A0A3Q0KTR2_SCHMA Loading...

Histone acetyltransferase type B catalytic subunit

AlphaFold DB , UniProt , Accession A0A3Q0KTR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 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
1M49.6Very low62.5Low201 Ų201103.5 Ų103.599%0.9953%0.532SS*.  0-41.40-83.5-166.9-129.400113.1S4 L5M1-S4 WeakPolarHBondContact CA-OG 3.33Å; M1-S4 PolarHBondContact O-OG 3.2Å; M1-L5 WeakPolarHBondContact O-CD1 3.22Å; M1-L5 WeakPolarHBondContact O-CG 3.45Å; M1-L5 PolarHBondContact O-N 2.97Å
2M48.6Very low64.6Low161 Ų161102.4 Ų102.479%0.79353%0.528SS*.Hα-helixtrans-64.7-43.1177.4-78.7-175.5-17700113.6S4 L5 N6M2-S4 VanDerWaalsContact C-N 3.34Å; M2-S4 PolarHBondContact O-N 2.76Å; M2-L5 PolarHBondContact O-N 2.64Å; M2-N6 PolarHBondContact O-N 3.03Å; M2-N6 VanDerWaalsContact O-N 3.09Å
3D57.2Low66.8Low111 Ų11196.4 Ų96.459%0.59450%0.495SS*.Hα-helixtrans-61.9-41.4178.8-76.1-44.5000112.5L5 N6 T7D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 3.18Å; D3-N6 PolarHBondContact O-N 3.19Å; D3-T7 PolarHBondContact O-N 2.86Å; D3-T7 PolarHBondContact O-OG1 2.95Å
4S54.5Low68.7Low66 Ų6699 Ų9946%0.46250%0.495SS..Hα-helixtrans-66-29177.850.60000113.9M1 M2 R8M1-S4 WeakPolarHBondContact CA-OG 3.33Å; M1-S4 PolarHBondContact O-OG 3.2Å; M2-S4 VanDerWaalsContact C-N 3.34Å; M2-S4 PolarHBondContact O-N 2.76Å; S4-R8 WeakPolarHBondContact O-CG 3.41Å; S4-R8 PolarHBondContact O-N 2.97Å
5L51.2Low70.5Confident114 Ų11494.3 Ų94.360%0.59747%0.474SS*.Hα-helixtrans-75-40.8175.9-76.6158.7000110.9M1 M2 D3 R8 S9M1-L5 WeakPolarHBondContact O-CD1 3.22Å; M1-L5 WeakPolarHBondContact O-CG 3.45Å; M1-L5 PolarHBondContact O-N 2.97Å; M2-L5 PolarHBondContact O-N 2.64Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 3.18Å; L5-R8 PolarHBondContact O-N 3.38Å; L5-S9 PolarHBondContact O-N 3.03Å
6N59.7Low72.2Confident74 Ų7492.2 Ų92.240%0.39646%0.464SS..Hα-helixtrans-67.6-36.6175.8-79.6-7.7000112.5M2 D3 S9 L10M2-N6 PolarHBondContact O-N 3.03Å; M2-N6 VanDerWaalsContact O-N 3.09Å; D3-N6 PolarHBondContact O-N 3.19Å; N6-S9 PolarHBondContact O-N 3.19Å; N6-L10 WeakPolarHBondContact O-CG 3.32Å; N6-L10 PolarHBondContact O-N 3.35Å
7T60.9Low73.6Confident81 Ų8186.8 Ų86.850%0.49744%0.437SS..Hα-helixtrans-63.3-47.9175.4-45.90000111.2D3 S9 L10 D11D3-T7 PolarHBondContact O-N 2.86Å; D3-T7 PolarHBondContact O-OG1 2.95Å; T7-S9 VanDerWaalsContact C-N 3.25Å; T7-S9 PolarHBondContact O-N 2.74Å; T7-L10 PolarHBondContact O-N 3.46Å; T7-D11 PolarHBondContact O-N 2.73Å; T7-D11 VanDerWaalsContact O-N 3.12Å
8R61.7Low74.9Confident186 Ų18682.9 Ų82.970%0.70242%0.419SS*.Hα-helixtrans-60-36.4176.8-74.1-178.6178.8-175.3-0.6112.5S4 L5 L10 D11S4-R8 WeakPolarHBondContact O-CG 3.41Å; S4-R8 PolarHBondContact O-N 2.97Å; L5-R8 PolarHBondContact O-N 3.38Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.88Å; R8-D11 PolarHBondContact O-N 3.29Å
9S73.6Confident76.1Confident33 Ų3384.7 Ų84.723%0.23143%0.43CS..Hα-helixtrans-65.5-29.1176.8175.50000113.6L5 N6 T7 Y13 R57L5-S9 PolarHBondContact O-N 3.03Å; N6-S9 PolarHBondContact O-N 3.19Å; T7-S9 VanDerWaalsContact C-N 3.25Å; T7-S9 PolarHBondContact O-N 2.74Å; S9-Y13 VanDerWaalsContact O-CD2 3.28Å; S9-Y13 WeakPolarHBondContact O-CD2 3.42Å; S9-R57 PolarHBondContact O-NH2 2.94Å
10L84.5Confident77.1Confident35 Ų3580.6 Ų80.618%0.18341%0.41CS..Hα-helixtrans-88.1-25.7-178.8-71172.4000112.5N6 T7 R8 D12 Y13 V82 L86N6-L10 WeakPolarHBondContact O-CG 3.32Å; N6-L10 PolarHBondContact O-N 3.35Å; T7-L10 PolarHBondContact O-N 3.46Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.88Å; L10-D12 VanDerWaalsContact C-N 3.25Å; L10-D12 PolarHBondContact O-N 3.27Å; L10-Y13 WeakPolarHBondContact O-CB 3.28Å; L10-Y13 PolarHBondContact O-N 2.89Å; L10-V82 HydrophobicContact CD2-CG2 3.95Å; L10-L86 HydrophobicContact CD2-CG 4.29Å
