3.4Å; K49-H53 VanDerWaalsContact O-N 3.14Å; K49-F59 HydrophobicContact CB-CE1 3.75Å; K49-F59 HydrophobicContact CB-CZ 3.91Å
50V73.8Confident78.9Confident4 Ų446.3 Ų46.32%0.02424%0.241CC..Hα-helixtrans-68.1-37.4177.9172.80000110.8I11 L46 R47 V48 F52 H53 P56 F59 L60I11-V50 HydrophobicContact CD1-CB 4.13Å; I11-V50 HydrophobicContact CD1-CG1 4.08Å; I11-V50 HydrophobicContact CD1-CG2 4.18Å; L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.35Å; L46-V50 PolarHBondContact O-N 3.38Å; R47-V50 PolarHBondContact O-N 3.02Å; V48-V50 PolarHBondContact O-N 2.76Å; V50-F52 PolarHBondContact O-N 3.36Å; V50-H53 PolarHBondContact O-N 3.17Å; V50-P56 HydrophobicContact CG1-CB 3.49Å; V50-P56 VanDerWaalsContact CG1-CB 3.49Å; V50-F59 HydrophobicContact CG2-CD1 3.96Å; V50-F59 HydrophobicContact CG2-CE1 4.39Å; V50-L60 HydrophobicContact CG1-CD1 4.34Å; V50-L60 HydrophobicContact CG2-CD1 3.86Å; V50-L60 HydrophobicContact CG2-CD2 3.59Å; V50-L60 HydrophobicContact CG2-CG 3.63Å
51N61.5Low78.9Confident87 Ų8742.3 Ų42.347%0.46522%0.216SC..Hα-helixtrans-64.2-23.2174.2-72.8-14.6000113.1R47 V48R47-N51 WeakPolarHBondContact O-CB 3.29Å; R47-N51 PolarHBondContact O-N 3.39Å; R47-N51 PolarHBondContact O-ND2 2.68Å; V48-N51 PolarHBondContact O-N 3.44Å
52F50.1Low78.9Confident112 Ų11241.5 Ų41.549%0.49121%0.211SC..THydrogen-bonded Turntrans-103.5-0.7-179.8-59.2-66.3000113.8V48 K49 V50 F248V48-F52 HydrophobicContact CG1-CD2 4.08Å; V48-F52 HydrophobicContact CG1-CE2 3.8Å; V48-F52 WeakPolarHBondContact O-CD2 3.32Å; V48-F52 VanDerWaalsContact O-CE2 3.3Å; V48-F52 WeakPolarHBondContact O-CE2 3.37Å; V48-F52 PolarHBondContact O-N 3Å; K49-F52 PolarHBondContact O-N 3.4Å; V50-F52 PolarHBondContact O-N 3.36Å; F52-F248 HydrophobicContact CE1-CE1 4.14Å; F52-F248 HydrophobicContact CE1-CZ 4.22Å
53H62Low78.9Confident40 Ų4041.7 Ų41.719%0.18521%0.212CC..  trans-94.9135.2-179.9-163.9-88000112.1K49 V50 D55 P56 F59K49-H53 PolarHBondContact O-N 3.4Å; K49-H53 VanDerWaalsContact O-N 3.14Å; V50-H53 PolarHBondContact O-N 3.17Å; H53-D55 VanDerWaalsContact C-N 3.27Å; H53-D55 PolarHBondContact CE1-O 3.4Å; H53-D55 VanDerWaalsContact ND1-C 3.26Å; H53-D55 PolarHBondContact ND1-N 2.98Å; H53-D55 VanDerWaalsContact ND1-N 3.12Å; H53-D55 PolarHBondContact ND1-O 2.91Å; H53-D55 PolarHBondContact O-N 2.85Å; H53-P56 WeakPolarHBondContact O-CD 3.37Å; H53-F59 HydrophobicContact CB-CB 4.08Å; H53-F59 HydrophobicContact CB-CG 4.2Å; H53-F59 AromaticContact CD2-CD2 3.32Å; H53-F59 WeakPolarHBondContact CD2-CD2 3.09Å; H53-F59 AromaticContact CD2-CG 3.76Å; H53-F59 AromaticContact CG-CD2 3.89Å; H53-F59 AromaticContact CG-CG 3.83Å; H53-F59 AromaticContact NE2-CD2 3.68Å
54P58.1Low78.9Confident102 Ų10239.1 Ų39.166%0.66220%0.202SC*.SBendtrans-65.3-26.5-177.525-35.3000114.2
55D76.8Confident79.2Confident54 Ų5438 Ų3829%0.28919%0.194SC..SBendtrans-127.486.8171.4-172.9-25.4000109.6H53 P57 L58 F59H53-D55 VanDerWaalsContact C-N 3.27Å; H53-D55 PolarHBondContact CE1-O 3.4Å; H53-D55 VanDerWaalsContact ND1-C 3.26Å; H53-D55 PolarHBondContact ND1-N 2.98Å; H53-D55 VanDerWaalsContact ND1-N 3.12Å; H53-D55 PolarHBondContact ND1-O 2.91Å; H53-D55 PolarHBondContact O-N 2.85Å; D55-P57 VanDerWaalsContact OD1-CD 3.25Å; D55-P57 WeakPolarHBondContact OD1-CD 3.37Å; D55-L58 HydrophobicContact CB-CB 3.8Å; D55-L58 HydrophobicContact CB-CD2 4.33Å; D55-L58 PolarHBondContact O-N 3.05Å; D55-L58 WeakPolarHBondContact OD1-CB 3.31Å; D55-L58 PolarHBondContact OD1-N 3.15Å; D55-L58 WeakPolarHBondContact OD2-CB 3.34Å; D55-F59 PolarHBondContact O-N 3.45Å
56P78.1Confident79.5Confident30 Ų3038.5 Ų38.520%0.19520%0.195CC..Hα-helixtrans-56.8-43.7-175.9-20.729.6000113.9V50 H53 L60V50-P56 HydrophobicContact CG1-CB 3.49Å; V50-P56 VanDerWaalsContact CG1-CB 3.49Å; H53-P56 WeakPolarHBondContact O-CD 3.37Å; P56-L60 PolarHBondContact O-N 3.36Å
57P84Confident79.8Confident28 Ų2839.3 Ų39.318%0.18220%0.199CC..Hα-helixtrans-56.6-49.1170.8-25.832.3000114.1Y7 D55 F59 L60 M61 Y77Y7-P57 HydrophobicContact CE1-CG 3.86Å; D55-P57 VanDerWaalsContact OD1-CD 3.25Å; D55-P57 WeakPolarHBondContact OD1-CD 3.37Å; P57-F59 VanDerWaalsContact C-N 3.31Å; P57-F59 PolarHBondContact O-N 3Å; P57-L60 PolarHBondContact O-N 2.88Å; P57-M61 WeakPolarHBondContact O-CB 3.24Å; P57-M61 WeakPolarHBondContact O-CG 3.13Å; P57-M61 PolarHBondContact O-N 3.16Å; P57-Y77 HydrophobicContact CB-CE1 4.03Å
58L83.6Confident80.1Confident6 Ų638.2 Ų38.23%0.03121%0.207CC..Hα-helixtrans-63.7-38.4-176.4-179.366.8000111.7D55 M61 C62 K87 Y91 V94D55-L58 HydrophobicContact CB-CB 3.8Å; D55-L58 HydrophobicContact CB-CD2 4.33Å; D55-L58 PolarHBondContact O-N 3.05Å; D55-L58 WeakPolarHBondContact OD1-CB 3.31Å; D55-L58 PolarHBondContact OD1-N 3.15Å; D55-L58 WeakPolarHBondContact OD2-CB 3.34Å; L58-M61 PolarHBondContact O-N 3.29Å; L58-C62 WeakPolarHBondContact O-CB 3.25Å; L58-C62 PolarHBondContact O-N 2.69Å; L58-C62 PolarHBondContact O-SG 3.09Å; L58-K87 HydrophobicContact CD1-CB 4.42Å; L58-Y91 HydrophobicContact CD1-CD2 4.31Å; L58-Y91 HydrophobicContact CD2-CD1 3.88Å; L58-Y91 HydrophobicContact CD2-CD2 3.39Å; L58-Y91 HydrophobicContact CD2-CE1 4.22Å; L58-Y91 HydrophobicContact CD2-CE2 3.8Å; L58-Y91 HydrophobicContact CD2-CG 3.45Å; L58-Y91 VanDerWaalsContact CD2-CG 3.45Å; L58-Y91 HydrophobicContact CG-CD2 4.49Å; L58-V94 HydrophobicContact CD2-CG2 3.96Å; L58-V94 HydrophobicContact CG-CG1 4.48Å; L58-V94 HydrophobicContact CG-CG2 4.23Å
59F86.2Confident81.1Confident13 Ų1337.2 Ų37.26%0.05720%0.197CC..Hα-helixtrans-59.7-52.2176-178.3-106.7000112.1K49 V50 H53 D55 P57 M61 C62 I63 V94 L95K49-F59 HydrophobicContact CB-CE1 3.75Å; K49-F59 HydrophobicContact CB-CZ 3.91Å; V50-F59 HydrophobicContact CG2-CD1 3.96Å; V50-F59 HydrophobicContact CG2-CE1 4.39Å; H53-F59 HydrophobicContact CB-CB 4.08Å; H53-F59 HydrophobicContact CB-CG 4.2Å; H53-F59 AromaticContact CD2-CD2 3.32Å; H53-F59 WeakPolarHBondContact CD2-CD2 3.09Å; H53-F59 AromaticContact CD2-CG 3.76Å; H53-F59 AromaticContact CG-CD2 3.89Å; H53-F59 AromaticContact CG-CG 3.83Å; H53-F59 AromaticContact NE2-CD2 3.68Å; D55-F59 PolarHBondContact O-N 3.45Å; P57-F59 VanDerWaalsContact C-N 3.31Å; P57-F59 PolarHBondContact O-N 3Å; F59-M61 VanDerWaalsContact C-N 3.29Å; F59-M61 PolarHBondContact O-N 2.71Å; F59-C62 WeakPolarHBondContact O-CB 3.46Å; F59-C62 PolarHBondContact O-N 2.91Å; F59-C62 VanDerWaalsContact O-N 3.11Å; F59-I63 HydrophobicContact CD1-CD1 4.02Å; F59-I63 HydrophobicContact CE1-CD1 3.46Å; F59-I63 VanDerWaalsContact CE1-CD1 3.46Å; F59-I63 HydrophobicContact CE1-CG1 4.43Å; F59-I63 HydrophobicContact CZ-CD1 3.74Å; F59-I63 HydrophobicContact CZ-CG1 4.48Å; F59-I63 PolarHBondContact O-N 3.42Å; F59-V94 HydrophobicContact CD2-CG1 4.27Å; F59-L95 HydrophobicContact CD2-CD2 3.96Å; F59-L95 HydrophobicContact CE2-CD2 3.58Å; F59-L95 HydrophobicContact CZ-CD2 4.3Å
60L89.8Confident82Confident2 Ų236.2 Ų36.21%0.0119%0.192CC..Hα-helixtrans-61.7-39.8178-72174.2000111.4I11 I14 L46 V50 P56 P57 C62 I63 L64 Y77I11-L60 HydrophobicContact CG1-CD1 3.96Å; I14-L60 HydrophobicContact CD1-CB 4.32Å; I14-L60 HydrophobicContact CD1-CD1 4.24Å; I14-L60 HydrophobicContact CD1-CD2 4.37Å; L46-L60 HydrophobicContact CB-CD2 4.49Å; L46-L60 HydrophobicContact CD1-CD2 4.26Å; L46-L60 HydrophobicContact CD2-CD2 3.93Å; L46-L60 HydrophobicContact CG-CD2 4.46Å; V50-L60 HydrophobicContact CG1-CD1 4.34Å; V50-L60 HydrophobicContact CG2-CD1 3.86Å; V50-L60 HydrophobicContact CG2-CD2 3.59Å; V50-L60 HydrophobicContact CG2-CG 3.63Å; P56-L60 PolarHBondContact O-N 3.36Å; P57-L60 PolarHBondContact O-N 2.88Å; L60-C62 VanDerWaalsContact C-N 3.33Å; L60-C62 PolarHBondContact O-N 3.35Å; L60-I63 PolarHBondContact O-N 2.97Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.47Å; L60-Y77 HydrophobicContact CB-CE2 4.29Å; L60-Y77 WeakPolarHBondContact CB-OH 3.28Å; L60-Y77 WeakPolarHBondContact CD1-OH 3.49Å
61M90.4Very high82.9Confident10 Ų1039.7 Ų39.75%0.04921%0.21CC..Hα-helixtrans-62.7-39.5174.7-70.4173.616200112.4P57 L58 F59 L64 R65 L73 Y77 V79 I84P57-M61 WeakPolarHBondContact O-CB 3.24Å; P57-M61 WeakPolarHBondContact O-CG 3.13Å; P57-M61 PolarHBondContact O-N 3.16Å; L58-M61 PolarHBondContact O-N 3.29Å; F59-M61 VanDerWaalsContact C-N 3.29Å; F59-M61 PolarHBondContact O-N 2.71Å; M61-L64 PolarHBondContact O-N 2.84Å; M61-R65 VanDerWaalsContact O-CB 3.27Å; M61-R65 WeakPolarHBondContact O-CB 3.47Å; M61-R65 PolarHBondContact O-N 3.12Å; M61-L73 HydrophobicContact CB-CD2 3.77Å; M61-L73 HydrophobicContact CG-CD2 3.75Å; M61-Y77 HydrophobicContact CE-CD1 3.55Å; M61-Y77 HydrophobicContact CE-CD2 4.26Å; M61-Y77 HydrophobicContact CE-CE1 4.43Å; M61-Y77 HydrophobicContact CE-CG 3.44Å; M61-Y77 VanDerWaalsContact CE-CG 3.44Å; M61-Y77 HydrophobicContact CG-CD1 4.28Å; M61-Y77 HydrophobicContact CG-CD2 3.86Å; M61-Y77 HydrophobicContact CG-CE1 4.49Å; M61-Y77 HydrophobicContact CG-CE2 4.09Å; M61-Y77 HydrophobicContact CG-CG 3.96Å; M61-V79 HydrophobicContact CE-CB 4.06Å; M61-V79 HydrophobicContact CE-CG2 3.45Å; M61-V79 VanDerWaalsContact CE-CG2 3.45Å; M61-I84 HydrophobicContact CB-CD1 3.58Å; M61-I84 HydrophobicContact CB-CG1 4.43Å; M61-I84 HydrophobicContact CG-CD1 4.21Å; M61-I84 HydrophobicContact SD-CD1 3.78Å
62C88.6Confident84.5Confident6 Ų635.5 Ų35.54%0.04119%0.188CC..Hα-helixtrans-66.2-39.7177.9-71.40000111.9L58 F59 L60 R65 Q66 V94 L95L58-C62 WeakPolarHBondContact O-CB 3.25Å; L58-C62 PolarHBondContact O-N 2.69Å; L58-C62 PolarHBondContact O-SG 3.09Å; F59-C62 WeakPolarHBondContact O-CB 3.46Å; F59-C62 PolarHBondContact O-N 2.91Å; F59-C62 VanDerWaalsContact O-N 3.11Å; L60-C62 VanDerWaalsContact C-N 3.33Å; L60-C62 PolarHBondContact O-N 3.35Å; C62-R65 PolarHBondContact O-N 2.68Å; C62-Q66 WeakPolarHBondContact O-CB 3.33Å; C62-Q66 PolarHBondContact O-N 2.98Å; C62-V94 HydrophobicContact CB-CB 4.22Å; C62-V94 HydrophobicContact CB-CG1 3.86Å; C62-V94 VanDerWaalsContact SG-CG1 3.58Å; C62-L95 HydrophobicContact CB-CD1 4.07Å; C62-L95 HydrophobicContact CB-CD2 4.5Å; C62-L95 HydrophobicContact CB-CG 4.03Å
63I91.4Very high86.5Confident4 Ų430.2 Ų30.22%0.02116%0.164CC..Hα-helixtrans-59.6-53.2172.1-67.6178.2000109.6A26 L29 L46 F59 L60 R65 Q66 L67 L95A26-I63 HydrophobicContact CB-CG2 4.04Å; L29-I63 HydrophobicContact CD1-CG2 4.41Å; L46-I63 HydrophobicContact CD2-CD1 3.65Å; F59-I63 HydrophobicContact CD1-CD1 4.02Å; F59-I63 HydrophobicContact CE1-CD1 3.46Å; F59-I63 VanDerWaalsContact CE1-CD1 3.46Å; F59-I63 HydrophobicContact CE1-CG1 4.43Å; F59-I63 HydrophobicContact CZ-CD1 3.74Å; F59-I63 HydrophobicContact CZ-CG1 4.48Å; F59-I63 PolarHBondContact O-N 3.42Å; L60-I63 PolarHBondContact O-N 2.97Å; I63-R65 VanDerWaalsContact C-N 3.26Å; I63-R65 PolarHBondContact O-N 2.85Å; I63-Q66 WeakPolarHBondContact O-CB 3.4Å; I63-Q66 PolarHBondContact O-N 3.38Å; I63-Q66 VanDerWaalsContact O-N 3.07Å; I63-L67 HydrophobicContact CG2-CD1 3.72Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 VanDerWaalsContact O-CG 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.31Å; I63-L67 PolarHBondContact O-N 2.96Å; I63-L95 HydrophobicContact CG1-CD1 4.47Å; I63-L95 HydrophobicContact CG1-CD2 3.86Å
64L93.9Very high87.9Confident1 Ų135.4 Ų35.41%0.00519%0.186CC..Hα-helixtrans-60.4-37-178.9-67.8173.7000112.6I14 L18 L60 M61 L67 G68 R69 I72 L73 Y77I14-L64 HydrophobicContact CD1-CD1 4.12Å; I14-L64 HydrophobicContact CG1-CD1 4.28Å; I14-L64 HydrophobicContact CG2-CD2 3.98Å; L18-L64 HydrophobicContact CD2-CD2 4.12Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.47Å; M61-L64 PolarHBondContact O-N 2.84Å; L64-L67 CarbonylContact O-C 3.52Å; L64-L67 PolarHBondContact O-N 3.41Å; L64-G68 PolarHBondContact O-N 3.5Å; L64-G68 VanDerWaalsContact O-N 3.1Å; L64-R69 HydrophobicContact CD2-CB 4.21Å; L64-R69 PolarHBondContact O-N 3Å; L64-I72 HydrophobicContact CD1-CB 4.26Å; L64-I72 HydrophobicContact CD1-CG2 3.82Å; L64-I72 HydrophobicContact CD2-CB 4.08Å; L64-I72 HydrophobicContact CD2-CD1 4.02Å; L64-I72 HydrophobicContact CD2-CG2 3.95Å; L64-L73 HydrophobicContact CB-CD1 4.15Å; L64-L73 HydrophobicContact CB-CD2 3.85Å; L64-L73 HydrophobicContact CB-CG 3.7Å; L64-L73 HydrophobicContact CD1-CD2 3.83Å; L64-L73 HydrophobicContact CD1-CG 4.05Å; L64-L73 HydrophobicContact CG-CD2 4.49Å; L64-Y77 HydrophobicContact CD1-CD2 4.34Å; L64-Y77 HydrophobicContact CD1-CE2 4.09Å
65R91.6Very high89.6Confident71 Ų7135.7 Ų35.727%0.26817%0.174SC..Hα-helixtrans-65.4-43.5174.5-178.6-96.5-169.91720.2111.3M61 C62 I63 L67 G68 Y70 L73 I84 E85 I88M61-R65 VanDerWaalsContact O-CB 3.27Å; M61-R65 WeakPolarHBondContact O-CB 3.47Å; M61-R65 PolarHBondContact O-N 3.12Å; C62-R65 PolarHBondContact O-N 2.68Å; I63-R65 VanDerWaalsContact C-N 3.26Å; I63-R65 PolarHBondContact O-N 2.85Å; R65-L67 VanDerWaalsContact C-N 3.26Å; R65-L67 PolarHBondContact O-N 3.15Å; R65-G68 PolarHBondContact O-N 3.02Å; R65-Y70 HydrophobicContact CG-CE1 4.22Å; R65-L73 HydrophobicContact CB-CD1 4.31Å; R65-I84 HydrophobicContact CB-CG1 4.43Å; R65-I84 HydrophobicContact CG-CG2 4.47Å; R65-E85 IonicContact CZ-OE1 3.35Å; R65-E85 IonicContact CZ-OE2 2.92Å; R65-E85 IonicContact NE-OE1 3.92Å; R65-E85 PolarHBondContact NE-OE1 2.85Å; R65-E85 IonicContact NE-OE2 3.57Å; R65-E85 IonicContact NH2-OE1 2.74Å; R65-E85 PolarHBondContact NH2-OE1 2.81Å; R65-E85 VanDerWaalsContact NH2-OE1 3.13Å; R65-E85 IonicContact NH2-OE2 3.97Å; R65-E85 PolarHBondContact NH2-OE2 3.28Å; R65-I88 HydrophobicContact CB-CD1 4.22Å; R65-I88 HydrophobicContact CG-CD1 3.78Å
66Q90.5Very high90.3Very high31 Ų3134.3 Ų34.315%0.14517%0.168CC..Hα-helixtrans-64-32.9175.6-171.360.229.800112.3L29 C62 I63 G68 L95 T104L29-Q66 HydrophobicContact CD1-CB 3.91Å; L29-Q66 HydrophobicContact CD1-CG 3.67Å; L29-Q66 HydrophobicContact CD2-CG 3.91Å; L29-Q66 HydrophobicContact CG-CG 4.46Å; C62-Q66 WeakPolarHBondContact O-CB 3.33Å; C62-Q66 PolarHBondContact O-N 2.98Å; I63-Q66 WeakPolarHBondContact O-CB 3.4Å; I63-Q66 PolarHBondContact O-N 3.38Å; I63-Q66 VanDerWaalsContact O-N 3.07Å; Q66-G68 VanDerWaalsContact C-N 3.28Å; Q66-L95 HydrophobicContact CB-CD1 4.16Å; Q66-T104 PolarHBondContact NE2-OG1 2.92Å
67L93.5Very high90.8Very high18 Ų1834 Ų349%0.09416%0.163CC..THydrogen-bonded Turntrans-79.9-6.8174.7-60.2172.5000113.4L18 D22 K25 A26 L29 I63 L64 R65 R69L18-L67 HydrophobicContact CD1-CD1 4.22Å; L18-L67 HydrophobicContact CD2-CD1 3.85Å; D22-L67 HydrophobicContact CB-CD1 4.33Å; D22-L67 HydrophobicContact CB-CD2 4.48Å; K25-L67 HydrophobicContact CB-CD2 3.34Å; K25-L67 HydrophobicContact CD-CD2 3.96Å; K25-L67 HydrophobicContact CG-CD2 4.31Å; A26-L67 HydrophobicContact CB-CD1 4.12Å; L29-L67 HydrophobicContact CD1-CD2 4.29Å; I63-L67 HydrophobicContact CG2-CD1 3.72Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 VanDerWaalsContact O-CG 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.31Å; I63-L67 PolarHBondContact O-N 2.96Å; L64-L67 CarbonylContact O-C 3.52Å; L64-L67 PolarHBondContact O-N 3.41Å; R65-L67 VanDerWaalsContact C-N 3.26Å; R65-L67 PolarHBondContact O-N 3.15Å; L67-R69 HydrophobicContact CB-CG 4.01Å; L67-R69 PolarHBondContact O-N 3.12Å
68G91.3Very high91.1Very high40 Ų4040.2 Ų40.241%0.41219%0.187SC..THydrogen-bonded Turntrans69.614.2-174.600000114.8L64 R65 Q66 Y70L64-G68 PolarHBondContact O-N 3.5Å; L64-G68 VanDerWaalsContact O-N 3.1Å; R65-G68 PolarHBondContact O-N 3.02Å; Q66-G68 VanDerWaalsContact C-N 3.28Å; G68-Y70 VanDerWaalsContact C-N 3.27Å; G68-Y70 VanDerWaalsContact O-CD2 3.25Å; G68-Y70 WeakPolarHBondContact O-CD2 3.45Å; G68-Y70 PolarHBondContact O-N 3Å
69R94.1Very high91.4Very high40 Ų4040.4 Ų40.415%0.15119%0.188CC..  trans-8661.5-176.7-65.1-57.8-58.1-86.3-1.9112.5D17 L18 D22 L64 L67 D71 I72 L73D17-R69 PolarHBondContact O-NH1 2.91Å; D17-R69 PolarHBondContact O-NH2 3.43Å; L18-R69 HydrophobicContact CD2-CG 4.08Å; D22-R69 IonicContact OD2-CZ 2.87Å; D22-R69 IonicContact OD2-NH1 3.86Å; D22-R69 PolarHBondContact OD2-NH1 3.07Å; L64-R69 HydrophobicContact CD2-CB 4.21Å; L64-R69 PolarHBondContact O-N 3Å; L67-R69 HydrophobicContact CB-CG 4.01Å; L67-R69 PolarHBondContact O-N 3.12Å; R69-D71 VanDerWaalsContact C-OD1 3.27Å; R69-D71 VanDerWaalsContact CA-OD1 3.3Å; R69-D71 WeakPolarHBondContact CA-OD1 3.16Å; R69-D71 IonicContact CZ-OD1 3.41Å; R69-D71 IonicContact CZ-OD2 2.95Å; R69-D71 IonicContact NE-OD1 2.96Å; R69-D71 PolarHBondContact NE-OD1 3.31Å; R69-D71 IonicContact NE-OD2 2.84Å; R69-D71 PolarHBondContact NE-OD2 3.11Å; R69-D71 IonicContact NH2-OD1 3.99Å; R69-D71 IonicContact NH2-OD2 3.14Å; R69-D71 PolarHBondContact NH2-OD2 2.87Å; R69-D71 PolarHBondContact O-N 2.76Å; R69-I72 HydrophobicContact CB-CB 4.36Å; R69-I72 HydrophobicContact CB-CD1 3.93Å; R69-I72 HydrophobicContact CB-CG1 4.03Å; R69-I72 HydrophobicContact CG-CD1 4.24Å; R69-I72 PolarHBondContact O-N 3.21Å; R69-L73 PolarHBondContact O-N 3.19Å
70Y92.9Very high91.4Very high62 Ų6243.3 Ų43.324%0.24321%0.205CC..Hα-helixtrans-67.2-22.2177.6-60.1-79.1000113.2R65 G68 L73 K74 R81 I84R65-Y70 HydrophobicContact CG-CE1 4.22Å; G68-Y70 VanDerWaalsContact C-N 3.27Å; G68-Y70 VanDerWaalsContact O-CD2 3.25Å; G68-Y70 WeakPolarHBondContact O-CD2 3.45Å; G68-Y70 PolarHBondContact O-N 3Å; Y70-L73 HydrophobicContact CD1-CD1 3.74Å; Y70-L73 HydrophobicContact CE1-CD1 4.24Å; Y70-L73 HydrophobicContact CG-CD1 4.5Å; Y70-K74 WeakPolarHBondContact O-CB 3.45Å; Y70-K74 PolarHBondContact O-N 3.09Å; Y70-R81 HydrophobicContact CD1-CB 3.96Å; Y70-R81 HydrophobicContact CD1-CG 4.09Å; Y70-R81 HydrophobicContact CE1-CB 4.06Å; Y70-R81 HydrophobicContact CE1-CG 3.68Å; Y70-I84 HydrophobicContact CE1-CG2 4.23Å
71D93.2Very high91.2Very high76 Ų7650.5 Ų50.541%0.40623%0.231SC..Hα-helixtrans-60.8-46.2170.562.5-51.9000111.3R69 R75R69-D71 VanDerWaalsContact C-OD1 3.27Å; R69-D71 VanDerWaalsContact CA-OD1 3.3Å; R69-D71 WeakPolarHBondContact CA-OD1 3.16Å; R69-D71 IonicContact CZ-OD1 3.41Å; R69-D71 IonicContact CZ-OD2 2.95Å; R69-D71 IonicContact NE-OD1 2.96Å; R69-D71 PolarHBondContact NE-OD1 3.31Å; R69-D71 IonicContact NE-OD2 2.84Å; R69-D71 PolarHBondContact NE-OD2 3.11Å; R69-D71 IonicContact NH2-OD1 3.99Å; R69-D71 IonicContact NH2-OD2 3.14Å; R69-D71 PolarHBondContact NH2-OD2 2.87Å; R69-D71 PolarHBondContact O-N 2.76Å; D71-R75 WeakPolarHBondContact O-CB 3.45Å; D71-R75 PolarHBondContact O-N 2.85Å
72I94Very high91Very high0 Ų055.3 Ų55.30%026%0.257CS..Hα-helixtrans-68.8-43.9177.4-53.5-176000110.1I14 D17 L18 L64 R69 K74 R75 V76I14-I72 HydrophobicContact CG1-CG2 4.02Å; D17-I72 HydrophobicContact CB-CD1 3.74Å; D17-I72 HydrophobicContact CB-CG1 4.21Å; L18-I72 HydrophobicContact CD2-CD1 3.66Å; L18-I72 HydrophobicContact CG-CD1 4.36Å; L64-I72 HydrophobicContact CD1-CB 4.26Å; L64-I72 HydrophobicContact CD1-CG2 3.82Å; L64-I72 HydrophobicContact CD2-CB 4.08Å; L64-I72 HydrophobicContact CD2-CD1 4.02Å; L64-I72 HydrophobicContact CD2-CG2 3.95Å; R69-I72 HydrophobicContact CB-CB 4.36Å; R69-I72 HydrophobicContact CB-CD1 3.93Å; R69-I72 HydrophobicContact CB-CG1 4.03Å; R69-I72 HydrophobicContact CG-CD1 4.24Å; R69-I72 PolarHBondContact O-N 3.21Å; I72-K74 VanDerWaalsContact C-N 3.32Å; I72-K74 PolarHBondContact O-N 2.99Å; I72-R75 PolarHBondContact O-N 2.82Å; I72-R75 VanDerWaalsContact O-N 3.15Å; I72-V76 HydrophobicContact CG2-CB 4.49Å; I72-V76 HydrophobicContact CG2-CG2 3.71Å; I72-V76 WeakPolarHBondContact O-CB 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 3.49Å
73L92.2Very high90.8Very high1 Ų159.4 Ų59.41%0.00528%0.276CS..Iπ-helixtrans-54-48.5176.3-77.7168.8000111.9M61 L64 R65 R69 Y70 R75 Y77 K78M61-L73 HydrophobicContact CB-CD2 3.77Å; M61-L73 HydrophobicContact CG-CD2 3.75Å; L64-L73 HydrophobicContact CB-CD1 4.15Å; L64-L73 HydrophobicContact CB-CD2 3.85Å; L64-L73 HydrophobicContact CB-CG 3.7Å; L64-L73 HydrophobicContact CD1-CD2 3.83Å; L64-L73 HydrophobicContact CD1-CG 4.05Å; L64-L73 HydrophobicContact CG-CD2 4.49Å; R65-L73 HydrophobicContact CB-CD1 4.31Å; R69-L73 PolarHBondContact O-N 3.19Å; Y70-L73 HydrophobicContact CD1-CD1 3.74Å; Y70-L73 HydrophobicContact CE1-CD1 4.24Å; Y70-L73 HydrophobicContact CG-CD1 4.5Å; L73-R75 PolarHBondContact O-N 2.8Å; L73-Y77 HydrophobicContact CD2-CD2 4.23Å; L73-Y77 WeakPolarHBondContact O-CA 3.19Å; L73-Y77 WeakPolarHBondContact O-CB 3.43Å; L73-Y77 PolarHBondContact O-N 3.13Å; L73-K78 PolarHBondContact O-N 3.15Å
74K92.2Very high90.3Very high148 Ų14859.2 Ų59.264%0.64328%0.275SS*.Iπ-helixtrans-66.1-37.5178.9-172.2175.8-178.41780112.1Y70 I72 K78 V79Y70-K74 WeakPolarHBondContact O-CB 3.45Å; Y70-K74 PolarHBondContact O-N 3.09Å; I72-K74 VanDerWaalsContact C-N 3.32Å; I72-K74 PolarHBondContact O-N 2.99Å; K74-K78 VanDerWaalsContact O-CA 3.3Å; K74-K78 WeakPolarHBondContact O-CA 2.88Å; K74-K78 WeakPolarHBondContact O-CD 3.41Å; K74-K78 PolarHBondContact O-N 3.13Å; K74-V79 WeakPolarHBondContact CA-O 3.29Å; K74-V79 PolarHBondContact N-O 2.86Å
75R92.9Very high89.8Confident109 Ų10961.7 Ų61.741%0.41129%0.286SS..Iπ-helixtrans-72.2-50.4-179.9-178.1174.858.7-121.6-15.8112.3D17 D71 I72 L73 K78D17-R75 IonicContact OD1-CZ 3.51Å; D17-R75 IonicContact OD1-NH2 3.13Å; D17-R75 IonicContact OD2-CZ 2.75Å; D17-R75 IonicContact OD2-NE 3.07Å; D17-R75 PolarHBondContact OD2-NE 2.82Å; D17-R75 IonicContact OD2-NH2 3.43Å; D17-R75 PolarHBondContact OD2-NH2 2.86Å; D71-R75 WeakPolarHBondContact O-CB 3.45Å; D71-R75 PolarHBondContact O-N 2.85Å; I72-R75 PolarHBondContact O-N 2.82Å; I72-R75 VanDerWaalsContact O-N 3.15Å; L73-R75 PolarHBondContact O-N 2.8Å; R75-K78 WeakPolarHBondContact O-CE 3.35Å; R75-K78 PolarHBondContact O-NZ 3Å
76V91.3Very high89.3Confident25 Ų2565.6 Ų65.615%0.15231%0.305CS..Iπ-helixtrans-84.7-43-169.6178.50000112.2R10 I14 I72R10-V76 HydrophobicContact CB-CG1 4.03Å; R10-V76 HydrophobicContact CG-CG1 3.72Å; I14-V76 HydrophobicContact CG1-CG2 4.46Å; I72-V76 HydrophobicContact CG2-CB 4.49Å; I72-V76 HydrophobicContact CG2-CG2 3.71Å; I72-V76 WeakPolarHBondContact O-CB 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 3.49Å
77Y88.7Confident88.5Confident23 Ų2368.7 Ų68.79%0.0932%0.319CS..Iπ-helixtrans-106.9-8.7-175-69-75.3000114.2I14 P57 L60 M61 L64 L73 V79I14-Y77 HydrophobicContact CD1-CE2 4.1Å; P57-Y77 HydrophobicContact CB-CE1 4.03Å; L60-Y77 HydrophobicContact CB-CE2 4.29Å; L60-Y77 WeakPolarHBondContact CB-OH 3.28Å; L60-Y77 WeakPolarHBondContact CD1-OH 3.49Å; M61-Y77 HydrophobicContact CE-CD1 3.55Å; M61-Y77 HydrophobicContact CE-CD2 4.26Å; M61-Y77 HydrophobicContact CE-CE1 4.43Å; M61-Y77 HydrophobicContact CE-CG 3.44Å; M61-Y77 VanDerWaalsContact CE-CG 3.44Å; M61-Y77 HydrophobicContact CG-CD1 4.28Å; M61-Y77 HydrophobicContact CG-CD2 3.86Å; M61-Y77 HydrophobicContact CG-CE1 4.49Å; M61-Y77 HydrophobicContact CG-CE2 4.09Å; M61-Y77 HydrophobicContact CG-CG 3.96Å; L64-Y77 HydrophobicContact CD1-CD2 4.34Å; L64-Y77 HydrophobicContact CD1-CE2 4.09Å; L73-Y77 HydrophobicContact CD2-CD2 4.23Å; L73-Y77 WeakPolarHBondContact O-CA 3.19Å; L73-Y77 WeakPolarHBondContact O-CB 3.43Å; L73-Y77 PolarHBondContact O-N 3.13Å; Y77-V79 WeakPolarHBondContact O-CG2 3.44Å; Y77-V79 PolarHBondContact O-N 3.02Å
78K91.1Very high87.3Confident158 Ų15869.1 Ų69.169%0.68732%0.32SS*.  trans58.227.1-175.9-48.2-53.1-171.6-164.80113.2L73 K74 R75L73-K78 PolarHBondContact O-N 3.15Å; K74-K78 VanDerWaalsContact O-CA 3.3Å; K74-K78 WeakPolarHBondContact O-CA 2.88Å; K74-K78 WeakPolarHBondContact O-CD 3.41Å; K74-K78 PolarHBondContact O-N 3.13Å; R75-K78 WeakPolarHBondContact O-CE 3.35Å; R75-K78 PolarHBondContact O-NZ 3Å
79V88.9Confident86.1Confident11 Ų1174.7 Ų74.77%0.06734%0.336CS..  trans-108138.9179.3176.50000109.8M61 K74 Y77 E83 I84M61-V79 HydrophobicContact CE-CB 4.06Å; M61-V79 HydrophobicContact CE-CG2 3.45Å; M61-V79 VanDerWaalsContact CE-CG2 3.45Å; K74-V79 WeakPolarHBondContact CA-O 3.29Å; K74-V79 PolarHBondContact N-O 2.86Å; Y77-V79 WeakPolarHBondContact O-CG2 3.44Å; Y77-V79 PolarHBondContact O-N 3.02Å; V79-E83 WeakPolarHBondContact CA-OE2 3.32Å; V79-E83 HydrophobicContact CG1-CB 3.6Å; V79-I84 HydrophobicContact CG1-CB 4.05Å
80D86.4Confident84.5Confident74 Ų7477.9 Ų77.940%0.39636%0.36SS..  trans-94.4174.7175.677.533.4000113.5N82 E83 I84D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 3.45Å; D80-N82 WeakPolarHBondContact OD1-CA 3.19Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 3.49Å; D80-E83 PolarHBondContact N-OE2 2.78Å; D80-E83 PolarHBondContact O-N 3.38Å; D80-E83 PolarHBondContact OD1-N 2.83Å; D80-I84 WeakPolarHBondContact O-CG2 3.2Å; D80-I84 PolarHBondContact O-N 3.17Å; D80-I84 VanDerWaalsContact O-N 3.09Å
81R86.9Confident82.8Confident152 Ų15280.3 Ų80.357%0.57437%0.37SS*.Hα-helixtrans-59.4-38.1-178.4-177.4173-177.6-1750.7112.8Y70 I84 E85Y70-R81 HydrophobicContact CD1-CB 3.96Å; Y70-R81 HydrophobicContact CD1-CG 4.09Å; Y70-R81 HydrophobicContact CE1-CB 4.06Å; Y70-R81 HydrophobicContact CE1-CG 3.68Å; R81-I84 VanDerWaalsContact O-CG2 3.25Å; R81-I84 WeakPolarHBondContact O-CG2 3.46Å; R81-E85 VanDerWaalsContact O-CG 3.23Å; R81-E85 WeakPolarHBondContact O-CG 3.33Å; R81-E85 PolarHBondContact O-N 2.92Å
82N85.7Confident80.9Confident111 Ų11186.2 Ų86.259%0.59439%0.391SS*.Hα-helixtrans-76-37.5-175.5-66.2-26.9000111.1D80 K86D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 3.45Å; D80-N82 WeakPolarHBondContact OD1-CA 3.19Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 3.49Å; N82-K86 WeakPolarHBondContact O-CG 3.3Å; N82-K86 PolarHBondContact O-N 3.43Å
83E83.6Confident79.6Confident93 Ų9392 Ų9244%0.43542%0.418SS..Hα-helixtrans-65.7-41.9175.9-70.8-179.7160.800112.1V79 D80 K86 K87V79-E83 WeakPolarHBondContact CA-OE2 3.32Å; V79-E83 HydrophobicContact CG1-CB 3.6Å; D80-E83 PolarHBondContact N-OE2 2.78Å; D80-E83 PolarHBondContact O-N 3.38Å; D80-E83 PolarHBondContact OD1-N 2.83Å; E83-K86 PolarHBondContact O-N 2.94Å; E83-K87 PolarHBondContact O-N 2.91Å
84I82.1Confident78.8Confident0 Ų093 Ų930%043%0.425CS..Hα-helixtrans-68.9-39.9178.8-168.756.8000112.1M61 R65 Y70 V79 D80 R81 K86 K87 I88M61-I84 HydrophobicContact CB-CD1 3.58Å; M61-I84 HydrophobicContact CB-CG1 4.43Å; M61-I84 HydrophobicContact CG-CD1 4.21Å; M61-I84 HydrophobicContact SD-CD1 3.78Å; R65-I84 HydrophobicContact CB-CG1 4.43Å; R65-I84 HydrophobicContact CG-CG2 4.47Å; Y70-I84 HydrophobicContact CE1-CG2 4.23Å; V79-I84 HydrophobicContact CG1-CB 4.05Å; D80-I84 WeakPolarHBondContact O-CG2 3.2Å; D80-I84 PolarHBondContact O-N 3.17Å; D80-I84 VanDerWaalsContact O-N 3.09Å; R81-I84 VanDerWaalsContact O-CG2 3.25Å; R81-I84 WeakPolarHBondContact O-CG2 3.46Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 2.9Å; I84-K87 HydrophobicContact CD1-CB 4.44Å; I84-K87 PolarHBondContact O-N 3.19Å; I84-I88 HydrophobicContact CD1-CD1 4.24Å; I84-I88 HydrophobicContact CD1-CG1 4.22Å; I84-I88 HydrophobicContact CG1-CD1 3.82Å; I84-I88 HydrophobicContact CG1-CG1 4.26Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I84-I88 PolarHBondContact O-N 2.7Å
85E81.9Confident78.3Confident52 Ų5286.9 Ų86.924%0.24340%0.399CS..Hα-helixtrans-62.2-39.4176.5-70-64.6159.100111.3R65 R81 I88 Q89R65-E85 IonicContact CZ-OE1 3.35Å; R65-E85 IonicContact CZ-OE2 2.92Å; R65-E85 IonicContact NE-OE1 3.92Å; R65-E85 PolarHBondContact NE-OE1 2.85Å; R65-E85 IonicContact NE-OE2 3.57Å; R65-E85 IonicContact NH2-OE1 2.74Å; R65-E85 PolarHBondContact NH2-OE1 2.81Å; R65-E85 VanDerWaalsContact NH2-OE1 3.13Å; R65-E85 IonicContact NH2-OE2 3.97Å; R65-E85 PolarHBondContact NH2-OE2 3.28Å; R81-E85 VanDerWaalsContact O-CG 3.23Å; R81-E85 WeakPolarHBondContact O-CG 3.33Å; R81-E85 PolarHBondContact O-N 2.92Å; E85-I88 PolarHBondContact O-N 2.75Å; E85-Q89 WeakPolarHBondContact O-CB 3.38Å; E85-Q89 PolarHBondContact O-N 3.49Å
86K81.1Confident77.8Confident153 Ų15384.8 Ų84.867%0.66540%0.399SS*.Hα-helixtrans-63.7-43173.4-73.3175-178.3178.10112.7N82 E83 I84 Q89 T90N82-K86 WeakPolarHBondContact O-CG 3.3Å; N82-K86 PolarHBondContact O-N 3.43Å; E83-K86 PolarHBondContact O-N 2.94Å; I84-K86 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 2.9Å; K86-Q89 PolarHBondContact O-N 3.17Å; K86-T90 PolarHBondContact O-OG1 3.02Å
87K73.5Confident77.5Confident97 Ų9788.2 Ų88.242%0.42241%0.409SS..Hα-helixtrans-61.6-48.9175.4-76.5-175.9175.2-175.40110.6L58 E83 I84 Q89 T90 Y91L58-K87 HydrophobicContact CD1-CB 4.42Å; E83-K87 PolarHBondContact O-N 2.91Å; I84-K87 HydrophobicContact CD1-CB 4.44Å; I84-K87 PolarHBondContact O-N 3.19Å; K87-Q89 VanDerWaalsContact C-N 3.33Å; K87-Q89 PolarHBondContact O-N 2.96Å; K87-T90 VanDerWaalsContact O-CB 3.28Å; K87-T90 WeakPolarHBondContact O-CB 3.36Å; K87-T90 PolarHBondContact O-N 3.18Å; K87-Y91 VanDerWaalsContact O-CD2 3.23Å; K87-Y91 WeakPolarHBondContact O-CD2 3.45Å; K87-Y91 PolarHBondContact O-N 2.9Å
88I69.4Low77.5Confident26 Ų2687.3 Ų87.313%0.13341%0.406CS..Hα-helixtrans-62.6-37.3-179.7-67.8172.2000112.1R65 I84 E85 T90 Y91R65-I88 HydrophobicContact CB-CD1 4.22Å; R65-I88 HydrophobicContact CG-CD1 3.78Å; I84-I88 HydrophobicContact CD1-CD1 4.24Å; I84-I88 HydrophobicContact CD1-CG1 4.22Å; I84-I88 HydrophobicContact CG1-CD1 3.82Å; I84-I88 HydrophobicContact CG1-CG1 4.26Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I84-I88 PolarHBondContact O-N 2.7Å; E85-I88 PolarHBondContact O-N 2.75Å; I88-T90 PolarHBondContact O-N 3.28Å; I88-T90 VanDerWaalsContact O-N 3.08Å; I88-Y91 CarbonylContact O-C 3.59Å; I88-Y91 VanDerWaalsContact O-C 3.29Å; I88-Y91 PolarHBondContact O-N 3.18Å
89Q65.2Low77.6Confident157 Ų15781.2 Ų81.273%0.73438%0.379SS*.Hα-helixtrans-56.8-28.4175.9-157.784.536.500112.7E85 K86 K87E85-Q89 WeakPolarHBondContact O-CB 3.38Å; E85-Q89 PolarHBondContact O-N 3.49Å; K86-Q89 PolarHBondContact O-N 3.17Å; K87-Q89 VanDerWaalsContact C-N 3.33Å; K87-Q89 PolarHBondContact O-N 2.96Å