11D85.7Confident78.1Confident77 Ų7776.8 Ų76.841%0.41239%0.39SS..Hα-helixtrans-62.2-33.8174.6-69.1-31000111.6T7 R8 Y13 R14T7-D11 PolarHBondContact O-N 2.73Å; T7-D11 VanDerWaalsContact O-N 3.12Å; R8-D11 PolarHBondContact O-N 3.29Å; D11-Y13 PolarHBondContact O-N 3.07Å; D11-Y13 VanDerWaalsContact O-N 3.12Å; D11-R14 WeakPolarHBondContact O-CB 3.38Å; D11-R14 PolarHBondContact O-N 3.5Å; D11-R14 IonicContact OD1-NH1 2.87Å
12D88.7Confident80.4Confident90 Ų9070.3 Ų70.348%0.48136%0.358SS..THydrogen-bonded Turntrans-59.9-21173-68.4-15.7000113.6L10 R57L10-D12 VanDerWaalsContact C-N 3.25Å; L10-D12 PolarHBondContact O-N 3.27Å; D12-R57 IonicContact OD2-CZ 2.81Å; D12-R57 IonicContact OD2-NH1 3.94Å; D12-R57 PolarHBondContact OD2-NH1 2.86Å; D12-R57 IonicContact OD2-NH2 2.89Å; D12-R57 PolarHBondContact OD2-NH2 3.42Å
13Y92.8Very high82.7Confident24 Ų2462.6 Ų62.69%0.09432%0.32CS..THydrogen-bonded Turntrans-94.85.1178.1-70-87.7000112.7S9 L10 D11 F54 G55 Y56 R57 S80 V82 L86S9-Y13 VanDerWaalsContact O-CD2 3.28Å; S9-Y13 WeakPolarHBondContact O-CD2 3.42Å; L10-Y13 WeakPolarHBondContact O-CB 3.28Å; L10-Y13 PolarHBondContact O-N 2.89Å; D11-Y13 PolarHBondContact O-N 3.07Å; D11-Y13 VanDerWaalsContact O-N 3.12Å; Y13-F54 CarbonylContact O-C 3.59Å; Y13-F54 WeakPolarHBondContact O-CA 3.47Å; Y13-G55 PolarHBondContact O-N 3.08Å; Y13-Y56 CarbonylContact C-O 3.56Å; Y13-Y56 WeakPolarHBondContact CA-O 3.33Å; Y13-Y56 PolarHBondContact O-N 3.29Å; Y13-R57 HydrophobicContact CD1-CG 3.73Å; Y13-R57 HydrophobicContact CD2-CG 4.44Å; Y13-R57 HydrophobicContact CE1-CG 3.62Å; Y13-R57 HydrophobicContact CE2-CG 4.36Å; Y13-R57 HydrophobicContact CG-CG 4.15Å; Y13-R57 PolarHBondContact OH-NE 2.94Å; Y13-S80 PolarHBondContact OH-OG 2.89Å; Y13-V82 HydrophobicContact CD1-CB 3.69Å; Y13-V82 HydrophobicContact CD1-CG2 4.36Å; Y13-V82 HydrophobicContact CD2-CB 4.45Å; Y13-V82 HydrophobicContact CD2-CG2 4.25Å; Y13-V82 HydrophobicContact CE1-CB 3.89Å; Y13-V82 HydrophobicContact CE1-CG2 4.46Å; Y13-V82 HydrophobicContact CE2-CG2 4.35Å; Y13-V82 HydrophobicContact CG-CB 3.99Å; Y13-V82 HydrophobicContact CG-CG2 4.24Å; Y13-L86 HydrophobicContact CE2-CD2 4.28Å
14R93.9Very high84.5Confident133 Ų13358.6 Ų58.650%0.50230%0.297SS..EExtended strand (participates in β ladder)trans-104.3117.4174.2-70177.6173.4-179.1-7109D11 F54D11-R14 WeakPolarHBondContact O-CB 3.38Å; D11-R14 PolarHBondContact O-N 3.5Å; D11-R14 IonicContact OD1-NH1 2.87Å; R14-F54 HydrophobicContact CG-CD2 3.83Å
15V95.5Very high86.4Confident29 Ų2956.2 Ų56.218%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-117.3136.6-179.5-169.60000108.8A17 A20 Q52 I53 Y56 L59V15-A17 PolarHBondContact O-N 2.67Å; V15-A20 HydrophobicContact CG1-CB 3.83Å; V15-Q52 CarbonylContact O-C 3.55Å; V15-Q52 WeakPolarHBondContact O-CA 3.31Å; V15-I53 PolarHBondContact N-O 2.87Å; V15-I53 PolarHBondContact O-N 3.15Å; V15-Y56 WeakPolarHBondContact CG2-O 3.45Å; V15-L59 HydrophobicContact CB-CB 4.39Å; V15-L59 HydrophobicContact CG1-CB 4.44Å; V15-L59 HydrophobicContact CG2-CB 3.99Å
16N96.8Very high88.4Confident60 Ų6050.9 Ų50.932%0.32125%0.251SS..EExtended strand (participates in β ladder)trans-63.9125.7170.5-179.4-73.3000109.1C18 D19 A20N16-C18 VanDerWaalsContact C-N 3.3Å; N16-C18 PolarHBondContact O-N 3.15Å; N16-C18 WeakPolarHBondContact OD1-CA 3.48Å; N16-C18 VanDerWaalsContact OD1-CB 3.26Å; N16-C18 WeakPolarHBondContact OD1-CB 3.48Å; N16-C18 PolarHBondContact OD1-N 3.43Å; N16-D19 HydrophobicContact CB-CB 4.27Å; N16-D19 PolarHBondContact O-N 3.25Å; N16-D19 PolarHBondContact OD1-N 3.38Å; N16-D19 VanDerWaalsContact OD1-N 3.17Å; N16-A20 WeakPolarHBondContact O-CB 3.4Å; N16-A20 PolarHBondContact O-N 2.91Å
17A97.3Very high89.8Confident0 Ų051.7 Ų51.70%025%0.248CC..Hα-helixtrans-64.6-34.6-175.400000112V15 D19 A20 I21 T43 F47 E51 I53V15-A17 PolarHBondContact O-N 2.67Å; A17-D19 VanDerWaalsContact C-N 3.34Å; A17-D19 PolarHBondContact O-N 2.93Å; A17-A20 PolarHBondContact O-N 3.05Å; A17-I21 WeakPolarHBondContact O-CB 3.28Å; A17-I21 WeakPolarHBondContact O-CD1 3.26Å; A17-I21 VanDerWaalsContact O-CG1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3.45Å; A17-I21 PolarHBondContact O-N 2.97Å; A17-T43 HydrophobicContact CB-CG2 3.94Å; A17-T43 WeakPolarHBondContact CB-OG1 3.31Å; A17-F47 HydrophobicContact CB-CB 4.27Å; A17-F47 HydrophobicContact CB-CD2 3.79Å; A17-F47 HydrophobicContact CB-CE2 4.35Å; A17-F47 HydrophobicContact CB-CG 4.06Å; A17-E51 WeakPolarHBondContact CB-O 3.48Å; A17-E51 PolarHBondContact N-O 3.41Å; A17-I53 HydrophobicContact CB-CD1 4.01Å; A17-I53 HydrophobicContact CB-CG1 3.82Å
18C96.8Very high91Very high17 Ų1751.8 Ų51.812%0.11525%0.246CC..Hα-helixtrans-67.4-34.7177.7-61.40000112.7N16 N39 P40 T43N16-C18 VanDerWaalsContact C-N 3.3Å; N16-C18 PolarHBondContact O-N 3.15Å; N16-C18 WeakPolarHBondContact OD1-CA 3.48Å; N16-C18 VanDerWaalsContact OD1-CB 3.26Å; N16-C18 WeakPolarHBondContact OD1-CB 3.48Å; N16-C18 PolarHBondContact OD1-N 3.43Å; C18-N39 PolarHBondContact O-ND2 3.32Å; C18-P40 HydrophobicContact CB-CG 4.16Å; C18-T43 PolarHBondContact SG-OG1 2.92Å
19D96.7Very high92.1Very high117 Ų11746.1 Ų46.163%0.62623%0.226SC*.Hα-helixtrans-76.4-37176-66.3-29.5000112.2N16 A17N16-D19 HydrophobicContact CB-CB 4.27Å; N16-D19 PolarHBondContact O-N 3.25Å; N16-D19 PolarHBondContact OD1-N 3.38Å; N16-D19 VanDerWaalsContact OD1-N 3.17Å; A17-D19 VanDerWaalsContact C-N 3.34Å; A17-D19 PolarHBondContact O-N 2.93Å
20A97.2Very high92.6Very high3 Ų351.6 Ų51.63%0.02525%0.249CC..Hα-helixtrans-71.5-34.9-178.400000113.3V15 N16 A17 I53 L59 V61V15-A20 HydrophobicContact CG1-CB 3.83Å; N16-A20 WeakPolarHBondContact O-CB 3.4Å; N16-A20 PolarHBondContact O-N 2.91Å; A17-A20 PolarHBondContact O-N 3.05Å; A20-I53 HydrophobicContact CB-CD1 4.48Å; A20-L59 HydrophobicContact CB-CD2 4.22Å; A20-L59 HydrophobicContact CB-CG 4.27Å; A20-V61 PolarHBondContact O-N 3.2Å
21I97.6Very high92.5Very high0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-88127.7-174.8-63.3167.5000110.6A17 F23 N39 P40 T43 F47 V61 I63 F173A17-I21 WeakPolarHBondContact O-CB 3.28Å; A17-I21 WeakPolarHBondContact O-CD1 3.26Å; A17-I21 VanDerWaalsContact O-CG1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3.45Å; A17-I21 PolarHBondContact O-N 2.97Å; I21-F23 HydrophobicContact CG2-CD2 4.49Å; I21-F23 HydrophobicContact CG2-CE2 3.95Å; I21-F23 HydrophobicContact CG2-CZ 4.07Å; I21-N39 PolarHBondContact O-ND2 2.89Å; I21-N39 VanDerWaalsContact O-ND2 3.15Å; I21-P40 HydrophobicContact CB-CG 4.11Å; I21-P40 HydrophobicContact CG2-CG 4.29Å; I21-P40 VanDerWaalsContact O-CD 3.29Å; I21-P40 WeakPolarHBondContact O-CD 3.35Å; I21-T43 HydrophobicContact CD1-CG2 4.09Å; I21-F47 HydrophobicContact CD1-CD2 4.37Å; I21-F47 HydrophobicContact CD1-CE2 3.48Å; I21-F47 VanDerWaalsContact CD1-CE2 3.48Å; I21-F47 HydrophobicContact CD1-CZ 4.04Å; I21-V61 WeakPolarHBondContact CA-O 3.47Å; I21-V61 HydrophobicContact CG1-CB 3.96Å; I21-V61 HydrophobicContact CG1-CG1 4.26Å; I21-I63 HydrophobicContact CG2-CD1 3.78Å; I21-I63 HydrophobicContact CG2-CG1 4.27Å; I21-F173 HydrophobicContact CD1-CE1 4.08Å
22Q97.1Very high92.5Very high65 Ų6548.6 Ų48.630%0.30424%0.237SC..EExtended strand (participates in β ladder)trans-129.5120.9178-65-174.4-18.800110.7T37 V61 G62 I63Q22-T37 HydrophobicContact CB-CG2 4.42Å; Q22-V61 PolarHBondContact N-O 3.2Å; Q22-G62 CarbonylContact O-C 3.55Å; Q22-G62 WeakPolarHBondContact O-CA 3.34Å; Q22-I63 PolarHBondContact O-N 3Å