90T60.3Low77.7Confident107 Ų10782.4 Ų82.466%0.65639%0.386SS*.Hα-helixtrans-80.5-30.7179.4-49.70000111.6K86 K87 I88K86-T90 PolarHBondContact O-OG1 3.02Å; K87-T90 VanDerWaalsContact O-CB 3.28Å; K87-T90 WeakPolarHBondContact O-CB 3.36Å; K87-T90 PolarHBondContact O-N 3.18Å; I88-T90 PolarHBondContact O-N 3.28Å; I88-T90 VanDerWaalsContact O-N 3.08Å
91Y57.4Low78.1Confident114 Ų11479.5 Ų79.545%0.44737%0.37SS..SBendtrans-110.388.2-179-61.5-83.7000110.1L58 K87 I88 Q93L58-Y91 HydrophobicContact CD1-CD2 4.31Å; L58-Y91 HydrophobicContact CD2-CD1 3.88Å; L58-Y91 HydrophobicContact CD2-CD2 3.39Å; L58-Y91 HydrophobicContact CD2-CE1 4.22Å; L58-Y91 HydrophobicContact CD2-CE2 3.8Å; L58-Y91 HydrophobicContact CD2-CG 3.45Å; L58-Y91 VanDerWaalsContact CD2-CG 3.45Å; L58-Y91 HydrophobicContact CG-CD2 4.49Å; K87-Y91 VanDerWaalsContact O-CD2 3.23Å; K87-Y91 WeakPolarHBondContact O-CD2 3.45Å; K87-Y91 PolarHBondContact O-N 2.9Å; I88-Y91 CarbonylContact O-C 3.59Å; I88-Y91 VanDerWaalsContact O-C 3.29Å; I88-Y91 PolarHBondContact O-N 3.18Å; Y91-Q93 PolarHBondContact O-N 3.17Å
92K55.1Low78.5Confident199 Ų19972.2 Ų72.287%0.86534%0.343SS*.SBendtrans-58.4-21.3-167.3-89.3-176.3173.6-179.60115.7
93Q66.2Low79Confident121 Ų12167 Ų6757%0.56532%0.315SS*.  trans-15385.8-175.9-67.5-178.5-22.300111.9Y91 E184Y91-Q93 PolarHBondContact O-N 3.17Å; Q93-E184 PolarHBondContact NE2-OE1 3.48Å; Q93-E184 VanDerWaalsContact NE2-OE1 3.09Å
94V75Confident79.5Confident23 Ų2364.8 Ų64.814%0.13931%0.308CS..SBendtrans-93.5-31.2177.8-178.50000112.5L58 F59 C62L58-V94 HydrophobicContact CD2-CG2 3.96Å; L58-V94 HydrophobicContact CG-CG1 4.48Å; L58-V94 HydrophobicContact CG-CG2 4.23Å; F59-V94 HydrophobicContact CD2-CG1 4.27Å; C62-V94 HydrophobicContact CB-CB 4.22Å; C62-V94 HydrophobicContact CB-CG1 3.86Å; C62-V94 VanDerWaalsContact SG-CG1 3.58Å
95L82Confident80.1Confident19 Ų1964.8 Ų64.810%0.09931%0.308CS..SBendtrans-115.4148178.9-63.5178.1000110.4L29 F59 C62 I63 Q66 R97 V100L29-L95 HydrophobicContact CD2-CD1 4.47Å; F59-L95 HydrophobicContact CD2-CD2 3.96Å; F59-L95 HydrophobicContact CE2-CD2 3.58Å; F59-L95 HydrophobicContact CZ-CD2 4.3Å; C62-L95 HydrophobicContact CB-CD1 4.07Å; C62-L95 HydrophobicContact CB-CD2 4.5Å; C62-L95 HydrophobicContact CB-CG 4.03Å; I63-L95 HydrophobicContact CG1-CD1 4.47Å; I63-L95 HydrophobicContact CG1-CD2 3.86Å; Q66-L95 HydrophobicContact CB-CD1 4.16Å; L95-R97 PolarHBondContact O-N 2.77Å; L95-V100 HydrophobicContact CB-CG2 3.72Å; L95-V100 HydrophobicContact CD1-CG2 4.27Å
96P82.6Confident80.8Confident65 Ų6563.3 Ų63.342%0.42230%0.303SS..  trans-59.9125.7177.1-2232.4000111.6F98 R99 V100P96-F98 VanDerWaalsContact C-N 3.35Å; P96-F98 PolarHBondContact O-N 3.42Å; P96-R99 HydrophobicContact CB-CB 4.2Å; P96-R99 HydrophobicContact CB-CG 3.78Å; P96-R99 HydrophobicContact CG-CG 4.21Å; P96-R99 WeakPolarHBondContact O-CB 3.16Å; P96-R99 PolarHBondContact O-N 3.03Å; P96-V100 WeakPolarHBondContact O-CG2 3.43Å; P96-V100 PolarHBondContact O-N 2.51Å
97R83.6Confident81.4Confident97 Ų9759.3 Ų59.337%0.36629%0.289SS..Hα-helixtrans-62-40.1-172.2-65.9177.173.7171.7-2.4113.1L95 R99 V100 L101 Y176 S179 E184L95-R97 PolarHBondContact O-N 2.77Å; R97-R99 VanDerWaalsContact C-N 3.32Å; R97-R99 PolarHBondContact O-N 3.38Å; R97-V100 PolarHBondContact O-N 2.86Å; R97-L101 WeakPolarHBondContact O-CB 3.32Å; R97-L101 PolarHBondContact O-N 3.02Å; R97-Y176 HydrophobicContact CB-CE2 4.02Å; R97-S179 PolarHBondContact NH2-OG 2.99Å; R97-S179 VanDerWaalsContact NH2-OG 3.13Å; R97-E184 WeakPolarHBondContact CD-OE1 3.37Å; R97-E184 IonicContact CZ-OE1 2.84Å; R97-E184 IonicContact NH1-OE1 2.69Å; R97-E184 PolarHBondContact NH1-OE1 3.36Å; R97-E184 VanDerWaalsContact NH1-OE1 3.15Å
98F89.4Confident82.5Confident5 Ų558.5 Ų58.52%0.02229%0.289CS..Hα-helixtrans-58.3-43.7174174-102.3000111.9Y28 P96 L101 M102 V149 S150 P151 V154Y28-F98 WeakPolarHBondContact OH-CE1 3.46Å; P96-F98 VanDerWaalsContact C-N 3.35Å; P96-F98 PolarHBondContact O-N 3.42Å; F98-L101 WeakPolarHBondContact O-CB 3.29Å; F98-L101 PolarHBondContact O-N 3.27Å; F98-M102 HydrophobicContact CD2-CE 3.93Å; F98-M102 HydrophobicContact CE1-CG 4.21Å; F98-M102 HydrophobicContact CE2-CE 3.26Å; F98-M102 HydrophobicContact CE2-CG 4.06Å; F98-M102 HydrophobicContact CE2-SD 4.48Å; F98-M102 HydrophobicContact CZ-CE 3.84Å; F98-M102 HydrophobicContact CZ-CG 3.84Å; F98-M102 PolarHBondContact O-N 3.26Å; F98-V149 HydrophobicContact CE2-CG1 3.93Å; F98-V149 HydrophobicContact CZ-CG1 3.69Å; F98-S150 VanDerWaalsContact CE2-O 3.31Å; F98-S150 WeakPolarHBondContact CE2-O 3.35Å; F98-P151 HydrophobicContact CB-CB 3.93Å; F98-P151 HydrophobicContact CB-CG 4Å; F98-P151 HydrophobicContact CD1-CG 4.15Å; F98-P151 HydrophobicContact CD2-CB 4.46Å; F98-P151 HydrophobicContact CG-CB 4.17Å; F98-P151 HydrophobicContact CG-CG 4Å; F98-V154 HydrophobicContact CD2-CG1 4.07Å; F98-V154 HydrophobicContact CE2-CG1 3.85Å
99R93.3Very high83.7Confident30 Ų3058 Ų5811%0.11329%0.287CS..Hα-helixtrans-66.3-42.9179.2-57.7-63.2179.7-176-9111.4Y28 L29 P96 R97 L101 M102 V103 E144Y28-R99 HydrophobicContact CD1-CB 4.4Å; Y28-R99 HydrophobicContact CE1-CB 4.18Å; Y28-R99 WeakPolarHBondContact O-CD 3.2Å; Y28-R99 PolarHBondContact OH-NH1 3.17Å; L29-R99 HydrophobicContact CD2-CB 4.35Å; P96-R99 HydrophobicContact CB-CB 4.2Å; P96-R99 HydrophobicContact CB-CG 3.78Å; P96-R99 HydrophobicContact CG-CG 4.21Å; P96-R99 WeakPolarHBondContact O-CB 3.16Å; P96-R99 PolarHBondContact O-N 3.03Å; R97-R99 VanDerWaalsContact C-N 3.32Å; R97-R99 PolarHBondContact O-N 3.38Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.93Å; R99-M102 PolarHBondContact O-N 3.25Å; R99-V103 WeakPolarHBondContact O-CG2 3.41Å; R99-V103 PolarHBondContact O-N 2.92Å; R99-E144 IonicContact CZ-OE1 3.74Å; R99-E144 IonicContact CZ-OE2 3.15Å; R99-E144 IonicContact NH1-OE1 2.62Å; R99-E144 PolarHBondContact NH1-OE1 3.31Å; R99-E144 IonicContact NH1-OE2 2.92Å; R99-E144 PolarHBondContact NH1-OE2 2.94Å; R99-E144 IonicContact NH2-OE2 3.69Å; R99-E144 PolarHBondContact NH2-OE2 2.94Å
100V91.4Very high85.1Confident36 Ų3656.2 Ų56.222%0.21828%0.279CS..Hα-helixtrans-60.2-42.1174.2171.90000111.1L29 L95 P96 R97 T104L29-V100 HydrophobicContact CD2-CG2 4.13Å; L95-V100 HydrophobicContact CB-CG2 3.72Å; L95-V100 HydrophobicContact CD1-CG2 4.27Å; P96-V100 WeakPolarHBondContact O-CG2 3.43Å; P96-V100 PolarHBondContact O-N 2.51Å; R97-V100 PolarHBondContact O-N 2.86Å; V100-T104 WeakPolarHBondContact O-CB 3.24Å; V100-T104 PolarHBondContact O-N 3.14Å; V100-T104 PolarHBondContact O-OG1 3.07Å
101L93.9Very high86.7Confident12 Ų1255.7 Ų55.76%0.06328%0.276CS..Hα-helixtrans-58.8-52.5175.8174.368.3000111.3R97 F98 R99 V103 T104 I105 T172 Y176R97-L101 WeakPolarHBondContact O-CB 3.32Å; R97-L101 PolarHBondContact O-N 3.02Å; F98-L101 WeakPolarHBondContact O-CB 3.29Å; F98-L101 PolarHBondContact O-N 3.27Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.93Å; L101-V103 VanDerWaalsContact C-N 3.35Å; L101-V103 PolarHBondContact O-N 3.17Å; L101-T104 WeakPolarHBondContact O-CB 3.24Å; L101-T104 PolarHBondContact O-N 3.03Å; L101-T104 VanDerWaalsContact O-N 3.14Å; L101-I105 HydrophobicContact CD1-CD1 3.81Å; L101-I105 HydrophobicContact CD1-CG1 4.22Å; L101-I105 HydrophobicContact CD2-CD1 4.45Å; L101-I105 HydrophobicContact CG-CD1 3.77Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 3.22Å; L101-T172 HydrophobicContact CD1-CG2 3.71Å; L101-Y176 HydrophobicContact CB-CD2 4.44Å; L101-Y176 HydrophobicContact CD2-CD1 3.84Å; L101-Y176 HydrophobicContact CD2-CD2 3.85Å; L101-Y176 HydrophobicContact CD2-CE1 4.4Å; L101-Y176 HydrophobicContact CD2-CE2 4.41Å; L101-Y176 HydrophobicContact CD2-CG 3.54Å
102M96.4Very high88.4Confident0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-66.3-35.7-176.6-64.9-53.8157.700112.7Y28 F98 R99 I105 S106 F136 L137 M140 V154 V157Y28-M102 HydrophobicContact CE1-CB 3.7Å; Y28-M102 HydrophobicContact CE1-CG 4.48Å; Y28-M102 WeakPolarHBondContact OH-CG 3.28Å; F98-M102 HydrophobicContact CD2-CE 3.93Å; F98-M102 HydrophobicContact CE1-CG 4.21Å; F98-M102 HydrophobicContact CE2-CE 3.26Å; F98-M102 HydrophobicContact CE2-CG 4.06Å; F98-M102 HydrophobicContact CE2-SD 4.48Å; F98-M102 HydrophobicContact CZ-CE 3.84Å; F98-M102 HydrophobicContact CZ-CG 3.84Å; F98-M102 PolarHBondContact O-N 3.26Å; R99-M102 PolarHBondContact O-N 3.25Å; M102-I105 PolarHBondContact O-N 3.47Å; M102-I105 HydrophobicContact SD-CD1 4.12Å; M102-S106 VanDerWaalsContact O-CB 3.31Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 2.89Å; M102-F136 HydrophobicContact SD-CE1 4.01Å; M102-F136 HydrophobicContact SD-CZ 4.26Å; M102-L137 HydrophobicContact CB-CD2 4.08Å; M102-M140 HydrophobicContact CG-CG 4.33Å; M102-M140 HydrophobicContact SD-CG 4.07Å; M102-M140 HydrophobicContact SD-SD 3.91Å; M102-V154 HydrophobicContact CE-CG1 4.19Å; M102-V157 HydrophobicContact CE-CB 4.35Å; M102-V157 HydrophobicContact CE-CG1 4.07Å; M102-V157 HydrophobicContact CE-CG2 3.99Å; M102-V157 HydrophobicContact SD-CG1 4.16Å
103V94.8Very high90.4Very high0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-65.4-43171.5173.40000111.1K25 Y28 L29 R99 L101 I105 S106 D107 L137K25-V103 HydrophobicContact CB-CG1 4.42Å; K25-V103 HydrophobicContact CD-CG1 4.15Å; K25-V103 HydrophobicContact CG-CG1 4.27Å; Y28-V103 HydrophobicContact CD1-CG2 3.82Å; Y28-V103 HydrophobicContact CE1-CG2 4.44Å; L29-V103 HydrophobicContact CD2-CB 4.27Å; L29-V103 HydrophobicContact CD2-CG2 3.78Å; L29-V103 HydrophobicContact CG-CG2 3.94Å; R99-V103 WeakPolarHBondContact O-CG2 3.41Å; R99-V103 PolarHBondContact O-N 2.92Å; L101-V103 VanDerWaalsContact C-N 3.35Å; L101-V103 PolarHBondContact O-N 3.17Å; V103-I105 VanDerWaalsContact C-N 3.34Å; V103-I105 PolarHBondContact O-N 3.26Å; V103-S106 WeakPolarHBondContact O-CB 3.17Å; V103-S106 PolarHBondContact O-N 3.42Å; V103-D107 VanDerWaalsContact O-CG 3.29Å; V103-D107 PolarHBondContact O-N 3.03Å; V103-L137 HydrophobicContact CG2-CD1 4.1Å; V103-L137 HydrophobicContact CG2-CD2 4.19Å
104T94.4Very high91.7Very high48 Ų4842.4 Ų42.429%0.29422%0.222SC..Hα-helixtrans-61.6-43.4177.6-57.70000111.3Q66 V100 L101 D107 N108Q66-T104 PolarHBondContact NE2-OG1 2.92Å; V100-T104 WeakPolarHBondContact O-CB 3.24Å; V100-T104 PolarHBondContact O-N 3.14Å; V100-T104 PolarHBondContact O-OG1 3.07Å; L101-T104 WeakPolarHBondContact O-CB 3.24Å; L101-T104 PolarHBondContact O-N 3.03Å; L101-T104 VanDerWaalsContact O-N 3.14Å; T104-D107 PolarHBondContact O-N 3.37Å; T104-N108 PolarHBondContact O-N 3.26Å; T104-N108 PolarHBondContact O-ND2 3.35Å
105I95.9Very high92.6Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-62.2-48.5174.4-69.5168000109.8L101 M102 V103 D107 N108 L109 F136 V157 L161 L169 V173L101-I105 HydrophobicContact CD1-CD1 3.81Å; L101-I105 HydrophobicContact CD1-CG1 4.22Å; L101-I105 HydrophobicContact CD2-CD1 4.45Å; L101-I105 HydrophobicContact CG-CD1 3.77Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 3.22Å; M102-I105 PolarHBondContact O-N 3.47Å; M102-I105 HydrophobicContact SD-CD1 4.12Å; V103-I105 VanDerWaalsContact C-N 3.34Å; V103-I105 PolarHBondContact O-N 3.26Å; I105-D107 VanDerWaalsContact C-N 3.25Å; I105-D107 PolarHBondContact O-N 3.45Å; I105-N108 CarbonylContact O-C 3.51Å; I105-N108 PolarHBondContact O-N 2.95Å; I105-L109 HydrophobicContact CG2-CD1 3.66Å; I105-L109 HydrophobicContact CG2-CG 4.19Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 3.4Å; I105-L109 VanDerWaalsContact O-N 3.12Å; I105-F136 HydrophobicContact CB-CE1 4Å; I105-F136 HydrophobicContact CG2-CD1 4.04Å; I105-F136 HydrophobicContact CG2-CE1 3.45Å; I105-F136 VanDerWaalsContact CG2-CE1 3.45Å; I105-F136 HydrophobicContact CG2-CE2 4.31Å; I105-F136 HydrophobicContact CG2-CZ 3.61Å; I105-V157 HydrophobicContact CD1-CG1 4.5Å; I105-L161 HydrophobicContact CD1-CD1 4.23Å; I105-L161 HydrophobicContact CG2-CD1 4.27Å; I105-L161 HydrophobicContact CG2-CD2 4.24Å; I105-L169 HydrophobicContact CG2-CD1 4.2Å; I105-V173 HydrophobicContact CD1-CG2 3.47Å; I105-V173 VanDerWaalsContact CD1-CG2 3.47Å
106S96.2Very high93.2Very high21 Ų2149 Ų4915%0.14725%0.251CS..Hα-helixtrans-56.8-38.3178.7-170.40000112.9M102 V103 N108 L109M102-S106 VanDerWaalsContact O-CB 3.31Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 2.89Å; V103-S106 WeakPolarHBondContact O-CB 3.17Å; V103-S106 PolarHBondContact O-N 3.42Å; S106-N108 PolarHBondContact O-N 3.44Å; S106-L109 PolarHBondContact O-N 2.89Å
107D94.4Very high93.7Very high69 Ų6946 Ų4637%0.36923%0.231SC..Hα-helixtrans-70.8-20.6-179.5-74.4-8.1000113K25 V103 T104 I105K25-D107 WeakPolarHBondContact CE-OD1 3.33Å; K25-D107 IonicContact NZ-OD1 2.57Å; K25-D107 PolarHBondContact NZ-OD1 3.09Å; K25-D107 IonicContact NZ-OD2 3.61Å; V103-D107 VanDerWaalsContact O-CG 3.29Å; V103-D107 PolarHBondContact O-N 3.03Å; T104-D107 PolarHBondContact O-N 3.37Å; I105-D107 VanDerWaalsContact C-N 3.25Å; I105-D107 PolarHBondContact O-N 3.45Å
108N95.4Very high94.1Very high79 Ų7942.2 Ų42.242%0.42222%0.217SC..Hα-helixtrans-1050-179-72.2-83.8000112.9T104 I105 S106 R166 L169T104-N108 PolarHBondContact O-N 3.26Å; T104-N108 PolarHBondContact O-ND2 3.35Å; I105-N108 CarbonylContact O-C 3.51Å; I105-N108 PolarHBondContact O-N 2.95Å; S106-N108 PolarHBondContact O-N 3.44Å; N108-R166 VanDerWaalsContact O-CZ 3.26Å; N108-R166 PolarHBondContact O-NH1 3.1Å; N108-R166 PolarHBondContact O-NH2 3.44Å; N108-L169 HydrophobicContact CB-CD1 4.29Å; N108-L169 HydrophobicContact CB-CD2 3.73Å
109L95.6Very high94.1Very high16 Ų1650 Ų508%0.08425%0.252CS..  trans-95.1137.8175.4-73.7170.6000111.2I105 S106 D113 V114 I117 F136 L161 I164 R166 L169I105-L109 HydrophobicContact CG2-CD1 3.66Å; I105-L109 HydrophobicContact CG2-CG 4.19Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 3.4Å; I105-L109 VanDerWaalsContact O-N 3.12Å; S106-L109 PolarHBondContact O-N 2.89Å; L109-D113 HydrophobicContact CB-CB 4.32Å; L109-D113 HydrophobicContact CD2-CB 3.6Å; L109-V114 HydrophobicContact CB-CG2 4.47Å; L109-I117 HydrophobicContact CD1-CD1 4.15Å; L109-I117 HydrophobicContact CD2-CD1 4.46Å; L109-F136 HydrophobicContact CD1-CB 3.83Å; L109-F136 HydrophobicContact CD1-CD1 3.97Å; L109-F136 HydrophobicContact CD1-CD2 3.34Å; L109-F136 HydrophobicContact CD1-CE1 4.39Å; L109-F136 HydrophobicContact CD1-CE2 3.82Å; L109-F136 HydrophobicContact CD1-CG 3.42Å; L109-F136 VanDerWaalsContact CD1-CG 3.42Å; L109-F136 HydrophobicContact CD1-CZ 4.32Å; L109-L161 HydrophobicContact CD1-CD2 4.43Å; L109-L161 HydrophobicContact CD2-CD2 3.97Å; L109-I164 HydrophobicContact CD2-CD1 4.11Å; L109-R166 HydrophobicContact CD2-CG 4.25Å; L109-L169 HydrophobicContact CD2-CD1 3.53Å; L109-L169 HydrophobicContact CG-CD1 3.72Å
110Q93.8Very high94Very high119 Ų11952.3 Ų52.356%0.55627%0.265SS*.  trans-87.1165.6171.1-57.5-57.2-49.500110.8E112 D113 V114Q110-E112 WeakPolarHBondContact CB-OE2 3.36Å; Q110-E112 PolarHBondContact O-N 2.89Å; Q110-D113 PolarHBondContact N-OD2 3.49Å; Q110-D113 WeakPolarHBondContact O-CB 3.45Å; Q110-D113 PolarHBondContact O-N 3.04Å; Q110-D113 VanDerWaalsContact O-N 3.07Å; Q110-V114 PolarHBondContact O-N 2.84Å
111T93Very high93.9Very high97 Ų9750.7 Ų50.760%0.59526%0.256SS*.Hα-helixtrans-59.2-37.7179.3-590000111.9D113 V114 E115T111-D113 VanDerWaalsContact C-N 3.29Å; T111-D113 PolarHBondContact O-N 3.45Å; T111-V114 PolarHBondContact O-N 3.26Å; T111-E115 PolarHBondContact O-N 3.46Å; T111-E115 VanDerWaalsContact O-N 3.07Å
112E94.2Very high93.3Very high125 Ų12551.8 Ų51.858%0.58427%0.27SS*.Hα-helixtrans-64.3-34.4177-61.773.5-160.700112.1Q110 Q116Q110-E112 WeakPolarHBondContact CB-OE2 3.36Å; Q110-E112 PolarHBondContact O-N 2.89Å; E112-Q116 WeakPolarHBondContact O-CG 3.44Å; E112-Q116 PolarHBondContact O-N 3.24Å; E112-Q116 VanDerWaalsContact O-N 3.13Å; E112-Q116 PolarHBondContact O-NE2 3Å
113D96.1Very high92.4Very high21 Ų2163.9 Ų63.911%0.11232%0.315CS..Hα-helixtrans-66.8-42175.6-62.9-34.2000110.4L109 Q110 T111 Q116 I117 I164 R166L109-D113 HydrophobicContact CB-CB 4.32Å; L109-D113 HydrophobicContact CD2-CB 3.6Å; Q110-D113 PolarHBondContact N-OD2 3.49Å; Q110-D113 WeakPolarHBondContact O-CB 3.45Å; Q110-D113 PolarHBondContact O-N 3.04Å; Q110-D113 VanDerWaalsContact O-N 3.07Å; T111-D113 VanDerWaalsContact C-N 3.29Å; T111-D113 PolarHBondContact O-N 3.45Å; D113-Q116 PolarHBondContact O-N 2.95Å; D113-I117 WeakPolarHBondContact O-CG1 3.07Å; D113-I117 PolarHBondContact O-N 2.83Å; D113-I164 HydrophobicContact CB-CD1 3.77Å; D113-R166 IonicContact OD2-NH1 2.68Å; D113-R166 PolarHBondContact OD2-NH1 2.91Å
114V94.5Very high91.8Very high9 Ų966.5 Ų66.56%0.05533%0.332CS..Hα-helixtrans-63.9-42.2179-179.40000111.1L109 Q110 T111 I117 K118 F136 V139L109-V114 HydrophobicContact CB-CG2 4.47Å; Q110-V114 PolarHBondContact O-N 2.84Å; T111-V114 PolarHBondContact O-N 3.26Å; V114-I117 PolarHBondContact O-N 3.41Å; V114-K118 HydrophobicContact CG1-CD 4.09Å; V114-K118 VanDerWaalsContact O-CG 3.29Å; V114-K118 WeakPolarHBondContact O-CG 3.39Å; V114-K118 PolarHBondContact O-N 3.27Å; V114-F136 HydrophobicContact CG2-CB 4.02Å; V114-V139 HydrophobicContact CG1-CG2 4.34Å
115E93.6Very high91.2Very high90 Ų9064.5 Ų64.542%0.42132%0.319SS..Hα-helixtrans-65.2-38.4176.6-69-54.7141.200112.4T111 K118 F119T111-E115 PolarHBondContact O-N 3.46Å; T111-E115 VanDerWaalsContact O-N 3.07Å; E115-K118 PolarHBondContact O-N 3.5Å; E115-K118 IonicContact OE1-NZ 3.53Å; E115-K118 PolarHBondContact OE1-NZ 2.97Å; E115-K118 VanDerWaalsContact OE2-CE 3.31Å; E115-K118 WeakPolarHBondContact OE2-CE 3.45Å; E115-K118 IonicContact OE2-NZ 3.54Å; E115-K118 PolarHBondContact OE2-NZ 2.62Å; E115-K118 VanDerWaalsContact OE2-NZ 3.13Å; E115-F119 PolarHBondContact O-N 3.15Å
116Q94.1Very high90.6Very high91 Ų9167.3 Ų67.343%0.42534%0.339SS..Hα-helixtrans-64.2-41.6173.1-72.2174.668.900112.1E112 D113 F119 L120 I164E112-Q116 WeakPolarHBondContact O-CG 3.44Å; E112-Q116 PolarHBondContact O-N 3.24Å; E112-Q116 VanDerWaalsContact O-N 3.13Å; E112-Q116 PolarHBondContact O-NE2 3Å; D113-Q116 PolarHBondContact O-N 2.95Å; Q116-F119 WeakPolarHBondContact O-CB 3.22Å; Q116-F119 PolarHBondContact O-N 2.97Å; Q116-L120 WeakPolarHBondContact O-CG 3.29Å; Q116-L120 PolarHBondContact O-N 3.36Å; Q116-I164 HydrophobicContact CB-CB 4.36Å; Q116-I164 HydrophobicContact CB-CG2 3.59Å
117I94.1Very high89.6Confident1 Ų172.9 Ų72.91%0.00537%0.366CS..Hα-helixtrans-62.4-44.4174.7-69.1168.7000110.7L109 D113 V114 F119 L120 L121 F136 V139 C160 L161 I164L109-I117 HydrophobicContact CD1-CD1 4.15Å; L109-I117 HydrophobicContact CD2-CD1 4.46Å; D113-I117 WeakPolarHBondContact O-CG1 3.07Å; D113-I117 PolarHBondContact O-N 2.83Å; V114-I117 PolarHBondContact O-N 3.41Å; I117-F119 VanDerWaalsContact C-N 3.25Å; I117-F119 PolarHBondContact O-N 3.08Å; I117-L120 PolarHBondContact O-N 3.04Å; I117-L121 HydrophobicContact CG2-CD1 3.85Å; I117-L121 HydrophobicContact CG2-CG 4.48Å; I117-L121 WeakPolarHBondContact O-CG 3.31Å; I117-L121 PolarHBondContact O-N 3.39Å; I117-F136 HydrophobicContact CD1-CD2 3.95Å; I117-F136 HydrophobicContact CD1-CE2 3.95Å; I117-V139 HydrophobicContact CG2-CG1 4.38Å; I117-C160 HydrophobicContact CG1-CB 4.4Å; I117-C160 HydrophobicContact CG2-CB 4.32Å; I117-L161 HydrophobicContact CD1-CD2 4.33Å; I117-I164 HydrophobicContact CD1-CD1 3.84Å; I117-I164 HydrophobicContact CG1-CD1 3.9Å; I117-I164 HydrophobicContact CG1-CG1 4.46Å; I117-I164 HydrophobicContact CG1-CG2 3.98Å
118K92Very high88.7Confident17 Ų1776.3 Ų76.37%0.07438%0.38CS..Hα-helixtrans-58.2-39.4175.6-74.6166.755.4175.80111.8V114 E115 L121 G122 K130 V133 V139V114-K118 HydrophobicContact CG1-CD 4.09Å; V114-K118 VanDerWaalsContact O-CG 3.29Å; V114-K118 WeakPolarHBondContact O-CG 3.39Å; V114-K118 PolarHBondContact O-N 3.27Å; E115-K118 PolarHBondContact O-N 3.5Å; E115-K118 IonicContact OE1-NZ 3.53Å; E115-K118 PolarHBondContact OE1-NZ 2.97Å; E115-K118 VanDerWaalsContact OE2-CE 3.31Å; E115-K118 WeakPolarHBondContact OE2-CE 3.45Å; E115-K118 IonicContact OE2-NZ 3.54Å; E115-K118 PolarHBondContact OE2-NZ 2.62Å; E115-K118 VanDerWaalsContact OE2-NZ 3.13Å; K118-L121 CarbonylContact O-C 3.57Å; K118-L121 PolarHBondContact O-N 3.26Å; K118-G122 PolarHBondContact O-N 3.46Å; K118-K130 WeakPolarHBondContact CE-O 3.48Å; K118-K130 PolarHBondContact NZ-O 3.26Å; K118-K130 VanDerWaalsContact NZ-O 3.08Å; K118-K130 WeakPolarHBondContact O-CD 3.31Å; K118-K130 WeakPolarHBondContact O-CE 3.29Å; K118-V133 PolarHBondContact NZ-O 3.09Å; K118-V139 HydrophobicContact CG-CG2 4.07Å
119F89.4Confident87.9Confident170 Ų17075.9 Ų75.975%0.74637%0.374SS*.Hα-helixtrans-65-45.1175.7-178.6-96.4000112.4E115 Q116 I117 L121 G122E115-F119 PolarHBondContact O-N 3.15Å; Q116-F119 WeakPolarHBondContact O-CB 3.22Å; Q116-F119 PolarHBondContact O-N 2.97Å; I117-F119 VanDerWaalsContact C-N 3.25Å; I117-F119 PolarHBondContact O-N 3.08Å; F119-L121 VanDerWaalsContact C-N 3.27Å; F119-L121 PolarHBondContact O-N 3.14Å; F119-G122 VanDerWaalsContact O-CA 3.29Å; F119-G122 WeakPolarHBondContact O-CA 3.34Å; F119-G122 PolarHBondContact O-N 3.28Å
120L90.3Very high87.1Confident77 Ų7776.5 Ų76.540%0.40338%0.376SS..Hα-helixtrans-60.4-37.4176-69173.6000112.2Q116 I117 G122 N163 I164Q116-L120 WeakPolarHBondContact O-CG 3.29Å; Q116-L120 PolarHBondContact O-N 3.36Å; I117-L120 PolarHBondContact O-N 3.04Å; L120-G122 PolarHBondContact O-N 3.34Å; L120-G122 VanDerWaalsContact O-N 3.1Å; L120-N163 HydrophobicContact CD1-CB 3.53Å; L120-N163 HydrophobicContact CD2-CB 4.28Å; L120-I164 HydrophobicContact CD1-CG2 3.65Å
121L89.3Confident86.3Confident3 Ų378.1 Ų78.12%0.01638%0.384CS..G310 helixtrans-78.216.6174.1-60.7171.3000112.8I117 K118 F119 R123 T124 L125 K130 V139 L143 L156I117-L121 HydrophobicContact CG2-CD1 3.85Å; I117-L121 HydrophobicContact CG2-CG 4.48Å; I117-L121 WeakPolarHBondContact O-CG 3.31Å; I117-L121 PolarHBondContact O-N 3.39Å; K118-L121 CarbonylContact O-C 3.57Å; K118-L121 PolarHBondContact O-N 3.26Å; F119-L121 VanDerWaalsContact C-N 3.27Å; F119-L121 PolarHBondContact O-N 3.14Å; L121-R123 PolarHBondContact O-N 2.86Å; L121-R123 VanDerWaalsContact O-N 3.11Å; L121-T124 PolarHBondContact O-N 2.83Å; L121-L125 HydrophobicContact CB-CD1 4.11Å; L121-L125 HydrophobicContact CB-CG 4.28Å; L121-L125 HydrophobicContact CD1-CD1 4.19Å; L121-L125 PolarHBondContact O-N 3.27Å; L121-K130 VanDerWaalsContact C-CE 3.48Å; L121-K130 WeakPolarHBondContact O-CE 3.48Å; L121-K130 PolarHBondContact O-NZ 3.17Å; L121-V139 HydrophobicContact CD1-CG1 3.48Å; L121-V139 VanDerWaalsContact CD1-CG1 3.48Å; L121-L143 HydrophobicContact CD1-CD1 3.9Å; L121-L143 HydrophobicContact CD1-CD2 4.24Å; L121-L143 HydrophobicContact CD1-CG 4.4Å; L121-L143 HydrophobicContact CD2-CD1 4.48Å; L121-L143 HydrophobicContact CD2-CD2 4.31Å; L121-L156 HydrophobicContact CD2-CD1 4.15Å; L121-L156 HydrophobicContact CD2-CD2 4.23Å; L121-L156 HydrophobicContact CD2-CG 4.36Å
122G80.9Confident85.8Confident35 Ų3578.7 Ų78.736%0.36138%0.383SS..G310 helixtrans-37.8-44.6172.800000115.1K118 F119 L120 K130K118-G122 PolarHBondContact O-N 3.46Å; F119-G122 VanDerWaalsContact O-CA 3.29Å; F119-G122 WeakPolarHBondContact O-CA 3.34Å; F119-G122 PolarHBondContact O-N 3.28Å; L120-G122 PolarHBondContact O-N 3.34Å; L120-G122 VanDerWaalsContact O-N 3.1Å; G122-K130 PolarHBondContact O-NZ 3.49Å
123R79Confident85.4Confident253 Ų25373.1 Ų73.196%0.95536%0.358SS*.G310 helixtrans-98-7.6-175.8-62-177.5178.4-173.4-0.8113.7L121L121-R123 PolarHBondContact O-N 2.86Å; L121-R123 VanDerWaalsContact O-N 3.11Å
124T81.5Confident85Confident56 Ų5679.2 Ų79.234%0.34438%0.383SS..THydrogen-bonded Turntrans-100.4-45-173.4-49.90000111.6L121 L143 L148L121-T124 PolarHBondContact O-N 2.83Å; T124-L143 HydrophobicContact CG2-CD2 4Å; T124-L148 HydrophobicContact CG2-CD1 3.14Å
125L82.9Confident84.9Confident5 Ų580.6 Ų80.63%0.02639%0.392CS..SBendtrans-96.3139.2178.2-62.5174.6000110.3L121 K130 V139 E142 L143 L146L121-L125 HydrophobicContact CB-CD1 4.11Å; L121-L125 HydrophobicContact CB-CG 4.28Å; L121-L125 HydrophobicContact CD1-CD1 4.19Å; L121-L125 PolarHBondContact O-N 3.27Å; L125-K130 HydrophobicContact CB-CG 3.77Å; L125-K130 HydrophobicContact CD1-CG 4.46Å; L125-K130 PolarHBondContact O-NZ 3.35Å; L125-V139 HydrophobicContact CD1-CG1 4.37Å; L125-E142 HydrophobicContact CD2-CB 3.94Å; L125-L143 HydrophobicContact CD2-CD2 4.18Å; L125-L146 HydrophobicContact CD2-CD1 4.08Å
126S81.7Confident85Confident59 Ų5976.4 Ų76.441%0.41337%0.372SS..  trans-61.9154.8171.6680000111.1E128 K129 K130S126-E128 VanDerWaalsContact C-N 3.27Å; S126-E128 PolarHBondContact O-N 3.42Å; S126-K129 PolarHBondContact O-N 3.08Å; S126-K129 VanDerWaalsContact O-N 3.15Å; S126-K129 WeakPolarHBondContact OG-CB 3.48Å; S126-K129 VanDerWaalsContact OG-CG 3.28Å; S126-K129 WeakPolarHBondContact OG-CG 3.5Å; S126-K129 PolarHBondContact OG-N 3.1Å; S126-K130 WeakPolarHBondContact O-CG 3.45Å; S126-K130 PolarHBondContact O-N 2.85Å
127L76Confident85.1Confident139 Ų13972.4 Ų72.473%0.72835%0.354SS*.Hα-helixtrans-54.3-44.4178.4-79.4157.2000111.7K129 K130 E131L127-K129 PolarHBondContact O-N 3.45Å; L127-K130 PolarHBondContact O-N 2.78Å; L127-E131 PolarHBondContact O-N 3.04Å; L127-E131 VanDerWaalsContact O-N 3.15Å
128E75.8Confident85Confident141 Ų14173.3 Ų73.366%0.65936%0.358SS*.Hα-helixtrans-60.2-43.6176.6-174.4-178.8-175.500112.9S126 K130 E131 N132S126-E128 VanDerWaalsContact C-N 3.27Å; S126-E128 PolarHBondContact O-N 3.42Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 2.93Å; E128-E131 PolarHBondContact O-N 3.22Å; E128-N132 PolarHBondContact O-N 3.28Å; E128-N132 PolarHBondContact O-ND2 2.74Å; E128-N132 VanDerWaalsContact O-ND2 3.08Å
129K78.9Confident85.2Confident70 Ų7072.5 Ų72.530%0.30435%0.354SS..Hα-helixtrans-66.1-35.9177.3-74.7180174.2-146.90112S126 L127 N132 V133 E142S126-K129 PolarHBondContact O-N 3.08Å; S126-K129 VanDerWaalsContact O-N 3.15Å; S126-K129 WeakPolarHBondContact OG-CB 3.48Å; S126-K129 VanDerWaalsContact OG-CG 3.28Å; S126-K129 WeakPolarHBondContact OG-CG 3.5Å; S126-K129 PolarHBondContact OG-N 3.1Å; L127-K129 PolarHBondContact O-N 3.45Å; K129-N132 PolarHBondContact O-N 3.01Å; K129-V133 WeakPolarHBondContact O-CB 3.42Å; K129-V133 VanDerWaalsContact O-CG2 3.22Å; K129-V133 WeakPolarHBondContact O-CG2 3.38Å; K129-V133 PolarHBondContact O-N 3.07Å; K129-V133 VanDerWaalsContact O-N 3.14Å; K129-E142 WeakPolarHBondContact CD-OE2 3.37Å; K129-E142 VanDerWaalsContact CE-OE2 3.31Å; K129-E142 WeakPolarHBondContact CE-OE2 3.33Å; K129-E142 IonicContact NZ-OE2 2.79Å; K129-E142 PolarHBondContact NZ-OE2 3.03Å
130K77.4Confident85.4Confident28 Ų2864.5 Ų64.512%0.12232%0.32CS..Hα-helixtrans-66.3-39.2177.5-69.2-162.6-171.686.70113K118 L121 G122 L125 S126 L127 E128 N132K118-K130 WeakPolarHBondContact CE-O 3.48Å; K118-K130 PolarHBondContact NZ-O 3.26Å; K118-K130 VanDerWaalsContact NZ-O 3.08Å; K118-K130 WeakPolarHBondContact O-CD 3.31Å; K118-K130 WeakPolarHBondContact O-CE 3.29Å; L121-K130 VanDerWaalsContact C-CE 3.48Å; L121-K130 WeakPolarHBondContact O-CE 3.48Å; L121-K130 PolarHBondContact O-NZ 3.17Å; G122-K130 PolarHBondContact O-NZ 3.49Å; L125-K130 HydrophobicContact CB-CG 3.77Å; L125-K130 HydrophobicContact CD1-CG 4.46Å; L125-K130 PolarHBondContact O-NZ 3.35Å; S126-K130 WeakPolarHBondContact O-CG 3.45Å; S126-K130 PolarHBondContact O-N 2.85Å; L127-K130 PolarHBondContact O-N 2.78Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 2.93Å; K130-N132 VanDerWaalsContact C-N 3.31Å
131E77.1Confident85.4Confident154 Ų15461.2 Ų61.272%0.7230%0.302SS*.Hα-helixtrans-68.5-33.8178.3-71.2-178172.500111.7L127 E128L127-E131 PolarHBondContact O-N 3.04Å; L127-E131 VanDerWaalsContact O-N 3.15Å; E128-E131 PolarHBondContact O-N 3.22Å
132N82.3Confident85.5Confident108 Ų10862.1 Ų62.158%0.57831%0.306SS*.Hα-helixtrans-79.1-27.9-177.9-72.1-32.6000114.2E128 K129 K130E128-N132 PolarHBondContact O-N 3.28Å; E128-N132 PolarHBondContact O-ND2 2.74Å; E128-N132 VanDerWaalsContact O-ND2 3.08Å; K129-N132 PolarHBondContact O-N 3.01Å; K130-N132 VanDerWaalsContact C-N 3.31Å
133V86.1Confident85.9Confident8 Ų860.5 Ų60.55%0.04829%0.29CS..  trans-82.2121.8-178.6169.80000111.2K118 K129 E138 V139 E142K118-V133 PolarHBondContact NZ-O 3.09Å; K129-V133 WeakPolarHBondContact O-CB 3.42Å; K129-V133 VanDerWaalsContact O-CG2 3.22Å; K129-V133 WeakPolarHBondContact O-CG2 3.38Å; K129-V133 PolarHBondContact O-N 3.07Å; K129-V133 VanDerWaalsContact O-N 3.14Å; V133-E138 HydrophobicContact CB-CB 4.4Å; V133-E138 HydrophobicContact CG1-CB 3.73Å; V133-E138 HydrophobicContact CG2-CB 4.29Å; V133-V139 HydrophobicContact CG1-CB 4.12Å; V133-V139 HydrophobicContact CG1-CG2 3.31Å; V133-E142 HydrophobicContact CG2-CG 3.92Å
134K87.6Confident86.4Confident149 Ų14949.2 Ų49.265%0.64825%0.248SC*.  trans-111.5-22.1-174.3-61.7-177.5-178.5-178.80114E138K134-E138 PolarHBondContact N-OE2 3.27Å
135T92.8Very high86.5Confident39 Ų3951.2 Ų51.224%0.23925%0.252CS..SBendtrans-127156.3-17667.40000111.3L137 E138 V139T135-L137 VanDerWaalsContact C-N 3.26Å; T135-L137 PolarHBondContact O-N 2.7Å; T135-E138 PolarHBondContact N-OE2 3.38Å; T135-E138 WeakPolarHBondContact O-CB 3.47Å; T135-E138 PolarHBondContact O-N 2.86Å; T135-E138 VanDerWaalsContact O-N 3.11Å; T135-E138 WeakPolarHBondContact OG1-CG 3.44Å; T135-E138 PolarHBondContact OG1-N 2.9Å; T135-V139 PolarHBondContact O-N 2.93Å; T135-V139 VanDerWaalsContact O-N 3.09Å