23F97.4Very high92.3Very high0 Ų051 Ų510%025%0.25CC..EExtended strand (participates in β ladder)trans-86.5142.5173.8-66.4-77.9000111.6I21 T37 F38 P40 I63 Y65 F170 F173 F174I21-F23 HydrophobicContact CG2-CD2 4.49Å; I21-F23 HydrophobicContact CG2-CE2 3.95Å; I21-F23 HydrophobicContact CG2-CZ 4.07Å; F23-T37 VanDerWaalsContact O-CA 3.23Å; F23-T37 WeakPolarHBondContact O-CA 3.44Å; F23-F38 HydrophobicContact CB-CD1 4.03Å; F23-F38 HydrophobicContact CB-CD2 3.69Å; F23-F38 HydrophobicContact CB-CE1 3.68Å; F23-F38 HydrophobicContact CB-CE2 3.33Å; F23-F38 HydrophobicContact CB-CG 4.04Å; F23-F38 HydrophobicContact CB-CZ 3.33Å; F23-F38 WeakPolarHBondContact CB-O 3.29Å; F23-F38 HydrophobicContact CD2-CD2 4.03Å; F23-F38 AromaticContact CD2-CE2 3.9Å; F23-F38 HydrophobicContact CD2-CE2 3.9Å; F23-F38 HydrophobicContact CG-CD2 4.17Å; F23-F38 AromaticContact CG-CE2 3.72Å; F23-F38 HydrophobicContact CG-CE2 3.72Å; F23-F38 HydrophobicContact CG-CZ 4.09Å; F23-F38 PolarHBondContact N-O 3.26Å; F23-F38 PolarHBondContact O-N 3.4Å; F23-P40 HydrophobicContact CE2-CB 3.99Å; F23-P40 HydrophobicContact CE2-CG 4.39Å; F23-I63 CarbonylContact C-O 3.59Å; F23-I63 VanDerWaalsContact CA-O 3.31Å; F23-I63 WeakPolarHBondContact CA-O 3.49Å; F23-I63 HydrophobicContact CD1-CB 3.81Å; F23-I63 HydrophobicContact CD1-CD1 4.48Å; F23-I63 HydrophobicContact CD1-CG2 4.08Å; F23-I63 HydrophobicContact CE1-CB 3.9Å; F23-I63 HydrophobicContact CE1-CD1 3.77Å; F23-I63 HydrophobicContact CE1-CG1 4.35Å; F23-I63 HydrophobicContact CE1-CG2 3.99Å; F23-I63 HydrophobicContact CZ-CD1 4.08Å; F23-Y65 HydrophobicContact CD1-CD2 4.43Å; F23-Y65 AromaticContact CD1-CE2 3.75Å; F23-Y65 HydrophobicContact CD1-CE2 3.75Å; F23-Y65 HydrophobicContact CE1-CE2 4.03Å; F23-F170 HydrophobicContact CD1-CD1 4.47Å; F23-F170 HydrophobicContact CD1-CE1 4.08Å; F23-F170 HydrophobicContact CE1-CD1 4.38Å; F23-F170 HydrophobicContact CE1-CE1 4.36Å; F23-F173 HydrophobicContact CE1-CD2 4.17Å; F23-F173 HydrophobicContact CE1-CE2 4.23Å; F23-F173 HydrophobicContact CE2-CB 4.15Å; F23-F173 HydrophobicContact CE2-CD1 4.19Å; F23-F173 HydrophobicContact CE2-CD2 4.38Å; F23-F173 HydrophobicContact CE2-CG 4Å; F23-F173 HydrophobicContact CZ-CB 4.04Å; F23-F173 AromaticContact CZ-CD1 3.83Å; F23-F173 HydrophobicContact CZ-CD1 3.83Å; F23-F173 AromaticContact CZ-CD2 3.47Å; F23-F173 HydrophobicContact CZ-CD2 3.47Å; F23-F173 VanDerWaalsContact CZ-CD2 3.47Å; F23-F173 HydrophobicContact CZ-CE1 4.04Å; F23-F173 AromaticContact CZ-CE2 3.73Å; F23-F173 HydrophobicContact CZ-CE2 3.73Å; F23-F173 AromaticContact CZ-CG 3.51Å; F23-F173 HydrophobicContact CZ-CG 3.51Å; F23-F173 AromaticContact CZ-CZ 4Å; F23-F173 HydrophobicContact CZ-CZ 4Å; F23-F174 HydrophobicContact CD2-CE2 4.33Å; F23-F174 AromaticContact CD2-CZ 3.84Å; F23-F174 HydrophobicContact CD2-CZ 3.84Å; F23-F174 HydrophobicContact CE2-CE2 4.17Å; F23-F174 AromaticContact CE2-CZ 3.88Å; F23-F174 HydrophobicContact CE2-CZ 3.88Å
24K95.6Very high92Very high27 Ų2754.3 Ų54.312%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-129.9131.5170.6-75.3-177.5162.9-165.80111.1I32 D33 T37 I63 F64 Y65K24-I32 PolarHBondContact NZ-O 3.33Å; K24-I32 VanDerWaalsContact NZ-O 3.09Å; K24-D33 PolarHBondContact NZ-O 3.03Å; K24-T37 HydrophobicContact CD-CG2 4.01Å; K24-T37 HydrophobicContact CG-CG2 3.57Å; K24-I63 PolarHBondContact N-O 3.37Å; K24-F64 HydrophobicContact CB-CD1 3.96Å; K24-F64 HydrophobicContact CB-CE1 4.37Å; K24-F64 HydrophobicContact CB-CG 4.27Å; K24-F64 HydrophobicContact CD-CD1 3.79Å; K24-F64 HydrophobicContact CD-CE1 3.31Å; K24-F64 HydrophobicContact CD-CE2 4.43Å; K24-F64 HydrophobicContact CD-CZ 3.67Å; K24-F64 HydrophobicContact CG-CD1 4.47Å; K24-F64 HydrophobicContact CG-CE1 4.39Å; K24-Y65 PolarHBondContact O-N 3.01Å
25L94.1Very high91.5Very high16 Ų1649 Ų498%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-101.499.7169.4-67.2169.9000109.2R27 F38 L70 F170 L235 F238L25-R27 PolarHBondContact O-N 3.38Å; L25-F38 HydrophobicContact CD1-CE1 4.06Å; L25-F38 HydrophobicContact CD1-CZ 4.33Å; L25-F38 HydrophobicContact CG-CE1 3.95Å; L25-F38 HydrophobicContact CG-CZ 4.24Å; L25-L70 HydrophobicContact CD2-CD2 4.41Å; L25-F170 HydrophobicContact CD2-CZ 4.47Å; L25-L235 HydrophobicContact CD1-CD1 3.62Å; L25-L235 HydrophobicContact CD2-CD1 3.97Å; L25-L235 HydrophobicContact CG-CD1 4.34Å; L25-F238 HydrophobicContact CD1-CE2 3.52Å; L25-F238 HydrophobicContact CD1-CZ 3.85Å
26V92.3Very high91.3Very high1 Ų154.2 Ų54.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-81.3107.8-176.3-1730000109.2D28 I32 F64 Y65 A67 F114 F118V26-D28 WeakPolarHBondContact CG1-O 3.34Å; V26-I32 HydrophobicContact CG1-CB 4.26Å; V26-I32 HydrophobicContact CG1-CD1 4.32Å; V26-I32 HydrophobicContact CG1-CG1 4.18Å; V26-I32 HydrophobicContact CG2-CD1 4.19Å; V26-I32 HydrophobicContact CG2-CG1 3.95Å; V26-F64 HydrophobicContact CG2-CB 4.46Å; V26-F64 HydrophobicContact CG2-CD1 3.96Å; V26-Y65 PolarHBondContact N-O 3.39Å; V26-A67 WeakPolarHBondContact O-CB 3.5Å; V26-A67 PolarHBondContact O-N 3.23Å; V26-F114 HydrophobicContact CB-CE1 4.44Å; V26-F114 HydrophobicContact CB-CZ 4.44Å; V26-F114 HydrophobicContact CG2-CE1 4.1Å; V26-F114 HydrophobicContact CG2-CZ 4.16Å; V26-F118 HydrophobicContact CG1-CD2 4.48Å; V26-F118 HydrophobicContact CG1-CE2 4.01Å
27R89.5Confident91.2Very high91 Ų9154.3 Ų54.334%0.34329%0.291SS..SBendtrans-90-29.6177.4-63.6178-178.5-142.5-12.6113.1L25 A67 E195L25-R27 PolarHBondContact O-N 3.38Å; R27-A67 HydrophobicContact CB-CB 4.4Å; R27-A67 HydrophobicContact CG-CB 3.78Å; R27-E195 IonicContact CZ-OE2 2.78Å; R27-E195 IonicContact NH1-OE1 2.97Å; R27-E195 PolarHBondContact NH1-OE1 2.95Å; R27-E195 IonicContact NH1-OE2 2.67Å; R27-E195 PolarHBondContact NH1-OE2 3.13Å; R27-E195 IonicContact NH2-OE2 3.42Å; R27-E195 PolarHBondContact NH2-OE2 3.22Å
28D85.9Confident91.2Very high84 Ų8455 Ų5545%0.44929%0.294SS..  trans-141.6140.1-175.5-159.810.8000109.3V26 E30 A31V26-D28 WeakPolarHBondContact CG1-O 3.34Å; D28-E30 VanDerWaalsContact C-N 3.34Å; D28-A31 HydrophobicContact CB-CB 4.19Å; D28-A31 PolarHBondContact O-N 3.23Å
29K85Confident91.2Very high66 Ų6657.3 Ų57.329%0.28731%0.305SS..SBendtrans-67.2-40.3-173.2163.3171.8-177.6175.40111A31 I32 L115 F118 D119K29-A31 PolarHBondContact O-N 3.03Å; K29-I32 WeakPolarHBondContact O-CG2 3.21Å; K29-I32 PolarHBondContact O-N 3.24Å; K29-L115 HydrophobicContact CG-CD2 4.01Å; K29-F118 HydrophobicContact CB-CD1 4.29Å; K29-F118 HydrophobicContact CB-CE1 4.14Å; K29-D119 IonicContact NZ-OD1 3.69Å; K29-D119 IonicContact NZ-OD2 3.56Å; K29-D119 PolarHBondContact NZ-OD2 2.99Å
30E83.6Confident91.2Very high149 Ų14952.2 Ų52.270%0.69628%0.278SS*.THydrogen-bonded Turntrans-71-20.8-178.1-65.973.4-164.100112.2D28D28-E30 VanDerWaalsContact C-N 3.34Å
31A82.8Confident91.2Very high34 Ų3456.4 Ų56.428%0.28130%0.298SS..THydrogen-bonded Turntrans-103.716.6-177.700000113.4D28 K29 D33 S34 A35D28-A31 HydrophobicContact CB-CB 4.19Å; D28-A31 PolarHBondContact O-N 3.23Å; K29-A31 PolarHBondContact O-N 3.03Å; A31-D33 VanDerWaalsContact C-N 3.31Å; A31-D33 PolarHBondContact O-N 2.96Å; A31-S34 CarbonylContact O-C 3.59Å; A31-S34 PolarHBondContact O-N 3.33Å; A31-S34 PolarHBondContact O-OG 3.16Å; A31-A35 WeakPolarHBondContact O-CB 3.15Å; A31-A35 PolarHBondContact O-N 3.47Å
32I86.5Confident91.1Very high14 Ų1459.2 Ų59.27%0.07231%0.31CS..THydrogen-bonded Turntrans-61.8-37.3-176.3-168.1161.5000113.4K24 V26 K29 F64 M111 F114 L115K24-I32 PolarHBondContact NZ-O 3.33Å; K24-I32 VanDerWaalsContact NZ-O 3.09Å; V26-I32 HydrophobicContact CG1-CB 4.26Å; V26-I32 HydrophobicContact CG1-CD1 4.32Å; V26-I32 HydrophobicContact CG1-CG1 4.18Å; V26-I32 HydrophobicContact CG2-CD1 4.19Å; V26-I32 HydrophobicContact CG2-CG1 3.95Å; K29-I32 WeakPolarHBondContact O-CG2 3.21Å; K29-I32 PolarHBondContact O-N 3.24Å; I32-F64 HydrophobicContact CD1-CD1 4.11Å; I32-F64 HydrophobicContact CD1-CE1 4.28Å; I32-F64 HydrophobicContact CG1-CD1 3.99Å; I32-F64 HydrophobicContact CG1-CE1 3.88Å; I32-M111 HydrophobicContact CD1-CE 3.71Å; I32-M111 HydrophobicContact CD1-SD 3.41Å; I32-M111 WeakPolarHBondContact CD1-SD 3.37Å; I32-M111 HydrophobicContact CG1-CE 4.44Å; I32-F114 HydrophobicContact CD1-CD1 4.12Å; I32-F114 HydrophobicContact CD1-CE1 3.87Å; I32-L115 HydrophobicContact CD1-CD2 4.21Å