136F95.9Very high86.6Confident2 Ų254.5 Ų54.51%0.00927%0.269CS..Hα-helixtrans-56.2-40.7175.4179.3-103.8000112.3M102 I105 L109 V114 I117 E138 V139 M140 V157M102-F136 HydrophobicContact SD-CE1 4.01Å; M102-F136 HydrophobicContact SD-CZ 4.26Å; I105-F136 HydrophobicContact CB-CE1 4Å; I105-F136 HydrophobicContact CG2-CD1 4.04Å; I105-F136 HydrophobicContact CG2-CE1 3.45Å; I105-F136 VanDerWaalsContact CG2-CE1 3.45Å; I105-F136 HydrophobicContact CG2-CE2 4.31Å; I105-F136 HydrophobicContact CG2-CZ 3.61Å; L109-F136 HydrophobicContact CD1-CB 3.83Å; L109-F136 HydrophobicContact CD1-CD1 3.97Å; L109-F136 HydrophobicContact CD1-CD2 3.34Å; L109-F136 HydrophobicContact CD1-CE1 4.39Å; L109-F136 HydrophobicContact CD1-CE2 3.82Å; L109-F136 HydrophobicContact CD1-CG 3.42Å; L109-F136 VanDerWaalsContact CD1-CG 3.42Å; L109-F136 HydrophobicContact CD1-CZ 4.32Å; V114-F136 HydrophobicContact CG2-CB 4.02Å; I117-F136 HydrophobicContact CD1-CD2 3.95Å; I117-F136 HydrophobicContact CD1-CE2 3.95Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.04Å; F136-V139 WeakPolarHBondContact O-CA 3.37Å; F136-V139 VanDerWaalsContact O-CB 3.31Å; F136-V139 WeakPolarHBondContact O-CB 3.49Å; F136-V139 PolarHBondContact O-N 2.99Å; F136-V139 VanDerWaalsContact O-N 3.09Å; F136-M140 HydrophobicContact CD1-CG 4.01Å; F136-M140 HydrophobicContact CD2-CE 4.18Å; F136-M140 HydrophobicContact CE1-CE 4.42Å; F136-M140 HydrophobicContact CE1-CG 3.54Å; F136-M140 HydrophobicContact CE1-SD 3.95Å; F136-M140 HydrophobicContact CE2-CE 3.53Å; F136-M140 HydrophobicContact CE2-CG 4.33Å; F136-M140 HydrophobicContact CE2-SD 4.03Å; F136-M140 HydrophobicContact CZ-CE 3.67Å; F136-M140 HydrophobicContact CZ-CG 3.72Å; F136-M140 HydrophobicContact CZ-SD 3.49Å; F136-M140 WeakPolarHBondContact CZ-SD 3.43Å; F136-M140 WeakPolarHBondContact O-CG 3.35Å; F136-M140 PolarHBondContact O-N 3.45Å; F136-V157 HydrophobicContact CZ-CG1 4.04Å
137L95.3Very high86.6Confident7 Ų758.8 Ų58.84%0.03729%0.287CS..Hα-helixtrans-63.3-36.8177.3-66.5-179.7000112.9K25 Y28 M102 V103 T135 V139 M140 I141K25-L137 HydrophobicContact CB-CD1 4.49Å; K25-L137 HydrophobicContact CG-CD1 3.79Å; Y28-L137 HydrophobicContact CD1-CD2 3.89Å; Y28-L137 HydrophobicContact CE1-CD2 3.9Å; Y28-L137 HydrophobicContact CG-CD1 4.48Å; Y28-L137 HydrophobicContact CG-CD2 4.24Å; M102-L137 HydrophobicContact CB-CD2 4.08Å; V103-L137 HydrophobicContact CG2-CD1 4.1Å; V103-L137 HydrophobicContact CG2-CD2 4.19Å; T135-L137 VanDerWaalsContact C-N 3.26Å; T135-L137 PolarHBondContact O-N 2.7Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-M140 PolarHBondContact O-N 3.48Å; L137-I141 VanDerWaalsContact O-CG1 3.27Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.35Å
138E93.8Very high87Confident19 Ų1955.3 Ų55.39%0.08927%0.269CS..Hα-helixtrans-66.9-34.4173.7-73.4164.4-161.500111.4R24 T35 V133 K134 T135 F136 E142R24-E138 IonicContact CZ-OE1 2.8Å; R24-E138 IonicContact NE-OE1 2.77Å; R24-E138 IonicContact NH1-OE1 3.6Å; R24-E138 PolarHBondContact NH1-OE1 3.05Å; R24-E138 IonicContact NH2-OE1 3.94Å; T35-E138 HydrophobicContact CG2-CG 4.18Å; V133-E138 HydrophobicContact CB-CB 4.4Å; V133-E138 HydrophobicContact CG1-CB 3.73Å; V133-E138 HydrophobicContact CG2-CB 4.29Å; K134-E138 PolarHBondContact N-OE2 3.27Å; T135-E138 PolarHBondContact N-OE2 3.38Å; T135-E138 WeakPolarHBondContact O-CB 3.47Å; T135-E138 PolarHBondContact O-N 2.86Å; T135-E138 VanDerWaalsContact O-N 3.11Å; T135-E138 WeakPolarHBondContact OG1-CG 3.44Å; T135-E138 PolarHBondContact OG1-N 2.9Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.04Å; E138-E142 PolarHBondContact O-N 3.13Å; E138-E142 VanDerWaalsContact O-N 3.13Å
139V94.3Very high87.7Confident0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-61.5-47.8170.1-177.10000109.8V114 I117 K118 L121 L125 V133 T135 F136 L137 I141 E142 L143V114-V139 HydrophobicContact CG1-CG2 4.34Å; I117-V139 HydrophobicContact CG2-CG1 4.38Å; K118-V139 HydrophobicContact CG-CG2 4.07Å; L121-V139 HydrophobicContact CD1-CG1 3.48Å; L121-V139 VanDerWaalsContact CD1-CG1 3.48Å; L125-V139 HydrophobicContact CD1-CG1 4.37Å; V133-V139 HydrophobicContact CG1-CB 4.12Å; V133-V139 HydrophobicContact CG1-CG2 3.31Å; T135-V139 PolarHBondContact O-N 2.93Å; T135-V139 VanDerWaalsContact O-N 3.09Å; F136-V139 WeakPolarHBondContact O-CA 3.37Å; F136-V139 VanDerWaalsContact O-CB 3.31Å; F136-V139 WeakPolarHBondContact O-CB 3.49Å; F136-V139 PolarHBondContact O-N 2.99Å; F136-V139 VanDerWaalsContact O-N 3.09Å; L137-V139 VanDerWaalsContact C-N 3.32Å; V139-I141 PolarHBondContact O-N 3.03Å; V139-E142 PolarHBondContact O-N 3.47Å; V139-L143 HydrophobicContact CG1-CD1 4.19Å; V139-L143 HydrophobicContact CG1-CG 4.38Å; V139-L143 WeakPolarHBondContact O-CG 3.28Å; V139-L143 PolarHBondContact O-N 3.26Å
140M95.1Very high88Confident3 Ų346.9 Ų46.92%0.01523%0.234CC..Hα-helixtrans-62.1-43-179.8-64.8-55.793.800111.7M102 F136 L137 E142 L143 E144 V157M102-M140 HydrophobicContact CG-CG 4.33Å; M102-M140 HydrophobicContact SD-CG 4.07Å; M102-M140 HydrophobicContact SD-SD 3.91Å; F136-M140 HydrophobicContact CD1-CG 4.01Å; F136-M140 HydrophobicContact CD2-CE 4.18Å; F136-M140 HydrophobicContact CE1-CE 4.42Å; F136-M140 HydrophobicContact CE1-CG 3.54Å; F136-M140 HydrophobicContact CE1-SD 3.95Å; F136-M140 HydrophobicContact CE2-CE 3.53Å; F136-M140 HydrophobicContact CE2-CG 4.33Å; F136-M140 HydrophobicContact CE2-SD 4.03Å; F136-M140 HydrophobicContact CZ-CE 3.67Å; F136-M140 HydrophobicContact CZ-CG 3.72Å; F136-M140 HydrophobicContact CZ-SD 3.49Å; F136-M140 WeakPolarHBondContact CZ-SD 3.43Å; F136-M140 WeakPolarHBondContact O-CG 3.35Å; F136-M140 PolarHBondContact O-N 3.45Å; L137-M140 PolarHBondContact O-N 3.48Å; M140-E142 VanDerWaalsContact C-N 3.3Å; M140-E142 PolarHBondContact O-N 3.46Å; M140-L143 HydrophobicContact CE-CD1 3.62Å; M140-L143 PolarHBondContact O-N 3.06Å; M140-E144 WeakPolarHBondContact O-CB 3.45Å; M140-E144 VanDerWaalsContact O-CG 3.28Å; M140-E144 WeakPolarHBondContact O-CG 3.47Å; M140-E144 PolarHBondContact O-N 3.35Å; M140-V157 HydrophobicContact SD-CG1 4.39Å; M140-V157 HydrophobicContact SD-CG2 3.69Å
141I90.3Very high88.3Confident8 Ų848.2 Ų48.24%0.04125%0.245CC..Hα-helixtrans-56.2-44.7174.8-72.8167.2000111.2Y28 L33 T35 L137 V139 E144 K145Y28-I141 HydrophobicContact CD2-CD1 4.03Å; Y28-I141 HydrophobicContact CD2-CG1 3.79Å; Y28-I141 HydrophobicContact CE2-CG1 3.86Å; L33-I141 HydrophobicContact CB-CG2 4.16Å; L33-I141 HydrophobicContact CD2-CG1 4.27Å; L33-I141 VanDerWaalsContact O-CG2 3.25Å; L33-I141 WeakPolarHBondContact O-CG2 3.29Å; T35-I141 HydrophobicContact CG2-CD1 4.31Å; T35-I141 HydrophobicContact CG2-CG2 4.47Å; L137-I141 VanDerWaalsContact O-CG1 3.27Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.35Å; V139-I141 PolarHBondContact O-N 3.03Å; I141-E144 PolarHBondContact O-N 3.41Å; I141-K145 HydrophobicContact CG2-CD 4.35Å; I141-K145 WeakPolarHBondContact O-CG 3.28Å; I141-K145 PolarHBondContact O-N 2.84Å
142E91.3Very high88.6Confident22 Ų2247.8 Ų47.810%0.10324%0.244CC..Hα-helixtrans-69.6-34.8178.9-72.5-56.5122.800113L125 K129 V133 E138 V139 M140 K145 L146L125-E142 HydrophobicContact CD2-CB 3.94Å; K129-E142 WeakPolarHBondContact CD-OE2 3.37Å; K129-E142 VanDerWaalsContact CE-OE2 3.31Å; K129-E142 WeakPolarHBondContact CE-OE2 3.33Å; K129-E142 IonicContact NZ-OE2 2.79Å; K129-E142 PolarHBondContact NZ-OE2 3.03Å; V133-E142 HydrophobicContact CG2-CG 3.92Å; E138-E142 PolarHBondContact O-N 3.13Å; E138-E142 VanDerWaalsContact O-N 3.13Å; V139-E142 PolarHBondContact O-N 3.47Å; M140-E142 VanDerWaalsContact C-N 3.3Å; M140-E142 PolarHBondContact O-N 3.46Å; E142-K145 IonicContact OE1-NZ 3.53Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; E142-L146 VanDerWaalsContact O-CG 3.32Å; E142-L146 WeakPolarHBondContact O-CG 3.49Å; E142-L146 PolarHBondContact O-N 2.79Å
143L89.8Confident88.8Confident1 Ų145.5 Ų45.51%0.00523%0.234CC..Hα-helixtrans-70.4-37174.4-66.2-179.4000112.5L121 T124 L125 V139 M140 L146 D147 L148 V149 L156L121-L143 HydrophobicContact CD1-CD1 3.9Å; L121-L143 HydrophobicContact CD1-CD2 4.24Å; L121-L143 HydrophobicContact CD1-CG 4.4Å; L121-L143 HydrophobicContact CD2-CD1 4.48Å; L121-L143 HydrophobicContact CD2-CD2 4.31Å; T124-L143 HydrophobicContact CG2-CD2 4Å; L125-L143 HydrophobicContact CD2-CD2 4.18Å; V139-L143 HydrophobicContact CG1-CD1 4.19Å; V139-L143 HydrophobicContact CG1-CG 4.38Å; V139-L143 WeakPolarHBondContact O-CG 3.28Å; V139-L143 PolarHBondContact O-N 3.26Å; M140-L143 HydrophobicContact CE-CD1 3.62Å; M140-L143 PolarHBondContact O-N 3.06Å; L143-L146 CarbonylContact O-C 3.58Å; L143-L146 PolarHBondContact O-N 3.38Å; L143-D147 PolarHBondContact O-N 3.22Å; L143-L148 HydrophobicContact CD2-CD1 4.11Å; L143-L148 PolarHBondContact O-N 3.41Å; L143-V149 HydrophobicContact CB-CB 4.16Å; L143-V149 HydrophobicContact CB-CG2 3.75Å; L143-V149 HydrophobicContact CD1-CG2 3.8Å; L143-V149 HydrophobicContact CG-CG2 4.42Å; L143-L156 HydrophobicContact CD1-CD2 4.05Å; L143-L156 HydrophobicContact CD2-CD2 4.18Å
144E88.6Confident89.1Confident16 Ų1645.2 Ų45.28%0.07523%0.232CC..Hα-helixtrans-65.6-40.2175.1-73.7-178.6-117.400111.4Y28 L33 R99 M140 I141 L146 D147 V149Y28-E144 WeakPolarHBondContact CE2-OE1 3.47Å; Y28-E144 PolarHBondContact OH-OE1 3.2Å; L33-E144 HydrophobicContact CD1-CB 4.43Å; L33-E144 HydrophobicContact CD2-CB 4.32Å; R99-E144 IonicContact CZ-OE1 3.74Å; R99-E144 IonicContact CZ-OE2 3.15Å; R99-E144 IonicContact NH1-OE1 2.62Å; R99-E144 PolarHBondContact NH1-OE1 3.31Å; R99-E144 IonicContact NH1-OE2 2.92Å; R99-E144 PolarHBondContact NH1-OE2 2.94Å; R99-E144 IonicContact NH2-OE2 3.69Å; R99-E144 PolarHBondContact NH2-OE2 2.94Å; M140-E144 WeakPolarHBondContact O-CB 3.45Å; M140-E144 VanDerWaalsContact O-CG 3.28Å; M140-E144 WeakPolarHBondContact O-CG 3.47Å; M140-E144 PolarHBondContact O-N 3.35Å; I141-E144 PolarHBondContact O-N 3.41Å; E144-L146 PolarHBondContact O-N 2.68Å; E144-D147 PolarHBondContact O-N 2.8Å; E144-V149 HydrophobicContact CG-CB 4.45Å; E144-V149 WeakPolarHBondContact CG-O 3.3Å
145K84.4Confident89.3Confident98 Ų9842 Ų4243%0.42622%0.219SC..THydrogen-bonded Turntrans-63.9-18.6173.7-72.7173.1-171.11670113.9L33 I141 E142L33-K145 HydrophobicContact CD1-CG 4.31Å; I141-K145 HydrophobicContact CG2-CD 4.35Å; I141-K145 WeakPolarHBondContact O-CG 3.28Å; I141-K145 PolarHBondContact O-N 2.84Å; E142-K145 IonicContact OE1-NZ 3.53Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å
146L84.4Confident89.3Confident74 Ų7442.5 Ų42.539%0.38722%0.22SC..THydrogen-bonded Turntrans-99.35.6176.9-65.9172.8000112.1L125 E142 L143 E144 L148L125-L146 HydrophobicContact CD2-CD1 4.08Å; E142-L146 VanDerWaalsContact O-CG 3.32Å; E142-L146 WeakPolarHBondContact O-CG 3.49Å; E142-L146 PolarHBondContact O-N 2.79Å; L143-L146 CarbonylContact O-C 3.58Å; L143-L146 PolarHBondContact O-N 3.38Å; E144-L146 PolarHBondContact O-N 2.68Å; L146-L148 HydrophobicContact CB-CD1 3.99Å; L146-L148 HydrophobicContact CB-CG 3.96Å; L146-L148 HydrophobicContact CD1-CD1 4.3Å; L146-L148 PolarHBondContact O-N 2.86Å
147D82.4Confident89.2Confident148 Ų14842.5 Ų42.579%0.79122%0.22SC*.THydrogen-bonded Turntrans56.327.1-176-59.9-49000114L143 E144L143-D147 PolarHBondContact O-N 3.22Å; E144-D147 PolarHBondContact O-N 2.8Å
148L84.5Confident89.2Confident67 Ų6743.2 Ų43.235%0.35122%0.223SC..SBendtrans-93-18.3179.8-63.9177.3000113.3T124 L143 L146 L156T124-L148 HydrophobicContact CG2-CD1 3.14Å; L143-L148 HydrophobicContact CD2-CD1 4.11Å; L143-L148 PolarHBondContact O-N 3.41Å; L146-L148 HydrophobicContact CB-CD1 3.99Å; L146-L148 HydrophobicContact CB-CG 3.96Å; L146-L148 HydrophobicContact CD1-CD1 4.3Å; L146-L148 PolarHBondContact O-N 2.86Å; L148-L156 HydrophobicContact CB-CD2 4Å
149V89.4Confident89.3Confident4 Ų446.3 Ų46.32%0.02424%0.24CC..  trans-135.6134.8177178.70000108.2F98 L143 E144 T153 L156 V157F98-V149 HydrophobicContact CE2-CG1 3.93Å; F98-V149 HydrophobicContact CZ-CG1 3.69Å; L143-V149 HydrophobicContact CB-CB 4.16Å; L143-V149 HydrophobicContact CB-CG2 3.75Å; L143-V149 HydrophobicContact CD1-CG2 3.8Å; L143-V149 HydrophobicContact CG-CG2 4.42Å; E144-V149 HydrophobicContact CG-CB 4.45Å; E144-V149 WeakPolarHBondContact CG-O 3.3Å; V149-T153 CarbonylContact C-O 3.46Å; V149-T153 VanDerWaalsContact CA-O 3.31Å; V149-T153 WeakPolarHBondContact CA-O 3.39Å; V149-L156 HydrophobicContact CG2-CB 4.38Å; V149-L156 HydrophobicContact CG2-CD2 4.25Å; V149-V157 HydrophobicContact CB-CG2 4.45Å; V149-V157 HydrophobicContact CG1-CG2 3.72Å; V149-V157 HydrophobicContact CG2-CG2 3.75Å
150S86Confident89.3Confident29 Ų2946.8 Ų46.820%0.20324%0.244CC..  trans-149.3175.5175.6840000109.8F98 E152 T153 V154F98-S150 VanDerWaalsContact CE2-O 3.31Å; F98-S150 WeakPolarHBondContact CE2-O 3.35Å; S150-E152 PolarHBondContact O-N 3.45Å; S150-E152 PolarHBondContact OG-N 3.49Å; S150-E152 VanDerWaalsContact OG-N 3.17Å; S150-E152 PolarHBondContact OG-OE2 3.14Å; S150-T153 PolarHBondContact N-O 3.1Å; S150-T153 CarbonylContact O-C 3.55Å; S150-T153 PolarHBondContact O-N 3.42Å; S150-T153 VanDerWaalsContact O-O 3.06Å; S150-T153 PolarHBondContact OG-N 3.02Å; S150-T153 PolarHBondContact OG-OG1 2.87Å; S150-V154 WeakPolarHBondContact O-CG1 3.4Å
151P82.3Confident89.4Confident56 Ų5646.7 Ų46.736%0.36424%0.243SC..SBendtrans-54.8-29.3171.2-25.335.6000114.3F98 Y176F98-P151 HydrophobicContact CB-CB 3.93Å; F98-P151 HydrophobicContact CB-CG 4Å; F98-P151 HydrophobicContact CD1-CG 4.15Å; F98-P151 HydrophobicContact CD2-CB 4.46Å; F98-P151 HydrophobicContact CG-CB 4.17Å; F98-P151 HydrophobicContact CG-CG 4Å; P151-Y176 VanDerWaalsContact O-CE1 3.31Å; P151-Y176 WeakPolarHBondContact O-CE1 3.26Å; P151-Y176 PolarHBondContact O-OH 3.29Å
152E83.8Confident89.7Confident146 Ų14651.9 Ų51.968%0.68226%0.262SS*.SBendtrans-93.3-25.7178.6-53.971.7-154.700112.6S150S150-E152 PolarHBondContact O-N 3.45Å; S150-E152 PolarHBondContact OG-N 3.49Å; S150-E152 VanDerWaalsContact OG-N 3.17Å; S150-E152 PolarHBondContact OG-OE2 3.14Å
153T86Confident89.9Confident60 Ų6056.4 Ų56.437%0.36829%0.287SS..  trans-114.492.7-174.6-45.90000110V149 S150 E155V149-T153 CarbonylContact C-O 3.46Å; V149-T153 VanDerWaalsContact CA-O 3.31Å; V149-T153 WeakPolarHBondContact CA-O 3.39Å; S150-T153 PolarHBondContact N-O 3.1Å; S150-T153 CarbonylContact O-C 3.55Å; S150-T153 PolarHBondContact O-N 3.42Å; S150-T153 VanDerWaalsContact O-O 3.06Å; S150-T153 PolarHBondContact OG-N 3.02Å; S150-T153 PolarHBondContact OG-OG1 2.87Å; T153-E155 WeakPolarHBondContact CA-OE2 3.41Å
154V92.9Very high90.2Very high2 Ų257.3 Ų57.31%0.01229%0.292CS..  trans-122.86.6-175.6-73.80000113F98 M102 S150 V157 E158 V173 Y176 K177F98-V154 HydrophobicContact CD2-CG1 4.07Å; F98-V154 HydrophobicContact CE2-CG1 3.85Å; M102-V154 HydrophobicContact CE-CG1 4.19Å; S150-V154 WeakPolarHBondContact O-CG1 3.4Å; V154-V157 PolarHBondContact O-N 2.86Å; V154-E158 PolarHBondContact O-N 2.89Å; V154-V173 HydrophobicContact CB-CG1 3.96Å; V154-V173 HydrophobicContact CG2-CG1 4.15Å; V154-Y176 HydrophobicContact CG1-CD1 4.39Å; V154-Y176 HydrophobicContact CG1-CE1 4.07Å; V154-Y176 HydrophobicContact CG2-CD1 4.26Å; V154-Y176 HydrophobicContact CG2-CE1 4.37Å; V154-K177 HydrophobicContact CG2-CD 3.95Å; V154-K177 VanDerWaalsContact CG2-CE 3.5Å; V154-K177 HydrophobicContact CG2-CG 3.6Å
155E92.3Very high90.4Very high82 Ų8259 Ų5938%0.38331%0.313SS..Hα-helixtrans-58.6-50.5-179.5-71.154.6-11900110.5T153 V157 E158 D159 K177T153-E155 WeakPolarHBondContact CA-OE2 3.41Å; E155-V157 PolarHBondContact O-N 2.83Å; E155-E158 PolarHBondContact O-N 3.46Å; E155-E158 VanDerWaalsContact O-N 3.14Å; E155-D159 WeakPolarHBondContact O-CB 3.35Å; E155-D159 VanDerWaalsContact O-CG 3.31Å; E155-D159 PolarHBondContact O-N 2.87Å; E155-K177 IonicContact OE1-NZ 2.71Å; E155-K177 PolarHBondContact OE1-NZ 3.41Å
156L92.7Very high91Very high48 Ų4856.2 Ų56.225%0.25130%0.3SS..Hα-helixtrans-58.9-38.8-179.9-176.861.3000111.8L121 L143 L148 V149 C160L121-L156 HydrophobicContact CD2-CD1 4.15Å; L121-L156 HydrophobicContact CD2-CD2 4.23Å; L121-L156 HydrophobicContact CD2-CG 4.36Å; L143-L156 HydrophobicContact CD1-CD2 4.05Å; L143-L156 HydrophobicContact CD2-CD2 4.18Å; L148-L156 HydrophobicContact CB-CD2 4Å; V149-L156 HydrophobicContact CG2-CB 4.38Å; V149-L156 HydrophobicContact CG2-CD2 4.25Å; L156-C160 WeakPolarHBondContact O-CB 3.33Å; L156-C160 PolarHBondContact O-N 2.8Å; L156-C160 PolarHBondContact O-SG 3.11Å
157V94.6Very high91.4Very high3 Ų356.6 Ų56.62%0.01830%0.302CS..Hα-helixtrans-68-46177.9-176.20000110.8M102 I105 F136 M140 V149 V154 E155 D159 C160 L161 V173M102-V157 HydrophobicContact CE-CB 4.35Å; M102-V157 HydrophobicContact CE-CG1 4.07Å; M102-V157 HydrophobicContact CE-CG2 3.99Å; M102-V157 HydrophobicContact SD-CG1 4.16Å; I105-V157 HydrophobicContact CD1-CG1 4.5Å; F136-V157 HydrophobicContact CZ-CG1 4.04Å; M140-V157 HydrophobicContact SD-CG1 4.39Å; M140-V157 HydrophobicContact SD-CG2 3.69Å; V149-V157 HydrophobicContact CB-CG2 4.45Å; V149-V157 HydrophobicContact CG1-CG2 3.72Å; V149-V157 HydrophobicContact CG2-CG2 3.75Å; V154-V157 PolarHBondContact O-N 2.86Å; E155-V157 PolarHBondContact O-N 2.83Å; V157-D159 VanDerWaalsContact C-N 3.35Å; V157-D159 PolarHBondContact O-N 2.71Å; V157-C160 PolarHBondContact O-N 2.75Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 VanDerWaalsContact O-CG 3.26Å; V157-L161 WeakPolarHBondContact O-CG 3.5Å; V157-L161 PolarHBondContact O-N 2.85Å; V157-V173 HydrophobicContact CG1-CG2 4.27Å
158E95.1Very high92Very high22 Ų2253.1 Ų53.110%0.10328%0.284CS..Hα-helixtrans-60.1-45.8176.4-168.9-175.1165.300111.4V154 E155 L161 R162 A170 V173 K177V154-E158 PolarHBondContact O-N 2.89Å; E155-E158 PolarHBondContact O-N 3.46Å; E155-E158 VanDerWaalsContact O-N 3.14Å; E158-L161 PolarHBondContact O-N 2.88Å; E158-R162 WeakPolarHBondContact O-CG 3.49Å; E158-R162 PolarHBondContact O-N 3.19Å; E158-R162 IonicContact OE1-CZ 3.68Å; E158-R162 IonicContact OE1-NE 3.21Å; E158-R162 PolarHBondContact OE1-NE 3.19Å; E158-R162 IonicContact OE1-NH2 2.78Å; E158-R162 PolarHBondContact OE1-NH2 3.03Å; E158-A170 HydrophobicContact CG-CB 4.19Å; E158-V173 HydrophobicContact CB-CB 4.29Å; E158-V173 HydrophobicContact CB-CG1 3.87Å; E158-V173 HydrophobicContact CG-CB 4.47Å; E158-V173 HydrophobicContact CG-CG1 4.45Å; E158-K177 WeakPolarHBondContact OE2-CE 3.23Å; E158-K177 IonicContact OE2-NZ 3.92Å; E158-K177 PolarHBondContact OE2-NZ 2.91Å
159D94.8Very high92.5Very high83 Ų8350.2 Ų50.244%0.44427%0.268SS..Hα-helixtrans-63.5-44.4-179.7-72.3-18.7000111.2E155 V157 L161 R162 N163E155-D159 WeakPolarHBondContact O-CB 3.35Å; E155-D159 VanDerWaalsContact O-CG 3.31Å; E155-D159 PolarHBondContact O-N 2.87Å; V157-D159 VanDerWaalsContact C-N 3.35Å; V157-D159 PolarHBondContact O-N 2.71Å; D159-L161 PolarHBondContact O-N 2.94Å; D159-R162 PolarHBondContact O-N 3.02Å; D159-N163 WeakPolarHBondContact O-CB 3.33Å; D159-N163 VanDerWaalsContact O-CG 3.27Å; D159-N163 PolarHBondContact O-N 3.23Å; D159-N163 PolarHBondContact O-ND2 2.81Å
160C95.6Very high92.7Very high11 Ų1150.1 Ų50.17%0.07427%0.268CS..Hα-helixtrans-56.4-49.1172.9-77.10000111.4I117 L156 V157 R162 N163 I164I117-C160 HydrophobicContact CG1-CB 4.4Å; I117-C160 HydrophobicContact CG2-CB 4.32Å; L156-C160 WeakPolarHBondContact O-CB 3.33Å; L156-C160 PolarHBondContact O-N 2.8Å; L156-C160 PolarHBondContact O-SG 3.11Å; V157-C160 PolarHBondContact O-N 2.75Å; C160-R162 PolarHBondContact O-N 3.31Å; C160-N163 PolarHBondContact O-N 3.24Å; C160-I164 WeakPolarHBondContact O-CG1 3.44Å; C160-I164 PolarHBondContact O-N 3.01Å; C160-I164 VanDerWaalsContact O-N 3.09Å
161L97.3Very high93.1Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-63.7-38.2-179.4-69.1169.6000112.6I105 L109 I117 V157 E158 D159 I164 G165 R166 L169 A170 V173I105-L161 HydrophobicContact CD1-CD1 4.23Å; I105-L161 HydrophobicContact CG2-CD1 4.27Å; I105-L161 HydrophobicContact CG2-CD2 4.24Å; L109-L161 HydrophobicContact CD1-CD2 4.43Å; L109-L161 HydrophobicContact CD2-CD2 3.97Å; I117-L161 HydrophobicContact CD1-CD2 4.33Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 VanDerWaalsContact O-CG 3.26Å; V157-L161 WeakPolarHBondContact O-CG 3.5Å; V157-L161 PolarHBondContact O-N 2.85Å; E158-L161 PolarHBondContact O-N 2.88Å; D159-L161 PolarHBondContact O-N 2.94Å; L161-I164 HydrophobicContact CD2-CD1 4.41Å; L161-I164 WeakPolarHBondContact O-CG1 3.43Å; L161-G165 PolarHBondContact O-N 3.43Å; L161-R166 HydrophobicContact CD2-CB 4.27Å; L161-R166 WeakPolarHBondContact O-CA 3.36Å; L161-R166 PolarHBondContact O-N 3.34Å; L161-L169 HydrophobicContact CD1-CB 3.88Å; L161-L169 HydrophobicContact CD2-CB 4.02Å; L161-L169 HydrophobicContact CD2-CD1 4.13Å; L161-L169 HydrophobicContact CG-CB 4.44Å; L161-A170 HydrophobicContact CB-CB 4.04Å; L161-V173 HydrophobicContact CD1-CG2 3.73Å
162R96.4Very high93.6Very high118 Ų11857.1 Ų57.145%0.44529%0.289SS..Hα-helixtrans-65.1-44174.6-73.6177177.5-83.40.9111.7E158 D159 C160 I164 G165 L167 A170E158-R162 WeakPolarHBondContact O-CG 3.49Å; E158-R162 PolarHBondContact O-N 3.19Å; E158-R162 IonicContact OE1-CZ 3.68Å; E158-R162 IonicContact OE1-NE 3.21Å; E158-R162 PolarHBondContact OE1-NE 3.19Å; E158-R162 IonicContact OE1-NH2 2.78Å; E158-R162 PolarHBondContact OE1-NH2 3.03Å; D159-R162 PolarHBondContact O-N 3.02Å; C160-R162 PolarHBondContact O-N 3.31Å; R162-I164 VanDerWaalsContact C-N 3.32Å; R162-I164 PolarHBondContact O-N 3Å; R162-G165 PolarHBondContact O-N 3.36Å; R162-L167 HydrophobicContact CG-CD2 4.35Å; R162-A170 HydrophobicContact CG-CB 3.62Å
163N94.9Very high93.9Very high117 Ų11750.1 Ų50.163%0.62626%0.256SS*.Hα-helixtrans-67-31.8-177.9-76.9-48000112.9L120 D159 C160 G165L120-N163 HydrophobicContact CD1-CB 3.53Å; L120-N163 HydrophobicContact CD2-CB 4.28Å; D159-N163 WeakPolarHBondContact O-CB 3.33Å; D159-N163 VanDerWaalsContact O-CG 3.27Å; D159-N163 PolarHBondContact O-N 3.23Å; D159-N163 PolarHBondContact O-ND2 2.81Å; C160-N163 PolarHBondContact O-N 3.24Å; N163-G165 VanDerWaalsContact C-N 3.27Å
164I95.9Very high94.1Very high19 Ų1948.5 Ų48.510%0.09725%0.249CC..THydrogen-bonded Turntrans-84.84.1172.368.7157.8000113.5L109 D113 Q116 I117 L120 C160 L161 R162 R166L109-I164 HydrophobicContact CD2-CD1 4.11Å; D113-I164 HydrophobicContact CB-CD1 3.77Å; Q116-I164 HydrophobicContact CB-CB 4.36Å; Q116-I164 HydrophobicContact CB-CG2 3.59Å; I117-I164 HydrophobicContact CD1-CD1 3.84Å; I117-I164 HydrophobicContact CG1-CD1 3.9Å; I117-I164 HydrophobicContact CG1-CG1 4.46Å; I117-I164 HydrophobicContact CG1-CG2 3.98Å; L120-I164 HydrophobicContact CD1-CG2 3.65Å; C160-I164 WeakPolarHBondContact O-CG1 3.44Å; C160-I164 PolarHBondContact O-N 3.01Å; C160-I164 VanDerWaalsContact O-N 3.09Å; L161-I164 HydrophobicContact CD2-CD1 4.41Å; L161-I164 WeakPolarHBondContact O-CG1 3.43Å; R162-I164 VanDerWaalsContact C-N 3.32Å; R162-I164 PolarHBondContact O-N 3Å; I164-R166 VanDerWaalsContact C-N 3.34Å; I164-R166 HydrophobicContact CD1-CB 4.06Å; I164-R166 HydrophobicContact CD1-CG 3.55Å; I164-R166 HydrophobicContact CG1-CB 4.08Å; I164-R166 HydrophobicContact CG1-CG 3.93Å; I164-R166 PolarHBondContact O-N 3.19Å
165G92.9Very high93.9Very high51 Ų5151 Ų5153%0.52627%0.27SS..THydrogen-bonded Turntrans796.5178.200000115.7L161 R162 N163 L167L161-G165 PolarHBondContact O-N 3.43Å; R162-G165 PolarHBondContact O-N 3.36Å; N163-G165 VanDerWaalsContact C-N 3.27Å; G165-L167 PolarHBondContact O-N 2.96Å
166R96.2Very high93.5Very high41 Ų4149.1 Ų49.116%0.15526%0.26CS..  trans-81.263.4175.8-69.4-58.5-55.6-88.82.8111.9N108 L109 D113 L161 I164 D168 L169 A170N108-R166 VanDerWaalsContact O-CZ 3.26Å; N108-R166 PolarHBondContact O-NH1 3.1Å; N108-R166 PolarHBondContact O-NH2 3.44Å; L109-R166 HydrophobicContact CD2-CG 4.25Å; D113-R166 IonicContact OD2-NH1 2.68Å; D113-R166 PolarHBondContact OD2-NH1 2.91Å; L161-R166 HydrophobicContact CD2-CB 4.27Å; L161-R166 WeakPolarHBondContact O-CA 3.36Å; L161-R166 PolarHBondContact O-N 3.34Å; I164-R166 VanDerWaalsContact C-N 3.34Å; I164-R166 HydrophobicContact CD1-CB 4.06Å; I164-R166 HydrophobicContact CD1-CG 3.55Å; I164-R166 HydrophobicContact CG1-CB 4.08Å; I164-R166 HydrophobicContact CG1-CG 3.93Å; I164-R166 PolarHBondContact O-N 3.19Å; R166-D168 WeakPolarHBondContact CA-OD1 3.34Å; R166-D168 IonicContact CZ-OD1 2.79Å; R166-D168 IonicContact CZ-OD2 2.8Å; R166-D168 IonicContact NE-OD1 2.97Å; R166-D168 PolarHBondContact NE-OD1 3.48Å; R166-D168 IonicContact NE-OD2 3.79Å; R166-D168 IonicContact NH2-OD1 2.77Å; R166-D168 IonicContact NH2-OD2 3.79Å; R166-D168 PolarHBondContact NH2-OD2 2.99Å; R166-D168 PolarHBondContact O-N 3.11Å; R166-L169 HydrophobicContact CB-CB 4.39Å; R166-L169 HydrophobicContact CB-CD1 4.34Å; R166-L169 HydrophobicContact CB-CG 4.48Å; R166-L169 VanDerWaalsContact CZ-CD1 3.43Å; R166-L169 VanDerWaalsContact NH2-CD1 3.26Å; R166-L169 PolarHBondContact O-N 3.19Å; R166-A170 PolarHBondContact O-N 3.44Å
167L94Very high93.1Very high82 Ų8249.4 Ų49.443%0.42926%0.259SS..Hα-helixtrans-64.8-26.6-177.9-58.7-176.9000113R162 G165 R171R162-L167 HydrophobicContact CG-CD2 4.35Å; G165-L167 PolarHBondContact O-N 2.96Å; L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 WeakPolarHBondContact O-CG 3.39Å; L167-R171 PolarHBondContact O-N 3.2Å
168D93.9Very high92.1Very high75 Ų7555.7 Ų55.740%0.40129%0.29SS..Hα-helixtrans-61-48.6172.160.8-48000111.2R166 R171 T172R166-D168 WeakPolarHBondContact CA-OD1 3.34Å; R166-D168 IonicContact CZ-OD1 2.79Å; R166-D168 IonicContact CZ-OD2 2.8Å; R166-D168 IonicContact NE-OD1 2.97Å; R166-D168 PolarHBondContact NE-OD1 3.48Å; R166-D168 IonicContact NE-OD2 3.79Å; R166-D168 IonicContact NH2-OD1 2.77Å; R166-D168 IonicContact NH2-OD2 3.79Å; R166-D168 PolarHBondContact NH2-OD2 2.99Å; R166-D168 PolarHBondContact O-N 3.11Å; D168-R171 PolarHBondContact O-N 3.2Å; D168-T172 PolarHBondContact O-N 2.77Å; D168-T172 PolarHBondContact O-OG1 3.07Å
169L95.5Very high90.7Very high6 Ų656.6 Ų56.63%0.03130%0.298CS..Hα-helixtrans-75-36.5179.1-59.4-178.7000112.2I105 N108 L109 L161 R166 R171 T172 V173I105-L169 HydrophobicContact CG2-CD1 4.2Å; N108-L169 HydrophobicContact CB-CD1 4.29Å; N108-L169 HydrophobicContact CB-CD2 3.73Å; L109-L169 HydrophobicContact CD2-CD1 3.53Å; L109-L169 HydrophobicContact CG-CD1 3.72Å; L161-L169 HydrophobicContact CD1-CB 3.88Å; L161-L169 HydrophobicContact CD2-CB 4.02Å; L161-L169 HydrophobicContact CD2-CD1 4.13Å; L161-L169 HydrophobicContact CG-CB 4.44Å; R166-L169 HydrophobicContact CB-CB 4.39Å; R166-L169 HydrophobicContact CB-CD1 4.34Å; R166-L169 HydrophobicContact CB-CG 4.48Å; R166-L169 VanDerWaalsContact CZ-CD1 3.43Å; R166-L169 VanDerWaalsContact NH2-CD1 3.26Å; R166-L169 PolarHBondContact O-N 3.19Å; L169-R171 VanDerWaalsContact C-N 3.27Å; L169-R171 PolarHBondContact O-N 3.41Å; L169-T172 WeakPolarHBondContact O-CA 3.31Å; L169-T172 VanDerWaalsContact O-CB 3.29Å; L169-T172 WeakPolarHBondContact O-CB 3.47Å; L169-T172 PolarHBondContact O-N 3.03Å; L169-V173 PolarHBondContact O-N 3.04Å
170A94.8Very high88.6Confident1 Ų154.7 Ų54.71%0.00830%0.298CS..Hα-helixtrans-59.8-39.2172.800000111.6E158 L161 R162 R166 T172 V173 A174E158-A170 HydrophobicContact CG-CB 4.19Å; L161-A170 HydrophobicContact CB-CB 4.04Å; R162-A170 HydrophobicContact CG-CB 3.62Å; R166-A170 PolarHBondContact O-N 3.44Å; A170-T172 VanDerWaalsContact C-N 3.32Å; A170-T172 PolarHBondContact O-N 3.23Å; A170-V173 PolarHBondContact O-N 3.46Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.04Å
171R92.8Very high85.7Confident174 Ų17457.7 Ų57.766%0.65732%0.324SS*.Hα-helixtrans-64.6-35.4172-74.7170.7-166.1165.85.2112.2L167 D168 L169 A174 A175L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 WeakPolarHBondContact O-CG 3.39Å; L167-R171 PolarHBondContact O-N 3.2Å; D168-R171 PolarHBondContact O-N 3.2Å; L169-R171 VanDerWaalsContact C-N 3.27Å; L169-R171 PolarHBondContact O-N 3.41Å; R171-A174 PolarHBondContact O-N 3.43Å; R171-A175 VanDerWaalsContact O-CB 3.25Å; R171-A175 WeakPolarHBondContact O-CB 3.45Å; R171-A175 PolarHBondContact O-N 2.86Å
172T92.6Very high82.9Confident58 Ų5861.4 Ų61.436%0.35635%0.347SS..Hα-helixtrans-63.4-41.6173.7-55.20000111.3L101 D168 L169 A170 A175 Y176L101-T172 HydrophobicContact CD1-CG2 3.71Å; D168-T172 PolarHBondContact O-N 2.77Å; D168-T172 PolarHBondContact O-OG1 3.07Å; L169-T172 WeakPolarHBondContact O-CA 3.31Å; L169-T172 VanDerWaalsContact O-CB 3.29Å; L169-T172 WeakPolarHBondContact O-CB 3.47Å; L169-T172 PolarHBondContact O-N 3.03Å; A170-T172 VanDerWaalsContact C-N 3.32Å; A170-T172 PolarHBondContact O-N 3.23Å; T172-A175 PolarHBondContact O-N 2.82Å; T172-Y176 PolarHBondContact O-N 2.68Å
173V91.6Very high80Confident0 Ų058.7 Ų58.70%035%0.346CS..Hα-helixtrans-65.5-44.7172.9-179.60000111.1I105 V154 V157 E158 L161 L169 A170 A175 Y176 K177I105-V173 HydrophobicContact CD1-CG2 3.47Å; I105-V173 VanDerWaalsContact CD1-CG2 3.47Å; V154-V173 HydrophobicContact CB-CG1 3.96Å; V154-V173 HydrophobicContact CG2-CG1 4.15Å; V157-V173 HydrophobicContact CG1-CG2 4.27Å; E158-V173 HydrophobicContact CB-CB 4.29Å; E158-V173 HydrophobicContact CB-CG1 3.87Å; E158-V173 HydrophobicContact CG-CB 4.47Å; E158-V173 HydrophobicContact CG-CG1 4.45Å; L161-V173 HydrophobicContact CD1-CG2 3.73Å; L169-V173 PolarHBondContact O-N 3.04Å; A170-V173 PolarHBondContact O-N 3.46Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 2.77Å; V173-Y176 WeakPolarHBondContact O-CA 3.5Å; V173-Y176 VanDerWaalsContact O-CB 3.29Å; V173-Y176 WeakPolarHBondContact O-CB 3.29Å; V173-Y176 PolarHBondContact O-N 3.42Å; V173-Y176 VanDerWaalsContact O-N 3.09Å; V173-K177 WeakPolarHBondContact O-CG 3.39Å; V173-K177 PolarHBondContact O-N 3.37Å