33D84.4Confident91Very high140 Ų14056.1 Ų56.175%0.74930%0.295SS*.THydrogen-bonded Turntrans-76.1-34.8-179.4-67.6-31.4000111.7K24 A31K24-D33 PolarHBondContact NZ-O 3.03Å; A31-D33 VanDerWaalsContact C-N 3.31Å; A31-D33 PolarHBondContact O-N 2.96Å
34S85.3Confident90.9Very high95 Ų9557.7 Ų57.766%0.66430%0.303SS*.THydrogen-bonded Turntrans-90-2.5179.458.40000114.2A31 D36A31-S34 CarbonylContact O-C 3.59Å; A31-S34 PolarHBondContact O-N 3.33Å; A31-S34 PolarHBondContact O-OG 3.16Å; S34-D36 PolarHBondContact O-N 2.82Å
35A84.7Confident90.7Very high21 Ų2160.1 Ų60.117%0.17431%0.314CS..PPolyproline II helixtrans-61.6132.7178.900000111.3A31 T37A31-A35 WeakPolarHBondContact O-CB 3.15Å; A31-A35 PolarHBondContact O-N 3.47Å; A35-T37 PolarHBondContact O-N 3.01Å
36D90.3Very high90.7Very high139 Ų13960.2 Ų60.274%0.74332%0.315SS*.PPolyproline II helixtrans-55.6138.1175.1-65.9-39000110.7S34S34-D36 PolarHBondContact O-N 2.82Å
37T95.4Very high90.8Very high62 Ų6261 Ų6138%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-103.9156.717655.30000110.8Q22 F23 K24 A35Q22-T37 HydrophobicContact CB-CG2 4.42Å; F23-T37 VanDerWaalsContact O-CA 3.23Å; F23-T37 WeakPolarHBondContact O-CA 3.44Å; K24-T37 HydrophobicContact CD-CG2 4.01Å; K24-T37 HydrophobicContact CG-CG2 3.57Å; A35-T37 PolarHBondContact O-N 3.01Å
38F96.9Very high91Very high15 Ų1558.3 Ų58.37%0.06632%0.319CS..EExtended strand (participates in β ladder)trans-144.5149.5168.456.7-83.1000110.4F23 L25 F174 P236 P237F23-F38 HydrophobicContact CB-CD1 4.03Å; F23-F38 HydrophobicContact CB-CD2 3.69Å; F23-F38 HydrophobicContact CB-CE1 3.68Å; F23-F38 HydrophobicContact CB-CE2 3.33Å; F23-F38 HydrophobicContact CB-CG 4.04Å; F23-F38 HydrophobicContact CB-CZ 3.33Å; F23-F38 WeakPolarHBondContact CB-O 3.29Å; F23-F38 HydrophobicContact CD2-CD2 4.03Å; F23-F38 AromaticContact CD2-CE2 3.9Å; F23-F38 HydrophobicContact CD2-CE2 3.9Å; F23-F38 HydrophobicContact CG-CD2 4.17Å; F23-F38 AromaticContact CG-CE2 3.72Å; F23-F38 HydrophobicContact CG-CE2 3.72Å; F23-F38 HydrophobicContact CG-CZ 4.09Å; F23-F38 PolarHBondContact N-O 3.26Å; F23-F38 PolarHBondContact O-N 3.4Å; L25-F38 HydrophobicContact CD1-CE1 4.06Å; L25-F38 HydrophobicContact CD1-CZ 4.33Å; L25-F38 HydrophobicContact CG-CE1 3.95Å; L25-F38 HydrophobicContact CG-CZ 4.24Å; F38-F174 HydrophobicContact CD2-CE1 4.3Å; F38-F174 AromaticContact CD2-CZ 3.68Å; F38-F174 HydrophobicContact CD2-CZ 3.68Å; F38-F174 AromaticContact CE2-CE2 3.99Å; F38-F174 HydrophobicContact CE2-CE2 3.99Å; F38-F174 AromaticContact CE2-CZ 3.56Å; F38-F174 HydrophobicContact CE2-CZ 3.56Å; F38-P236 HydrophobicContact CB-CB 4.14Å; F38-P236 HydrophobicContact CB-CG 4.48Å; F38-P236 HydrophobicContact CD2-CB 4.08Å; F38-P236 HydrophobicContact CD2-CG 3.59Å; F38-P236 HydrophobicContact CE2-CG 4.13Å; F38-P236 HydrophobicContact CG-CB 4.27Å; F38-P236 HydrophobicContact CG-CG 4.28Å; F38-P237 HydrophobicContact CB-CG 4.32Å; F38-P237 HydrophobicContact CD1-CG 3.41Å; F38-P237 VanDerWaalsContact CD1-CG 3.41Å; F38-P237 HydrophobicContact CE1-CG 3.84Å; F38-P237 HydrophobicContact CG-CG 3.96Å
39N97.3Very high91.4Very high65 Ų6562.5 Ų62.535%0.34834%0.336SS..  trans-94.6155.5-177.7-65.680.1000110.9C18 I21 F174C18-N39 PolarHBondContact O-ND2 3.32Å; I21-N39 PolarHBondContact O-ND2 2.89Å; I21-N39 VanDerWaalsContact O-ND2 3.15Å; N39-F174 WeakPolarHBondContact O-CE1 3.44Å