174A89.9Confident77.4Confident25 Ų2558.5 Ų58.521%0.20734%0.341CS..Hα-helixtrans-61.3-40175.600000111.8A170 R171 Y176 K177 M178A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.04Å; R171-A174 PolarHBondContact O-N 3.43Å; A174-Y176 VanDerWaalsContact C-N 3.31Å; A174-Y176 PolarHBondContact O-N 2.9Å; A174-K177 WeakPolarHBondContact O-CB 3.17Å; A174-K177 PolarHBondContact O-N 2.82Å; A174-M178 WeakPolarHBondContact O-CB 3.46Å; A174-M178 VanDerWaalsContact O-CG 3.24Å; A174-M178 WeakPolarHBondContact O-CG 2.9Å; A174-M178 PolarHBondContact O-N 2.84Å
175A87.3Confident74.5Confident56 Ų5665.3 Ų65.346%0.46337%0.372SS..Hα-helixtrans-64.2-36.5174.200000111.5R171 T172 V173 M178 S179R171-A175 VanDerWaalsContact O-CB 3.25Å; R171-A175 WeakPolarHBondContact O-CB 3.45Å; R171-A175 PolarHBondContact O-N 2.86Å; T172-A175 PolarHBondContact O-N 2.82Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 2.77Å; A175-M178 PolarHBondContact O-N 3.13Å; A175-S179 WeakPolarHBondContact O-CB 3.42Å; A175-S179 PolarHBondContact O-N 2.87Å; A175-S179 PolarHBondContact O-OG 3.14Å; A175-S179 VanDerWaalsContact O-OG 3.1Å
176Y85.9Confident71.3Confident42 Ų4266.1 Ų66.117%0.16537%0.37CS..Hα-helixtrans-59.4-48.1170.3172.3-92.7000111.1R97 L101 P151 V154 T172 V173 A174 M178 S179 G180R97-Y176 HydrophobicContact CB-CE2 4.02Å; L101-Y176 HydrophobicContact CB-CD2 4.44Å; L101-Y176 HydrophobicContact CD2-CD1 3.84Å; L101-Y176 HydrophobicContact CD2-CD2 3.85Å; L101-Y176 HydrophobicContact CD2-CE1 4.4Å; L101-Y176 HydrophobicContact CD2-CE2 4.41Å; L101-Y176 HydrophobicContact CD2-CG 3.54Å; P151-Y176 VanDerWaalsContact O-CE1 3.31Å; P151-Y176 WeakPolarHBondContact O-CE1 3.26Å; P151-Y176 PolarHBondContact O-OH 3.29Å; V154-Y176 HydrophobicContact CG1-CD1 4.39Å; V154-Y176 HydrophobicContact CG1-CE1 4.07Å; V154-Y176 HydrophobicContact CG2-CD1 4.26Å; V154-Y176 HydrophobicContact CG2-CE1 4.37Å; T172-Y176 PolarHBondContact O-N 2.68Å; V173-Y176 WeakPolarHBondContact O-CA 3.5Å; V173-Y176 VanDerWaalsContact O-CB 3.29Å; V173-Y176 WeakPolarHBondContact O-CB 3.29Å; V173-Y176 PolarHBondContact O-N 3.42Å; V173-Y176 VanDerWaalsContact O-N 3.09Å; A174-Y176 VanDerWaalsContact C-N 3.31Å; A174-Y176 PolarHBondContact O-N 2.9Å; Y176-M178 PolarHBondContact O-N 3.29Å; Y176-S179 WeakPolarHBondContact CA-OG 3.38Å; Y176-S179 CarbonylContact O-C 3.54Å; Y176-S179 PolarHBondContact O-N 2.84Å; Y176-S179 PolarHBondContact O-OG 3.34Å; Y176-G180 PolarHBondContact O-N 2.92Å
177K83.5Confident68.2Low53 Ų5372.1 Ų72.123%0.2340%0.404CS..Hα-helixtrans-60.2-44.6175.1-59-174.3-152.9-160.80112.9V154 E155 E158 V173 A174 G180 A181V154-K177 HydrophobicContact CG2-CD 3.95Å; V154-K177 VanDerWaalsContact CG2-CE 3.5Å; V154-K177 HydrophobicContact CG2-CG 3.6Å; E155-K177 IonicContact OE1-NZ 2.71Å; E155-K177 PolarHBondContact OE1-NZ 3.41Å; E158-K177 WeakPolarHBondContact OE2-CE 3.23Å; E158-K177 IonicContact OE2-NZ 3.92Å; E158-K177 PolarHBondContact OE2-NZ 2.91Å; V173-K177 WeakPolarHBondContact O-CG 3.39Å; V173-K177 PolarHBondContact O-N 3.37Å; A174-K177 WeakPolarHBondContact O-CB 3.17Å; A174-K177 PolarHBondContact O-N 2.82Å; K177-G180 CarbonylContact O-C 3.59Å; K177-G180 VanDerWaalsContact O-C 3.25Å; K177-G180 VanDerWaalsContact O-CA 3.31Å; K177-G180 WeakPolarHBondContact O-CA 3.49Å; K177-G180 PolarHBondContact O-N 3.1Å; K177-A181 PolarHBondContact O-N 3.43Å
178M73.9Confident65.2Low135 Ų13573.6 Ų73.667%0.66542%0.419SS*.Hα-helixtrans-70.5-34.7-179.8-66.7-59.8-68.100111.9A174 A175 Y176 G180 A181 T182A174-M178 WeakPolarHBondContact O-CB 3.46Å; A174-M178 VanDerWaalsContact O-CG 3.24Å; A174-M178 WeakPolarHBondContact O-CG 2.9Å; A174-M178 PolarHBondContact O-N 2.84Å; A175-M178 PolarHBondContact O-N 3.13Å; Y176-M178 PolarHBondContact O-N 3.29Å; M178-G180 PolarHBondContact O-N 3.48Å; M178-A181 WeakPolarHBondContact O-CB 3.33Å; M178-A181 PolarHBondContact O-N 3.5Å; M178-T182 PolarHBondContact O-N 2.85Å
179S65.8Low62.3Low41 Ų4176 Ų7629%0.28744%0.439SS..Hα-helixtrans-71.5-11.3170.178.60000113.1R97 A175 Y176 T182R97-S179 PolarHBondContact NH2-OG 2.99Å; R97-S179 VanDerWaalsContact NH2-OG 3.13Å; A175-S179 WeakPolarHBondContact O-CB 3.42Å; A175-S179 PolarHBondContact O-N 2.87Å; A175-S179 PolarHBondContact O-OG 3.14Å; A175-S179 VanDerWaalsContact O-OG 3.1Å; Y176-S179 WeakPolarHBondContact CA-OG 3.38Å; Y176-S179 CarbonylContact O-C 3.54Å; Y176-S179 PolarHBondContact O-N 2.84Å; Y176-S179 PolarHBondContact O-OG 3.34Å; S179-T182 CarbonylContact C-O 3.46Å; S179-T182 PolarHBondContact O-OG1 2.85Å
180G49Very low59.3Low43 Ų4384 Ų8444%0.44348%0.476SS..THydrogen-bonded Turntrans-99.2-4.9164.900000114.3Y176 K177 M178 T182 S183Y176-G180 PolarHBondContact O-N 2.92Å; K177-G180 CarbonylContact O-C 3.59Å; K177-G180 VanDerWaalsContact O-C 3.25Å; K177-G180 VanDerWaalsContact O-CA 3.31Å; K177-G180 WeakPolarHBondContact O-CA 3.49Å; K177-G180 PolarHBondContact O-N 3.1Å; M178-G180 PolarHBondContact O-N 3.48Å; G180-T182 VanDerWaalsContact C-C 3.45Å; G180-T182 CarbonylContact C-O 3.13Å; G180-T182 VanDerWaalsContact CA-O 3.29Å; G180-T182 WeakPolarHBondContact CA-O 3.4Å; G180-T182 CarbonylContact O-C 3.53Å; G180-S183 VanDerWaalsContact O-CA 3.31Å; G180-S183 WeakPolarHBondContact O-CA 3.33Å; G180-S183 PolarHBondContact O-N 2.78Å
181A36.5Very low56.2Low74 Ų7491.9 Ų91.961%0.61251%0.512SS*.THydrogen-bonded Turntrans-93.1-20.8176.400000113.2K177 M178K177-A181 PolarHBondContact O-N 3.43Å; M178-A181 WeakPolarHBondContact O-CB 3.33Å; M178-A181 PolarHBondContact O-N 3.5Å
182T38.3Very low53.6Low78 Ų7889.3 Ų89.348%0.47952%0.521SS..SBend-74.3106.312943.50000104.4M178 S179 G180 E184 S186M178-T182 PolarHBondContact O-N 2.85Å; S179-T182 CarbonylContact C-O 3.46Å; S179-T182 PolarHBondContact O-OG1 2.85Å; G180-T182 VanDerWaalsContact C-C 3.45Å; G180-T182 CarbonylContact C-O 3.13Å; G180-T182 VanDerWaalsContact CA-O 3.29Å; G180-T182 WeakPolarHBondContact CA-O 3.4Å; G180-T182 CarbonylContact O-C 3.53Å; T182-E184 PolarHBondContact O-N 2.75Å; T182-S186 WeakPolarHBondContact CA-OG 3.43Å
183S35.3Very low50.6Low62 Ų6289.9 Ų89.943%0.43454%0.538SS..  trans-45.8151173.9490000108.7G180 H185 S186G180-S183 VanDerWaalsContact O-CA 3.31Å; G180-S183 WeakPolarHBondContact O-CA 3.33Å; G180-S183 PolarHBondContact O-N 2.78Å; S183-H185 CarbonylContact O-C 3.29Å; S183-H185 WeakPolarHBondContact O-CA 3.44Å; S183-H185 PolarHBondContact O-N 3.31Å; S183-H185 VanDerWaalsContact OG-C 3.24Å; S183-H185 PolarHBondContact OG-O 3.21Å; S183-S186 PolarHBondContact N-OG 3.37Å; S183-S186 VanDerWaalsContact N-OG 3.11Å; S183-S186 PolarHBondContact O-N 2.92Å; S183-S186 PolarHBondContact OG-OG 3.05Å
184E40.7Very low47.7Very low112 Ų11299.1 Ų99.152%0.52358%0.581SS.*SBendtrans-47.9108.2149.9-62.1-159.8131.900105.9Q93 R97 T182Q93-E184 PolarHBondContact NE2-OE1 3.48Å; Q93-E184 VanDerWaalsContact NE2-OE1 3.09Å; R97-E184 WeakPolarHBondContact CD-OE1 3.37Å; R97-E184 IonicContact CZ-OE1 2.84Å; R97-E184 IonicContact NH1-OE1 2.69Å; R97-E184 PolarHBondContact NH1-OE1 3.36Å; R97-E184 VanDerWaalsContact NH1-OE1 3.15Å; T182-E184 PolarHBondContact O-N 2.75Å
185H34.8Very low45.2Very low162 Ų162103.4 Ų103.475%0.7562%0.617SS**SBendtrans75.883.2-155.1-61.5-54.1000120.7S183S183-H185 CarbonylContact O-C 3.29Å; S183-H185 WeakPolarHBondContact O-CA 3.44Å; S183-H185 PolarHBondContact O-N 3.31Å; S183-H185 VanDerWaalsContact OG-C 3.24Å; S183-H185 PolarHBondContact OG-O 3.21Å
186S25.9Very low42.7Very low68 Ų68105 Ų10548%0.47663%0.63SS.*  trans-133.4121.1146.5-34.10000111.3T182 S183T182-S186 WeakPolarHBondContact CA-OG 3.43Å; S183-S186 PolarHBondContact N-OG 3.37Å; S183-S186 VanDerWaalsContact N-OG 3.11Å; S183-S186 PolarHBondContact O-N 2.92Å; S183-S186 PolarHBondContact OG-OG 3.05Å
187L30.5Very low40.5Very low168 Ų168108.4 Ų108.488%0.8866%0.66SS**PPolyproline II helixtrans-85.5159.3163.4-84.8160.3000109.4
188P30.9Very low38.8Very low112 Ų112113.6 Ų113.673%0.72769%0.685SS**PPolyproline II helixtrans-74.7149.3-159.730.2-34.7000113.5
189P32.4Very low37.8Very low127 Ų127111.4 Ų111.483%0.82568%0.681SS**PPolyproline II helixtrans-83.9126.917732.4-29.8000110.8
190Q32.4Very low38.4Very low172 Ų172114.8 Ų114.880%0.80470%0.696SS**  trans-128.7132.1149.6-75.6-166.6-1200109.5
191H29.8Very low40.3Very low168 Ų168116.2 Ų116.278%0.77869%0.691SS**  trans85.995.5174-57.7-65.4000118.3
192S37.7Very low42.8Very low119 Ų119113.2 Ų113.283%0.83266%0.664SS**  trans-19.7135.114351.40000116.5
193G30.4Very low45Very low70 Ų70115.4 Ų115.472%0.72267%0.673SS**  trans134.7117.7151.300000114.9
194Q30.7Very low47.4Very low194 Ų194113.4 Ų113.491%0.90766%0.657SS**  trans79120.5161-63177.2-19.500118.1A196Q194-A196 PolarHBondContact O-N 2.85Å
195A38.4Very low49Very low115 Ų115112.9 Ų112.995%0.9565%0.65SS**  trans-57.7106164.800000109.5
196A32.8Very low50.5Low90 Ų90107.9 Ų107.974%0.74464%0.637SS**  trans-104124.6167.600000108.3Q194 Q198Q194-A196 PolarHBondContact O-N 2.85Å; A196-Q198 PolarHBondContact O-N 3.13Å
197S41.6Very low52.5Low114 Ų114110.6 Ų110.680%0.79765%0.646SS**  trans-46122.5173.250.10000111.5
198Q46.3Very low54.3Low162 Ų162105.2 Ų105.276%0.75762%0.616SS**  trans-55.7133.4166.6-73.2-105.4-10.800108.8A196 D200A196-Q198 PolarHBondContact O-N 3.13Å; Q198-D200 PolarHBondContact O-N 3.24Å
199P52.6Low56.9Low89 Ų89100.3 Ų100.358%0.57858%0.583SS**  trans-67.1124.7176.225-30.5000109.9Q201P199-Q201 PolarHBondContact O-N 3Å
200D80.3Confident59.6Low111 Ų11194.6 Ų94.659%0.59455%0.548SS*.SBendtrans-75.927.4179.4-164.723.7000112.8Q198 N419Q198-D200 PolarHBondContact O-N 3.24Å; D200-N419 WeakPolarHBondContact O-CB 3.38Å; D200-N419 PolarHBondContact O-N 2.84Å; D200-N419 PolarHBondContact O-ND2 3.21Å; D200-N419 PolarHBondContact OD2-ND2 3.37Å; D200-N419 VanDerWaalsContact OD2-ND2 3.1Å
201Q88.3Confident62.3Low74 Ų7486.9 Ų86.935%0.34651%0.512SS..BIsolated β-bridgetrans-144.4140.4-172.3-165.7-175.1-15.400112P199 N419 Y421P199-Q201 PolarHBondContact O-N 3Å; Q201-N419 WeakPolarHBondContact CA-O 3.29Å; Q201-N419 WeakPolarHBondContact CG-O 3.18Å; Q201-Y421 HydrophobicContact CG-CD2 3.72Å; Q201-Y421 HydrophobicContact CG-CE2 3.92Å
202Y88.6Confident65.4Low10 Ų1078.9 Ų78.94%0.03948%0.475CS..  trans-70.3135166.4-68.3-76.9000110.9G308 P310 D345 L416 R417 K418 N419 L420Y202-G308 WeakPolarHBondContact CE1-O 3.34Å; Y202-P310 HydrophobicContact CD1-CG 4.23Å; Y202-P310 HydrophobicContact CG-CG 4.19Å; Y202-D345 HydrophobicContact CE1-CB 4.36Å; Y202-D345 WeakPolarHBondContact OH-CB 3.39Å; Y202-D345 PolarHBondContact OH-OD1 3.27Å; Y202-L416 HydrophobicContact CE2-CB 4.38Å; Y202-L416 HydrophobicContact CE2-CD2 4.11Å; Y202-R417 PolarHBondContact OH-N 3Å; Y202-K418 HydrophobicContact CD1-CD 4.33Å; Y202-K418 HydrophobicContact CD2-CB 3.73Å; Y202-K418 HydrophobicContact CE1-CB 4.5Å; Y202-K418 HydrophobicContact CE1-CD 4.44Å; Y202-K418 HydrophobicContact CE2-CB 3.7Å; Y202-K418 HydrophobicContact CE2-CG 4.49Å; Y202-K418 WeakPolarHBondContact CE2-O 3.22Å; Y202-K418 HydrophobicContact CG-CB 4.17Å; Y202-N419 PolarHBondContact N-O 3.49Å; Y202-L420 HydrophobicContact CD2-CB 3.93Å; Y202-L420 HydrophobicContact CD2-CD1 3.97Å; Y202-L420 HydrophobicContact CD2-CG 4.4Å; Y202-L420 HydrophobicContact CG-CD1 4.24Å
203N85.1Confident68.2Low124 Ų12473.2 Ų73.266%0.66344%0.435SS*.  trans-90.8109.1178.3-170.97.3000109.8
204L84.3Confident71.4Confident20 Ų2069.9 Ų69.911%0.10540%0.401CS..  trans-115101179.7-61.3-172.8000111.1R209 D264 A265 P310 L420 L422L204-R209 PolarHBondContact O-NH2 3.39Å; L204-D264 HydrophobicContact CD2-CB 3.87Å; L204-A265 HydrophobicContact CD2-CB 3.71Å; L204-P310 HydrophobicContact CD2-CG 4.19Å; L204-L420 HydrophobicContact CD1-CD1 3.65Å; L204-L420 HydrophobicContact CG-CD1 4.2Å; L204-L422 HydrophobicContact CD1-CD2 3.55Å
205R75.9Confident74.6Confident102 Ų10260.6 Ų60.639%0.38536%0.358SS..  trans-85137.7177.9-66.6169.6-74.8158.15.8110.7D207 Q208 R209 D264R205-D207 VanDerWaalsContact C-N 3.28Å; R205-D207 WeakPolarHBondContact CB-OD1 3.25Å; R205-D207 PolarHBondContact O-N 3.07Å; R205-Q208 VanDerWaalsContact CZ-OE1 3.25Å; R205-Q208 CarbonylContact O-C 3.6Å; R205-Q208 PolarHBondContact O-N 2.87Å; R205-Q208 VanDerWaalsContact O-N 3.15Å; R205-R209 VanDerWaalsContact O-CA 3.25Å; R205-R209 WeakPolarHBondContact O-CA 3.46Å; R205-R209 WeakPolarHBondContact O-CB 3.23Å; R205-R209 PolarHBondContact O-N 2.8Å; R205-D264 WeakPolarHBondContact CB-OD2 3.32Å; R205-D264 IonicContact CZ-OD1 3.99Å; R205-D264 IonicContact CZ-OD2 3.88Å; R205-D264 PolarHBondContact N-OD2 3.1Å; R205-D264 IonicContact NE-OD1 2.86Å; R205-D264 IonicContact NE-OD2 3.91Å; R205-D264 PolarHBondContact NE-OD2 3.33Å; R205-D264 IonicContact NH2-OD1 3.1Å; R205-D264 PolarHBondContact NH2-OD1 3.23Å; R205-D264 VanDerWaalsContact NH2-OD1 3.1Å; R205-D264 IonicContact NH2-OD2 3.66Å
206A66.3Low77.3Confident56 Ų5655.1 Ų55.146%0.46331%0.312SS..THydrogen-bonded Turntrans-63.1-31.7-173.900000113.4H233A206-H233 HydrophobicContact CB-CB 4.15Å
207D68.3Low80.2Confident125 Ų12551.2 Ų51.267%0.66828%0.28SS*.THydrogen-bonded Turntrans-79.4-16.4178.465.4-47.8000113.7R205R205-D207 VanDerWaalsContact C-N 3.28Å; R205-D207 WeakPolarHBondContact CB-OD1 3.25Å; R205-D207 PolarHBondContact O-N 3.07Å
208Q68.3Low82.5Confident56 Ų5647.4 Ų47.426%0.26225%0.251SS..SBendtrans-130.417.5-175.3-74175.928.100112.3R205 G210 K262 E263 D264R205-Q208 VanDerWaalsContact CZ-OE1 3.25Å; R205-Q208 CarbonylContact O-C 3.6Å; R205-Q208 PolarHBondContact O-N 2.87Å; R205-Q208 VanDerWaalsContact O-N 3.15Å; Q208-G210 VanDerWaalsContact C-N 3.27Å; Q208-G210 PolarHBondContact O-N 3.18Å; Q208-K262 PolarHBondContact OE1-O 3.13Å; Q208-E263 CarbonylContact O-C 3.4Å; Q208-E263 VanDerWaalsContact O-CA 3.27Å; Q208-E263 WeakPolarHBondContact O-CA 3.28Å; Q208-D264 PolarHBondContact O-N 2.9Å
209R84.8Confident84.3Confident9 Ų941.7 Ų41.73%0.03424%0.236CC..  trans-60.1-40.3-169-171163.1-73.5-151.6-4.3112.6L204 R205 L232 F234 D264 A265 E423L204-R209 PolarHBondContact O-NH2 3.39Å; R205-R209 VanDerWaalsContact O-CA 3.25Å; R205-R209 WeakPolarHBondContact O-CA 3.46Å; R205-R209 WeakPolarHBondContact O-CB 3.23Å; R205-R209 PolarHBondContact O-N 2.8Å; R209-L232 WeakPolarHBondContact CD-O 3.34Å; R209-L232 PolarHBondContact NH1-O 3.2Å; R209-F234 HydrophobicContact CG-CD1 4.05Å; R209-F234 HydrophobicContact CG-CD2 4.2Å; R209-F234 HydrophobicContact CG-CE1 3.67Å; R209-F234 HydrophobicContact CG-CE2 3.86Å; R209-F234 HydrophobicContact CG-CG 4.3Å; R209-F234 HydrophobicContact CG-CZ 3.57Å; R209-D264 PolarHBondContact O-N 3.07Å; R209-A265 WeakPolarHBondContact O-CA 3.31Å; R209-A265 WeakPolarHBondContact O-CB 3.23Å; R209-A265 PolarHBondContact O-N 2.78Å; R209-E423 PolarHBondContact NH1-O 2.83Å; R209-E423 PolarHBondContact NH2-O 3.03Å
210G87.9Confident85.5Confident7 Ų740.8 Ų40.87%0.07223%0.226CC..  trans122.3-176.2169.700000114.1Q208 F234 N235 E263 A265Q208-G210 VanDerWaalsContact C-N 3.27Å; Q208-G210 PolarHBondContact O-N 3.18Å; G210-F234 WeakPolarHBondContact O-CA 3.43Å; G210-F234 WeakPolarHBondContact O-CD1 3.48Å; G210-N235 PolarHBondContact O-N 3.46Å; G210-E263 WeakPolarHBondContact CA-OE2 2.95Å; G210-A265 WeakPolarHBondContact CA-O 3.42Å
211V90.4Very high85.9Confident9 Ų935.6 Ų35.66%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-80138.2179.4175.70000112.4V213 N235 L237 V254 E263 V267V211-V213 HydrophobicContact CG1-CG2 3.86Å; V211-N235 CarbonylContact C-O 3.6Å; V211-N235 VanDerWaalsContact CA-O 3.3Å; V211-N235 WeakPolarHBondContact CA-O 3.49Å; V211-N235 HydrophobicContact CG2-CB 4.4Å; V211-L237 HydrophobicContact CG1-CD1 3.76Å; V211-L237 HydrophobicContact CG1-CG 3.93Å; V211-V254 HydrophobicContact CG1-CG1 4.24Å; V211-E263 WeakPolarHBondContact CG2-OE2 3.38Å; V211-E263 PolarHBondContact N-OE2 2.87Å; V211-V267 PolarHBondContact O-N 3.07Å; V211-V267 VanDerWaalsContact O-N 3.11Å
212C94.7Very high86Confident0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-113117.8163.91720000108.6F229 F234 N235 V236 L237 V267C212-F229 HydrophobicContact CB-CB 4.15Å; C212-F229 HydrophobicContact CB-CG 4.36Å; C212-F229 VanDerWaalsContact SG-CG 3.56Å; C212-F234 HydrophobicContact CB-CB 3.73Å; C212-F234 HydrophobicContact CB-CD1 4.18Å; C212-F234 HydrophobicContact CB-CG 4.11Å; C212-N235 PolarHBondContact N-O 3.41Å; C212-V236 HydrophobicContact CB-CG2 4.16Å; C212-V236 CarbonylContact O-C 3.6Å; C212-V236 VanDerWaalsContact O-CA 3.28Å; C212-V236 WeakPolarHBondContact O-CA 3.36Å; C212-L237 PolarHBondContact O-N 3.39Å; C212-V267 CarbonylContact C-O 3.05Å; C212-V267 VanDerWaalsContact CA-O 3.3Å; C212-V267 WeakPolarHBondContact CA-O 3.29Å; C212-V267 HydrophobicContact CB-CB 3.91Å; C212-V267 HydrophobicContact CB-CG1 4.39Å
213V96.4Very high86.2Confident0 Ų032.9 Ų32.90%019%0.193CC..EExtended strand (participates in β ladder)trans-96.9128.8174.2-1720000108.2V211 I215 L237 L251 V254 F266 V267 C268 C269V211-V213 HydrophobicContact CG1-CG2 3.86Å; V213-I215 HydrophobicContact CG1-CD1 4.23Å; V213-I215 HydrophobicContact CG1-CG1 3.97Å; V213-L237 CarbonylContact C-O 3.51Å; V213-L237 WeakPolarHBondContact CA-O 3.43Å; V213-L237 HydrophobicContact CG2-CD1 4.47Å; V213-L251 HydrophobicContact CB-CD2 4.29Å; V213-L251 HydrophobicContact CG1-CD2 4.02Å; V213-V254 HydrophobicContact CG2-CB 4.2Å; V213-V254 HydrophobicContact CG2-CG1 3.74Å; V213-V254 HydrophobicContact CG2-CG2 3.81Å; V213-F266 HydrophobicContact CG2-CE2 3.91Å; V213-F266 HydrophobicContact CG2-CZ 4.42Å; V213-V267 PolarHBondContact N-O 2.9Å; V213-C268 CarbonylContact O-C 3.51Å; V213-C268 WeakPolarHBondContact O-CA 3.41Å; V213-C269 PolarHBondContact O-N 3.26Å
214I97.8Very high86.6Confident0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-119124.5175.4-57.7174.5000107.4L225 E226 V236 L237 Y238 H239 C269I214-L225 HydrophobicContact CD1-CB 3.7Å; I214-L225 HydrophobicContact CG1-CB 4.44Å; I214-L225 HydrophobicContact CG2-CB 4.47Å; I214-L225 HydrophobicContact CG2-CD1 4.33Å; I214-E226 VanDerWaalsContact CD1-CA 3.42Å; I214-E226 HydrophobicContact CD1-CB 3.95Å; I214-E226 VanDerWaalsContact CD1-N 3.26Å; I214-V236 HydrophobicContact CD1-CG1 3.55Å; I214-V236 HydrophobicContact CG1-CG1 4.05Å; I214-L237 PolarHBondContact N-O 3.13Å; I214-Y238 HydrophobicContact CB-CD2 3.91Å; I214-Y238 HydrophobicContact CG2-CD2 3.73Å; I214-Y238 HydrophobicContact CG2-CE2 3.92Å; I214-H239 PolarHBondContact O-N 3.04Å; I214-C269 WeakPolarHBondContact CA-O 3.46Å; I214-C269 HydrophobicContact CG1-CB 4.18Å; I214-C269 HydrophobicContact CG2-CB 4.43Å
215I97.1Very high87.2Confident0 Ų028.9 Ų28.90%017%0.171CC..EExtended strand (participates in β ladder)trans-121.4102.6179.6-60.7-177.7000107.2V213 H239 L242 I247 L251 C269 I270 I271V213-I215 HydrophobicContact CG1-CD1 4.23Å; V213-I215 HydrophobicContact CG1-CG1 3.97Å; I215-H239 WeakPolarHBondContact CA-O 3.42Å; I215-H239 HydrophobicContact CG1-CB 4.49Å; I215-L242 HydrophobicContact CG2-CD1 4.34Å; I215-I247 HydrophobicContact CD1-CB 4.46Å; I215-I247 HydrophobicContact CD1-CG2 3.81Å; I215-I247 HydrophobicContact CG2-CD1 4.08Å; I215-I247 HydrophobicContact CG2-CG1 3.76Å; I215-L251 HydrophobicContact CD1-CD1 4.21Å; I215-L251 HydrophobicContact CD1-CD2 3.96Å; I215-L251 HydrophobicContact CD1-CG 3.89Å; I215-C269 PolarHBondContact N-O 3.41Å; I215-I270 HydrophobicContact CB-CG1 4.46Å; I215-I270 WeakPolarHBondContact O-CA 3.22Å; I215-I271 PolarHBondContact O-N 3.41Å
216D96.1Very high88.1Confident0 Ų026 Ų260%016%0.162CC..EExtended strand (participates in β ladder)trans-104.898.3178.5-169.8-2.2000111V218 G219 N220 D221 G222 Y238 H239 T240 M241 I271D216-V218 VanDerWaalsContact C-N 3.29Å; D216-V218 PolarHBondContact OD1-N 3.46Å; D216-G219 VanDerWaalsContact CG-N 3.29Å; D216-G219 PolarHBondContact OD1-N 3.12Å; D216-G219 WeakPolarHBondContact OD2-CA 3.39Å; D216-G219 PolarHBondContact OD2-N 3.2Å; D216-N220 PolarHBondContact OD2-N 2.87Å; D216-D221 PolarHBondContact OD2-N 2.71Å; D216-G222 WeakPolarHBondContact OD2-CA 3.49Å; D216-G222 PolarHBondContact OD2-N 3.22Å; D216-Y238 HydrophobicContact CB-CE2 3.85Å; D216-H239 PolarHBondContact N-O 3.18Å; D216-T240 CarbonylContact O-C 3.52Å; D216-T240 VanDerWaalsContact O-CA 3.23Å; D216-T240 WeakPolarHBondContact O-CA 3.37Å; D216-M241 PolarHBondContact O-N 2.89Å; D216-I271 HydrophobicContact CB-CD1 4.15Å
217C93.4Very high89.5Confident8 Ų828.5 Ų28.55%0.05417%0.167CC..SBendtrans-86.1-5-179.5-46.10000112.6I247 I271C217-I247 VanDerWaalsContact SG-CD1 3.56Å; C217-I271 VanDerWaalsContact CB-O 3.31Å; C217-I271 WeakPolarHBondContact CB-O 3.45Å; C217-I271 PolarHBondContact N-O 2.95Å; C217-I271 PolarHBondContact SG-O 2.69Å; C217-I271 VanDerWaalsContact SG-O 3.41Å
218V90.2Very high90.8Very high33 Ų3323.1 Ų23.120%0.214%0.139CC..SBendtrans-106.8-42.3-176.4178.10000110.2D216 I271 Y318 L358D216-V218 VanDerWaalsContact C-N 3.29Å; D216-V218 PolarHBondContact OD1-N 3.46Å; V218-I271 HydrophobicContact CB-CG2 4.24Å; V218-I271 HydrophobicContact CG2-CG2 4.07Å; V218-Y318 HydrophobicContact CG2-CD2 4.03Å; V218-Y318 HydrophobicContact CG2-CE2 4.17Å; V218-L358 HydrophobicContact CG1-CD1 4.06Å; V218-L358 HydrophobicContact CG1-CD2 3.5Å; V218-L358 VanDerWaalsContact CG1-CD2 3.5Å; V218-L358 HydrophobicContact CG1-CG 4.4Å; V218-L358 HydrophobicContact CG2-CD1 4.26Å
219G83.9Confident92.1Very high43 Ų4320.4 Ų20.444%0.44313%0.127SC..SBendtrans102.34.5172.300000115.9D216D216-G219 VanDerWaalsContact CG-N 3.29Å; D216-G219 PolarHBondContact OD1-N 3.12Å; D216-G219 WeakPolarHBondContact OD2-CA 3.39Å; D216-G219 PolarHBondContact OD2-N 3.2Å
220N77.5Confident92.4Very high69 Ų6924.9 Ų24.937%0.36915%0.146SC..SBendtrans-99.1-33.3-169.4-70-6.2000114.8D216 H363D216-N220 PolarHBondContact OD2-N 2.87Å; N220-H363 WeakPolarHBondContact CB-O 3.31Å; N220-H363 PolarHBondContact ND2-O 2.85Å
221D88.1Confident92.6Very high2 Ų227.2 Ų27.21%0.01117%0.165CC..SBendtrans-125.9-9.3-164.4-70.5-50.3000114.5D216 G223 M224 L225 I271 H364 S365 L368D216-D221 PolarHBondContact OD2-N 2.71Å; D221-G223 VanDerWaalsContact C-N 3.28Å; D221-G223 PolarHBondContact O-N 2.73Å; D221-M224 WeakPolarHBondContact O-CB 3.5Å; D221-M224 PolarHBondContact O-N 2.89Å; D221-L225 PolarHBondContact O-N 2.65Å; D221-I271 HydrophobicContact CB-CD1 3.92Å; D221-H364 IonicContact OD1-CE1 3.98Å; D221-H364 IonicContact OD1-CG 2.65Å; D221-H364 IonicContact OD1-ND1 3.97Å; D221-H364 PolarHBondContact OD1-ND1 2.81Å; D221-S365 WeakPolarHBondContact OD2-CB 3.5Å; D221-S365 PolarHBondContact OD2-N 2.86Å; D221-L368 HydrophobicContact CB-CD1 3.54Å
222G91.4Very high92.7Very high0 Ų026.9 Ų26.90%016%0.163CC..Hα-helixtrans-57.4-37.3-176.600000113.8D216 M224 L225 E226D216-G222 WeakPolarHBondContact OD2-CA 3.49Å; D216-G222 PolarHBondContact OD2-N 3.22Å; G222-M224 VanDerWaalsContact C-N 3.3Å; G222-M224 PolarHBondContact O-N 2.87Å; G222-L225 PolarHBondContact O-N 2.98Å; G222-E226 PolarHBondContact O-N 3.41Å
223G92.1Very high92.4Very high27 Ų2731.1 Ų31.128%0.27818%0.182SC..Hα-helixtrans-64-31.3177.400000113.9D221 E226 N227D221-G223 VanDerWaalsContact C-N 3.28Å; D221-G223 PolarHBondContact O-N 2.73Å; G223-E226 PolarHBondContact O-N 3.05Å; G223-N227 VanDerWaalsContact O-CG 3.32Å; G223-N227 PolarHBondContact O-N 2.93Å; G223-N227 VanDerWaalsContact O-N 3.08Å; G223-N227 PolarHBondContact O-ND2 3.46Å; G223-N227 VanDerWaalsContact O-ND2 3.1Å
224M94.5Very high92.2Very high60 Ų6031.6 Ų31.630%0.29618%0.184SC..Hα-helixtrans-68.3-41.7177-167.1-169.7-58.500111.1D221 G222 T228 K369 T372D221-M224 WeakPolarHBondContact O-CB 3.5Å; D221-M224 PolarHBondContact O-N 2.89Å; G222-M224 VanDerWaalsContact C-N 3.3Å; G222-M224 PolarHBondContact O-N 2.87Å; M224-T228 WeakPolarHBondContact O-CB 3.36Å; M224-T228 PolarHBondContact O-N 2.83Å; M224-T228 VanDerWaalsContact O-N 3.12Å; M224-T228 PolarHBondContact O-OG1 3.37Å; M224-K369 HydrophobicContact SD-CB 4.42Å; M224-T372 HydrophobicContact CG-CG2 3.93Å; M224-T372 HydrophobicContact SD-CG2 4.06Å; M224-T372 PolarHBondContact SD-OG1 3.24Å
225L96.4Very high91.8Very high0 Ų036.4 Ų36.40%021%0.21CC..Hα-helixtrans-66.2-42.9174.3-67.3170.3000111.2I214 D221 G222 N227 T228 F229 C269 I271 L368 L371 T372I214-L225 HydrophobicContact CD1-CB 3.7Å; I214-L225 HydrophobicContact CG1-CB 4.44Å; I214-L225 HydrophobicContact CG2-CB 4.47Å; I214-L225 HydrophobicContact CG2-CD1 4.33Å; D221-L225 PolarHBondContact O-N 2.65Å; G222-L225 PolarHBondContact O-N 2.98Å; L225-N227 VanDerWaalsContact C-N 3.35Å; L225-N227 PolarHBondContact O-N 2.88Å; L225-T228 PolarHBondContact O-N 3.18Å; L225-T228 VanDerWaalsContact O-N 3.15Å; L225-F229 HydrophobicContact CB-CD2 4.45Å; L225-F229 HydrophobicContact CD2-CE2 4.14Å; L225-F229 WeakPolarHBondContact O-CD2 3.48Å; L225-F229 PolarHBondContact O-N 3.06Å; L225-C269 HydrophobicContact CD1-CB 3.81Å; L225-I271 HydrophobicContact CD1-CD1 3.95Å; L225-I271 HydrophobicContact CD1-CG1 4.39Å; L225-L368 HydrophobicContact CD1-CD1 4.32Å; L225-L368 HydrophobicContact CD1-CD2 4.06Å; L225-L368 HydrophobicContact CD2-CD2 4.21Å; L225-L371 HydrophobicContact CD2-CD2 4.4Å; L225-T372 HydrophobicContact CD2-CG2 3.74Å; L225-T372 HydrophobicContact CG-CG2 4.46Å
226E95.6Very high91.6Very high42 Ų4237.2 Ų37.220%0.19622%0.215CC..Hα-helixtrans-57-50178.8179.3-178.7-154.100110.8I214 G222 G223 T228 F229 K230 V236I214-E226 VanDerWaalsContact CD1-CA 3.42Å; I214-E226 HydrophobicContact CD1-CB 3.95Å; I214-E226 VanDerWaalsContact CD1-N 3.26Å; G222-E226 PolarHBondContact O-N 3.41Å; G223-E226 PolarHBondContact O-N 3.05Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 3.35Å; E226-F229 PolarHBondContact O-N 3.09Å; E226-K230 VanDerWaalsContact CD-NZ 3.27Å; E226-K230 HydrophobicContact CG-CD 4.04Å; E226-K230 WeakPolarHBondContact O-CB 3.41Å; E226-K230 VanDerWaalsContact O-CG 3.29Å; E226-K230 WeakPolarHBondContact O-CG 3.41Å; E226-K230 PolarHBondContact O-N 3.28Å; E226-K230 VanDerWaalsContact OE1-CE 3.29Å; E226-K230 WeakPolarHBondContact OE1-CE 3.35Å; E226-K230 IonicContact OE1-NZ 2.91Å; E226-K230 PolarHBondContact OE1-NZ 3.04Å; E226-V236 HydrophobicContact CB-CG1 4.33Å; E226-V236 HydrophobicContact CG-CB 4.44Å; E226-V236 HydrophobicContact CG-CG1 3.93Å
227N94.7Very high91.4Very high108 Ų10840 Ų4058%0.57823%0.23SC*.Hα-helixtrans-60.5-42.4177.6-72.2-34.5000112G223 L225 A231G223-N227 VanDerWaalsContact O-CG 3.32Å; G223-N227 PolarHBondContact O-N 2.93Å; G223-N227 VanDerWaalsContact O-N 3.08Å; G223-N227 PolarHBondContact O-ND2 3.46Å; G223-N227 VanDerWaalsContact O-ND2 3.1Å; L225-N227 VanDerWaalsContact C-N 3.35Å; L225-N227 PolarHBondContact O-N 2.88Å; N227-A231 VanDerWaalsContact O-CB 3.31Å; N227-A231 WeakPolarHBondContact O-CB 3.48Å; N227-A231 PolarHBondContact O-N 3.01Å
228T95.6Very high91.4Very high12 Ų1243.3 Ų43.37%0.07424%0.241CC..Hα-helixtrans-65.2-49.7-179.3-58.70000111.6M224 L225 E226 A231 L232 T372 L375M224-T228 WeakPolarHBondContact O-CB 3.36Å; M224-T228 PolarHBondContact O-N 2.83Å; M224-T228 VanDerWaalsContact O-N 3.12Å; M224-T228 PolarHBondContact O-OG1 3.37Å; L225-T228 PolarHBondContact O-N 3.18Å; L225-T228 VanDerWaalsContact O-N 3.15Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 3.35Å; T228-A231 CarbonylContact O-C 3.52Å; T228-A231 WeakPolarHBondContact O-CB 3.28Å; T228-A231 PolarHBondContact O-N 3.18Å; T228-L232 HydrophobicContact CG2-CD1 4.26Å; T228-L232 WeakPolarHBondContact O-CG 3.48Å; T228-L232 PolarHBondContact O-N 3.41Å; T228-T372 HydrophobicContact CG2-CG2 4.29Å; T228-T372 WeakPolarHBondContact OG1-CB 3.43Å; T228-T372 WeakPolarHBondContact OG1-CG2 3.38Å; T228-L375 HydrophobicContact CG2-CB 4.06Å; T228-L375 HydrophobicContact CG2-CD1 4.26Å
229F94.6Very high91.5Very high0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-73.9-30.8-177.2-77.7-72.6000113C212 L225 E226 A231 L232 H233 F234 V236 V267 C269 F314 L375C212-F229 HydrophobicContact CB-CB 4.15Å; C212-F229 HydrophobicContact CB-CG 4.36Å; C212-F229 VanDerWaalsContact SG-CG 3.56Å; L225-F229 HydrophobicContact CB-CD2 4.45Å; L225-F229 HydrophobicContact CD2-CE2 4.14Å; L225-F229 WeakPolarHBondContact O-CD2 3.48Å; L225-F229 PolarHBondContact O-N 3.06Å; E226-F229 PolarHBondContact O-N 3.09Å; F229-A231 VanDerWaalsContact C-N 3.34Å; F229-L232 HydrophobicContact CD1-CD1 4.08Å; F229-L232 HydrophobicContact CE1-CD1 4.25Å; F229-L232 CarbonylContact O-C 3.53Å; F229-L232 PolarHBondContact O-N 3.07Å; F229-H233 PolarHBondContact O-N 2.96Å; F229-F234 HydrophobicContact CB-CB 4.35Å; F229-F234 AromaticContact CD1-CD2 3.85Å; F229-F234 HydrophobicContact CD1-CD2 3.85Å; F229-F234 HydrophobicContact CD1-CE2 4.11Å; F229-F234 HydrophobicContact CD1-CG 4.41Å; F229-F234 PolarHBondContact O-N 2.98Å; F229-V236 HydrophobicContact CB-CG2 3.87Å; F229-V267 HydrophobicContact CD1-CG1 4.27Å; F229-V267 HydrophobicContact CD1-CG2 4.44Å; F229-V267 HydrophobicContact CE1-CB 4.44Å; F229-V267 HydrophobicContact CE1-CG1 3.74Å; F229-V267 HydrophobicContact CE1-CG2 4.09Å; F229-V267 HydrophobicContact CE2-CG1 4.24Å; F229-V267 HydrophobicContact CZ-CG1 3.73Å; F229-C269 VanDerWaalsContact CE2-SG 3.59Å; F229-F314 HydrophobicContact CE1-CE2 4.47Å; F229-F314 HydrophobicContact CZ-CD2 4.02Å; F229-F314 AromaticContact CZ-CE2 3.86Å; F229-F314 HydrophobicContact CZ-CE2 3.86Å; F229-L375 HydrophobicContact CE1-CD1 4.35Å; F229-L375 HydrophobicContact CE2-CD1 4.42Å; F229-L375 HydrophobicContact CZ-CD1 3.87Å