40P97.3Very high91.8Very high9 Ų963.1 Ų63.16%0.05835%0.348CS..  trans-63.9159.8166.131.6-37.7000111.5C18 I21 F23 T43 F173C18-P40 HydrophobicContact CB-CG 4.16Å; I21-P40 HydrophobicContact CB-CG 4.11Å; I21-P40 HydrophobicContact CG2-CG 4.29Å; I21-P40 VanDerWaalsContact O-CD 3.29Å; I21-P40 WeakPolarHBondContact O-CD 3.35Å; F23-P40 HydrophobicContact CE2-CB 3.99Å; F23-P40 HydrophobicContact CE2-CG 4.39Å; P40-T43 HydrophobicContact CB-CG2 4.05Å; P40-T43 HydrophobicContact CG-CG2 3.72Å; P40-F173 HydrophobicContact CB-CB 3.83Å; P40-F173 HydrophobicContact CB-CD1 3.67Å; P40-F173 HydrophobicContact CB-CG 4.16Å; P40-F173 HydrophobicContact CG-CD1 4.38Å
41E95.8Very high92.3Very high92 Ų9258 Ų5843%0.4333%0.325SS..SBendtrans-97.9-28.5170.6-66.8179.914700111.8F173 F174 R239E41-F173 PolarHBondContact N-O 2.94Å; E41-F174 HydrophobicContact CB-CD1 4.49Å; E41-F174 HydrophobicContact CG-CD1 4.13Å; E41-R239 IonicContact OE1-CZ 3.33Å; E41-R239 IonicContact OE1-NH1 2.72Å; E41-R239 PolarHBondContact OE1-NH1 3.14Å; E41-R239 IonicContact OE1-NH2 3.48Å; E41-R239 IonicContact OE2-CZ 3.66Å; E41-R239 IonicContact OE2-NH1 3.57Å; E41-R239 PolarHBondContact OE2-NH1 3.14Å; E41-R239 IonicContact OE2-NH2 3.85Å; E41-R239 PolarHBondContact OE2-NH2 3.34Å
42F95.9Very high93Very high58 Ų5860.3 Ų60.325%0.25433%0.329SS..  trans-134141.7-179.9-53.3-73.9000109.6H44 F173 D176F42-H44 AromaticContact CD1-CE1 3.93Å; F42-F173 PolarHBondContact N-O 2.93Å; F42-F173 WeakPolarHBondContact O-CA 3.42Å; F42-D176 HydrophobicContact CD1-CB 4.28Å; F42-D176 HydrophobicContact CD2-CB 4.31Å; F42-D176 HydrophobicContact CE1-CB 3.92Å; F42-D176 HydrophobicContact CE2-CB 3.97Å; F42-D176 HydrophobicContact CG-CB 4.47Å; F42-D176 HydrophobicContact CZ-CB 3.76Å
43T96.2Very high93.5Very high0 Ų059.6 Ų59.60%033%0.326CS..  trans-138.8-2.1172.853.40000112.1A17 C18 I21 P40 Q45 I46 F47 E51 F173A17-T43 HydrophobicContact CB-CG2 3.94Å; A17-T43 WeakPolarHBondContact CB-OG1 3.31Å; C18-T43 PolarHBondContact SG-OG1 2.92Å; I21-T43 HydrophobicContact CD1-CG2 4.09Å; P40-T43 HydrophobicContact CB-CG2 4.05Å; P40-T43 HydrophobicContact CG-CG2 3.72Å; T43-Q45 VanDerWaalsContact C-N 3.3Å; T43-Q45 PolarHBondContact O-N 3.28Å; T43-I46 WeakPolarHBondContact O-CA 3.37Å; T43-I46 WeakPolarHBondContact O-CB 3.46Å; T43-I46 PolarHBondContact O-N 2.86Å; T43-F47 HydrophobicContact CG2-CD2 4.47Å; T43-F47 PolarHBondContact O-N 2.82Å; T43-E51 PolarHBondContact N-OE1 2.97Å; T43-E51 WeakPolarHBondContact OG1-CB 3.4Å; T43-E51 WeakPolarHBondContact OG1-CG 3.5Å; T43-E51 PolarHBondContact OG1-OE1 2.69Å; T43-F173 HydrophobicContact CG2-CD1 4.3Å
44H94.4Very high94Very high33 Ų3354.3 Ų54.315%0.15330%0.296CS..Hα-helixtrans-61.6-33.3-175.763.4-87.4000113.9F42 I46 G48 E51 D176F42-H44 AromaticContact CD1-CE1 3.93Å; H44-I46 PolarHBondContact O-N 3.42Å; H44-G48 VanDerWaalsContact CA-O 3.27Å; H44-G48 WeakPolarHBondContact CA-O 3.44Å; H44-G48 CarbonylContact O-C 3.48Å; H44-G48 VanDerWaalsContact O-C 3.26Å; H44-G48 WeakPolarHBondContact O-CA 3.48Å; H44-G48 PolarHBondContact O-N 3.43Å; H44-E51 HydrophobicContact CB-CG 3.72Å; H44-E51 IonicContact CG-OE1 2.96Å; H44-E51 PolarHBondContact N-OE1 2.85Å; H44-E51 IonicContact ND1-OE1 3.74Å; H44-E51 PolarHBondContact ND1-OE1 3.28Å; H44-D176 IonicContact CE1-OD1 3.6Å; H44-D176 PolarHBondContact CE1-OD1 2.93Å; H44-D176 IonicContact NE2-OD1 3.47Å; H44-D176 PolarHBondContact NE2-OD1 2.92Å
45Q92.2Very high94.5Very high78 Ų7849.8 Ų49.836%0.36427%0.265SS..Hα-helixtrans-69.5-12.7174.8-59-172.3-66.400113.2T43 L172 A178T43-Q45 VanDerWaalsContact C-N 3.3Å; T43-Q45 PolarHBondContact O-N 3.28Å; Q45-L172 VanDerWaalsContact OE1-CD2 3.26Å; Q45-A178 PolarHBondContact NE2-O 3.44Å