230K92.1Very high91.9Very high103 Ų10345.9 Ų45.945%0.44825%0.245SC..Hα-helixtrans-60.9-44.2166.1-76.2179.7-176.4170.30111.2E226 L232 H233 V236E226-K230 VanDerWaalsContact CD-NZ 3.27Å; E226-K230 HydrophobicContact CG-CD 4.04Å; E226-K230 WeakPolarHBondContact O-CB 3.41Å; E226-K230 VanDerWaalsContact O-CG 3.29Å; E226-K230 WeakPolarHBondContact O-CG 3.41Å; E226-K230 PolarHBondContact O-N 3.28Å; E226-K230 VanDerWaalsContact OE1-CE 3.29Å; E226-K230 WeakPolarHBondContact OE1-CE 3.35Å; E226-K230 IonicContact OE1-NZ 2.91Å; E226-K230 PolarHBondContact OE1-NZ 3.04Å; K230-L232 PolarHBondContact O-N 3.2Å; K230-H233 PolarHBondContact O-N 3.32Å; K230-V236 HydrophobicContact CG-CB 4.16Å; K230-V236 HydrophobicContact CG-CG2 3.68Å
231A92.2Very high92.5Very high55 Ų5547.8 Ų47.846%0.45525%0.253SS..Hα-helixtrans-64.7-24.3176.100000112.7N227 T228 F229 H233 K379N227-A231 VanDerWaalsContact O-CB 3.31Å; N227-A231 WeakPolarHBondContact O-CB 3.48Å; N227-A231 PolarHBondContact O-N 3.01Å; T228-A231 CarbonylContact O-C 3.52Å; T228-A231 WeakPolarHBondContact O-CB 3.28Å; T228-A231 PolarHBondContact O-N 3.18Å; F229-A231 VanDerWaalsContact C-N 3.34Å; A231-H233 VanDerWaalsContact C-N 3.29Å; A231-K379 PolarHBondContact O-NZ 3.39Å
232L91.5Very high92.6Very high3 Ų348.8 Ų48.82%0.01626%0.258CS..THydrogen-bonded Turntrans-88.210.8172.3-66.4172.1000113.8R209 T228 F229 K230 F234 L375 K379 L422R209-L232 WeakPolarHBondContact CD-O 3.34Å; R209-L232 PolarHBondContact NH1-O 3.2Å; T228-L232 HydrophobicContact CG2-CD1 4.26Å; T228-L232 WeakPolarHBondContact O-CG 3.48Å; T228-L232 PolarHBondContact O-N 3.41Å; F229-L232 HydrophobicContact CD1-CD1 4.08Å; F229-L232 HydrophobicContact CE1-CD1 4.25Å; F229-L232 CarbonylContact O-C 3.53Å; F229-L232 PolarHBondContact O-N 3.07Å; K230-L232 PolarHBondContact O-N 3.2Å; L232-F234 HydrophobicContact CB-CD2 3.97Å; L232-F234 HydrophobicContact CB-CE2 4.21Å; L232-L375 HydrophobicContact CD1-CB 4.27Å; L232-L375 HydrophobicContact CD1-CD1 4.47Å; L232-L375 HydrophobicContact CD1-CD2 4.41Å; L232-K379 HydrophobicContact CD2-CB 4.04Å; L232-K379 HydrophobicContact CD2-CD 4.1Å; L232-K379 HydrophobicContact CD2-CG 3.97Å; L232-L422 HydrophobicContact CD1-CB 4.36Å; L232-L422 HydrophobicContact CD1-CD1 4.46Å; L232-L422 HydrophobicContact CD2-CB 4.25Å; L232-L422 WeakPolarHBondContact CD2-O 3.46Å
233H90.3Very high92.6Very high89 Ų8949 Ų4941%0.41226%0.259SS..THydrogen-bonded Turntrans68.227.2176.3-50.4-69.5000115.2A206 F229 K230 A231 K379A206-H233 HydrophobicContact CB-CB 4.15Å; F229-H233 PolarHBondContact O-N 2.96Å; K230-H233 PolarHBondContact O-N 3.32Å; A231-H233 VanDerWaalsContact C-N 3.29Å; H233-K379 PolarHBondContact NE2-NZ 3.3Å
234F90.7Very high92.5Very high9 Ų947.9 Ų47.94%0.03925%0.248CC..  trans-85.8148.8168.2-73.3-94.4000111.6R209 G210 C212 F229 L232 V236 A265 V267 L422R209-F234 HydrophobicContact CG-CD1 4.05Å; R209-F234 HydrophobicContact CG-CD2 4.2Å; R209-F234 HydrophobicContact CG-CE1 3.67Å; R209-F234 HydrophobicContact CG-CE2 3.86Å; R209-F234 HydrophobicContact CG-CG 4.3Å; R209-F234 HydrophobicContact CG-CZ 3.57Å; G210-F234 WeakPolarHBondContact O-CA 3.43Å; G210-F234 WeakPolarHBondContact O-CD1 3.48Å; C212-F234 HydrophobicContact CB-CB 3.73Å; C212-F234 HydrophobicContact CB-CD1 4.18Å; C212-F234 HydrophobicContact CB-CG 4.11Å; F229-F234 HydrophobicContact CB-CB 4.35Å; F229-F234 AromaticContact CD1-CD2 3.85Å; F229-F234 HydrophobicContact CD1-CD2 3.85Å; F229-F234 HydrophobicContact CD1-CE2 4.11Å; F229-F234 HydrophobicContact CD1-CG 4.41Å; F229-F234 PolarHBondContact O-N 2.98Å; L232-F234 HydrophobicContact CB-CD2 3.97Å; L232-F234 HydrophobicContact CB-CE2 4.21Å; F234-V236 PolarHBondContact O-N 3.2Å; F234-A265 HydrophobicContact CE1-CB 4.11Å; F234-A265 HydrophobicContact CZ-CB 4.4Å; F234-V267 HydrophobicContact CD1-CG2 4.03Å; F234-V267 HydrophobicContact CE1-CB 4.5Å; F234-V267 HydrophobicContact CE1-CG2 3.47Å; F234-V267 VanDerWaalsContact CE1-CG2 3.47Å; F234-V267 HydrophobicContact CE2-CG2 4.33Å; F234-V267 HydrophobicContact CZ-CG2 3.63Å; F234-L422 HydrophobicContact CE2-CD2 4.23Å; F234-L422 HydrophobicContact CZ-CD2 4.12Å
235N89.1Confident92.3Very high101 Ų10151.5 Ų51.554%0.5427%0.269SS..EExtended strand (participates in β ladder)trans-78.9108.2165.5-178.526.3000108.8G210 V211 C212G210-N235 PolarHBondContact O-N 3.46Å; V211-N235 CarbonylContact C-O 3.6Å; V211-N235 VanDerWaalsContact CA-O 3.3Å; V211-N235 WeakPolarHBondContact CA-O 3.49Å; V211-N235 HydrophobicContact CG2-CB 4.4Å; C212-N235 PolarHBondContact N-O 3.41Å
236V92.8Very high92.1Very high17 Ų1756.5 Ų56.510%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-92.4123.9-173.2-177.10000111.3C212 I214 E226 F229 K230 F234C212-V236 HydrophobicContact CB-CG2 4.16Å; C212-V236 CarbonylContact O-C 3.6Å; C212-V236 VanDerWaalsContact O-CA 3.28Å; C212-V236 WeakPolarHBondContact O-CA 3.36Å; I214-V236 HydrophobicContact CD1-CG1 3.55Å; I214-V236 HydrophobicContact CG1-CG1 4.05Å; E226-V236 HydrophobicContact CB-CG1 4.33Å; E226-V236 HydrophobicContact CG-CB 4.44Å; E226-V236 HydrophobicContact CG-CG1 3.93Å; F229-V236 HydrophobicContact CB-CG2 3.87Å; K230-V236 HydrophobicContact CG-CB 4.16Å; K230-V236 HydrophobicContact CG-CG2 3.68Å; F234-V236 PolarHBondContact O-N 3.2Å
237L92.6Very high92Very high60 Ų6054.5 Ų54.531%0.31428%0.283SS..EExtended strand (participates in β ladder)trans-102.3110.8167.2-58.9-179.3000108V211 C212 V213 I214 V254V211-L237 HydrophobicContact CG1-CD1 3.76Å; V211-L237 HydrophobicContact CG1-CG 3.93Å; C212-L237 PolarHBondContact O-N 3.39Å; V213-L237 CarbonylContact C-O 3.51Å; V213-L237 WeakPolarHBondContact CA-O 3.43Å; V213-L237 HydrophobicContact CG2-CD1 4.47Å; I214-L237 PolarHBondContact N-O 3.13Å; L237-V254 HydrophobicContact CD1-CG2 3.74Å
238Y92.9Very high91.9Very high76 Ų7651 Ų5130%0.29826%0.262SS..EExtended strand (participates in β ladder)trans-108120.7-175.8-177.3-151.6000110.8I214 D216 T240I214-Y238 HydrophobicContact CB-CD2 3.91Å; I214-Y238 HydrophobicContact CG2-CD2 3.73Å; I214-Y238 HydrophobicContact CG2-CE2 3.92Å; D216-Y238 HydrophobicContact CB-CE2 3.85Å; Y238-T240 HydrophobicContact CD2-CG2 4.46Å; Y238-T240 HydrophobicContact CE1-CG2 4.15Å; Y238-T240 HydrophobicContact CE2-CG2 3.75Å
239H92.5Very high91.8Very high59 Ų5954.2 Ų54.227%0.27328%0.276SS..EExtended strand (participates in β ladder)trans-122.4139.9179.6-57.9-91.7000109.8I214 I215 D216 L242I214-H239 PolarHBondContact O-N 3.04Å; I215-H239 WeakPolarHBondContact CA-O 3.42Å; I215-H239 HydrophobicContact CG1-CB 4.49Å; D216-H239 PolarHBondContact N-O 3.18Å; H239-L242 HydrophobicContact CB-CD1 3.78Å; H239-L242 HydrophobicContact CB-CG 4.25Å
240T92.9Very high91.6Very high71 Ų7155.1 Ų55.144%0.43628%0.282SS..EExtended strand (participates in β ladder)trans-125.7150.1-178.957.30000110.7D216 Y238 L242D216-T240 CarbonylContact O-C 3.52Å; D216-T240 VanDerWaalsContact O-CA 3.23Å; D216-T240 WeakPolarHBondContact O-CA 3.37Å; Y238-T240 HydrophobicContact CD2-CG2 4.46Å; Y238-T240 HydrophobicContact CE1-CG2 4.15Å; Y238-T240 HydrophobicContact CE2-CG2 3.75Å; T240-L242 PolarHBondContact O-N 3.31Å
241M89.8Confident91.6Very high109 Ų10950.2 Ų50.254%0.53726%0.261SS..SBendtrans57.344.3168.9-54.2-57.4-67.400114D216 T282D216-M241 PolarHBondContact O-N 2.89Å; M241-T282 VanDerWaalsContact C-CG2 3.47Å; M241-T282 HydrophobicContact CB-CG2 4.14Å; M241-T282 HydrophobicContact CE-CG2 3.92Å; M241-T282 HydrophobicContact SD-CG2 4.49Å
242L91.3Very high91.5Very high24 Ų2448.8 Ų48.813%0.12624%0.244CC..  trans-92.7140176.4-60.4-170.2000111.9I215 H239 T240 E246 I247 G281 T282I215-L242 HydrophobicContact CG2-CD1 4.34Å; H239-L242 HydrophobicContact CB-CD1 3.78Å; H239-L242 HydrophobicContact CB-CG 4.25Å; T240-L242 PolarHBondContact O-N 3.31Å; L242-E246 HydrophobicContact CB-CB 4.08Å; L242-E246 HydrophobicContact CD2-CB 4.26Å; L242-I247 HydrophobicContact CB-CG1 3.7Å; L242-I247 HydrophobicContact CD1-CG1 4.45Å; L242-G281 CarbonylContact O-C 3.48Å; L242-G281 WeakPolarHBondContact O-CA 3.25Å; L242-T282 PolarHBondContact O-N 3.28Å
243G90.4Very high91.2Very high3 Ų354 Ų543%0.03127%0.268CS..BIsolated β-bridgetrans-74.7166.7165.700000112.3D245 E246 I247 T282 D283G243-D245 VanDerWaalsContact C-N 3.33Å; G243-D245 PolarHBondContact O-N 3.29Å; G243-E246 PolarHBondContact N-OE2 3.39Å; G243-E246 PolarHBondContact O-N 3.34Å; G243-E246 VanDerWaalsContact O-N 3.1Å; G243-I247 VanDerWaalsContact O-CG1 3.26Å; G243-I247 WeakPolarHBondContact O-CG1 3.36Å; G243-I247 PolarHBondContact O-N 2.69Å; G243-T282 WeakPolarHBondContact CA-OG1 3.37Å; G243-T282 PolarHBondContact N-OG1 2.72Å; G243-D283 WeakPolarHBondContact CA-OD1 3.44Å
244A90.9Very high91Very high5 Ų550.3 Ų50.34%0.04125%0.252CS..Hα-helixtrans-59.2-40.9-172.400000113.4I247 F248 D283 L289A244-I247 WeakPolarHBondContact O-CB 3.37Å; A244-F248 PolarHBondContact O-N 2.71Å; A244-D283 VanDerWaalsContact CB-OD2 3.32Å; A244-D283 WeakPolarHBondContact CB-OD2 3.31Å; A244-D283 PolarHBondContact N-OD2 3.13Å; A244-L289 HydrophobicContact CB-CB 4.31Å
245D90.3Very high90.7Very high136 Ų13650.2 Ų50.273%0.72725%0.253SS*.Hα-helixtrans-68.7-36.8177.6-73.3-22.1000111.9G243 F248 E249G243-D245 VanDerWaalsContact C-N 3.33Å; G243-D245 PolarHBondContact O-N 3.29Å; D245-F248 PolarHBondContact O-N 2.96Å; D245-E249 PolarHBondContact O-N 2.92Å
246E91.9Very high90.3Very high105 Ų10550.3 Ų50.349%0.49125%0.249SC..Hα-helixtrans-69.3-37.9178.2-62.3177.3131.200111.6L242 G243 F248 E249 T250L242-E246 HydrophobicContact CB-CB 4.08Å; L242-E246 HydrophobicContact CD2-CB 4.26Å; G243-E246 PolarHBondContact N-OE2 3.39Å; G243-E246 PolarHBondContact O-N 3.34Å; G243-E246 VanDerWaalsContact O-N 3.1Å; E246-F248 VanDerWaalsContact C-N 3.31Å; E246-F248 PolarHBondContact O-N 2.89Å; E246-E249 PolarHBondContact O-N 3.42Å; E246-T250 VanDerWaalsContact O-CB 3.28Å; E246-T250 WeakPolarHBondContact O-CB 3.24Å; E246-T250 PolarHBondContact O-N 2.82Å; E246-T250 PolarHBondContact O-OG1 3.22Å
247I93.1Very high89.3Confident0 Ų056.1 Ų56.10%027%0.274CS..Hα-helixtrans-56.6-49171.1-66.6173.5000109.6I215 C217 L242 G243 A244 T250 L251 I279 L289I215-I247 HydrophobicContact CD1-CB 4.46Å; I215-I247 HydrophobicContact CD1-CG2 3.81Å; I215-I247 HydrophobicContact CG2-CD1 4.08Å; I215-I247 HydrophobicContact CG2-CG1 3.76Å; C217-I247 VanDerWaalsContact SG-CD1 3.56Å; L242-I247 HydrophobicContact CB-CG1 3.7Å; L242-I247 HydrophobicContact CD1-CG1 4.45Å; G243-I247 VanDerWaalsContact O-CG1 3.26Å; G243-I247 WeakPolarHBondContact O-CG1 3.36Å; G243-I247 PolarHBondContact O-N 2.69Å; A244-I247 WeakPolarHBondContact O-CB 3.37Å; I247-T250 PolarHBondContact O-N 3.36Å; I247-L251 HydrophobicContact CG2-CD1 4.04Å; I247-L251 WeakPolarHBondContact O-CG 2.94Å; I247-L251 PolarHBondContact O-N 3.06Å; I247-I279 HydrophobicContact CD1-CG2 3.88Å; I247-L289 HydrophobicContact CB-CD2 4.29Å; I247-L289 HydrophobicContact CG2-CD2 3.74Å
248F93.2Very high88.1Confident34 Ų3453.4 Ų53.415%0.14926%0.26CS..Hα-helixtrans-62.9-48.8-178.8-177.2-101.1000112.1F52 A244 D245 E246 T250 L251 K252 L289 N293 L297F52-F248 HydrophobicContact CE1-CE1 4.14Å; F52-F248 HydrophobicContact CE1-CZ 4.22Å; A244-F248 PolarHBondContact O-N 2.71Å; D245-F248 PolarHBondContact O-N 2.96Å; E246-F248 VanDerWaalsContact C-N 3.31Å; E246-F248 PolarHBondContact O-N 2.89Å; F248-T250 VanDerWaalsContact C-N 3.34Å; F248-T250 PolarHBondContact O-N 3.34Å; F248-L251 PolarHBondContact O-N 3.42Å; F248-K252 HydrophobicContact CD1-CD 4.48Å; F248-K252 HydrophobicContact CE1-CD 3.98Å; F248-K252 VanDerWaalsContact O-CB 3.23Å; F248-K252 WeakPolarHBondContact O-CB 3.48Å; F248-K252 PolarHBondContact O-N 3.12Å; F248-L289 HydrophobicContact CB-CD1 4.1Å; F248-L289 HydrophobicContact CB-CD2 3.99Å; F248-L289 HydrophobicContact CD2-CD1 3.72Å; F248-L289 HydrophobicContact CD2-CD2 4.43Å; F248-L289 HydrophobicContact CG-CD1 4.22Å; F248-N293 HydrophobicContact CD2-CB 4.47Å; F248-N293 HydrophobicContact CE2-CB 4.21Å; F248-L297 HydrophobicContact CD2-CD1 3.92Å; F248-L297 HydrophobicContact CE2-CD1 3.78Å; F248-L297 HydrophobicContact CE2-CD2 3.91Å; F248-L297 HydrophobicContact CE2-CG 3.94Å; F248-L297 HydrophobicContact CZ-CD1 4.47Å; F248-L297 HydrophobicContact CZ-CD2 3.9Å; F248-L297 HydrophobicContact CZ-CG 4.44Å
249E92.1Very high86.5Confident79 Ų7953.9 Ų53.937%0.36927%0.265SS..Hα-helixtrans-65-37.8179.2-70.2-58.1129.100112D245 E246 L251 K252 E253D245-E249 PolarHBondContact O-N 2.92Å; E246-E249 PolarHBondContact O-N 3.42Å; E249-L251 PolarHBondContact O-N 2.81Å; E249-K252 VanDerWaalsContact CD-NZ 3.33Å; E249-K252 WeakPolarHBondContact O-CB 3.21Å; E249-K252 PolarHBondContact O-N 3.3Å; E249-K252 IonicContact OE1-NZ 3.7Å; E249-K252 PolarHBondContact OE1-NZ 2.87Å; E249-K252 IonicContact OE2-NZ 3.85Å; E249-K252 PolarHBondContact OE2-NZ 3.27Å; E249-E253 WeakPolarHBondContact O-CG 3.4Å; E249-E253 PolarHBondContact O-N 3.42Å
250T90.3Very high84.7Confident20 Ų2056.3 Ų56.312%0.12329%0.288CS..Hα-helixtrans-58.7-50.4174-61.30000111.4E246 I247 F248 K252 E253 V254E246-T250 VanDerWaalsContact O-CB 3.28Å; E246-T250 WeakPolarHBondContact O-CB 3.24Å; E246-T250 PolarHBondContact O-N 2.82Å; E246-T250 PolarHBondContact O-OG1 3.22Å; I247-T250 PolarHBondContact O-N 3.36Å; F248-T250 VanDerWaalsContact C-N 3.34Å; F248-T250 PolarHBondContact O-N 3.34Å; T250-K252 VanDerWaalsContact C-N 3.3Å; T250-K252 PolarHBondContact O-N 3.09Å; T250-E253 PolarHBondContact O-N 2.96Å; T250-V254 WeakPolarHBondContact O-CG2 3.35Å; T250-V254 PolarHBondContact O-N 3.11Å
251L92.3Very high83.1Confident0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-65.8-35.3179.7-69.3173.8000112.3V213 I215 I247 F248 E249 V254 S255 I270 I294 L297 F298V213-L251 HydrophobicContact CB-CD2 4.29Å; V213-L251 HydrophobicContact CG1-CD2 4.02Å; I215-L251 HydrophobicContact CD1-CD1 4.21Å; I215-L251 HydrophobicContact CD1-CD2 3.96Å; I215-L251 HydrophobicContact CD1-CG 3.89Å; I247-L251 HydrophobicContact CG2-CD1 4.04Å; I247-L251 WeakPolarHBondContact O-CG 2.94Å; I247-L251 PolarHBondContact O-N 3.06Å; F248-L251 PolarHBondContact O-N 3.42Å; E249-L251 PolarHBondContact O-N 2.81Å; L251-V254 PolarHBondContact O-N 2.88Å; L251-S255 WeakPolarHBondContact O-CB 3.46Å; L251-S255 PolarHBondContact O-N 3.36Å; L251-I270 HydrophobicContact CD1-CD1 4.31Å; L251-I294 HydrophobicContact CD1-CG1 4.08Å; L251-I294 HydrophobicContact CD1-CG2 3.94Å; L251-L297 HydrophobicContact CB-CD1 3.75Å; L251-F298 HydrophobicContact CB-CE2 4.33Å; L251-F298 HydrophobicContact CB-CZ 4.38Å; L251-F298 HydrophobicContact CD2-CE2 4.5Å; L251-F298 HydrophobicContact CD2-CZ 4.42Å
252K89.7Confident82Confident25 Ų2558.2 Ų58.211%0.10929%0.293CS..Hα-helixtrans-66.9-40.2175.9-178.4-176.1176.5-161.20111.7F248 E249 T250 S255 K256 L297F248-K252 HydrophobicContact CD1-CD 4.48Å; F248-K252 HydrophobicContact CE1-CD 3.98Å; F248-K252 VanDerWaalsContact O-CB 3.23Å; F248-K252 WeakPolarHBondContact O-CB 3.48Å; F248-K252 PolarHBondContact O-N 3.12Å; E249-K252 VanDerWaalsContact CD-NZ 3.33Å; E249-K252 WeakPolarHBondContact O-CB 3.21Å; E249-K252 PolarHBondContact O-N 3.3Å; E249-K252 IonicContact OE1-NZ 3.7Å; E249-K252 PolarHBondContact OE1-NZ 2.87Å; E249-K252 IonicContact OE2-NZ 3.85Å; E249-K252 PolarHBondContact OE2-NZ 3.27Å; T250-K252 VanDerWaalsContact C-N 3.3Å; T250-K252 PolarHBondContact O-N 3.09Å; K252-S255 PolarHBondContact O-N 3Å; K252-K256 WeakPolarHBondContact O-CG 3.48Å; K252-K256 PolarHBondContact O-N 3.3Å; K252-K256 VanDerWaalsContact O-N 3.07Å; K252-L297 HydrophobicContact CB-CD1 4.25Å; K252-L297 HydrophobicContact CB-CD2 3.97Å; K252-L297 HydrophobicContact CG-CD2 4.11Å
253E86.8Confident81.5Confident111 Ų11158.2 Ų58.252%0.51929%0.293SS..Hα-helixtrans-62.1-44.9172.3-75.8-176.8177.400111.5E249 T250 S255 K256 H257E249-E253 WeakPolarHBondContact O-CG 3.4Å; E249-E253 PolarHBondContact O-N 3.42Å; T250-E253 PolarHBondContact O-N 2.96Å; E253-S255 VanDerWaalsContact C-N 3.35Å; E253-S255 PolarHBondContact O-N 3.37Å; E253-K256 PolarHBondContact O-N 3.14Å; E253-H257 PolarHBondContact O-N 2.86Å; E253-H257 PolarHBondContact O-ND1 3.29Å
254V85.6Confident81.3Confident12 Ų1258.9 Ų58.97%0.07330%0.296CS..Hα-helixtrans-60.6-45.7176.4173.30000110.9V211 V213 L237 T250 L251 K256 H257 R258 F266V211-V254 HydrophobicContact CG1-CG1 4.24Å; V213-V254 HydrophobicContact CG2-CB 4.2Å; V213-V254 HydrophobicContact CG2-CG1 3.74Å; V213-V254 HydrophobicContact CG2-CG2 3.81Å; L237-V254 HydrophobicContact CD1-CG2 3.74Å; T250-V254 WeakPolarHBondContact O-CG2 3.35Å; T250-V254 PolarHBondContact O-N 3.11Å; L251-V254 PolarHBondContact O-N 2.88Å; V254-K256 VanDerWaalsContact C-N 3.29Å; V254-K256 PolarHBondContact O-N 3.47Å; V254-H257 PolarHBondContact O-N 3.39Å; V254-R258 HydrophobicContact CG1-CG 4.5Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 2.93Å; V254-F266 HydrophobicContact CG1-CE2 4.07Å
255S84.3Confident81.3Confident7 Ų758.7 Ų58.75%0.04929%0.294CS..Hα-helixtrans-56.8-42.2176.9179.70000112.2L251 K252 E253 R258 L297L251-S255 WeakPolarHBondContact O-CB 3.46Å; L251-S255 PolarHBondContact O-N 3.36Å; K252-S255 PolarHBondContact O-N 3Å; E253-S255 VanDerWaalsContact C-N 3.35Å; E253-S255 PolarHBondContact O-N 3.37Å; S255-R258 PolarHBondContact O-N 3.5Å; S255-L297 WeakPolarHBondContact CB-O 3.31Å; S255-L297 PolarHBondContact OG-O 3.28Å
256K81.3Confident81.4Confident104 Ų10452.2 Ų52.245%0.45226%0.259SS..Hα-helixtrans-63.9-47.4176.7-72.2171.3-179.9177.40112.9K252 E253 V254 R258 Q259K252-K256 WeakPolarHBondContact O-CG 3.48Å; K252-K256 PolarHBondContact O-N 3.3Å; K252-K256 VanDerWaalsContact O-N 3.07Å; E253-K256 PolarHBondContact O-N 3.14Å; V254-K256 VanDerWaalsContact C-N 3.29Å; V254-K256 PolarHBondContact O-N 3.47Å; K256-R258 PolarHBondContact O-N 3.34Å; K256-Q259 WeakPolarHBondContact O-CB 3.46Å; K256-Q259 PolarHBondContact O-N 3.46Å; K256-Q259 VanDerWaalsContact O-N 3.14Å
257H71.1Confident81.6Confident138 Ų13847.2 Ų47.264%0.63924%0.236SC*.Hα-helixtrans-60.9-35.1-178.8-75.486000112E253 V254 Q259 S260E253-H257 PolarHBondContact O-N 2.86Å; E253-H257 PolarHBondContact O-ND1 3.29Å; V254-H257 PolarHBondContact O-N 3.39Å; H257-Q259 PolarHBondContact O-N 3.44Å; H257-S260 PolarHBondContact O-N 2.91Å; H257-S260 PolarHBondContact O-OG 2.97Å
258R67.4Low81.8Confident4 Ų447.2 Ų47.22%0.01524%0.236CC..Hα-helixtrans-66.6-19178.9-70.5-175.974.2103.98.5114.6V254 S255 K256 S260 C261 E263 A265 M306V254-R258 HydrophobicContact CG1-CG 4.5Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 2.93Å; S255-R258 PolarHBondContact O-N 3.5Å; K256-R258 PolarHBondContact O-N 3.34Å; R258-S260 PolarHBondContact O-N 3.03Å; R258-C261 PolarHBondContact O-N 3.49Å; R258-C261 VanDerWaalsContact O-N 3.09Å; R258-E263 IonicContact CZ-OE2 3.8Å; R258-E263 IonicContact NE-OE2 3.13Å; R258-E263 IonicContact NH1-OE2 2.8Å; R258-E263 PolarHBondContact NH1-OE2 3.07Å; R258-E263 VanDerWaalsContact NH2-CB 3.31Å; R258-E263 IonicContact NH2-OE2 2.57Å; R258-E263 PolarHBondContact NH2-OE2 2.77Å; R258-E263 VanDerWaalsContact NH2-OE2 3.12Å; R258-A265 PolarHBondContact NH1-O 3.41Å; R258-A265 PolarHBondContact NH2-O 3.35Å; R258-M306 PolarHBondContact NE-SD 3.11Å; R258-M306 VanDerWaalsContact NE-SD 3.43Å; R258-M306 PolarHBondContact NH2-SD 3.25Å
259Q59.7Low82Confident85 Ų8545.6 Ų45.640%0.39723%0.229SC..THydrogen-bonded Turntrans-62.1-13.2178-64.4178.9-7.800113.3K256 H257 S302 V305K256-Q259 WeakPolarHBondContact O-CB 3.46Å; K256-Q259 PolarHBondContact O-N 3.46Å; K256-Q259 VanDerWaalsContact O-N 3.14Å; H257-Q259 PolarHBondContact O-N 3.44Å; Q259-S302 PolarHBondContact NE2-O 3.05Å; Q259-S302 VanDerWaalsContact NE2-O 3.07Å; Q259-V305 WeakPolarHBondContact O-CG2 3.43Å
260S54Low82.3Confident110 Ų11041.9 Ų41.977%0.76921%0.211SC*.THydrogen-bonded Turntrans-108.1-5.1178.367.20000114.7H257 R258H257-S260 PolarHBondContact O-N 2.91Å; H257-S260 PolarHBondContact O-OG 2.97Å; R258-S260 PolarHBondContact O-N 3.03Å
261C59.1Low82.6Confident53 Ų5341 Ų4136%0.35821%0.206SC..  trans-113136.9-163-127.80000113.4R258 E263 V305R258-C261 PolarHBondContact O-N 3.49Å; R258-C261 VanDerWaalsContact O-N 3.09Å; C261-E263 VanDerWaalsContact C-N 3.26Å; C261-E263 HydrophobicContact CB-CG 4.08Å; C261-E263 PolarHBondContact O-N 2.75Å; C261-V305 WeakPolarHBondContact O-CG1 3.33Å
262K67.7Low82.7Confident167 Ų16741 Ų4173%0.72621%0.206SC*.  trans-85.757.1179.2-67.5-176-179177.70112.3Q208Q208-K262 PolarHBondContact OE1-O 3.13Å
263E79.6Confident82.8Confident25 Ų2542.6 Ų42.612%0.11721%0.211CC..  trans-91143.1-177.9-66.9177.7-158.100111.8Q208 G210 V211 R258 C261 K309Q208-E263 CarbonylContact O-C 3.4Å; Q208-E263 VanDerWaalsContact O-CA 3.27Å; Q208-E263 WeakPolarHBondContact O-CA 3.28Å; G210-E263 WeakPolarHBondContact CA-OE2 2.95Å; V211-E263 WeakPolarHBondContact CG2-OE2 3.38Å; V211-E263 PolarHBondContact N-OE2 2.87Å; R258-E263 IonicContact CZ-OE2 3.8Å; R258-E263 IonicContact NE-OE2 3.13Å; R258-E263 IonicContact NH1-OE2 2.8Å; R258-E263 PolarHBondContact NH1-OE2 3.07Å; R258-E263 VanDerWaalsContact NH2-CB 3.31Å; R258-E263 IonicContact NH2-OE2 2.57Å; R258-E263 PolarHBondContact NH2-OE2 2.77Å; R258-E263 VanDerWaalsContact NH2-OE2 3.12Å; C261-E263 VanDerWaalsContact C-N 3.26Å; C261-E263 HydrophobicContact CB-CG 4.08Å; C261-E263 PolarHBondContact O-N 2.75Å; E263-K309 WeakPolarHBondContact O-CD 3.42Å; E263-K309 WeakPolarHBondContact O-CE 3.07Å; E263-K309 PolarHBondContact O-NZ 3.49Å
264D86.7Confident83Confident17 Ų1737.4 Ų37.49%0.09119%0.188CC..SBendtrans-88.5-22.3-171.8-69.9-24.1000113.3L204 R205 Q208 R209 K309 P310L204-D264 HydrophobicContact CD2-CB 3.87Å; R205-D264 WeakPolarHBondContact CB-OD2 3.32Å; R205-D264 IonicContact CZ-OD1 3.99Å; R205-D264 IonicContact CZ-OD2 3.88Å; R205-D264 PolarHBondContact N-OD2 3.1Å; R205-D264 IonicContact NE-OD1 2.86Å; R205-D264 IonicContact NE-OD2 3.91Å; R205-D264 PolarHBondContact NE-OD2 3.33Å; R205-D264 IonicContact NH2-OD1 3.1Å; R205-D264 PolarHBondContact NH2-OD1 3.23Å; R205-D264 VanDerWaalsContact NH2-OD1 3.1Å; R205-D264 IonicContact NH2-OD2 3.66Å; Q208-D264 PolarHBondContact O-N 2.9Å; R209-D264 PolarHBondContact O-N 3.07Å; D264-K309 WeakPolarHBondContact O-CB 3.36Å; D264-P310 WeakPolarHBondContact O-CD 3.36Å
265A91.2Very high83.2Confident0 Ų040 Ų400%020%0.198CC..  trans-151.1163.6179.700000112.7L204 R209 G210 F234 R258 P310L204-A265 HydrophobicContact CD2-CB 3.71Å; R209-A265 WeakPolarHBondContact O-CA 3.31Å; R209-A265 WeakPolarHBondContact O-CB 3.23Å; R209-A265 PolarHBondContact O-N 2.78Å; G210-A265 WeakPolarHBondContact CA-O 3.42Å; F234-A265 HydrophobicContact CE1-CB 4.11Å; F234-A265 HydrophobicContact CZ-CB 4.4Å; R258-A265 PolarHBondContact NH1-O 3.41Å; R258-A265 PolarHBondContact NH2-O 3.35Å; A265-P310 WeakPolarHBondContact CA-O 3.32Å; A265-P310 HydrophobicContact CB-CG 3.79Å
266F92.5Very high82.7Confident0 Ų043.7 Ų43.70%022%0.217CC..EExtended strand (participates in β ladder)trans-127.7139170.6172.2-111.3000110.3V213 V254 C268 F298 M306 P310 L312 F313V213-F266 HydrophobicContact CG2-CE2 3.91Å; V213-F266 HydrophobicContact CG2-CZ 4.42Å; V254-F266 HydrophobicContact CG1-CE2 4.07Å; F266-C268 HydrophobicContact CE1-CB 3.73Å; F266-C268 HydrophobicContact CZ-CB 3.72Å; F266-F298 AromaticContact CD1-CD1 3.91Å; F266-F298 HydrophobicContact CD1-CD1 3.91Å; F266-F298 HydrophobicContact CD1-CE1 4.08Å; F266-F298 HydrophobicContact CD1-CG 4.15Å; F266-F298 HydrophobicContact CD1-CZ 4.49Å; F266-F298 HydrophobicContact CD2-CE1 4.17Å; F266-F298 AromaticContact CE1-CD1 3.73Å; F266-F298 HydrophobicContact CE1-CD1 3.73Å; F266-F298 AromaticContact CE1-CD2 3.81Å; F266-F298 HydrophobicContact CE1-CD2 3.81Å; F266-F298 AromaticContact CE1-CE1 3.58Å; F266-F298 HydrophobicContact CE1-CE1 3.58Å; F266-F298 AromaticContact CE1-CE2 3.67Å; F266-F298 HydrophobicContact CE1-CE2 3.67Å; F266-F298 AromaticContact CE1-CG 3.85Å; F266-F298 HydrophobicContact CE1-CG 3.85Å; F266-F298 AromaticContact CE1-CZ 3.56Å; F266-F298 HydrophobicContact CE1-CZ 3.56Å; F266-F298 HydrophobicContact CE2-CD1 4.42Å; F266-F298 AromaticContact CE2-CE1 3.67Å; F266-F298 HydrophobicContact CE2-CE1 3.67Å; F266-F298 AromaticContact CE2-CZ 3.86Å; F266-F298 HydrophobicContact CE2-CZ 3.86Å; F266-F298 HydrophobicContact CG-CD1 4.34Å; F266-F298 HydrophobicContact CG-CE1 4.35Å; F266-F298 HydrophobicContact CZ-CD1 4.01Å; F266-F298 HydrophobicContact CZ-CD2 4.28Å; F266-F298 AromaticContact CZ-CE1 3.35Å; F266-F298 HydrophobicContact CZ-CE1 3.35Å; F266-F298 AromaticContact CZ-CE2 3.68Å; F266-F298 HydrophobicContact CZ-CE2 3.68Å; F266-F298 HydrophobicContact CZ-CG 4.44Å; F266-F298 AromaticContact CZ-CZ 3.17Å; F266-F298 HydrophobicContact CZ-CZ 3.17Å; F266-M306 HydrophobicContact CB-CE 3.43Å; F266-M306 VanDerWaalsContact CB-CE 3.43Å; F266-M306 HydrophobicContact CB-SD 4.47Å; F266-P310 PolarHBondContact N-O 2.92Å; F266-L312 PolarHBondContact O-N 3.15Å; F266-F313 HydrophobicContact CD1-CZ 4.36Å; F266-F313 AromaticContact CE1-CE1 3.94Å; F266-F313 HydrophobicContact CE1-CE1 3.94Å; F266-F313 AromaticContact CE1-CZ 3.97Å; F266-F313 HydrophobicContact CE1-CZ 3.97Å
267V95.7Very high82.4Confident0 Ų040.7 Ų40.70%021%0.206CC..EExtended strand (participates in β ladder)trans-126.5135.9173.6-178.50000109.6V211 C212 V213 F229 F234 L312 F314V211-V267 PolarHBondContact O-N 3.07Å; V211-V267 VanDerWaalsContact O-N 3.11Å; C212-V267 CarbonylContact C-O 3.05Å; C212-V267 VanDerWaalsContact CA-O 3.3Å; C212-V267 WeakPolarHBondContact CA-O 3.29Å; C212-V267 HydrophobicContact CB-CB 3.91Å; C212-V267 HydrophobicContact CB-CG1 4.39Å; V213-V267 PolarHBondContact N-O 2.9Å; F229-V267 HydrophobicContact CD1-CG1 4.27Å; F229-V267 HydrophobicContact CD1-CG2 4.44Å; F229-V267 HydrophobicContact CE1-CB 4.44Å; F229-V267 HydrophobicContact CE1-CG1 3.74Å; F229-V267 HydrophobicContact CE1-CG2 4.09Å; F229-V267 HydrophobicContact CE2-CG1 4.24Å; F229-V267 HydrophobicContact CZ-CG1 3.73Å; F234-V267 HydrophobicContact CD1-CG2 4.03Å; F234-V267 HydrophobicContact CE1-CB 4.5Å; F234-V267 HydrophobicContact CE1-CG2 3.47Å; F234-V267 VanDerWaalsContact CE1-CG2 3.47Å; F234-V267 HydrophobicContact CE2-CG2 4.33Å; F234-V267 HydrophobicContact CZ-CG2 3.63Å; V267-L312 CarbonylContact C-O 3.58Å; V267-L312 WeakPolarHBondContact CA-O 3.31Å; V267-L312 HydrophobicContact CG2-CB 4.25Å; V267-L312 HydrophobicContact CG2-CD1 4.11Å; V267-L312 HydrophobicContact CG2-CG 4.49Å; V267-F314 HydrophobicContact CG1-CD2 3.99Å; V267-F314 HydrophobicContact CG1-CE2 4.01Å
268C97Very high83.3Confident0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-128.1124.1170.5-174.10000109.4V213 F266 L312 F313 F314V213-C268 CarbonylContact O-C 3.51Å; V213-C268 WeakPolarHBondContact O-CA 3.41Å; F266-C268 HydrophobicContact CE1-CB 3.73Å; F266-C268 HydrophobicContact CZ-CB 3.72Å; C268-L312 PolarHBondContact N-O 3.41Å; C268-F313 HydrophobicContact CB-CD1 3.6Å; C268-F313 HydrophobicContact CB-CE1 3.86Å; C268-F313 HydrophobicContact CB-CG 4.48Å; C268-F313 CarbonylContact O-C 3.57Å; C268-F313 WeakPolarHBondContact O-CA 3.48Å; C268-F314 PolarHBondContact O-N 2.89Å
269C98.1Very high84.5Confident0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-114.2127.1172.1-59.90000109.4V213 I214 I215 L225 F229 F314V213-C269 PolarHBondContact O-N 3.26Å; I214-C269 WeakPolarHBondContact CA-O 3.46Å; I214-C269 HydrophobicContact CG1-CB 4.18Å; I214-C269 HydrophobicContact CG2-CB 4.43Å; I215-C269 PolarHBondContact N-O 3.41Å; L225-C269 HydrophobicContact CD1-CB 3.81Å; F229-C269 VanDerWaalsContact CE2-SG 3.59Å; C269-F314 VanDerWaalsContact CA-O 3.23Å; C269-F314 WeakPolarHBondContact CA-O 3.3Å
270I97.4Very high86Confident1 Ų132.5 Ų32.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-125.7125.7178.2-56.3176000108.8I215 L251 I279 I294 F314 I315 Q316I215-I270 HydrophobicContact CB-CG1 4.46Å; I215-I270 WeakPolarHBondContact O-CA 3.22Å; L251-I270 HydrophobicContact CD1-CD1 4.31Å; I270-I279 HydrophobicContact CD1-CD1 4.02Å; I270-I279 HydrophobicContact CG2-CD1 4.12Å; I270-I279 HydrophobicContact CG2-CG2 4.16Å; I270-I294 HydrophobicContact CD1-CD1 3.65Å; I270-I294 HydrophobicContact CD1-CG1 4.49Å; I270-I294 HydrophobicContact CD1-CG2 4.46Å; I270-F314 PolarHBondContact N-O 3.03Å; I270-I315 HydrophobicContact CB-CG1 4.41Å; I270-I315 HydrophobicContact CB-CG2 4.49Å; I270-I315 CarbonylContact O-C 3.59Å; I270-I315 WeakPolarHBondContact O-CA 3.45Å; I270-Q316 PolarHBondContact O-N 3.19Å
271I96.7Very high87.8Confident2 Ų227.3 Ų27.31%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-116.9113.6174.1-46.5174.4000106.3I215 D216 C217 V218 D221 L225 Q316 Y318 L368I215-I271 PolarHBondContact O-N 3.41Å; D216-I271 HydrophobicContact CB-CD1 4.15Å; C217-I271 VanDerWaalsContact CB-O 3.31Å; C217-I271 WeakPolarHBondContact CB-O 3.45Å; C217-I271 PolarHBondContact N-O 2.95Å; C217-I271 PolarHBondContact SG-O 2.69Å; C217-I271 VanDerWaalsContact SG-O 3.41Å; V218-I271 HydrophobicContact CB-CG2 4.24Å; V218-I271 HydrophobicContact CG2-CG2 4.07Å; D221-I271 HydrophobicContact CB-CD1 3.92Å; L225-I271 HydrophobicContact CD1-CD1 3.95Å; L225-I271 HydrophobicContact CD1-CG1 4.39Å; I271-Q316 WeakPolarHBondContact CA-O 3.45Å; I271-Q316 HydrophobicContact CG2-CB 4.25Å; I271-Q316 HydrophobicContact CG2-CG 4.19Å; I271-Y318 HydrophobicContact CG2-CE2 4.1Å; I271-L368 HydrophobicContact CD1-CD1 3.49Å; I271-L368 VanDerWaalsContact CD1-CD1 3.49Å; I271-L368 HydrophobicContact CG1-CD1 3.76Å; I271-L368 HydrophobicContact CG2-CD1 4.43Å
272S95.1Very high89.2Confident0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-157.5161.4-170.8-1580000113.6G281 Q316 S317 Y318S272-G281 WeakPolarHBondContact OG-CA 3.27Å; S272-G281 PolarHBondContact OG-N 3.49Å; S272-Q316 PolarHBondContact N-O 2.86Å; S272-S317 CarbonylContact O-C 3.58Å; S272-S317 VanDerWaalsContact O-CA 3.28Å; S272-S317 WeakPolarHBondContact O-CA 3.46Å; S272-Y318 PolarHBondContact O-N 3.15Å
273R92.8Very high90.1Very high58 Ų5821.8 Ų21.822%0.21911%0.111CC..EExtended strand (participates in β ladder)trans-73.7152.6162.6-65-177.3-69146.29.2110L280 T282 D283 Y318 V320 E355 L358R273-L280 HydrophobicContact CB-CB 4.49Å; R273-L280 PolarHBondContact O-N 3.07Å; R273-T282 PolarHBondContact NH2-O 3.31Å; R273-D283 PolarHBondContact NH2-O 3.28Å; R273-Y318 CarbonylContact C-O 3.56Å; R273-Y318 VanDerWaalsContact CA-O 3.28Å; R273-Y318 WeakPolarHBondContact CA-O 3.46Å; R273-V320 HydrophobicContact CB-CG2 4.16Å; R273-E355 WeakPolarHBondContact CD-OE1 3.38Å; R273-E355 IonicContact NE-OE1 2.87Å; R273-E355 IonicContact NH1-OE1 3.2Å; R273-L358 HydrophobicContact CG-CD1 4.28Å
274S90.9Very high89.8Confident3 Ų324.8 Ų24.82%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-143.5153.7-178.561.80000113.6N278 S317 Y318 V319 V320S274-N278 CarbonylContact C-O 3.6Å; S274-N278 WeakPolarHBondContact CA-O 3.25Å; S274-N278 VanDerWaalsContact CB-O 3.3Å; S274-N278 WeakPolarHBondContact CB-O 3.49Å; S274-S317 WeakPolarHBondContact OG-CB 3.43Å; S274-Y318 PolarHBondContact N-O 3.31Å; S274-V319 WeakPolarHBondContact O-CA 3.37Å; S274-V320 PolarHBondContact O-N 3Å
275F87.8Confident88.7Confident65 Ų6532.1 Ų32.129%0.28517%0.167SC..EExtended strand (participates in β ladder)trans-143.1129.9175.3-179.5-92000109.9D277 N278 L280 E322F275-D277 VanDerWaalsContact C-N 3.33Å; F275-D277 PolarHBondContact O-N 2.97Å; F275-N278 PolarHBondContact N-O 3.48Å; F275-N278 WeakPolarHBondContact O-CB 3.34Å; F275-N278 PolarHBondContact O-N 3.38Å; F275-L280 HydrophobicContact CB-CD1 4.01Å; F275-L280 HydrophobicContact CB-CD2 4.36Å; F275-L280 HydrophobicContact CB-CG 4.4Å; F275-E322 HydrophobicContact CE2-CB 4.34Å; F275-E322 HydrophobicContact CE2-CG 3.34Å; F275-E322 HydrophobicContact CZ-CG 3.49Å; F275-E322 VanDerWaalsContact CZ-CG 3.49Å
276D74.4Confident87.6Confident85 Ų8534.6 Ų34.646%0.45519%0.193SC..THydrogen-bonded Turntrans40.457.1-178.5-76.6-8.9000113.3N278D276-N278 PolarHBondContact O-N 2.83Å; D276-N278 VanDerWaalsContact O-N 3.14Å; D276-N278 PolarHBondContact O-ND2 3.42Å
277D76.3Confident86.8Confident41 Ų4145.7 Ų45.722%0.21924%0.235CC..THydrogen-bonded Turntrans69.5-3.9-177.5-62.3-43.8000117.2F275 M336 R337F275-D277 VanDerWaalsContact C-N 3.33Å; F275-D277 PolarHBondContact O-N 2.97Å; D277-M336 WeakPolarHBondContact OD1-CA 3.27Å; D277-M336 WeakPolarHBondContact OD1-CB 3.25Å; D277-M336 WeakPolarHBondContact OD1-CG 3.49Å; D277-R337 PolarHBondContact OD2-N 3.35Å
278N89.1Confident86.3Confident41 Ų4146.9 Ų46.922%0.21925%0.248CC..EExtended strand (participates in β ladder)trans-97.4137.2-177.7-59.7-68.4000112.6S274 F275 D276 R287 S290S274-N278 CarbonylContact C-O 3.6Å; S274-N278 WeakPolarHBondContact CA-O 3.25Å; S274-N278 VanDerWaalsContact CB-O 3.3Å; S274-N278 WeakPolarHBondContact CB-O 3.49Å; F275-N278 PolarHBondContact N-O 3.48Å; F275-N278 WeakPolarHBondContact O-CB 3.34Å; F275-N278 PolarHBondContact O-N 3.38Å; D276-N278 PolarHBondContact O-N 2.83Å; D276-N278 VanDerWaalsContact O-N 3.14Å; D276-N278 PolarHBondContact O-ND2 3.42Å; N278-R287 WeakPolarHBondContact CB-O 3.48Å; N278-R287 VanDerWaalsContact CG-O 3.24Å; N278-R287 PolarHBondContact ND2-O 3.26Å; N278-S290 VanDerWaalsContact OD1-CA 3.28Å; N278-S290 WeakPolarHBondContact OD1-CA 3.32Å; N278-S290 WeakPolarHBondContact OD1-CB 3.49Å; N278-S290 PolarHBondContact OD1-N 3.18Å
279I92.7Very high85.9Confident4 Ų447.3 Ų47.32%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-78.1122.2174.9-72.4159.5000109.3I247 I270 G288 L289 I294 I315I247-I279 HydrophobicContact CD1-CG2 3.88Å; I270-I279 HydrophobicContact CD1-CD1 4.02Å; I270-I279 HydrophobicContact CG2-CD1 4.12Å; I270-I279 HydrophobicContact CG2-CG2 4.16Å; I279-G288 CarbonylContact O-C 3.5Å; I279-G288 VanDerWaalsContact O-CA 3.27Å; I279-G288 WeakPolarHBondContact O-CA 3.44Å; I279-L289 HydrophobicContact CB-CB 4.38Å; I279-L289 PolarHBondContact N-O 3.04Å; I279-L289 PolarHBondContact O-N 3.08Å; I279-I294 HydrophobicContact CD1-CD1 3.4Å; I279-I294 VanDerWaalsContact CD1-CD1 3.4Å; I279-I315 HydrophobicContact CD1-CD1 4.42Å; I279-I315 HydrophobicContact CD1-CG2 4.46Å
280L91.1Very high85.4Confident11 Ų1148.7 Ų48.76%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-91.8-21.7-176.4-62.8178.1000113.5R273 F275 D283 V320R273-L280 HydrophobicContact CB-CB 4.49Å; R273-L280 PolarHBondContact O-N 3.07Å; F275-L280 HydrophobicContact CB-CD1 4.01Å; F275-L280 HydrophobicContact CB-CD2 4.36Å; F275-L280 HydrophobicContact CB-CG 4.4Å; L280-D283 VanDerWaalsContact O-CB 3.31Å; L280-D283 WeakPolarHBondContact O-CB 3.39Å; L280-D283 PolarHBondContact O-N 3.14Å; L280-D283 VanDerWaalsContact O-N 3.17Å; L280-V320 HydrophobicContact CD1-CG2 4.13Å
281G91.4Very high84.7Confident0 Ų048.8 Ų48.80%026%0.26CS..EExtended strand (participates in β ladder)trans63.5-137.7-16900000111.4L242 S272 D283L242-G281 CarbonylContact O-C 3.48Å; L242-G281 WeakPolarHBondContact O-CA 3.25Å; S272-G281 WeakPolarHBondContact OG-CA 3.27Å; S272-G281 PolarHBondContact OG-N 3.49Å; G281-D283 VanDerWaalsContact C-N 3.29Å
282T89.8Confident84.1Confident51 Ų5154.6 Ų54.631%0.31329%0.286SS..THydrogen-bonded Turntrans-81.9-4.8172.253.50000113.8M241 L242 G243 R273 S284M241-T282 VanDerWaalsContact C-CG2 3.47Å; M241-T282 HydrophobicContact CB-CG2 4.14Å; M241-T282 HydrophobicContact CE-CG2 3.92Å; M241-T282 HydrophobicContact SD-CG2 4.49Å; L242-T282 PolarHBondContact O-N 3.28Å; G243-T282 WeakPolarHBondContact CA-OG1 3.37Å; G243-T282 PolarHBondContact N-OG1 2.72Å; R273-T282 PolarHBondContact NH2-O 3.31Å; T282-S284 PolarHBondContact O-N 2.86Å
283D86.1Confident83.7Confident54 Ų5457.9 Ų57.929%0.28930%0.303SS..  trans-67.1134.4-173.2-57.9-25.3000110.6G243 A244 R273 L280 G281G243-D283 WeakPolarHBondContact CA-OD1 3.44Å; A244-D283 VanDerWaalsContact CB-OD2 3.32Å; A244-D283 WeakPolarHBondContact CB-OD2 3.31Å; A244-D283 PolarHBondContact N-OD2 3.13Å; R273-D283 PolarHBondContact NH2-O 3.28Å; L280-D283 VanDerWaalsContact O-CB 3.31Å; L280-D283 WeakPolarHBondContact O-CB 3.39Å; L280-D283 PolarHBondContact O-N 3.14Å; L280-D283 VanDerWaalsContact O-N 3.17Å; G281-D283 VanDerWaalsContact C-N 3.29Å
284S72.8Confident83.4Confident88 Ų8855.1 Ų55.162%0.61529%0.293SS*.SBendtrans-77.4-31.4177.950.90000112.3T282T282-S284 PolarHBondContact O-N 2.86Å
285H63.8Low83.1Confident170 Ų17055.9 Ų55.979%0.78730%0.295SS*.SBendtrans-148.1143.7178.7-59.1-62.4000110.3
286G67.6Low82.9Confident53 Ų5355.3 Ų55.355%0.54630%0.295SS..SBendtrans161.7172.7178.200000111.7G288G286-G288 PolarHBondContact O-N 2.88Å
287R75.6Confident83.4Confident233 Ų23352.2 Ų52.288%0.87928%0.278SS*.  trans-71.4-13.2172.9-74.8-163.4-74.6-136.6-1.5113.1N278N278-R287 WeakPolarHBondContact CB-O 3.48Å; N278-R287 VanDerWaalsContact CG-O 3.24Å; N278-R287 PolarHBondContact ND2-O 3.26Å
288G85.3Confident83.5Confident25 Ų2550.4 Ų50.426%0.25827%0.269SS..  trans63.7-177.5-172.800000113.1I279 G286I279-G288 CarbonylContact O-C 3.5Å; I279-G288 VanDerWaalsContact O-CA 3.27Å; I279-G288 WeakPolarHBondContact O-CA 3.44Å; G286-G288 PolarHBondContact O-N 2.88Å
289L88.7Confident82.7Confident9 Ų950.5 Ų50.55%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-104.6118.2179.3-179.362.1000109.6A244 I247 F248 I279 N293 I294A244-L289 HydrophobicContact CB-CB 4.31Å; I247-L289 HydrophobicContact CB-CD2 4.29Å; I247-L289 HydrophobicContact CG2-CD2 3.74Å; F248-L289 HydrophobicContact CB-CD1 4.1Å; F248-L289 HydrophobicContact CB-CD2 3.99Å; F248-L289 HydrophobicContact CD2-CD1 3.72Å; F248-L289 HydrophobicContact CD2-CD2 4.43Å; F248-L289 HydrophobicContact CG-CD1 4.22Å; I279-L289 HydrophobicContact CB-CB 4.38Å; I279-L289 PolarHBondContact N-O 3.04Å; I279-L289 PolarHBondContact O-N 3.08Å; L289-N293 HydrophobicContact CD1-CB 3.57Å; L289-I294 HydrophobicContact CD2-CD1 3.79Å; L289-I294 HydrophobicContact CD2-CG1 3.57Å; L289-I294 HydrophobicContact CG-CD1 4.07Å; L289-I294 HydrophobicContact CG-CG1 3.95Å
290S88.9Confident81.2Confident28 Ų2851.7 Ų51.720%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-69.2145.5176.578.80000111.1N278 K292 N293 I294N278-S290 VanDerWaalsContact OD1-CA 3.28Å; N278-S290 WeakPolarHBondContact OD1-CA 3.32Å; N278-S290 WeakPolarHBondContact OD1-CB 3.49Å; N278-S290 PolarHBondContact OD1-N 3.18Å; S290-K292 PolarHBondContact O-N 3.22Å; S290-N293 WeakPolarHBondContact O-CB 3.23Å; S290-N293 PolarHBondContact O-N 2.89Å; S290-N293 PolarHBondContact OG-N 3.28Å; S290-N293 PolarHBondContact OG-OD1 2.89Å; S290-N293 VanDerWaalsContact OG-OD1 3.08Å; S290-I294 PolarHBondContact O-N 3.32Å
291A82.1Confident80Confident4 Ų458.6 Ų58.63%0.03332%0.319CS..Hα-helixtrans-53.8-36171.600000113.5N293 I294 R295 E338 W348A291-N293 PolarHBondContact O-N 3.39Å; A291-I294 WeakPolarHBondContact O-CB 3.28Å; A291-I294 PolarHBondContact O-N 3.36Å; A291-R295 PolarHBondContact O-N 2.57Å; A291-E338 WeakPolarHBondContact CB-OE1 3.03Å; A291-E338 VanDerWaalsContact CB-OE2 3.24Å; A291-E338 WeakPolarHBondContact CB-OE2 3.22Å; A291-W348 HydrophobicContact CB-CH2 3.62Å; A291-W348 HydrophobicContact CB-CZ2 3.26Å
292K83.8Confident78.7Confident124 Ų12461.1 Ų61.154%0.53934%0.337SS..Hα-helixtrans-59.1-46.4175.2-177.2-178.7175-178.30111.3S290 I294 R295 D296S290-K292 PolarHBondContact O-N 3.22Å; K292-I294 PolarHBondContact O-N 2.85Å; K292-R295 PolarHBondContact O-N 2.91Å; K292-R295 VanDerWaalsContact O-N 3.13Å; K292-D296 WeakPolarHBondContact CE-OD2 3.39Å; K292-D296 WeakPolarHBondContact O-CB 3.23Å; K292-D296 PolarHBondContact O-N 3.23Å
293N86.3Confident77.5Confident69 Ų6958.7 Ų58.737%0.36932%0.322SS..Hα-helixtrans-59.5-35.5179.1-68.32.9000111.8F248 L289 S290 A291 L297F248-N293 HydrophobicContact CD2-CB 4.47Å; F248-N293 HydrophobicContact CE2-CB 4.21Å; L289-N293 HydrophobicContact CD1-CB 3.57Å; S290-N293 WeakPolarHBondContact O-CB 3.23Å; S290-N293 PolarHBondContact O-N 2.89Å; S290-N293 PolarHBondContact OG-N 3.28Å; S290-N293 PolarHBondContact OG-OD1 2.89Å; S290-N293 VanDerWaalsContact OG-OD1 3.08Å; A291-N293 PolarHBondContact O-N 3.39Å; N293-L297 WeakPolarHBondContact O-CG 3.25Å
294I87.3Confident76.9Confident0 Ų059.4 Ų59.40%033%0.329CS..Hα-helixtrans-68.6-47.2175.9-67.9159000111L251 I270 I279 L289 S290 A291 K292 D296 L297 F298 F313 W348L251-I294 HydrophobicContact CD1-CG1 4.08Å; L251-I294 HydrophobicContact CD1-CG2 3.94Å; I270-I294 HydrophobicContact CD1-CD1 3.65Å; I270-I294 HydrophobicContact CD1-CG1 4.49Å; I270-I294 HydrophobicContact CD1-CG2 4.46Å; I279-I294 HydrophobicContact CD1-CD1 3.4Å; I279-I294 VanDerWaalsContact CD1-CD1 3.4Å; L289-I294 HydrophobicContact CD2-CD1 3.79Å; L289-I294 HydrophobicContact CD2-CG1 3.57Å; L289-I294 HydrophobicContact CG-CD1 4.07Å; L289-I294 HydrophobicContact CG-CG1 3.95Å; S290-I294 PolarHBondContact O-N 3.32Å; A291-I294 WeakPolarHBondContact O-CB 3.28Å; A291-I294 PolarHBondContact O-N 3.36Å; K292-I294 PolarHBondContact O-N 2.85Å; I294-D296 PolarHBondContact O-N 3.35Å; I294-L297 PolarHBondContact O-N 3.14Å; I294-F298 WeakPolarHBondContact O-CD2 3.26Å; I294-F313 HydrophobicContact CG2-CD1 4.08Å; I294-F313 HydrophobicContact CG2-CE1 3.74Å; I294-W348 HydrophobicContact CG2-CH2 4.47Å; I294-W348 HydrophobicContact CG2-CZ3 4.48Å
295R84.1Confident77Confident19 Ų1957.3 Ų57.37%0.07231%0.313CS..Hα-helixtrans-63.4-40.8179-68.6-167.8-62.8-97.87.7112.2A291 K292 L297 F298 E338 W348A291-R295 PolarHBondContact O-N 2.57Å; K292-R295 PolarHBondContact O-N 2.91Å; K292-R295 VanDerWaalsContact O-N 3.13Å; R295-L297 PolarHBondContact O-N 2.85Å; R295-L297 VanDerWaalsContact O-N 3.1Å; R295-F298 PolarHBondContact O-N 3.01Å; R295-E338 IonicContact CZ-OE2 2.9Å; R295-E338 IonicContact NH1-OE2 2.8Å; R295-E338 PolarHBondContact NH1-OE2 2.98Å; R295-E338 IonicContact NH2-OE2 3.59Å; R295-W348 HydrophobicContact CG-CE3 3.68Å; R295-W348 HydrophobicContact CG-CH2 4.06Å; R295-W348 HydrophobicContact CG-CZ3 3.3Å
296D84.9Confident77.6Confident52 Ų5249.3 Ų49.328%0.27828%0.276SS..Hα-helixtrans-58.2-27.2-177.6-76-2.9000112.7K292 I294 F298 L299 S302K292-D296 WeakPolarHBondContact CE-OD2 3.39Å; K292-D296 WeakPolarHBondContact O-CB 3.23Å; K292-D296 PolarHBondContact O-N 3.23Å; I294-D296 PolarHBondContact O-N 3.35Å; D296-F298 VanDerWaalsContact C-N 3.27Å; D296-F298 PolarHBondContact O-N 2.82Å; D296-L299 HydrophobicContact CB-CD1 4.29Å; D296-L299 WeakPolarHBondContact O-CG 3.47Å; D296-S302 WeakPolarHBondContact O-CB 3.5Å; D296-S302 PolarHBondContact O-OG 3.21Å
297L83.5Confident78.3Confident21 Ų2150.8 Ų50.811%0.1127%0.274CS..THydrogen-bonded Turntrans-67.9-22.7175.9-67.6173.9000113.7F248 L251 K252 S255 N293 I294 R295F248-L297 HydrophobicContact CD2-CD1 3.92Å; F248-L297 HydrophobicContact CE2-CD1 3.78Å; F248-L297 HydrophobicContact CE2-CD2 3.91Å; F248-L297 HydrophobicContact CE2-CG 3.94Å; F248-L297 HydrophobicContact CZ-CD1 4.47Å; F248-L297 HydrophobicContact CZ-CD2 3.9Å; F248-L297 HydrophobicContact CZ-CG 4.44Å; L251-L297 HydrophobicContact CB-CD1 3.75Å; K252-L297 HydrophobicContact CB-CD1 4.25Å; K252-L297 HydrophobicContact CB-CD2 3.97Å; K252-L297 HydrophobicContact CG-CD2 4.11Å; S255-L297 WeakPolarHBondContact CB-O 3.31Å; S255-L297 PolarHBondContact OG-O 3.28Å; N293-L297 WeakPolarHBondContact O-CG 3.25Å; I294-L297 PolarHBondContact O-N 3.14Å; R295-L297 PolarHBondContact O-N 2.85Å; R295-L297 VanDerWaalsContact O-N 3.1Å
298F78.1Confident78.7Confident3 Ų341.3 Ų41.31%0.01325%0.248CC..THydrogen-bonded Turntrans-116.615.1-173.8-60.1-81.7000113.4L251 F266 I294 R295 D296 K311 F313L251-F298 HydrophobicContact CB-CE2 4.33Å; L251-F298 HydrophobicContact CB-CZ 4.38Å; L251-F298 HydrophobicContact CD2-CE2 4.5Å; L251-F298 HydrophobicContact CD2-CZ 4.42Å; F266-F298 AromaticContact CD1-CD1 3.91Å; F266-F298 HydrophobicContact CD1-CD1 3.91Å; F266-F298 HydrophobicContact CD1-CE1 4.08Å; F266-F298 HydrophobicContact CD1-CG 4.15Å; F266-F298 HydrophobicContact CD1-CZ 4.49Å; F266-F298 HydrophobicContact CD2-CE1 4.17Å; F266-F298 AromaticContact CE1-CD1 3.73Å; F266-F298 HydrophobicContact CE1-CD1 3.73Å; F266-F298 AromaticContact CE1-CD2 3.81Å; F266-F298 HydrophobicContact CE1-CD2 3.81Å; F266-F298 AromaticContact CE1-CE1 3.58Å; F266-F298 HydrophobicContact CE1-CE1 3.58Å; F266-F298 AromaticContact CE1-CE2 3.67Å; F266-F298 HydrophobicContact CE1-CE2 3.67Å; F266-F298 AromaticContact CE1-CG 3.85Å; F266-F298 HydrophobicContact CE1-CG 3.85Å; F266-F298 AromaticContact CE1-CZ 3.56Å; F266-F298 HydrophobicContact CE1-CZ 3.56Å; F266-F298 HydrophobicContact CE2-CD1 4.42Å; F266-F298 AromaticContact CE2-CE1 3.67Å; F266-F298 HydrophobicContact CE2-CE1 3.67Å; F266-F298 AromaticContact CE2-CZ 3.86Å; F266-F298 HydrophobicContact CE2-CZ 3.86Å; F266-F298 HydrophobicContact CG-CD1 4.34Å; F266-F298 HydrophobicContact CG-CE1 4.35Å; F266-F298 HydrophobicContact CZ-CD1 4.01Å; F266-F298 HydrophobicContact CZ-CD2 4.28Å; F266-F298 AromaticContact CZ-CE1 3.35Å; F266-F298 HydrophobicContact CZ-CE1 3.35Å; F266-F298 AromaticContact CZ-CE2 3.68Å; F266-F298 HydrophobicContact CZ-CE2 3.68Å; F266-F298 HydrophobicContact CZ-CG 4.44Å; F266-F298 AromaticContact CZ-CZ 3.17Å; F266-F298 HydrophobicContact CZ-CZ 3.17Å; I294-F298 WeakPolarHBondContact O-CD2 3.26Å; R295-F298 PolarHBondContact O-N 3.01Å; D296-F298 VanDerWaalsContact C-N 3.27Å; D296-F298 PolarHBondContact O-N 2.82Å; F298-K311 HydrophobicContact CB-CD 4.27Å; F298-K311 VanDerWaalsContact O-CD 3.28Å; F298-K311 WeakPolarHBondContact O-CD 3.38Å; F298-F313 HydrophobicContact CB-CZ 4.44Å; F298-F313 HydrophobicContact CD2-CE1 4.17Å; F298-F313 AromaticContact CD2-CZ 3.95Å; F298-F313 HydrophobicContact CD2-CZ 3.95Å; F298-F313 HydrophobicContact CG-CZ 4.41Å
299L72.8Confident78.9Confident42 Ų4242.2 Ų42.222%0.2225%0.246CC..SBendtrans-64.1157.9173.2-61.1-175.7000112.5D296 D301 S302 C303 E343D296-L299 HydrophobicContact CB-CD1 4.29Å; D296-L299 WeakPolarHBondContact O-CG 3.47Å; L299-D301 PolarHBondContact O-N 2.86Å; L299-S302 PolarHBondContact O-N 3.38Å; L299-S302 VanDerWaalsContact O-N 3.09Å; L299-C303 PolarHBondContact O-N 3.16Å; L299-E343 HydrophobicContact CD2-CB 3.68Å; L299-E343 HydrophobicContact CD2-CG 3.28Å
300G60.9Low79.1Confident29 Ų2941.9 Ų41.930%0.29924%0.244SC..THydrogen-bonded Turntrans-55.3-39.1176.600000112.9C303 P304G300-C303 CarbonylContact O-C 3.59Å; G300-P304 WeakPolarHBondContact O-CA 3.22Å; G300-P304 WeakPolarHBondContact O-CD 3.43Å; G300-P304 WeakPolarHBondContact O-CG 2.94Å; G300-P304 VanDerWaalsContact O-N 3.1Å
301D65.4Low79.3Confident157 Ų15741 Ų4184%0.8424%0.237SC*.THydrogen-bonded Turntrans-69.7-36.2178.4-63.9-6.5000112.4L299L299-D301 PolarHBondContact O-N 2.86Å
302S64.9Low79.9Confident52 Ų5240.9 Ų40.936%0.36424%0.235SC..THydrogen-bonded Turntrans-82.2-31.6-179.4-56.90000112.7Q259 D296 L299Q259-S302 PolarHBondContact NE2-O 3.05Å; Q259-S302 VanDerWaalsContact NE2-O 3.07Å; D296-S302 WeakPolarHBondContact O-CB 3.5Å; D296-S302 PolarHBondContact O-OG 3.21Å; L299-S302 PolarHBondContact O-N 3.38Å; L299-S302 VanDerWaalsContact O-N 3.09Å
303C65.4Low80.5Confident0 Ų035 Ų350%021%0.21CC..  trans-141.976.9-177.7-1600000110.7L299 G300 V305 M306L299-C303 PolarHBondContact O-N 3.16Å; G300-C303 CarbonylContact O-C 3.59Å; C303-V305 PolarHBondContact O-N 3.31Å; C303-M306 HydrophobicContact CB-CB 4.37Å; C303-M306 HydrophobicContact CB-CG 4.23Å; C303-M306 WeakPolarHBondContact O-CB 3.31Å; C303-M306 PolarHBondContact O-N 2.99Å; C303-M306 VanDerWaalsContact SG-CG 3.54Å
304P72.1Confident81.1Confident69 Ų6931.8 Ų31.845%0.44819%0.192SC..G310 helixtrans-57.3-27.4-175.3-27.535000114.2G300 M306 V307G300-P304 WeakPolarHBondContact O-CA 3.22Å; G300-P304 WeakPolarHBondContact O-CD 3.43Å; G300-P304 WeakPolarHBondContact O-CG 2.94Å; G300-P304 VanDerWaalsContact O-N 3.1Å; P304-M306 PolarHBondContact O-N 2.55Å; P304-V307 WeakPolarHBondContact O-CB 3.41Å; P304-V307 WeakPolarHBondContact O-CG2 3.29Å; P304-V307 PolarHBondContact O-N 3.31Å
305V75.4Confident81.5Confident45 Ų4531.9 Ų31.927%0.27319%0.193SC..G310 helixtrans-66.6-16.7178.6-172.50000112.7Q259 C261 C303 K309Q259-V305 WeakPolarHBondContact O-CG2 3.43Å; C261-V305 WeakPolarHBondContact O-CG1 3.33Å; C303-V305 PolarHBondContact O-N 3.31Å; V305-K309 WeakPolarHBondContact O-CD 3.44Å; V305-K309 WeakPolarHBondContact O-CE 3.44Å; V305-K309 PolarHBondContact O-NZ 2.89Å
306M75.9Confident82.1Confident1 Ų131 Ų311%0.00519%0.189CC..G310 helixtrans-97.81.6179-66-56.9-58.900114.2R258 F266 C303 P304 G308 K309 K311R258-M306 PolarHBondContact NE-SD 3.11Å; R258-M306 VanDerWaalsContact NE-SD 3.43Å; R258-M306 PolarHBondContact NH2-SD 3.25Å; F266-M306 HydrophobicContact CB-CE 3.43Å; F266-M306 VanDerWaalsContact CB-CE 3.43Å; F266-M306 HydrophobicContact CB-SD 4.47Å; C303-M306 HydrophobicContact CB-CB 4.37Å; C303-M306 HydrophobicContact CB-CG 4.23Å; C303-M306 WeakPolarHBondContact O-CB 3.31Å; C303-M306 PolarHBondContact O-N 2.99Å; C303-M306 VanDerWaalsContact SG-CG 3.54Å; P304-M306 PolarHBondContact O-N 2.55Å; M306-G308 PolarHBondContact O-N 3.09Å; M306-K309 HydrophobicContact CE-CB 4.04Å; M306-K309 PolarHBondContact O-N 2.8Å; M306-K309 HydrophobicContact SD-CD 4.38Å; M306-K311 HydrophobicContact CB-CD 4.33Å; M306-K311 HydrophobicContact CE-CG 3.78Å; M306-K311 PolarHBondContact O-NZ 3.41Å
307V82.6Confident82.6Confident85 Ų8528.5 Ų28.552%0.51518%0.176SC..THydrogen-bonded Turntrans-64.7129.8173.1176.40000109.6P304 K309P304-V307 WeakPolarHBondContact O-CB 3.41Å; P304-V307 WeakPolarHBondContact O-CG2 3.29Å; P304-V307 PolarHBondContact O-N 3.31Å; V307-K309 PolarHBondContact O-N 3.07Å
308G84.3Confident83.1Confident33 Ų3327.5 Ų27.534%0.3417%0.171SC..THydrogen-bonded Turntrans80.1-0-179.300000115.1Y202 M306 D345Y202-G308 WeakPolarHBondContact CE1-O 3.34Å; M306-G308 PolarHBondContact O-N 3.09Å; G308-D345 WeakPolarHBondContact CA-OD2 3.3Å; G308-D345 PolarHBondContact N-OD2 3.32Å
309K89Confident83.8Confident45 Ų4529 Ų2920%0.19618%0.18CC..SBendtrans-113.1142.1-176.4-64.5-178.9-176164.60111.3E263 D264 V305 M306 V307 K311 D345E263-K309 WeakPolarHBondContact O-CD 3.42Å; E263-K309 WeakPolarHBondContact O-CE 3.07Å; E263-K309 PolarHBondContact O-NZ 3.49Å; D264-K309 WeakPolarHBondContact O-CB 3.36Å; V305-K309 WeakPolarHBondContact O-CD 3.44Å; V305-K309 WeakPolarHBondContact O-CE 3.44Å; V305-K309 PolarHBondContact O-NZ 2.89Å; M306-K309 HydrophobicContact CE-CB 4.04Å; M306-K309 PolarHBondContact O-N 2.8Å; M306-K309 HydrophobicContact SD-CD 4.38Å; V307-K309 PolarHBondContact O-N 3.07Å; K309-K311 PolarHBondContact O-N 3.13Å; K309-K311 PolarHBondContact O-NZ 2.79Å; K309-D345 WeakPolarHBondContact O-CB 3.03Å
310P93.3Very high84.5Confident2 Ų228.6 Ų28.61%0.01318%0.18CC..  trans-67.5133.5-177.328.2-34000111.6Y202 L204 D264 A265 F266 L312 D345 L416 L420Y202-P310 HydrophobicContact CD1-CG 4.23Å; Y202-P310 HydrophobicContact CG-CG 4.19Å; L204-P310 HydrophobicContact CD2-CG 4.19Å; D264-P310 WeakPolarHBondContact O-CD 3.36Å; A265-P310 WeakPolarHBondContact CA-O 3.32Å; A265-P310 HydrophobicContact CB-CG 3.79Å; F266-P310 PolarHBondContact N-O 2.92Å; P310-L312 HydrophobicContact CB-CD2 4.18Å; P310-D345 CarbonylContact C-O 3.56Å; P310-D345 WeakPolarHBondContact CA-O 3.43Å; P310-L416 HydrophobicContact CB-CD2 4.16Å; P310-L420 HydrophobicContact CB-CD1 4.26Å; P310-L420 HydrophobicContact CB-CD2 3.7Å; P310-L420 HydrophobicContact CG-CD1 3.9Å; P310-L420 HydrophobicContact CG-CD2 4.22Å
311K93.4Very high85.4Confident10 Ų1031 Ų314%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-118.8109.8176.2-66.9160.4-72.5-70.70107.6F298 M306 K309 F313 A344 D345 V346 L347F298-K311 HydrophobicContact CB-CD 4.27Å; F298-K311 VanDerWaalsContact O-CD 3.28Å; F298-K311 WeakPolarHBondContact O-CD 3.38Å; M306-K311 HydrophobicContact CB-CD 4.33Å; M306-K311 HydrophobicContact CE-CG 3.78Å; M306-K311 PolarHBondContact O-NZ 3.41Å; K309-K311 PolarHBondContact O-N 3.13Å; K309-K311 PolarHBondContact O-NZ 2.79Å; K311-F313 HydrophobicContact CB-CE2 4.01Å; K311-A344 VanDerWaalsContact CE-O 3.29Å; K311-A344 WeakPolarHBondContact CE-O 3.28Å; K311-A344 PolarHBondContact NZ-O 2.77Å; K311-A344 VanDerWaalsContact NZ-O 3.13Å; K311-D345 PolarHBondContact N-O 3.08Å; K311-V346 HydrophobicContact CB-CG2 4.28Å; K311-V346 HydrophobicContact CD-CG2 4.41Å; K311-V346 CarbonylContact O-C 3.47Å; K311-V346 WeakPolarHBondContact O-CA 3.28Å; K311-L347 PolarHBondContact O-N 3.14Å
312L95.7Very high85.4Confident0 Ų030.1 Ų30.10%018%0.181CC..EExtended strand (participates in β ladder)trans-111.3125.6-169.8-47.9-179.8000109.8F266 V267 C268 P310 F314 L347 L385 L416 L420 L422F266-L312 PolarHBondContact O-N 3.15Å; V267-L312 CarbonylContact C-O 3.58Å; V267-L312 WeakPolarHBondContact CA-O 3.31Å; V267-L312 HydrophobicContact CG2-CB 4.25Å; V267-L312 HydrophobicContact CG2-CD1 4.11Å; V267-L312 HydrophobicContact CG2-CG 4.49Å; C268-L312 PolarHBondContact N-O 3.41Å; P310-L312 HydrophobicContact CB-CD2 4.18Å; L312-F314 HydrophobicContact CB-CE2 3.79Å; L312-F314 HydrophobicContact CB-CZ 4.09Å; L312-F314 HydrophobicContact CD1-CE2 4.46Å; L312-F314 HydrophobicContact CD1-CZ 4.46Å; L312-L347 HydrophobicContact CD2-CB 3.77Å; L312-L385 HydrophobicContact CD1-CD2 3.68Å; L312-L385 HydrophobicContact CD2-CD2 3.64Å; L312-L385 HydrophobicContact CG-CD2 4.27Å; L312-L416 HydrophobicContact CD2-CD2 4.49Å; L312-L420 HydrophobicContact CD1-CD2 4.07Å; L312-L420 HydrophobicContact CD2-CD2 3.69Å; L312-L420 HydrophobicContact CG-CD2 4.43Å; L312-L422 HydrophobicContact CD1-CD1 4.27Å; L312-L422 HydrophobicContact CD1-CD2 4.41Å
313F96.4Very high84.9Confident2 Ų232.6 Ų32.61%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-119.5124.7178.2-61-94.5000109.2F266 C268 I294 F298 K311 V346 L347 W348 S349F266-F313 HydrophobicContact CD1-CZ 4.36Å; F266-F313 AromaticContact CE1-CE1 3.94Å; F266-F313 HydrophobicContact CE1-CE1 3.94Å; F266-F313 AromaticContact CE1-CZ 3.97Å; F266-F313 HydrophobicContact CE1-CZ 3.97Å; C268-F313 HydrophobicContact CB-CD1 3.6Å; C268-F313 HydrophobicContact CB-CE1 3.86Å; C268-F313 HydrophobicContact CB-CG 4.48Å; C268-F313 CarbonylContact O-C 3.57Å; C268-F313 WeakPolarHBondContact O-CA 3.48Å; I294-F313 HydrophobicContact CG2-CD1 4.08Å; I294-F313 HydrophobicContact CG2-CE1 3.74Å; F298-F313 HydrophobicContact CB-CZ 4.44Å; F298-F313 HydrophobicContact CD2-CE1 4.17Å; F298-F313 AromaticContact CD2-CZ 3.95Å; F298-F313 HydrophobicContact CD2-CZ 3.95Å; F298-F313 HydrophobicContact CG-CZ 4.41Å; K311-F313 HydrophobicContact CB-CE2 4.01Å; F313-V346 HydrophobicContact CD2-CG1 4.11Å; F313-V346 HydrophobicContact CE2-CG1 4.18Å; F313-L347 PolarHBondContact N-O 3.21Å; F313-W348 HydrophobicContact CB-CD2 4.06Å; F313-W348 HydrophobicContact CB-CE3 3.35Å; F313-W348 HydrophobicContact CB-CZ3 3.67Å; F313-W348 HydrophobicContact CD1-CE3 4.1Å; F313-W348 AromaticContact CD1-CZ3 3.62Å; F313-W348 HydrophobicContact CD1-CZ3 3.62Å; F313-W348 AromaticContact CD2-CE3 3.76Å; F313-W348 HydrophobicContact CD2-CE3 3.76Å; F313-W348 HydrophobicContact CD2-CZ3 4.05Å; F313-W348 HydrophobicContact CE1-CZ3 4.26Å; F313-W348 AromaticContact CG-CE3 3.47Å; F313-W348 HydrophobicContact CG-CE3 3.47Å; F313-W348 VanDerWaalsContact CG-CE3 3.47Å; F313-W348 AromaticContact CG-CZ3 3.51Å; F313-W348 HydrophobicContact CG-CZ3 3.51Å; F313-S349 PolarHBondContact O-N 3.28Å
314F97.6Very high83.9Confident1 Ų141.4 Ų41.40%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-123112.2177.1-57.1-73.7000108.7F229 V267 C268 C269 I270 L312 L347 S349 L371 L385F229-F314 HydrophobicContact CE1-CE2 4.47Å; F229-F314 HydrophobicContact CZ-CD2 4.02Å; F229-F314 AromaticContact CZ-CE2 3.86Å; F229-F314 HydrophobicContact CZ-CE2 3.86Å; V267-F314 HydrophobicContact CG1-CD2 3.99Å; V267-F314 HydrophobicContact CG1-CE2 4.01Å; C268-F314 PolarHBondContact O-N 2.89Å; C269-F314 VanDerWaalsContact CA-O 3.23Å; C269-F314 WeakPolarHBondContact CA-O 3.3Å; I270-F314 PolarHBondContact N-O 3.03Å; L312-F314 HydrophobicContact CB-CE2 3.79Å; L312-F314 HydrophobicContact CB-CZ 4.09Å; L312-F314 HydrophobicContact CD1-CE2 4.46Å; L312-F314 HydrophobicContact CD1-CZ 4.46Å; F314-L347 HydrophobicContact CE1-CD2 3.83Å; F314-L347 HydrophobicContact CZ-CD2 4.21Å; F314-S349 CarbonylContact C-O 3.25Å; F314-S349 WeakPolarHBondContact CA-O 3.22Å; F314-L371 HydrophobicContact CB-CD2 3.88Å; F314-L371 HydrophobicContact CD1-CD1 4.03Å; F314-L371 HydrophobicContact CD1-CD2 3.7Å; F314-L371 HydrophobicContact CD2-CD2 4.48Å; F314-L371 HydrophobicContact CE1-CD1 4Å; F314-L371 HydrophobicContact CE1-CD2 4.41Å; F314-L371 HydrophobicContact CG-CD2 3.76Å; F314-L385 HydrophobicContact CZ-CD1 4.45Å
315I96.6Very high82.4Confident1 Ų146.3 Ų46.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-121.9125.1-170-56.3-179.7000109.5I270 I279 W348 S349 H350 C351I270-I315 HydrophobicContact CB-CG1 4.41Å; I270-I315 HydrophobicContact CB-CG2 4.49Å; I270-I315 CarbonylContact O-C 3.59Å; I270-I315 WeakPolarHBondContact O-CA 3.45Å; I279-I315 HydrophobicContact CD1-CD1 4.42Å; I279-I315 HydrophobicContact CD1-CG2 4.46Å; I315-W348 HydrophobicContact CD1-CD2 4.38Å; I315-W348 HydrophobicContact CD1-CH2 3.32Å; I315-W348 HydrophobicContact CD1-CZ2 3.04Å; I315-W348 HydrophobicContact CD1-CZ3 4.09Å; I315-W348 HydrophobicContact CG1-CZ2 4.41Å; I315-S349 PolarHBondContact N-O 2.94Å; I315-H350 HydrophobicContact CB-CB 4.45Å; I315-C351 PolarHBondContact O-N 3.45Å
316Q96.9Very high80.7Confident0 Ų052.1 Ų52.10%029%0.285CS..EExtended strand (participates in β ladder)trans-106.1117.8166.8173.360.660.600108.8I270 I271 S272 Y318 C351 S365 Y367 L368I270-Q316 PolarHBondContact O-N 3.19Å; I271-Q316 WeakPolarHBondContact CA-O 3.45Å; I271-Q316 HydrophobicContact CG2-CB 4.25Å; I271-Q316 HydrophobicContact CG2-CG 4.19Å; S272-Q316 PolarHBondContact N-O 2.86Å; Q316-Y318 HydrophobicContact CG-CD2 4.35Å; Q316-Y318 HydrophobicContact CG-CE2 3.62Å; Q316-C351 CarbonylContact C-O 3.46Å; Q316-C351 WeakPolarHBondContact CA-O 3.11Å; Q316-S365 PolarHBondContact OE1-OG 2.82Å; Q316-Y367 HydrophobicContact CB-CD1 4.24Å; Q316-L368 HydrophobicContact CB-CD1 3.99Å; Q316-L368 HydrophobicContact CB-CD2 4.19Å; Q316-L368 HydrophobicContact CB-CG 4.09Å; Q316-L368 HydrophobicContact CG-CD1 4.29Å
317S95.2Very high79.3Confident1 Ų161.8 Ų61.81%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-112.6135.6179.6-76.50000111.9S272 S274 H350 C351 W352 T353S272-S317 CarbonylContact O-C 3.58Å; S272-S317 VanDerWaalsContact O-CA 3.28Å; S272-S317 WeakPolarHBondContact O-CA 3.46Å; S274-S317 WeakPolarHBondContact OG-CB 3.43Å; S317-H350 WeakPolarHBondContact CB-NE2 3.09Å; S317-H350 PolarHBondContact OG-NE2 2.92Å; S317-C351 PolarHBondContact N-O 3.46Å; S317-W352 WeakPolarHBondContact O-CA 3.01Å; S317-T353 PolarHBondContact O-N 3.48Å
318Y93.6Very high77.3Confident0 Ų066.4 Ų66.40%035%0.346CS..EExtended strand (participates in β ladder)trans-108.9106171.2-67.4-82.4000108.3V218 I271 S272 R273 S274 Q316 V320 T353 Q357 L358 H363V218-Y318 HydrophobicContact CG2-CD2 4.03Å; V218-Y318 HydrophobicContact CG2-CE2 4.17Å; I271-Y318 HydrophobicContact CG2-CE2 4.1Å; S272-Y318 PolarHBondContact O-N 3.15Å; R273-Y318 CarbonylContact C-O 3.56Å; R273-Y318 VanDerWaalsContact CA-O 3.28Å; R273-Y318 WeakPolarHBondContact CA-O 3.46Å; S274-Y318 PolarHBondContact N-O 3.31Å; Q316-Y318 HydrophobicContact CG-CD2 4.35Å; Q316-Y318 HydrophobicContact CG-CE2 3.62Å; Y318-V320 PolarHBondContact O-N 3.33Å; Y318-T353 CarbonylContact C-O 3.59Å; Y318-T353 WeakPolarHBondContact CA-O 3.28Å; Y318-T353 HydrophobicContact CD1-CG2 3.55Å; Y318-T353 HydrophobicContact CE1-CG2 3.54Å; Y318-Q357 HydrophobicContact CD1-CB 4.48Å; Y318-Q357 HydrophobicContact CE1-CB 4.25Å; Y318-L358 HydrophobicContact CD1-CD1 4.1Å; Y318-L358 HydrophobicContact CD1-CD2 3.66Å; Y318-L358 HydrophobicContact CD1-CG 3.6Å; Y318-L358 HydrophobicContact CD2-CD1 3.99Å; Y318-L358 HydrophobicContact CD2-CD2 3.9Å; Y318-L358 HydrophobicContact CD2-CG 4.2Å; Y318-L358 HydrophobicContact CE1-CD2 3.43Å; Y318-L358 VanDerWaalsContact CE1-CD2 3.43Å; Y318-L358 HydrophobicContact CE1-CG 3.9Å; Y318-L358 HydrophobicContact CE2-CD2 3.69Å; Y318-L358 HydrophobicContact CE2-CG 4.46Å; Y318-L358 HydrophobicContact CG-CD1 3.7Å; Y318-L358 HydrophobicContact CG-CD2 3.88Å; Y318-L358 HydrophobicContact CG-CG 3.75Å; Y318-L358 VanDerWaalsContact CZ-CD2 3.44Å; Y318-H363 AromaticContact CE1-CD2 3.88Å; Y318-H363 AromaticContact CE1-NE2 3.37Å; Y318-H363 WeakPolarHBondContact CE1-NE2 3.41Å; Y318-H363 AromaticContact CZ-CD2 3.85Å; Y318-H363 AromaticContact CZ-NE2 3.53Å; Y318-H363 PolarHBondContact OH-CD2 3.25Å; Y318-H363 PolarHBondContact OH-NE2 3.23Å
319V92.3Very high75.1Confident34 Ų3472.5 Ų72.521%0.20637%0.37CS..EExtended strand (participates in β ladder)trans-76120.2-170.1-174.70000109.4S274 M336 W352 T353 E355S274-V319 WeakPolarHBondContact O-CA 3.37Å; V319-M336 HydrophobicContact CG1-CE 4.32Å; V319-M336 HydrophobicContact CG2-CE 4.13Å; V319-W352 HydrophobicContact CG2-CB 3.9Å; V319-W352 HydrophobicContact CG2-CG 4.25Å; V319-T353 PolarHBondContact N-O 3.49Å; V319-E355 WeakPolarHBondContact O-CB 3.35Å; V319-E355 PolarHBondContact O-N 3.08Å
320V88.4Confident72.9Confident34 Ų3474 Ų7421%0.20640%0.399CS..PPolyproline II helixtrans-80.8126.9173.6-173.80000108R273 S274 L280 Y318R273-V320 HydrophobicContact CB-CG2 4.16Å; S274-V320 PolarHBondContact O-N 3Å; L280-V320 HydrophobicContact CD1-CG2 4.13Å; Y318-V320 PolarHBondContact O-N 3.33Å
321P79.5Confident70.1Confident80 Ų8079.8 Ų79.852%0.51944%0.438SS..PPolyproline II helixtrans-62.3143.2175.2-17.929.2000111.5S323P321-S323 PolarHBondContact O-N 3.21Å
322E65.9Low67.3Low137 Ų13787.3 Ų87.364%0.6448%0.479SS*.PPolyproline II helixtrans-59122.2163.5-83.4-172.9152.800109F275 E324F275-E322 HydrophobicContact CE2-CB 4.34Å; F275-E322 HydrophobicContact CE2-CG 3.34Å; F275-E322 HydrophobicContact CZ-CG 3.49Å; F275-E322 VanDerWaalsContact CZ-CG 3.49Å; E322-E324 PolarHBondContact O-N 3.37Å
323S53.3Low64.6Low105 Ų10589.6 Ų89.673%0.73450%0.502SS*.PPolyproline II helixtrans-63.8125176.265.30000109.6P321 H325P321-S323 PolarHBondContact O-N 3.21Å; S323-H325 PolarHBondContact O-N 2.95Å
324E44.4Very low61.8Low184 Ų18496 Ų9686%0.8654%0.535SS*.SBendtrans-38.990.2179.3-64.3180168.300114.3E322E322-E324 PolarHBondContact O-N 3.37Å
325H39.8Very low59.2Low173 Ų17399.3 Ų99.380%0.80156%0.564SS**  trans-141.495151-76.379000107.7S323S323-H325 PolarHBondContact O-N 2.95Å
326L39.9Very low56.9Low167 Ų167101 Ų10187%0.87457%0.572SS**  trans120.599.2162.4-62.1169.4000112.9Q328L326-Q328 PolarHBondContact O-N 3.48Å
327E47.3Very low54.7Low203 Ų203111.9 Ų111.995%0.94961%0.613SS**  trans-53.6115.7153.4-65.4-170.715800108.9
328Q40.3Very low52.7Low182 Ų182113 Ų11385%0.8562%0.618SS**  trans-146.2107.2156.5-162.2163.4-10.100110.2L326L326-Q328 PolarHBondContact O-N 3.48Å
329D37.9Very low50.9Low161 Ų161119.3 Ų119.386%0.86165%0.652SS**  trans22.2131.2159.1-141.1-4.4000120C331D329-C331 PolarHBondContact O-N 2.91Å
330G43.7Very low49Very low77 Ų77121.6 Ų121.679%0.79467%0.667SS**  trans-44.5116-169.400000115.5
331C34.3Very low47.6Very low123 Ų123120.4 Ų120.483%0.83166%0.66SS**  trans-111.2112.3159.8-123.50000109.2D329 G333D329-C331 PolarHBondContact O-N 2.91Å; C331-G333 PolarHBondContact O-N 3.36Å
332D34.3Very low46.9Very low169 Ų169122.8 Ų122.890%0.90467%0.673SS**  trans-48.4125.5171.3-148.6-1.4000110.6
333G38.3Very low47.4Very low47 Ų47117.8 Ų117.849%0.48565%0.65SS.*  trans35.496.9168.300000118.1C331 A335C331-G333 PolarHBondContact O-N 3.36Å; G333-A335 PolarHBondContact O-N 3.41Å
334L38.5Very low48.7Very low136 Ų136115.1 Ų115.171%0.71263%0.634SS**  trans-58.785.7159.2-65.9170.7000109.4M336L334-M336 PolarHBondContact O-N 3.41Å
335A42.1Very low50.9Low72 Ų72106.5 Ų106.560%0.59559%0.594SS**  trans-67.6114.4159.300000105.9G333 R337G333-A335 PolarHBondContact O-N 3.41Å; A335-R337 VanDerWaalsContact O-CG 3.31Å; A335-R337 WeakPolarHBondContact O-CG 3.31Å; A335-R337 PolarHBondContact O-N 3.02Å
336M49.2Very low53.4Low37 Ų3798.5 Ų98.518%0.18256%0.557CS.*  trans-45.6112.6171-73-38.1-166.100109.1D277 V319 L334 E338 W352D277-M336 WeakPolarHBondContact OD1-CA 3.27Å; D277-M336 WeakPolarHBondContact OD1-CB 3.25Å; D277-M336 WeakPolarHBondContact OD1-CG 3.49Å; V319-M336 HydrophobicContact CG1-CE 4.32Å; V319-M336 HydrophobicContact CG2-CE 4.13Å; L334-M336 PolarHBondContact O-N 3.41Å; M336-E338 PolarHBondContact O-N 3.21Å; M336-W352 HydrophobicContact CB-CH2 4.3Å; M336-W352 HydrophobicContact CB-CZ2 4.28Å; M336-W352 HydrophobicContact CG-CD2 4.3Å; M336-W352 HydrophobicContact CG-CH2 4.49Å; M336-W352 HydrophobicContact CG-CZ2 4.12Å
337R51.2Low56Low227 Ų22790.5 Ų90.586%0.85752%0.516SS*.  trans-89.348.8-165.5-74.2-171.2177.8169.90.9110.7D277 A335 N339D277-R337 PolarHBondContact OD2-N 3.35Å; A335-R337 VanDerWaalsContact O-CG 3.31Å; A335-R337 WeakPolarHBondContact O-CG 3.31Å; A335-R337 PolarHBondContact O-N 3.02Å; R337-N339 PolarHBondContact O-N 3.18Å
338E53.3Low58.2Low26 Ų2681 Ų8112%0.12147%0.471CS..PPolyproline II helixtrans-74.9123.2173.5-77.2-160.4-158.200111A291 R295 M336 H350 K413A291-E338 WeakPolarHBondContact CB-OE1 3.03Å; A291-E338 VanDerWaalsContact CB-OE2 3.24Å; A291-E338 WeakPolarHBondContact CB-OE2 3.22Å; R295-E338 IonicContact CZ-OE2 2.9Å; R295-E338 IonicContact NH1-OE2 2.8Å; R295-E338 PolarHBondContact NH1-OE2 2.98Å; R295-E338 IonicContact NH2-OE2 3.59Å; M336-E338 PolarHBondContact O-N 3.21Å; E338-H350 IonicContact OE1-ND1 3.25Å; E338-K413 PolarHBondContact O-NZ 2.92Å
339N55.2Low60.8Low132 Ų13272.3 Ų72.371%0.70643%0.43SS*.PPolyproline II helixtrans-56.8140168.2-70.8-34.5000109.7R337R337-N339 PolarHBondContact O-N 3.18Å
340P52.7Low63.5Low81 Ų8165.3 Ų65.353%0.52639%0.392SS..PPolyproline II helixtrans-56.6148.6176.824.2-32.8000111.3T342 K413P340-T342 PolarHBondContact O-N 3.38Å; P340-T342 VanDerWaalsContact O-N 3.1Å; P340-K413 HydrophobicContact CB-CD 4.19Å
341P58.7Low66Low9 Ų961.6 Ų61.66%0.05835%0.354CS..PPolyproline II helixtrans-57.7120.7173.123.3-28.6000107.9E343 V346 K413 T415P341-E343 VanDerWaalsContact CA-OE2 3.29Å; P341-E343 WeakPolarHBondContact CA-OE2 3.31Å; P341-E343 VanDerWaalsContact CB-OE2 3.29Å; P341-E343 WeakPolarHBondContact CB-OE2 3.49Å; P341-V346 HydrophobicContact CB-CB 4.22Å; P341-V346 HydrophobicContact CB-CG1 3.99Å; P341-V346 HydrophobicContact CG-CG1 4.39Å; P341-K413 HydrophobicContact CG-CB 4.1Å; P341-T415 HydrophobicContact CG-CG2 4.36Å; P341-T415 WeakPolarHBondContact O-CG2 3.4Å
342T65.6Low68.8Low130 Ų13057.3 Ų57.380%0.79832%0.321SS*.  trans-83.1-5.9176.443.50000111.3P340P340-T342 PolarHBondContact O-N 3.38Å; P340-T342 VanDerWaalsContact O-N 3.1Å
343E74.4Confident71.7Confident33 Ų3349.5 Ų49.515%0.15428%0.279CS..SBendtrans-105.6137.2-161-39103.814900109.7L299 P341 V346 T415L299-E343 HydrophobicContact CD2-CB 3.68Å; L299-E343 HydrophobicContact CD2-CG 3.28Å; P341-E343 VanDerWaalsContact CA-OE2 3.29Å; P341-E343 WeakPolarHBondContact CA-OE2 3.31Å; P341-E343 VanDerWaalsContact CB-OE2 3.29Å; P341-E343 WeakPolarHBondContact CB-OE2 3.49Å; E343-V346 HydrophobicContact CB-CG2 4.34Å; E343-V346 WeakPolarHBondContact O-CG2 3.5Å; E343-T415 VanDerWaalsContact O-CB 3.28Å; E343-T415 WeakPolarHBondContact O-CB 3.45Å; E343-T415 PolarHBondContact O-OG1 3.02Å
344A81.5Confident74.3Confident48 Ų4850.4 Ų50.440%0.39727%0.273SS..THydrogen-bonded Turntrans-67.7146.8-17000000113.9K311K311-A344 VanDerWaalsContact CE-O 3.29Å; K311-A344 WeakPolarHBondContact CE-O 3.28Å; K311-A344 PolarHBondContact NZ-O 2.77Å; K311-A344 VanDerWaalsContact NZ-O 3.13Å
345D90.5Very high76.8Confident3 Ų346.4 Ų46.42%0.01625%0.251CS..THydrogen-bonded Turntrans63.435176.4-40.1-64.9000114.3Y202 G308 K309 P310 K311 T415 R417Y202-D345 HydrophobicContact CE1-CB 4.36Å; Y202-D345 WeakPolarHBondContact OH-CB 3.39Å; Y202-D345 PolarHBondContact OH-OD1 3.27Å; G308-D345 WeakPolarHBondContact CA-OD2 3.3Å; G308-D345 PolarHBondContact N-OD2 3.32Å; K309-D345 WeakPolarHBondContact O-CB 3.03Å; P310-D345 CarbonylContact C-O 3.56Å; P310-D345 WeakPolarHBondContact CA-O 3.43Å; K311-D345 PolarHBondContact N-O 3.08Å; D345-T415 PolarHBondContact N-O 3.26Å; D345-T415 VanDerWaalsContact N-O 3.09Å; D345-T415 PolarHBondContact N-OG1 2.99Å; D345-R417 VanDerWaalsContact CG-NH2 3.27Å; D345-R417 IonicContact OD1-CZ 3.98Å; D345-R417 IonicContact OD1-NE 3.1Å; D345-R417 PolarHBondContact OD1-NE 3.37Å; D345-R417 IonicContact OD1-NH2 3.36Å; D345-R417 PolarHBondContact OD1-NH2 3.15Å; D345-R417 VanDerWaalsContact OD1-NH2 3.1Å; D345-R417 IonicContact OD2-CZ 3.25Å; D345-R417 IonicContact OD2-NE 2.68Å; D345-R417 IonicContact OD2-NH2 3.54Å; D345-R417 PolarHBondContact OD2-NH2 2.97Å
346V92.1Very high79.1Confident5 Ų545.5 Ų45.53%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-105.8141.7176177.50000109.9K311 F313 P341 E343 H414 T415K311-V346 HydrophobicContact CB-CG2 4.28Å; K311-V346 HydrophobicContact CD-CG2 4.41Å; K311-V346 CarbonylContact O-C 3.47Å; K311-V346 WeakPolarHBondContact O-CA 3.28Å; F313-V346 HydrophobicContact CD2-CG1 4.11Å; F313-V346 HydrophobicContact CE2-CG1 4.18Å; P341-V346 HydrophobicContact CB-CB 4.22Å; P341-V346 HydrophobicContact CB-CG1 3.99Å; P341-V346 HydrophobicContact CG-CG1 4.39Å; E343-V346 HydrophobicContact CB-CG2 4.34Å; E343-V346 WeakPolarHBondContact O-CG2 3.5Å; V346-H414 CarbonylContact O-C 3.45Å; V346-H414 WeakPolarHBondContact O-CA 3.47Å; V346-H414 WeakPolarHBondContact O-CB 3.5Å; V346-T415 PolarHBondContact N-OG1 3.42Å; V346-T415 PolarHBondContact O-N 3.23Å; V346-T415 PolarHBondContact O-OG1 2.97Å
347L94.6Very high81.1Confident0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-124.8127.8161179.3142.8000108.5K311 L312 F313 F314 L385 L386 Q389 H414 L416K311-L347 PolarHBondContact O-N 3.14Å; L312-L347 HydrophobicContact CD2-CB 3.77Å; F313-L347 PolarHBondContact N-O 3.21Å; F314-L347 HydrophobicContact CE1-CD2 3.83Å; F314-L347 HydrophobicContact CZ-CD2 4.21Å; L347-L385 HydrophobicContact CD1-CD2 3.93Å; L347-L385 HydrophobicContact CD1-CG 4.22Å; L347-L385 HydrophobicContact CD2-CD2 4.47Å; L347-L386 HydrophobicContact CD1-CD2 3.73Å; L347-Q389 HydrophobicContact CD1-CG 4.34Å; L347-H414 HydrophobicContact CB-CB 4.19Å; L347-H414 HydrophobicContact CD1-CB 4.37Å; L347-H414 HydrophobicContact CG-CB 4.31Å; L347-L416 HydrophobicContact CB-CD1 4.09Å; L347-L416 HydrophobicContact CB-CG 4.25Å; L347-L416 HydrophobicContact CD1-CD1 3.87Å
348W93.6Very high82.9Confident3 Ų335.5 Ų35.51%0.01120%0.204CC..EExtended strand (participates in β ladder)trans-120.7106.4179.3-169.9-89.8000108.6A291 I294 R295 F313 I315 H350 V412 K413A291-W348 HydrophobicContact CB-CH2 3.62Å; A291-W348 HydrophobicContact CB-CZ2 3.26Å; I294-W348 HydrophobicContact CG2-CH2 4.47Å; I294-W348 HydrophobicContact CG2-CZ3 4.48Å; R295-W348 HydrophobicContact CG-CE3 3.68Å; R295-W348 HydrophobicContact CG-CH2 4.06Å; R295-W348 HydrophobicContact CG-CZ3 3.3Å; F313-W348 HydrophobicContact CB-CD2 4.06Å; F313-W348 HydrophobicContact CB-CE3 3.35Å; F313-W348 HydrophobicContact CB-CZ3 3.67Å; F313-W348 HydrophobicContact CD1-CE3 4.1Å; F313-W348 AromaticContact CD1-CZ3 3.62Å; F313-W348 HydrophobicContact CD1-CZ3 3.62Å; F313-W348 AromaticContact CD2-CE3 3.76Å; F313-W348 HydrophobicContact CD2-CE3 3.76Å; F313-W348 HydrophobicContact CD2-CZ3 4.05Å; F313-W348 HydrophobicContact CE1-CZ3 4.26Å; F313-W348 AromaticContact CG-CE3 3.47Å; F313-W348 HydrophobicContact CG-CE3 3.47Å; F313-W348 VanDerWaalsContact CG-CE3 3.47Å; F313-W348 AromaticContact CG-CZ3 3.51Å; F313-W348 HydrophobicContact CG-CZ3 3.51Å; I315-W348 HydrophobicContact CD1-CD2 4.38Å; I315-W348 HydrophobicContact CD1-CH2 3.32Å; I315-W348 HydrophobicContact CD1-CZ2 3.04Å; I315-W348 HydrophobicContact CD1-CZ3 4.09Å; I315-W348 HydrophobicContact CG1-CZ2 4.41Å; W348-H350 AromaticContact NE1-ND1 3.96Å; W348-V412 CarbonylContact O-C 3.57Å; W348-V412 WeakPolarHBondContact O-CA 3.45Å; W348-K413 PolarHBondContact N-O 2.8Å; W348-K413 PolarHBondContact O-N 3.05Å
349S95.9Very high84.5Confident0 Ų041.4 Ų41.40%024%0.235CC..EExtended strand (participates in β ladder)trans-110.4108.5176.4176.30000107.5F313 F314 I315 Y367 Q389F313-S349 PolarHBondContact O-N 3.28Å; F314-S349 CarbonylContact C-O 3.25Å; F314-S349 WeakPolarHBondContact CA-O 3.22Å; I315-S349 PolarHBondContact N-O 2.94Å; S349-Y367 WeakPolarHBondContact CB-OH 3.43Å; S349-Y367 PolarHBondContact O-OH 2.82Å; S349-Y367 VanDerWaalsContact O-OH 3.13Å; S349-Y367 WeakPolarHBondContact OG-CE2 3.47Å; S349-Y367 PolarHBondContact OG-OH 3.1Å; S349-Q389 VanDerWaalsContact CB-OE1 3.31Å; S349-Q389 PolarHBondContact OG-OE1 3.22Å
350H94.6Very high86Confident13 Ų1340 Ų406%0.0622%0.224CC..EExtended strand (participates in β ladder)trans-121.7118.7-175.3-173.4-174.4000109.3I315 S317 E338 W348 W352 C410 D411I315-H350 HydrophobicContact CB-CB 4.45Å; S317-H350 WeakPolarHBondContact CB-NE2 3.09Å; S317-H350 PolarHBondContact OG-NE2 2.92Å; E338-H350 IonicContact OE1-ND1 3.25Å; W348-H350 AromaticContact NE1-ND1 3.96Å; H350-W352 WeakPolarHBondContact O-CZ3 3.33Å; H350-C410 WeakPolarHBondContact O-CA 3.19Å; H350-D411 PolarHBondContact N-O 3.03Å; H350-D411 PolarHBondContact O-N 3.23Å
351C95.1Very high87Confident0 Ų045.7 Ų45.70%024%0.244CC..EExtended strand (participates in β ladder)trans-114.8139.1175.7-169.10000110.6I315 Q316 S317 Y367 R409 C410I315-C351 PolarHBondContact O-N 3.45Å; Q316-C351 CarbonylContact C-O 3.46Å; Q316-C351 WeakPolarHBondContact CA-O 3.11Å; S317-C351 PolarHBondContact N-O 3.46Å; C351-Y367 HydrophobicContact CB-CD1 3.54Å; C351-Y367 HydrophobicContact CB-CD2 3.54Å; C351-Y367 HydrophobicContact CB-CE1 3.97Å; C351-Y367 HydrophobicContact CB-CE2 3.94Å; C351-Y367 HydrophobicContact CB-CG 3.31Å; C351-Y367 VanDerWaalsContact SG-CB 3.51Å; C351-R409 CarbonylContact C-O 3.57Å; C351-R409 WeakPolarHBondContact CA-O 3.37Å; C351-R409 PolarHBondContact SG-O 3.5Å; C351-C410 HydrophobicContact CB-CB 4.18Å
352W94.1Very high88Confident33 Ų3353.3 Ų53.313%0.12528%0.279CS..EExtended strand (participates in β ladder)trans-136.3148.8176.86397.6000112.6S317 V319 M336 H350 R409 D411S317-W352 WeakPolarHBondContact O-CA 3.01Å; V319-W352 HydrophobicContact CG2-CB 3.9Å; V319-W352 HydrophobicContact CG2-CG 4.25Å; M336-W352 HydrophobicContact CB-CH2 4.3Å; M336-W352 HydrophobicContact CB-CZ2 4.28Å; M336-W352 HydrophobicContact CG-CD2 4.3Å; M336-W352 HydrophobicContact CG-CH2 4.49Å; M336-W352 HydrophobicContact CG-CZ2 4.12Å; H350-W352 WeakPolarHBondContact O-CZ3 3.33Å; W352-R409 HydrophobicContact CD2-CB 4Å; W352-R409 VanDerWaalsContact CE2-CB 3.48Å; W352-R409 HydrophobicContact CG-CB 4.4Å; W352-R409 HydrophobicContact CH2-CB 4.36Å; W352-R409 HydrophobicContact CZ2-CB 3.69Å; W352-R409 PolarHBondContact N-O 3.39Å; W352-R409 PolarHBondContact O-N 3.36Å; W352-D411 HydrophobicContact CH2-CB 3.91Å; W352-D411 HydrophobicContact CZ3-CB 3.84Å
353T94Very high89Confident4 Ų447.4 Ų47.43%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-144.7172.1174.8-168.70000109.1S317 Y318 V319 Q357 N407 Y408S317-T353 PolarHBondContact O-N 3.48Å; Y318-T353 CarbonylContact C-O 3.59Å; Y318-T353 WeakPolarHBondContact CA-O 3.28Å; Y318-T353 HydrophobicContact CD1-CG2 3.55Å; Y318-T353 HydrophobicContact CE1-CG2 3.54Å; V319-T353 PolarHBondContact N-O 3.49Å; T353-Q357 HydrophobicContact CG2-CB 4.24Å; T353-Q357 HydrophobicContact CG2-CG 3.92Å; T353-Q357 WeakPolarHBondContact OG1-CG 3.35Å; T353-N407 WeakPolarHBondContact CB-O 3.12Å; T353-N407 PolarHBondContact OG1-O 2.78Å; T353-Y408 HydrophobicContact CG2-CD1 4.18Å; T353-Y408 HydrophobicContact CG2-CE1 3.71Å; T353-Y408 HydrophobicContact CG2-CE2 4.37Å
354D92.6Very high89.8Confident67 Ų6750.4 Ų50.436%0.35826%0.256SS..EExtended strand (participates in β ladder)trans-68.5142.5179.7-169.6-87.6000111.9S356 Q357D354-S356 PolarHBondContact O-N 3.47Å; D354-S356 WeakPolarHBondContact OD1-CA 3.36Å; D354-S356 WeakPolarHBondContact OD1-CB 3.3Å; D354-S356 PolarHBondContact OD1-N 3.44Å; D354-S356 PolarHBondContact OD1-OG 2.94Å; D354-Q357 WeakPolarHBondContact O-CB 3.3Å; D354-Q357 VanDerWaalsContact O-CG 3.28Å; D354-Q357 WeakPolarHBondContact O-CG 3.25Å; D354-Q357 PolarHBondContact O-N 3.22Å; D354-Q357 VanDerWaalsContact O-N 3.16Å
355E91.1Very high90.5Very high52 Ų5248.1 Ų48.124%0.24324%0.237CC..G310 helixtrans-59.1-28.2178-173.6-174.1-14200113R273 V319 Q357 L358R273-E355 WeakPolarHBondContact CD-OE1 3.38Å; R273-E355 IonicContact NE-OE1 2.87Å; R273-E355 IonicContact NH1-OE1 3.2Å; V319-E355 WeakPolarHBondContact O-CB 3.35Å; V319-E355 PolarHBondContact O-N 3.08Å; E355-Q357 PolarHBondContact O-N 3.31Å; E355-L358 HydrophobicContact CG-CD1 4.25Å; E355-L358 VanDerWaalsContact O-CB 3.3Å; E355-L358 WeakPolarHBondContact O-CB 2.8Å; E355-L358 PolarHBondContact O-N 2.95Å
356S90.7Very high90.7Very high53 Ų5349.4 Ų49.437%0.37125%0.245SC..G310 helixtrans-56.3-22.517763.60000113.6D354 L358 L359D354-S356 PolarHBondContact O-N 3.47Å; D354-S356 WeakPolarHBondContact OD1-CA 3.36Å; D354-S356 WeakPolarHBondContact OD1-CB 3.3Å; D354-S356 PolarHBondContact OD1-N 3.44Å; D354-S356 PolarHBondContact OD1-OG 2.94Å; S356-L358 PolarHBondContact O-N 2.9Å; S356-L359 VanDerWaalsContact O-CB 3.29Å; S356-L359 WeakPolarHBondContact O-CB 3.32Å; S356-L359 WeakPolarHBondContact O-CG 3.2Å; S356-L359 PolarHBondContact O-N 3.17Å
357Q90.7Very high91Very high13 Ų1349.2 Ų49.26%0.06124%0.244CC..G310 helixtrans-59.8-31.7174-62.6-55.3-58.800112.3Y318 T353 D354 E355 L359 Q360 H363 A406Y318-Q357 HydrophobicContact CD1-CB 4.48Å; Y318-Q357 HydrophobicContact CE1-CB 4.25Å; T353-Q357 HydrophobicContact CG2-CB 4.24Å; T353-Q357 HydrophobicContact CG2-CG 3.92Å; T353-Q357 WeakPolarHBondContact OG1-CG 3.35Å; D354-Q357 WeakPolarHBondContact O-CB 3.3Å; D354-Q357 VanDerWaalsContact O-CG 3.28Å; D354-Q357 WeakPolarHBondContact O-CG 3.25Å; D354-Q357 PolarHBondContact O-N 3.22Å; D354-Q357 VanDerWaalsContact O-N 3.16Å; E355-Q357 PolarHBondContact O-N 3.31Å; Q357-L359 PolarHBondContact O-N 3.28Å; Q357-Q360 PolarHBondContact O-N 2.88Å; Q357-H363 WeakPolarHBondContact O-CB 3.2Å; Q357-H363 PolarHBondContact O-ND1 3.42Å; Q357-H363 VanDerWaalsContact O-ND1 3.13Å; Q357-A406 VanDerWaalsContact OE1-CB 3.23Å
358L89.8Confident91.1Very high41 Ų4149.3 Ų49.322%0.21524%0.244CC..G310 helixtrans-70.1-15.2177.2-61.7-176.8000113.6V218 R273 Y318 E355 S356 Q360V218-L358 HydrophobicContact CG1-CD1 4.06Å; V218-L358 HydrophobicContact CG1-CD2 3.5Å; V218-L358 VanDerWaalsContact CG1-CD2 3.5Å; V218-L358 HydrophobicContact CG1-CG 4.4Å; V218-L358 HydrophobicContact CG2-CD1 4.26Å; R273-L358 HydrophobicContact CG-CD1 4.28Å; Y318-L358 HydrophobicContact CD1-CD1 4.1Å; Y318-L358 HydrophobicContact CD1-CD2 3.66Å; Y318-L358 HydrophobicContact CD1-CG 3.6Å; Y318-L358 HydrophobicContact CD2-CD1 3.99Å; Y318-L358 HydrophobicContact CD2-CD2 3.9Å; Y318-L358 HydrophobicContact CD2-CG 4.2Å; Y318-L358 HydrophobicContact CE1-CD2 3.43Å; Y318-L358 VanDerWaalsContact CE1-CD2 3.43Å; Y318-L358 HydrophobicContact CE1-CG 3.9Å; Y318-L358 HydrophobicContact CE2-CD2 3.69Å; Y318-L358 HydrophobicContact CE2-CG 4.46Å; Y318-L358 HydrophobicContact CG-CD1 3.7Å; Y318-L358 HydrophobicContact CG-CD2 3.88Å; Y318-L358 HydrophobicContact CG-CG 3.75Å; Y318-L358 VanDerWaalsContact CZ-CD2 3.44Å; E355-L358 HydrophobicContact CG-CD1 4.25Å; E355-L358 VanDerWaalsContact O-CB 3.3Å; E355-L358 WeakPolarHBondContact O-CB 2.8Å; E355-L358 PolarHBondContact O-N 2.95Å; S356-L358 PolarHBondContact O-N 2.9Å; L358-Q360 PolarHBondContact O-N 2.89Å
359L87.4Confident91.3Very high149 Ų14954.7 Ų54.778%0.7827%0.268SS*.G310 helixtrans-73.8-11.7177.6-58.2175000112.6S356 Q357S356-L359 VanDerWaalsContact O-CB 3.29Å; S356-L359 WeakPolarHBondContact O-CB 3.32Å; S356-L359 WeakPolarHBondContact O-CG 3.2Å; S356-L359 PolarHBondContact O-N 3.17Å; Q357-L359 PolarHBondContact O-N 3.28Å
360Q85.7Confident91.3Very high103 Ų10355.3 Ų55.348%0.48127%0.272SS..SBendtrans-77.2126.8175.5-57.2173.813.200109.7Q357 L358 Q362 H363Q357-Q360 PolarHBondContact O-N 2.88Å; L358-Q360 PolarHBondContact O-N 2.89Å; Q360-Q362 PolarHBondContact O-N 3.27Å; Q360-H363 HydrophobicContact CB-CB 4.16Å; Q360-H363 PolarHBondContact O-N 3.47Å; Q360-H363 VanDerWaalsContact O-N 3.07Å
361E73.9Confident91.5Very high201 Ų20154.7 Ų54.794%0.93927%0.27SS*.THydrogen-bonded Turntrans-55.3-24.6-174.2-68-174.4165.400115
362Q80.5Confident91.5Very high168 Ų16854.9 Ų54.979%0.78527%0.271SS*.THydrogen-bonded Turntrans-129.240.3178.7-62-167.1-0.700111.9Q360 H364Q360-Q362 PolarHBondContact O-N 3.27Å; Q362-H364 PolarHBondContact O-CD2 3.5Å; Q362-H364 PolarHBondContact O-N 3.3Å
363H86.3Confident91.5Very high7 Ų757 Ų573%0.03228%0.284CS..  trans-61.1127.7178.1-174.567.7000111.8N220 Y318 Q357 Q360 Y408N220-H363 WeakPolarHBondContact CB-O 3.31Å; N220-H363 PolarHBondContact ND2-O 2.85Å; Y318-H363 AromaticContact CE1-CD2 3.88Å; Y318-H363 AromaticContact CE1-NE2 3.37Å; Y318-H363 WeakPolarHBondContact CE1-NE2 3.41Å; Y318-H363 AromaticContact CZ-CD2 3.85Å; Y318-H363 AromaticContact CZ-NE2 3.53Å; Y318-H363 PolarHBondContact OH-CD2 3.25Å; Y318-H363 PolarHBondContact OH-NE2 3.23Å; Q357-H363 WeakPolarHBondContact O-CB 3.2Å; Q357-H363 PolarHBondContact O-ND1 3.42Å; Q357-H363 VanDerWaalsContact O-ND1 3.13Å; Q360-H363 HydrophobicContact CB-CB 4.16Å; Q360-H363 PolarHBondContact O-N 3.47Å; Q360-H363 VanDerWaalsContact O-N 3.07Å; H363-Y408 PolarHBondContact CE1-OH 3.16Å; H363-Y408 PolarHBondContact NE2-OH 3.07Å
364H91.4Very high91.6Very high95 Ų9557.1 Ų57.144%0.4429%0.286SS..  trans-127133.2167.9-72.6-67.3000109.2D221 Q362 V366D221-H364 IonicContact OD1-CE1 3.98Å; D221-H364 IonicContact OD1-CG 2.65Å; D221-H364 IonicContact OD1-ND1 3.97Å; D221-H364 PolarHBondContact OD1-ND1 2.81Å; Q362-H364 PolarHBondContact O-CD2 3.5Å; Q362-H364 PolarHBondContact O-N 3.3Å; H364-V366 PolarHBondContact O-N 3.37Å
365S95.4Very high91.6Very high0 Ų054 Ų540%027%0.27CS..  trans-60.9124177.7165.80000111D221 Q316 Y367 L368 K369D221-S365 WeakPolarHBondContact OD2-CB 3.5Å; D221-S365 PolarHBondContact OD2-N 2.86Å; Q316-S365 PolarHBondContact OE1-OG 2.82Å; S365-Y367 PolarHBondContact O-N 3.48Å; S365-Y367 PolarHBondContact OG-N 3.38Å; S365-L368 PolarHBondContact O-N 2.85Å; S365-L368 PolarHBondContact OG-N 3.4Å; S365-K369 WeakPolarHBondContact O-CB 3.42Å; S365-K369 PolarHBondContact O-N 2.76Å
366V96.3Very high91.7Very high31 Ų3154.2 Ų54.219%0.18828%0.277CS..Hα-helixtrans-60.9-39.8173.6177.90000110.4H364 A370 H399 Y408H364-V366 PolarHBondContact O-N 3.37Å; V366-A370 VanDerWaalsContact O-CB 3.22Å; V366-A370 WeakPolarHBondContact O-CB 3.36Å; V366-A370 PolarHBondContact O-N 3.1Å; V366-H399 HydrophobicContact CG1-CB 3.82Å; V366-Y408 HydrophobicContact CB-CD2 4.1Å; V366-Y408 HydrophobicContact CB-CE1 4.34Å; V366-Y408 HydrophobicContact CB-CE2 3.89Å; V366-Y408 HydrophobicContact CB-CG 4.43Å; V366-Y408 HydrophobicContact CG2-CD2 4.14Å; V366-Y408 HydrophobicContact CG2-CE2 3.6Å; V366-Y408 PolarHBondContact N-OH 3.08Å
367Y97.5Very high91.6Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-63-50.1177162.9-108.4000112.1Q316 S349 C351 S365 K369 A370 L371 V392 I396Q316-Y367 HydrophobicContact CB-CD1 4.24Å; S349-Y367 WeakPolarHBondContact CB-OH 3.43Å; S349-Y367 PolarHBondContact O-OH 2.82Å; S349-Y367 VanDerWaalsContact O-OH 3.13Å; S349-Y367 WeakPolarHBondContact OG-CE2 3.47Å; S349-Y367 PolarHBondContact OG-OH 3.1Å; C351-Y367 HydrophobicContact CB-CD1 3.54Å; C351-Y367 HydrophobicContact CB-CD2 3.54Å; C351-Y367 HydrophobicContact CB-CE1 3.97Å; C351-Y367 HydrophobicContact CB-CE2 3.94Å; C351-Y367 HydrophobicContact CB-CG 3.31Å; C351-Y367 VanDerWaalsContact SG-CB 3.51Å; S365-Y367 PolarHBondContact O-N 3.48Å; S365-Y367 PolarHBondContact OG-N 3.38Å; Y367-K369 VanDerWaalsContact C-N 3.34Å; Y367-K369 PolarHBondContact O-N 3.36Å; Y367-A370 PolarHBondContact O-N 3.19Å; Y367-L371 HydrophobicContact CE1-CD2 4.49Å; Y367-L371 VanDerWaalsContact O-CB 3.24Å; Y367-L371 WeakPolarHBondContact O-CB 3.34Å; Y367-L371 PolarHBondContact O-N 3.34Å; Y367-V392 HydrophobicContact CD2-CG1 3.67Å; Y367-V392 HydrophobicContact CE2-CG1 3.98Å; Y367-I396 HydrophobicContact CD2-CD1 3.91Å; Y367-I396 HydrophobicContact CG-CD1 4.44Å
368L97.5Very high91.3Very high2 Ų256.7 Ų56.71%0.0128%0.282CS..Hα-helixtrans-67.4-37.2-178.1-62.2178.7000111.6D221 L225 I271 Q316 S365 L371 T372D221-L368 HydrophobicContact CB-CD1 3.54Å; L225-L368 HydrophobicContact CD1-CD1 4.32Å; L225-L368 HydrophobicContact CD1-CD2 4.06Å; L225-L368 HydrophobicContact CD2-CD2 4.21Å; I271-L368 HydrophobicContact CD1-CD1 3.49Å; I271-L368 VanDerWaalsContact CD1-CD1 3.49Å; I271-L368 HydrophobicContact CG1-CD1 3.76Å; I271-L368 HydrophobicContact CG2-CD1 4.43Å; Q316-L368 HydrophobicContact CB-CD1 3.99Å; Q316-L368 HydrophobicContact CB-CD2 4.19Å; Q316-L368 HydrophobicContact CB-CG 4.09Å; Q316-L368 HydrophobicContact CG-CD1 4.29Å; S365-L368 PolarHBondContact O-N 2.85Å; S365-L368 PolarHBondContact OG-N 3.4Å; L368-L371 PolarHBondContact O-N 2.81Å; L368-T372 WeakPolarHBondContact O-CB 3.32Å; L368-T372 VanDerWaalsContact O-CG2 3.24Å; L368-T372 WeakPolarHBondContact O-CG2 3.27Å; L368-T372 PolarHBondContact O-N 3.42Å; L368-T372 PolarHBondContact O-OG1 2.92Å
369K96.1Very high90.9Very high117 Ų11758 Ų5851%0.50929%0.286SS..Hα-helixtrans-63.6-47172.8-172.1172.2-175.8172.70112M224 S365 Y367 L371 T372 D373M224-K369 HydrophobicContact SD-CB 4.42Å; S365-K369 WeakPolarHBondContact O-CB 3.42Å; S365-K369 PolarHBondContact O-N 2.76Å; Y367-K369 VanDerWaalsContact C-N 3.34Å; Y367-K369 PolarHBondContact O-N 3.36Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 3.06Å; K369-T372 PolarHBondContact O-N 3.02Å; K369-T372 PolarHBondContact O-OG1 2.82Å; K369-D373 WeakPolarHBondContact O-CB 2.86Å; K369-D373 PolarHBondContact O-N 2.74Å
370A97.2Very high90.6Very high12 Ų1261.9 Ų61.910%0.09929%0.29CS..Hα-helixtrans-62.3-41.1176.700000111.8V366 Y367 A374 V392 A395V366-A370 VanDerWaalsContact O-CB 3.22Å; V366-A370 WeakPolarHBondContact O-CB 3.36Å; V366-A370 PolarHBondContact O-N 3.1Å; Y367-A370 PolarHBondContact O-N 3.19Å; A370-A374 WeakPolarHBondContact O-CB 3.28Å; A370-A374 PolarHBondContact O-N 3.36Å; A370-V392 HydrophobicContact CB-CG1 4.18Å; A370-A395 HydrophobicContact CB-CB 3.78Å
371L97.4Very high90.5Very high0 Ų065.6 Ų65.60%030%0.299CS..Hα-helixtrans-62-51.9177.6179.164000111.6L225 F314 Y367 L368 K369 D373 A374 L375 V392L225-L371 HydrophobicContact CD2-CD2 4.4Å; F314-L371 HydrophobicContact CB-CD2 3.88Å; F314-L371 HydrophobicContact CD1-CD1 4.03Å; F314-L371 HydrophobicContact CD1-CD2 3.7Å; F314-L371 HydrophobicContact CD2-CD2 4.48Å; F314-L371 HydrophobicContact CE1-CD1 4Å; F314-L371 HydrophobicContact CE1-CD2 4.41Å; F314-L371 HydrophobicContact CG-CD2 3.76Å; Y367-L371 HydrophobicContact CE1-CD2 4.49Å; Y367-L371 VanDerWaalsContact O-CB 3.24Å; Y367-L371 WeakPolarHBondContact O-CB 3.34Å; Y367-L371 PolarHBondContact O-N 3.34Å; L368-L371 PolarHBondContact O-N 2.81Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 3.06Å; L371-D373 PolarHBondContact O-N 3.33Å; L371-A374 PolarHBondContact O-N 3.27Å; L371-L375 HydrophobicContact CD1-CD1 3.89Å; L371-L375 HydrophobicContact CD1-CG 4.13Å; L371-L375 HydrophobicContact CG-CD1 3.86Å; L371-L375 HydrophobicContact CG-CG 4.46Å; L371-L375 VanDerWaalsContact O-CB 3.31Å; L371-L375 WeakPolarHBondContact O-CB 3.49Å; L371-L375 VanDerWaalsContact O-CG 3.24Å; L371-L375 WeakPolarHBondContact O-CG 3.36Å; L371-L375 PolarHBondContact O-N 2.74Å; L371-V392 HydrophobicContact CB-CG2 4.23Å; L371-V392 HydrophobicContact CD1-CG2 4.16Å
372T96.1Very high91Very high4 Ų461.1 Ų61.13%0.02528%0.277CS..Hα-helixtrans-64.6-40.4-178.852.40000112.1M224 L225 T228 L368 K369 S376M224-T372 HydrophobicContact CG-CG2 3.93Å; M224-T372 HydrophobicContact SD-CG2 4.06Å; M224-T372 PolarHBondContact SD-OG1 3.24Å; L225-T372 HydrophobicContact CD2-CG2 3.74Å; L225-T372 HydrophobicContact CG-CG2 4.46Å; T228-T372 HydrophobicContact CG2-CG2 4.29Å; T228-T372 WeakPolarHBondContact OG1-CB 3.43Å; T228-T372 WeakPolarHBondContact OG1-CG2 3.38Å; L368-T372 WeakPolarHBondContact O-CB 3.32Å; L368-T372 VanDerWaalsContact O-CG2 3.24Å; L368-T372 WeakPolarHBondContact O-CG2 3.27Å; L368-T372 PolarHBondContact O-N 3.42Å; L368-T372 PolarHBondContact O-OG1 2.92Å; K369-T372 PolarHBondContact O-N 3.02Å; K369-T372 PolarHBondContact O-OG1 2.82Å; T372-S376 VanDerWaalsContact O-CB 3.26Å; T372-S376 WeakPolarHBondContact O-CB 3.31Å; T372-S376 PolarHBondContact O-N 2.65Å; T372-S376 PolarHBondContact O-OG 3.15Å
373D94.8Very high91.3Very high77 Ų7754 Ų5441%0.41225%0.245SC..Hα-helixtrans-62.6-45.6173.2-86-11.4000112.1K369 L371 S376 K377K369-D373 WeakPolarHBondContact O-CB 2.86Å; K369-D373 PolarHBondContact O-N 2.74Å; L371-D373 PolarHBondContact O-N 3.33Å; D373-S376 PolarHBondContact O-N 3.06Å; D373-K377 WeakPolarHBondContact O-CB 3.04Å; D373-K377 WeakPolarHBondContact O-CD 3.45Å; D373-K377 VanDerWaalsContact O-CG 3.28Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 PolarHBondContact O-N 3.34Å
374A94.6Very high91.6Very high8 Ų854.4 Ų54.47%0.06625%0.247CC..Hα-helixtrans-67.3-42.8-178.700000111.3A370 L371 K377 A378 V388 K391 V392A370-A374 WeakPolarHBondContact O-CB 3.28Å; A370-A374 PolarHBondContact O-N 3.36Å; L371-A374 PolarHBondContact O-N 3.27Å; A374-K377 PolarHBondContact O-N 2.83Å; A374-A378 VanDerWaalsContact O-CB 3.27Å; A374-A378 WeakPolarHBondContact O-CB 3.37Å; A374-A378 PolarHBondContact O-N 3.32Å; A374-V388 HydrophobicContact CB-CG1 3.74Å; A374-K391 HydrophobicContact CB-CB 4.42Å; A374-V392 HydrophobicContact CB-CG2 4.01Å
375L94.2Very high91.7Very high1 Ų150 Ų501%0.00523%0.227CC..Hα-helixtrans-62.1-45.1174.4-75.3173.1000112.1T228 F229 L232 L371 K377 A378 K379 L385 V388 L422T228-L375 HydrophobicContact CG2-CB 4.06Å; T228-L375 HydrophobicContact CG2-CD1 4.26Å; F229-L375 HydrophobicContact CE1-CD1 4.35Å; F229-L375 HydrophobicContact CE2-CD1 4.42Å; F229-L375 HydrophobicContact CZ-CD1 3.87Å; L232-L375 HydrophobicContact CD1-CB 4.27Å; L232-L375 HydrophobicContact CD1-CD1 4.47Å; L232-L375 HydrophobicContact CD1-CD2 4.41Å; L371-L375 HydrophobicContact CD1-CD1 3.89Å; L371-L375 HydrophobicContact CD1-CG 4.13Å; L371-L375 HydrophobicContact CG-CD1 3.86Å; L371-L375 HydrophobicContact CG-CG 4.46Å; L371-L375 VanDerWaalsContact O-CB 3.31Å; L371-L375 WeakPolarHBondContact O-CB 3.49Å; L371-L375 VanDerWaalsContact O-CG 3.24Å; L371-L375 WeakPolarHBondContact O-CG 3.36Å; L371-L375 PolarHBondContact O-N 2.74Å; L375-K377 VanDerWaalsContact C-N 3.29Å; L375-K377 PolarHBondContact O-N 3.08Å; L375-A378 WeakPolarHBondContact O-CB 3.29Å; L375-A378 PolarHBondContact O-N 3.23Å; L375-A378 VanDerWaalsContact O-N 3.15Å; L375-K379 PolarHBondContact O-N 3.2Å; L375-L385 HydrophobicContact CD2-CD1 4.07Å; L375-V388 HydrophobicContact CD2-CG1 4.03Å; L375-V388 HydrophobicContact CG-CG1 4.2Å; L375-L422 HydrophobicContact CD2-CD1 3.72Å
376S91.6Very high91.5Very high57 Ų5752.8 Ų52.840%0.39924%0.241SC..Hα-helixtrans-61.5-37.6177.6-64.90000112.4T372 D373T372-S376 VanDerWaalsContact O-CB 3.26Å; T372-S376 WeakPolarHBondContact O-CB 3.31Å; T372-S376 PolarHBondContact O-N 2.65Å; T372-S376 PolarHBondContact O-OG 3.15Å; D373-S376 PolarHBondContact O-N 3.06Å
377K88.6Confident91.2Very high114 Ų11454.9 Ų54.950%0.49625%0.252SS..Hα-helixtrans-73.7-36.9174.4-70.7165.5-172.6161.30111.9D373 A374 L375 K379 R380 R381D373-K377 WeakPolarHBondContact O-CB 3.04Å; D373-K377 WeakPolarHBondContact O-CD 3.45Å; D373-K377 VanDerWaalsContact O-CG 3.28Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 PolarHBondContact O-N 3.34Å; A374-K377 PolarHBondContact O-N 2.83Å; L375-K377 VanDerWaalsContact C-N 3.29Å; L375-K377 PolarHBondContact O-N 3.08Å; K377-K379 VanDerWaalsContact C-N 3.33Å; K377-K379 PolarHBondContact O-N 3.15Å; K377-R380 PolarHBondContact O-N 2.57Å; K377-R381 PolarHBondContact O-N 2.89Å
378A85.4Confident91Very high4 Ų455 Ų553%0.03325%0.252CS..Hα-helixtrans-61.4-40.9179.400000111.9A374 L375 R380 R381 K382 T383 V388A374-A378 VanDerWaalsContact O-CB 3.27Å; A374-A378 WeakPolarHBondContact O-CB 3.37Å; A374-A378 PolarHBondContact O-N 3.32Å; L375-A378 WeakPolarHBondContact O-CB 3.29Å; L375-A378 PolarHBondContact O-N 3.23Å; L375-A378 VanDerWaalsContact O-N 3.15Å; A378-R380 PolarHBondContact O-N 3.37Å; A378-R381 CarbonylContact O-C 3.41Å; A378-R381 PolarHBondContact O-N 3.47Å; A378-R381 VanDerWaalsContact O-N 3.07Å; A378-K382 PolarHBondContact O-N 2.92Å; A378-T383 PolarHBondContact O-N 3.17Å; A378-V388 HydrophobicContact CB-CG2 3.47Å; A378-V388 VanDerWaalsContact CB-CG2 3.47Å
379K80.8Confident90.8Very high69 Ų6955 Ų5530%0.325%0.252SS..Hα-helixtrans-49.1-43.5174.6-162.3-171.7-177.4178.70112.5A231 L232 H233 L375 K377 E423A231-K379 PolarHBondContact O-NZ 3.39Å; L232-K379 HydrophobicContact CD2-CB 4.04Å; L232-K379 HydrophobicContact CD2-CD 4.1Å; L232-K379 HydrophobicContact CD2-CG 3.97Å; H233-K379 PolarHBondContact NE2-NZ 3.3Å; L375-K379 PolarHBondContact O-N 3.2Å; K377-K379 VanDerWaalsContact C-N 3.33Å; K377-K379 PolarHBondContact O-N 3.15Å; K379-E423 WeakPolarHBondContact CE-OXT 3.09Å; K379-E423 WeakPolarHBondContact CG-OXT 3.19Å
380R81.9Confident90.2Very high229 Ų22955.3 Ų55.386%0.86426%0.257SS*.Hα-helixtrans-79.6-29.8-177.7-61.1-178.6-175.6170.52.4113.5K377 A378K377-R380 PolarHBondContact O-N 2.57Å; A378-R380 PolarHBondContact O-N 3.37Å
381R83.3Confident89.9Confident182 Ų18259.4 Ų59.469%0.68727%0.272SS*.Hα-helixtrans-104.5-1.5-170.2-66.7-175.4-179.1179.41.3113.5K377 A378 T383K377-R381 PolarHBondContact O-N 2.89Å; A378-R381 CarbonylContact O-C 3.41Å; A378-R381 PolarHBondContact O-N 3.47Å; A378-R381 VanDerWaalsContact O-N 3.07Å; R381-T383 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 3.41Å
382K83.9Confident89.7Confident107 Ų10759.4 Ų59.447%0.46527%0.272SS..THydrogen-bonded Turntrans49.956.1-174.1-172.6169.8178.51190110.6A378 Y421 E423A378-K382 PolarHBondContact O-N 2.92Å; K382-Y421 HydrophobicContact CG-CD1 3.72Å; K382-Y421 HydrophobicContact CG-CE1 4.13Å; K382-Y421 HydrophobicContact CG-CG 4.19Å; K382-Y421 VanDerWaalsContact O-CD1 3.31Å; K382-Y421 WeakPolarHBondContact O-CD1 3.38Å; K382-Y421 WeakPolarHBondContact O-CE1 3.41Å; K382-E423 VanDerWaalsContact CD-OE1 3.26Å; K382-E423 WeakPolarHBondContact CD-OE1 2.97Å; K382-E423 WeakPolarHBondContact CE-OE1 3.28Å; K382-E423 VanDerWaalsContact CG-OE1 3.24Å; K382-E423 WeakPolarHBondContact CG-OE1 3.32Å; K382-E423 IonicContact NZ-OE1 2.69Å; K382-E423 PolarHBondContact NZ-OE1 3.29Å; K382-E423 IonicContact NZ-OE2 3.71Å
383T88.1Confident89.4Confident18 Ų1862.1 Ų62.111%0.1129%0.287CS..  trans-90.3135.9179.9-57.10000110.1A378 R381 D387 V388 Y421A378-T383 PolarHBondContact O-N 3.17Å; R381-T383 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 3.41Å; T383-D387 HydrophobicContact CG2-CB 3.58Å; T383-V388 HydrophobicContact CG2-CG2 3.99Å; T383-Y421 VanDerWaalsContact C-CD1 3.42Å; T383-Y421 WeakPolarHBondContact O-CD1 3.41Å
384D90.9Very high89.1Confident16 Ų1660 Ų609%0.08628%0.284CS..BIsolated β-bridgetrans-63.7146.9175.1179-94.9000111.1L386 D387 V388 N419 L420 Y421D384-L386 VanDerWaalsContact C-N 3.29Å; D384-L386 PolarHBondContact O-N 3.01Å; D384-L386 VanDerWaalsContact OD1-CB 3.3Å; D384-L386 WeakPolarHBondContact OD1-CB 3.45Å; D384-L386 PolarHBondContact OD1-N 2.96Å; D384-D387 WeakPolarHBondContact O-CB 3.04Å; D384-D387 PolarHBondContact O-N 2.87Å; D384-D387 VanDerWaalsContact O-N 3.13Å; D384-V388 WeakPolarHBondContact O-CG2 3.49Å; D384-V388 PolarHBondContact O-N 2.79Å; D384-N419 WeakPolarHBondContact OD2-CA 3.32Å; D384-L420 CarbonylContact C-O 3.41Å; D384-L420 PolarHBondContact OD2-N 2.68Å; D384-Y421 HydrophobicContact CB-CE1 3.94Å
385L94.5Very high89.1Confident2 Ų261.6 Ų61.61%0.0130%0.296CS..Hα-helixtrans-62.8-32.3-175.6-172.764.2000113.1L312 F314 L347 L375 V388 Q389 L420 L422L312-L385 HydrophobicContact CD1-CD2 3.68Å; L312-L385 HydrophobicContact CD2-CD2 3.64Å; L312-L385 HydrophobicContact CG-CD2 4.27Å; F314-L385 HydrophobicContact CZ-CD1 4.45Å; L347-L385 HydrophobicContact CD1-CD2 3.93Å; L347-L385 HydrophobicContact CD1-CG 4.22Å; L347-L385 HydrophobicContact CD2-CD2 4.47Å; L375-L385 HydrophobicContact CD2-CD1 4.07Å; L385-V388 HydrophobicContact CD1-CB 4.31Å; L385-V388 HydrophobicContact CD1-CG1 4.48Å; L385-V388 WeakPolarHBondContact O-CB 3.39Å; L385-V388 PolarHBondContact O-N 3.35Å; L385-Q389 WeakPolarHBondContact O-CG 2.88Å; L385-Q389 PolarHBondContact O-N 3.41Å; L385-L420 HydrophobicContact CB-CB 4.15Å; L385-L420 HydrophobicContact CB-CD2 4.32Å; L385-L420 HydrophobicContact CB-CG 4.22Å; L385-L420 WeakPolarHBondContact CB-O 3.31Å; L385-L420 HydrophobicContact CD2-CD2 3.56Å; L385-L420 HydrophobicContact CD2-CG 4.26Å; L385-L420 PolarHBondContact N-O 2.8Å; L385-L422 HydrophobicContact CD1-CD1 3.95Å
386L91.8Very high89Confident58 Ų5861.9 Ų61.930%0.30430%0.298SS..Hα-helixtrans-68.7-37.3176-59.6-179.6000111.1L347 D384 V388 Q389 M390 L416L347-L386 HydrophobicContact CD1-CD2 3.73Å; D384-L386 VanDerWaalsContact C-N 3.29Å; D384-L386 PolarHBondContact O-N 3.01Å; D384-L386 VanDerWaalsContact OD1-CB 3.3Å; D384-L386 WeakPolarHBondContact OD1-CB 3.45Å; D384-L386 PolarHBondContact OD1-N 2.96Å; L386-V388 VanDerWaalsContact C-N 3.29Å; L386-V388 PolarHBondContact O-N 3.24Å; L386-Q389 WeakPolarHBondContact O-CB 3.32Å; L386-Q389 PolarHBondContact O-N 3.49Å; L386-M390 PolarHBondContact O-N 2.87Å; L386-L416 HydrophobicContact CD2-CD1 4.39Å
387D89.5Confident88.8Confident76 Ų7665.9 Ų65.941%0.40631%0.305SS..Hα-helixtrans-66.4-31.9171.7-75.6-24.2000112.3T383 D384 M390 K391T383-D387 HydrophobicContact CG2-CB 3.58Å; D384-D387 WeakPolarHBondContact O-CB 3.04Å; D384-D387 PolarHBondContact O-N 2.87Å; D384-D387 VanDerWaalsContact O-N 3.13Å; D387-M390 WeakPolarHBondContact OD1-CE 3.39Å; D387-K391 WeakPolarHBondContact O-CG 3.3Å; D387-K391 PolarHBondContact O-N 3.48Å; D387-K391 VanDerWaalsContact O-N 3.14Å
388V92.6Very high89Confident1 Ų164.8 Ų64.81%0.00631%0.305CS..Hα-helixtrans-62.4-48.8170.1173.70000110A374 L375 A378 T383 D384 L385 L386 M390 K391 V392A374-V388 HydrophobicContact CB-CG1 3.74Å; L375-V388 HydrophobicContact CD2-CG1 4.03Å; L375-V388 HydrophobicContact CG-CG1 4.2Å; A378-V388 HydrophobicContact CB-CG2 3.47Å; A378-V388 VanDerWaalsContact CB-CG2 3.47Å; T383-V388 HydrophobicContact CG2-CG2 3.99Å; D384-V388 WeakPolarHBondContact O-CG2 3.49Å; D384-V388 PolarHBondContact O-N 2.79Å; L385-V388 HydrophobicContact CD1-CB 4.31Å; L385-V388 HydrophobicContact CD1-CG1 4.48Å; L385-V388 WeakPolarHBondContact O-CB 3.39Å; L385-V388 PolarHBondContact O-N 3.35Å; L386-V388 VanDerWaalsContact C-N 3.29Å; L386-V388 PolarHBondContact O-N 3.24Å; V388-M390 VanDerWaalsContact C-N 3.3Å; V388-M390 PolarHBondContact O-N 3.13Å; V388-K391 WeakPolarHBondContact O-CB 3.46Å; V388-K391 PolarHBondContact O-N 3.18Å; V388-K391 VanDerWaalsContact O-N 3.11Å; V388-V392 WeakPolarHBondContact O-CG2 3.36Å; V388-V392 PolarHBondContact O-N 3.39Å
389Q93.3Very high89.4Confident4 Ų466.3 Ų66.32%0.01931%0.311CS..Hα-helixtrans-60.7-38.4177.3-67.9-56.1-58.400112.3L347 S349 L385 L386 K391 V392 N393 V412L347-Q389 HydrophobicContact CD1-CG 4.34Å; S349-Q389 VanDerWaalsContact CB-OE1 3.31Å; S349-Q389 PolarHBondContact OG-OE1 3.22Å; L385-Q389 WeakPolarHBondContact O-CG 2.88Å; L385-Q389 PolarHBondContact O-N 3.41Å; L386-Q389 WeakPolarHBondContact O-CB 3.32Å; L386-Q389 PolarHBondContact O-N 3.49Å; Q389-K391 VanDerWaalsContact C-N 3.32Å; Q389-K391 PolarHBondContact O-N 3.15Å; Q389-V392 WeakPolarHBondContact O-CB 3.46Å; Q389-V392 PolarHBondContact O-N 3.42Å; Q389-V392 VanDerWaalsContact O-N 3.16Å; Q389-N393 PolarHBondContact O-N 2.85Å; Q389-V412 HydrophobicContact CB-CG1 4.27Å; Q389-V412 HydrophobicContact CB-CG2 4.28Å; Q389-V412 HydrophobicContact CG-CG1 4.04Å; Q389-V412 HydrophobicContact CG-CG2 4.41Å
390M84.4Confident89.9Confident122 Ų12265 Ų6560%0.60131%0.307SS*.Hα-helixtrans-60.8-40.1174.6-177.2172.250.200112.2L386 D387 V388 N393 G394L386-M390 PolarHBondContact O-N 2.87Å; D387-M390 WeakPolarHBondContact OD1-CE 3.39Å; V388-M390 VanDerWaalsContact C-N 3.3Å; V388-M390 PolarHBondContact O-N 3.13Å; M390-N393 PolarHBondContact O-N 3.2Å; M390-G394 PolarHBondContact O-N 3.45Å
391K90.8Very high90.5Very high98 Ų9860 Ų6043%0.42629%0.294SS..Hα-helixtrans-66.7-37.7174.4-70.6167.6-176162.90112.4A374 D387 V388 Q389 G394 A395A374-K391 HydrophobicContact CB-CB 4.42Å; D387-K391 WeakPolarHBondContact O-CG 3.3Å; D387-K391 PolarHBondContact O-N 3.48Å; D387-K391 VanDerWaalsContact O-N 3.14Å; V388-K391 WeakPolarHBondContact O-CB 3.46Å; V388-K391 PolarHBondContact O-N 3.18Å; V388-K391 VanDerWaalsContact O-N 3.11Å; Q389-K391 VanDerWaalsContact C-N 3.32Å; Q389-K391 PolarHBondContact O-N 3.15Å; K391-G394 PolarHBondContact O-N 3.37Å; K391-A395 PolarHBondContact O-N 3.15Å
392V93.8Very high91Very high0 Ų058.6 Ų58.60%029%0.292CS..Hα-helixtrans-62.1-48.6174.6175.40000110.3Y367 A370 L371 A374 V388 Q389 G394 A395 I396Y367-V392 HydrophobicContact CD2-CG1 3.67Å; Y367-V392 HydrophobicContact CE2-CG1 3.98Å; A370-V392 HydrophobicContact CB-CG1 4.18Å; L371-V392 HydrophobicContact CB-CG2 4.23Å; L371-V392 HydrophobicContact CD1-CG2 4.16Å; A374-V392 HydrophobicContact CB-CG2 4.01Å; V388-V392 WeakPolarHBondContact O-CG2 3.36Å; V388-V392 PolarHBondContact O-N 3.39Å; Q389-V392 WeakPolarHBondContact O-CB 3.46Å; Q389-V392 PolarHBondContact O-N 3.42Å; Q389-V392 VanDerWaalsContact O-N 3.16Å; V392-G394 VanDerWaalsContact C-N 3.3Å; V392-G394 PolarHBondContact O-N 2.95Å; V392-A395 PolarHBondContact O-N 2.9Å; V392-A395 VanDerWaalsContact O-N 3.15Å; V392-I396 HydrophobicContact CG1-CD1 4.02Å; V392-I396 WeakPolarHBondContact O-CG1 3.21Å; V392-I396 PolarHBondContact O-N 3.41Å
393N89.4Confident91.4Very high62 Ų6257.3 Ų57.333%0.33229%0.288SS..Hα-helixtrans-60.3-39.4177.5-71.1-8.3000112.1Q389 M390 I396 Y397 C410Q389-N393 PolarHBondContact O-N 2.85Å; M390-N393 PolarHBondContact O-N 3.2Å; N393-I396 PolarHBondContact O-N 2.98Å; N393-Y397 WeakPolarHBondContact O-CB 3.37Å; N393-Y397 PolarHBondContact O-N 3.21Å; N393-C410 PolarHBondContact OD1-SG 3.47Å; N393-C410 VanDerWaalsContact OD1-SG 3.36Å
394G88.6Confident91.3Very high33 Ų3360.8 Ų60.834%0.3431%0.311SS..Hα-helixtrans-62-44.2173.800000113.1M390 K391 V392 I396 Y397 D398M390-G394 PolarHBondContact O-N 3.45Å; K391-G394 PolarHBondContact O-N 3.37Å; V392-G394 VanDerWaalsContact C-N 3.3Å; V392-G394 PolarHBondContact O-N 2.95Å; G394-I396 VanDerWaalsContact C-N 3.35Å; G394-I396 PolarHBondContact O-N 3.33Å; G394-Y397 PolarHBondContact O-N 3.43Å; G394-D398 PolarHBondContact O-N 3.44Å
395A93.5Very high91.1Very high40 Ų4066.4 Ų66.433%0.33134%0.337SS..Hα-helixtrans-64.6-38.4177.400000112.6A370 K391 V392 H399A370-A395 HydrophobicContact CB-CB 3.78Å; K391-A395 PolarHBondContact O-N 3.15Å; V392-A395 PolarHBondContact O-N 2.9Å; V392-A395 VanDerWaalsContact O-N 3.15Å; A395-H399 WeakPolarHBondContact O-CB 3.39Å; A395-H399 PolarHBondContact O-N 2.83Å
396I91.8Very high90.9Very high7 Ų766.8 Ų66.84%0.03634%0.34CS..Hα-helixtrans-65.1-44.3174.1-71.1171.1000110.9Y367 V392 N393 G394 D398 H399 N400 Y408 C410Y367-I396 HydrophobicContact CD2-CD1 3.91Å; Y367-I396 HydrophobicContact CG-CD1 4.44Å; V392-I396 HydrophobicContact CG1-CD1 4.02Å; V392-I396 WeakPolarHBondContact O-CG1 3.21Å; V392-I396 PolarHBondContact O-N 3.41Å; N393-I396 PolarHBondContact O-N 2.98Å; G394-I396 VanDerWaalsContact C-N 3.35Å; G394-I396 PolarHBondContact O-N 3.33Å; I396-D398 PolarHBondContact O-N 3.23Å; I396-H399 WeakPolarHBondContact O-CB 3.32Å; I396-H399 PolarHBondContact O-N 2.98Å; I396-N400 WeakPolarHBondContact O-CB 3.46Å; I396-N400 PolarHBondContact O-N 2.83Å; I396-N400 PolarHBondContact O-OD1 3.21Å; I396-Y408 WeakPolarHBondContact CG2-O 3.43Å; I396-C410 HydrophobicContact CD1-CB 3.68Å
397Y88.8Confident90.9Very high142 Ų14267 Ų6756%0.55734%0.342SS*.Hα-helixtrans-58.5-48176.6-179.1-92.8000111.5N393 G394 H399 N400 Q401N393-Y397 WeakPolarHBondContact O-CB 3.37Å; N393-Y397 PolarHBondContact O-N 3.21Å; G394-Y397 PolarHBondContact O-N 3.43Å; Y397-H399 VanDerWaalsContact C-N 3.3Å; Y397-H399 PolarHBondContact O-N 3.08Å; Y397-N400 PolarHBondContact O-N 2.86Å; Y397-Q401 HydrophobicContact CD1-CG 4.28Å; Y397-Q401 HydrophobicContact CE1-CG 3.91Å; Y397-Q401 WeakPolarHBondContact O-CG 3.28Å; Y397-Q401 PolarHBondContact O-N 2.88Å; Y397-Q401 PolarHBondContact OH-NE2 3.3Å
398D92.1Very high91Very high91 Ų9163.5 Ų63.549%0.48732%0.323SS..Hα-helixtrans-62.1-36.1177.9-74-13.7000112.8G394 I396 K402G394-D398 PolarHBondContact O-N 3.44Å; I396-D398 PolarHBondContact O-N 3.23Å; D398-K402 WeakPolarHBondContact O-CG 3.44Å
399H94.9Very high91Very high36 Ų3669.2 Ų69.217%0.16734%0.344CS..Hα-helixtrans-65.7-50.4173.9173.784.4000111.1V366 A395 I396 Y397 Q401 K402 H403 A406V366-H399 HydrophobicContact CG1-CB 3.82Å; A395-H399 WeakPolarHBondContact O-CB 3.39Å; A395-H399 PolarHBondContact O-N 2.83Å; I396-H399 WeakPolarHBondContact O-CB 3.32Å; I396-H399 PolarHBondContact O-N 2.98Å; Y397-H399 VanDerWaalsContact C-N 3.3Å; Y397-H399 PolarHBondContact O-N 3.08Å; H399-Q401 PolarHBondContact O-N 3.14Å; H399-K402 PolarHBondContact O-N 3.23Å; H399-H403 AromaticContact CE1-CD2 3.53Å; H399-H403 AromaticContact CE1-CG 3.84Å; H399-H403 AromaticContact ND1-CD2 3.53Å; H399-H403 PolarHBondContact O-N 3.26Å; H399-A406 PolarHBondContact CD2-O 3.2Å; H399-A406 PolarHBondContact NE2-O 2.84Å
400N90.8Very high90.8Very high41 Ų4170.5 Ų70.522%0.21935%0.353CS..Hα-helixtrans-60.2-32-178.6-69.4-10.1000112.8I396 Y397 K402 N407 Y408I396-N400 WeakPolarHBondContact O-CB 3.46Å; I396-N400 PolarHBondContact O-N 2.83Å; I396-N400 PolarHBondContact O-OD1 3.21Å; Y397-N400 PolarHBondContact O-N 2.86Å; N400-K402 VanDerWaalsContact C-N 3.31Å; N400-N407 WeakPolarHBondContact OD1-CA 3.27Å; N400-Y408 PolarHBondContact ND2-O 3.1Å; N400-Y408 PolarHBondContact OD1-N 3.12Å
401Q93.1Very high91Very high125 Ų12567.1 Ų67.158%0.58434%0.338SS*.Hα-helixtrans-67.3-30.7174.4-71.5-63.9-28.800113.1Y397 H399Y397-Q401 HydrophobicContact CD1-CG 4.28Å; Y397-Q401 HydrophobicContact CE1-CG 3.91Å; Y397-Q401 WeakPolarHBondContact O-CG 3.28Å; Y397-Q401 PolarHBondContact O-N 2.88Å; Y397-Q401 PolarHBondContact OH-NE2 3.3Å; H399-Q401 PolarHBondContact O-N 3.14Å
402K94.9Very high90.9Very high151 Ų15164.2 Ų64.266%0.65733%0.328SS*.Hα-helixtrans-91.9-27.8-178.1-66.4170.3-172.4164.60112.8D398 H399 N400D398-K402 WeakPolarHBondContact O-CG 3.44Å; H399-K402 PolarHBondContact O-N 3.23Å; N400-K402 VanDerWaalsContact C-N 3.31Å
403H91.4Very high90.7Very high80 Ų8066.3 Ų66.337%0.3734%0.337SS..  trans-132.367-172.8-58.6-69.6000110.8H399 E405 A406H399-H403 AromaticContact CE1-CD2 3.53Å; H399-H403 AromaticContact CE1-CG 3.84Å; H399-H403 AromaticContact ND1-CD2 3.53Å; H399-H403 PolarHBondContact O-N 3.26Å; H403-E405 IonicContact ND1-OE1 3.12Å; H403-E405 PolarHBondContact O-N 3.4Å; H403-A406 HydrophobicContact CB-CB 4.26Å; H403-A406 CarbonylContact O-C 3.59Å; H403-A406 PolarHBondContact O-N 3.15Å
404P87Confident90.8Very high91 Ų9167.5 Ų67.559%0.59134%0.34SS*.G310 helixtrans-59.6-26.9-177.224.4-34.7000113.7A406P404-A406 VanDerWaalsContact C-N 3.3Å
405E87.1Confident90.9Very high135 Ų13567.6 Ų67.663%0.63133%0.334SS*.G310 helixtrans-75.5-13176.371.9-71.9169.300114.5H403H403-E405 IonicContact ND1-OE1 3.12Å; H403-E405 PolarHBondContact O-N 3.4Å
406A89.5Confident90.7Very high10 Ų1066.7 Ų66.78%0.08332%0.324CS..G310 helixtrans-130.150.7-176.600000110.1Q357 H399 H403 P404 Y408Q357-A406 VanDerWaalsContact OE1-CB 3.23Å; H399-A406 PolarHBondContact CD2-O 3.2Å; H399-A406 PolarHBondContact NE2-O 2.84Å; H403-A406 HydrophobicContact CB-CB 4.26Å; H403-A406 CarbonylContact O-C 3.59Å; H403-A406 PolarHBondContact O-N 3.15Å; P404-A406 VanDerWaalsContact C-N 3.3Å; A406-Y408 WeakPolarHBondContact O-CD2 3.5Å
407N91.8Very high90.6Very high62 Ų6273.6 Ų73.633%0.33235%0.35SS..  trans-76.6145.8-172.470.7-14000112.8T353 N400T353-N407 WeakPolarHBondContact CB-O 3.12Å; T353-N407 PolarHBondContact OG1-O 2.78Å; N400-N407 WeakPolarHBondContact OD1-CA 3.27Å
408Y92.2Very high90.8Very high3 Ų370.2 Ų70.21%0.01234%0.338CS..  trans-116.3137.4172.4-76.8-108.5000109.3T353 H363 V366 I396 N400 A406T353-Y408 HydrophobicContact CG2-CD1 4.18Å; T353-Y408 HydrophobicContact CG2-CE1 3.71Å; T353-Y408 HydrophobicContact CG2-CE2 4.37Å; H363-Y408 PolarHBondContact CE1-OH 3.16Å; H363-Y408 PolarHBondContact NE2-OH 3.07Å; V366-Y408 HydrophobicContact CB-CD2 4.1Å; V366-Y408 HydrophobicContact CB-CE1 4.34Å; V366-Y408 HydrophobicContact CB-CE2 3.89Å; V366-Y408 HydrophobicContact CB-CG 4.43Å; V366-Y408 HydrophobicContact CG2-CD2 4.14Å; V366-Y408 HydrophobicContact CG2-CE2 3.6Å; V366-Y408 PolarHBondContact N-OH 3.08Å; I396-Y408 WeakPolarHBondContact CG2-O 3.43Å; N400-Y408 PolarHBondContact ND2-O 3.1Å; N400-Y408 PolarHBondContact OD1-N 3.12Å; A406-Y408 WeakPolarHBondContact O-CD2 3.5Å
409R91.8Very high90.7Very high120 Ų12068.6 Ų68.645%0.45333%0.329SS..EExtended strand (participates in β ladder)trans-112.5133.4170.7-66.8180-177.41674108.2C351 W352C351-R409 CarbonylContact C-O 3.57Å; C351-R409 WeakPolarHBondContact CA-O 3.37Å; C351-R409 PolarHBondContact SG-O 3.5Å; W352-R409 HydrophobicContact CD2-CB 4Å; W352-R409 VanDerWaalsContact CE2-CB 3.48Å; W352-R409 HydrophobicContact CG-CB 4.4Å; W352-R409 HydrophobicContact CH2-CB 4.36Å; W352-R409 HydrophobicContact CZ2-CB 3.69Å; W352-R409 PolarHBondContact N-O 3.39Å; W352-R409 PolarHBondContact O-N 3.36Å
410C90.4Very high90.6Very high31 Ų3166.9 Ų66.921%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-130.4128.3-178.5-175.50000109.1H350 C351 N393 I396H350-C410 WeakPolarHBondContact O-CA 3.19Å; C351-C410 HydrophobicContact CB-CB 4.18Å; N393-C410 PolarHBondContact OD1-SG 3.47Å; N393-C410 VanDerWaalsContact OD1-SG 3.36Å; I396-C410 HydrophobicContact CD1-CB 3.68Å
411D87.9Confident90.6Very high52 Ų5267.3 Ų67.328%0.27832%0.32SS..EExtended strand (participates in β ladder)trans-118.7135.7174.3-176.435.1000109.3H350 W352 K413H350-D411 PolarHBondContact N-O 3.03Å; H350-D411 PolarHBondContact O-N 3.23Å; W352-D411 HydrophobicContact CH2-CB 3.91Å; W352-D411 HydrophobicContact CZ3-CB 3.84Å; D411-K413 WeakPolarHBondContact OD2-CE 3.26Å; D411-K413 IonicContact OD2-NZ 3.69Å; D411-K413 PolarHBondContact OD2-NZ 2.95Å
412V88.7Confident90.3Very high37 Ų3761.8 Ų61.822%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-127.8115.1-179-177.70000108.4W348 Q389W348-V412 CarbonylContact O-C 3.57Å; W348-V412 WeakPolarHBondContact O-CA 3.45Å; Q389-V412 HydrophobicContact CB-CG1 4.27Å; Q389-V412 HydrophobicContact CB-CG2 4.28Å; Q389-V412 HydrophobicContact CG-CG1 4.04Å; Q389-V412 HydrophobicContact CG-CG2 4.41Å
413K89.6Confident89.3Confident43 Ų4358.5 Ų58.519%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-119.5139.8177.2-56.8-172.9175.6123.50109.5E338 P340 P341 W348 D411E338-K413 PolarHBondContact O-NZ 2.92Å; P340-K413 HydrophobicContact CB-CD 4.19Å; P341-K413 HydrophobicContact CG-CB 4.1Å; W348-K413 PolarHBondContact N-O 2.8Å; W348-K413 PolarHBondContact O-N 3.05Å; D411-K413 WeakPolarHBondContact OD2-CE 3.26Å; D411-K413 IonicContact OD2-NZ 3.69Å; D411-K413 PolarHBondContact OD2-NZ 2.95Å
414H91.3Very high89.2Confident87 Ų8757.4 Ų57.440%0.40328%0.277SS..EExtended strand (participates in β ladder)trans-151.8159.8179.575.588.7000113.6V346 L347 L416V346-H414 CarbonylContact O-C 3.45Å; V346-H414 WeakPolarHBondContact O-CA 3.47Å; V346-H414 WeakPolarHBondContact O-CB 3.5Å; L347-H414 HydrophobicContact CB-CB 4.19Å; L347-H414 HydrophobicContact CD1-CB 4.37Å; L347-H414 HydrophobicContact CG-CB 4.31Å; H414-L416 HydrophobicContact CB-CG 4.29Å
415T91.4Very high89.3Confident35 Ų3555.6 Ų55.622%0.21526%0.26CS..  trans-131.420.7173.155.10000110.5P341 E343 D345 V346 R417P341-T415 HydrophobicContact CG-CG2 4.36Å; P341-T415 WeakPolarHBondContact O-CG2 3.4Å; E343-T415 VanDerWaalsContact O-CB 3.28Å; E343-T415 WeakPolarHBondContact O-CB 3.45Å; E343-T415 PolarHBondContact O-OG1 3.02Å; D345-T415 PolarHBondContact N-O 3.26Å; D345-T415 VanDerWaalsContact N-O 3.09Å; D345-T415 PolarHBondContact N-OG1 2.99Å; V346-T415 PolarHBondContact N-OG1 3.42Å; V346-T415 PolarHBondContact O-N 3.23Å; V346-T415 PolarHBondContact O-OG1 2.97Å; T415-R417 WeakPolarHBondContact O-CG 3.33Å; T415-R417 PolarHBondContact O-N 3.08Å
416L88.9Confident89.5Confident22 Ų2251.2 Ų51.212%0.11524%0.24CC..  trans-54.7136.3170.6-62.2-179.3000110.2Y202 P310 L312 L347 L386 H414 L420Y202-L416 HydrophobicContact CE2-CB 4.38Å; Y202-L416 HydrophobicContact CE2-CD2 4.11Å; P310-L416 HydrophobicContact CB-CD2 4.16Å; L312-L416 HydrophobicContact CD2-CD2 4.49Å; L347-L416 HydrophobicContact CB-CD1 4.09Å; L347-L416 HydrophobicContact CB-CG 4.25Å; L347-L416 HydrophobicContact CD1-CD1 3.87Å; L386-L416 HydrophobicContact CD2-CD1 4.39Å; H414-L416 HydrophobicContact CB-CG 4.29Å; L416-L420 HydrophobicContact CD1-CD2 4.13Å; L416-L420 HydrophobicContact CD2-CD2 4.4Å
417R89.7Confident89.4Confident151 Ų15153.6 Ų53.657%0.5725%0.249SC*.  trans-112.9-2.9-173.4-60.6-179.6-69.3171-3.7113.6Y202 D345 T415Y202-R417 PolarHBondContact OH-N 3Å; D345-R417 VanDerWaalsContact CG-NH2 3.27Å; D345-R417 IonicContact OD1-CZ 3.98Å; D345-R417 IonicContact OD1-NE 3.1Å; D345-R417 PolarHBondContact OD1-NE 3.37Å; D345-R417 IonicContact OD1-NH2 3.36Å; D345-R417 PolarHBondContact OD1-NH2 3.15Å; D345-R417 VanDerWaalsContact OD1-NH2 3.1Å; D345-R417 IonicContact OD2-CZ 3.25Å; D345-R417 IonicContact OD2-NE 2.68Å; D345-R417 IonicContact OD2-NH2 3.54Å; D345-R417 PolarHBondContact OD2-NH2 2.97Å; T415-R417 WeakPolarHBondContact O-CG 3.33Å; T415-R417 PolarHBondContact O-N 3.08Å
418K91.5Very high89.3Confident72 Ų7253.1 Ų53.131%0.31324%0.244SC..SBendtrans-146159.2-177.5-56.4-176-179-170.40109Y202Y202-K418 HydrophobicContact CD1-CD 4.33Å; Y202-K418 HydrophobicContact CD2-CB 3.73Å; Y202-K418 HydrophobicContact CE1-CB 4.5Å; Y202-K418 HydrophobicContact CE1-CD 4.44Å; Y202-K418 HydrophobicContact CE2-CB 3.7Å; Y202-K418 HydrophobicContact CE2-CG 4.49Å; Y202-K418 WeakPolarHBondContact CE2-O 3.22Å; Y202-K418 HydrophobicContact CG-CB 4.17Å
419N90.8Very high89.1Confident56 Ų5656.5 Ų56.530%0.29926%0.259SS..BIsolated β-bridgetrans-64.1141.9172.1-58.2-54.3000110.4D200 Q201 Y202 D384 Y421D200-N419 WeakPolarHBondContact O-CB 3.38Å; D200-N419 PolarHBondContact O-N 2.84Å; D200-N419 PolarHBondContact O-ND2 3.21Å; D200-N419 PolarHBondContact OD2-ND2 3.37Å; D200-N419 VanDerWaalsContact OD2-ND2 3.1Å; Q201-N419 WeakPolarHBondContact CA-O 3.29Å; Q201-N419 WeakPolarHBondContact CG-O 3.18Å; Y202-N419 PolarHBondContact N-O 3.49Å; D384-N419 WeakPolarHBondContact OD2-CA 3.32Å; N419-Y421 HydrophobicContact CB-CD2 4.36Å; N419-Y421 HydrophobicContact CB-CE2 3.52Å
420L93.2Very high88.9Confident0 Ų051.9 Ų51.90%025%0.246CC..  trans-128.4112.5-173.4-178.456.7000110.4Y202 L204 P310 L312 D384 L385 L416 L422Y202-L420 HydrophobicContact CD2-CB 3.93Å; Y202-L420 HydrophobicContact CD2-CD1 3.97Å; Y202-L420 HydrophobicContact CD2-CG 4.4Å; Y202-L420 HydrophobicContact CG-CD1 4.24Å; L204-L420 HydrophobicContact CD1-CD1 3.65Å; L204-L420 HydrophobicContact CG-CD1 4.2Å; P310-L420 HydrophobicContact CB-CD1 4.26Å; P310-L420 HydrophobicContact CB-CD2 3.7Å; P310-L420 HydrophobicContact CG-CD1 3.9Å; P310-L420 HydrophobicContact CG-CD2 4.22Å; L312-L420 HydrophobicContact CD1-CD2 4.07Å; L312-L420 HydrophobicContact CD2-CD2 3.69Å; L312-L420 HydrophobicContact CG-CD2 4.43Å; D384-L420 CarbonylContact C-O 3.41Å; D384-L420 PolarHBondContact OD2-N 2.68Å; L385-L420 HydrophobicContact CB-CB 4.15Å; L385-L420 HydrophobicContact CB-CD2 4.32Å; L385-L420 HydrophobicContact CB-CG 4.22Å; L385-L420 WeakPolarHBondContact CB-O 3.31Å; L385-L420 HydrophobicContact CD2-CD2 3.56Å; L385-L420 HydrophobicContact CD2-CG 4.26Å; L385-L420 PolarHBondContact N-O 2.8Å; L416-L420 HydrophobicContact CD1-CD2 4.13Å; L416-L420 HydrophobicContact CD2-CD2 4.4Å; L420-L422 HydrophobicContact CD1-CD2 4.45Å
421Y91.3Very high88.8Confident51 Ų5153.5 Ų53.520%0.225%0.248CC..BIsolated β-bridgetrans-115.5119.4-179.9-56.6-90.3000109.6Q201 K382 T383 D384 N419 E423Q201-Y421 HydrophobicContact CG-CD2 3.72Å; Q201-Y421 HydrophobicContact CG-CE2 3.92Å; K382-Y421 HydrophobicContact CG-CD1 3.72Å; K382-Y421 HydrophobicContact CG-CE1 4.13Å; K382-Y421 HydrophobicContact CG-CG 4.19Å; K382-Y421 VanDerWaalsContact O-CD1 3.31Å; K382-Y421 WeakPolarHBondContact O-CD1 3.38Å; K382-Y421 WeakPolarHBondContact O-CE1 3.41Å; T383-Y421 VanDerWaalsContact C-CD1 3.42Å; T383-Y421 WeakPolarHBondContact O-CD1 3.41Å; D384-Y421 HydrophobicContact CB-CE1 3.94Å; N419-Y421 HydrophobicContact CB-CD2 4.36Å; N419-Y421 HydrophobicContact CB-CE2 3.52Å; Y421-E423 PolarHBondContact O-N 3.2Å
422L85.6Confident88.9Confident8 Ų853.7 Ų53.74%0.04225%0.246CC..  trans-90.483.1174.8-58-180000108.5L204 L232 F234 L312 L375 L385 L420L204-L422 HydrophobicContact CD1-CD2 3.55Å; L232-L422 HydrophobicContact CD1-CB 4.36Å; L232-L422 HydrophobicContact CD1-CD1 4.46Å; L232-L422 HydrophobicContact CD2-CB 4.25Å; L232-L422 WeakPolarHBondContact CD2-O 3.46Å; F234-L422 HydrophobicContact CE2-CD2 4.23Å; F234-L422 HydrophobicContact CZ-CD2 4.12Å; L312-L422 HydrophobicContact CD1-CD1 4.27Å; L312-L422 HydrophobicContact CD1-CD2 4.41Å; L375-L422 HydrophobicContact CD2-CD1 3.72Å; L385-L422 HydrophobicContact CD1-CD1 3.95Å; L420-L422 HydrophobicContact CD1-CD2 4.45Å
423E74.8Confident88.9Confident82 Ų8255.2 Ų55.238%0.38325%0.248SC..  trans-910-175.6-67.6178.3-156.300114.6R209 K379 K382 Y421R209-E423 PolarHBondContact NH1-O 2.83Å; R209-E423 PolarHBondContact NH2-O 3.03Å; K379-E423 WeakPolarHBondContact CE-OXT 3.09Å; K379-E423 WeakPolarHBondContact CG-OXT 3.19Å; K382-E423 VanDerWaalsContact CD-OE1 3.26Å; K382-E423 WeakPolarHBondContact CD-OE1 2.97Å; K382-E423 WeakPolarHBondContact CE-OE1 3.28Å; K382-E423 VanDerWaalsContact CG-OE1 3.24Å; K382-E423 WeakPolarHBondContact CG-OE1 3.32Å; K382-E423 IonicContact NZ-OE1 2.69Å; K382-E423 PolarHBondContact NZ-OE1 3.29Å; K382-E423 IonicContact NZ-OE2 3.71Å; Y421-E423 PolarHBondContact O-N 3.2Å

Retrieved 423 of 423 residues in 1446.5 ms (Link to these results)

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