46I94Very high95Very high19 Ų1949.3 Ų49.310%0.09726%0.258CS..Hα-helixtrans-112.1-47.6-173.8-53.8172.8000110.8T43 H44 I98 L99 I102 L172 F173T43-I46 WeakPolarHBondContact O-CA 3.37Å; T43-I46 WeakPolarHBondContact O-CB 3.46Å; T43-I46 PolarHBondContact O-N 2.86Å; H44-I46 PolarHBondContact O-N 3.42Å; I46-I98 HydrophobicContact CG2-CG2 3.65Å; I46-I98 VanDerWaalsContact O-CG2 3.3Å; I46-I98 WeakPolarHBondContact O-CG2 3.45Å; I46-L99 HydrophobicContact CG2-CD2 4.18Å; I46-I102 HydrophobicContact CD1-CG1 4.29Å; I46-I102 HydrophobicContact CG1-CD1 4.3Å; I46-I102 HydrophobicContact CG1-CG1 4.16Å; I46-I102 HydrophobicContact CG2-CG1 4.25Å; I46-L172 HydrophobicContact CD1-CB 4.02Å; I46-L172 HydrophobicContact CG1-CB 4.26Å; I46-L172 HydrophobicContact CG1-CD1 4.48Å; I46-F173 HydrophobicContact CD1-CD1 3.68Å; I46-F173 HydrophobicContact CD1-CD2 4.34Å; I46-F173 HydrophobicContact CD1-CE1 3.22Å; I46-F173 HydrophobicContact CD1-CE2 3.93Å; I46-F173 HydrophobicContact CD1-CG 4.24Å; I46-F173 HydrophobicContact CD1-CZ 3.36Å
47F94.6Very high95.2Very high18 Ų1846 Ų468%0.07924%0.235CC..Hα-helixtrans-11114.6-176.3-61.2-82.3000113.1A17 I21 T43 I53 I98 L99A17-F47 HydrophobicContact CB-CB 4.27Å; A17-F47 HydrophobicContact CB-CD2 3.79Å; A17-F47 HydrophobicContact CB-CE2 4.35Å; A17-F47 HydrophobicContact CB-CG 4.06Å; I21-F47 HydrophobicContact CD1-CD2 4.37Å; I21-F47 HydrophobicContact CD1-CE2 3.48Å; I21-F47 VanDerWaalsContact CD1-CE2 3.48Å; I21-F47 HydrophobicContact CD1-CZ 4.04Å; T43-F47 HydrophobicContact CG2-CD2 4.47Å; T43-F47 PolarHBondContact O-N 2.82Å; F47-I53 HydrophobicContact CD1-CD1 4.04Å; F47-I53 HydrophobicContact CD1-CG1 3.66Å; F47-I53 HydrophobicContact CE1-CD1 3.67Å; F47-I53 HydrophobicContact CE1-CG1 3.81Å; F47-I53 HydrophobicContact CE2-CD1 4.37Å; F47-I53 HydrophobicContact CG-CG1 4.11Å; F47-I53 HydrophobicContact CZ-CD1 3.84Å; F47-I53 HydrophobicContact CZ-CG1 4.39Å; F47-I98 HydrophobicContact CD1-CD1 4.22Å; F47-I98 HydrophobicContact CD1-CG2 4.23Å; F47-I98 HydrophobicContact CE1-CD1 4.22Å; F47-I98 HydrophobicContact CE1-CG2 3.98Å; F47-I98 HydrophobicContact CZ-CG2 4.38Å; F47-L99 HydrophobicContact CE2-CD2 4.42Å; F47-L99 HydrophobicContact CZ-CD2 4.1Å
48G93.1Very high95.2Very high34 Ų3448.6 Ų48.635%0.35125%0.247SC..THydrogen-bonded Turntrans78.4169.7179.600000113.9H44 S50 E51H44-G48 VanDerWaalsContact CA-O 3.27Å; H44-G48 WeakPolarHBondContact CA-O 3.44Å; H44-G48 CarbonylContact O-C 3.48Å; H44-G48 VanDerWaalsContact O-C 3.26Å; H44-G48 WeakPolarHBondContact O-CA 3.48Å; H44-G48 PolarHBondContact O-N 3.43Å; G48-S50 PolarHBondContact O-N 3.33Å; G48-E51 PolarHBondContact O-N 3.1Å
49E93.6Very high95.2Very high172 Ų17248.2 Ų48.280%0.80425%0.246SC*.THydrogen-bonded Turntrans-52.4-26.2-172.8-61.5-61.5137.500115.4E51E49-E51 VanDerWaalsContact C-N 3.35Å
50S93.6Very high95.1Very high79 Ų7951 Ų5155%0.55225%0.254SS*.THydrogen-bonded Turntrans-79.6-14.4178.153.40000114.3G48 Q52G48-S50 PolarHBondContact O-N 3.33Å; S50-Q52 WeakPolarHBondContact O-CG 3.28Å; S50-Q52 PolarHBondContact O-N 2.87Å
51E95.1Very high95.1Very high42 Ų4250.6 Ų50.620%0.19625%0.252CS..THydrogen-bonded Turntrans53.340.8-177.2-60.8-165.1135.700112.5A17 T43 H44 G48 E49A17-E51 WeakPolarHBondContact CB-O 3.48Å; A17-E51 PolarHBondContact N-O 3.41Å; T43-E51 PolarHBondContact N-OE1 2.97Å; T43-E51 WeakPolarHBondContact OG1-CB 3.4Å; T43-E51 WeakPolarHBondContact OG1-CG 3.5Å; T43-E51 PolarHBondContact OG1-OE1 2.69Å; H44-E51 HydrophobicContact CB-CG 3.72Å; H44-E51 IonicContact CG-OE1 2.96Å; H44-E51 PolarHBondContact N-OE1 2.85Å; H44-E51 IonicContact ND1-OE1 3.74Å; H44-E51 PolarHBondContact ND1-OE1 3.28Å; G48-E51 PolarHBondContact O-N 3.1Å; E49-E51 VanDerWaalsContact C-N 3.35Å
52Q96.1Very high95.1Very high81 Ų8146.8 Ų46.838%0.37924%0.237SC..EExtended strand (participates in β ladder)trans-122.5139.8-175.7-78.3-178.9-2.100110.7V15 S50V15-Q52 CarbonylContact O-C 3.55Å; V15-Q52 WeakPolarHBondContact O-CA 3.31Å; S50-Q52 WeakPolarHBondContact O-CG 3.28Å; S50-Q52 PolarHBondContact O-N 2.87Å
53I96.7Very high95.1Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-106.5123.8170.1-50.3-179.6000107.6V15 A17 A20 F47 Y56 L59 D93 I95V15-I53 PolarHBondContact N-O 2.87Å; V15-I53 PolarHBondContact O-N 3.15Å; A17-I53 HydrophobicContact CB-CD1 4.01Å; A17-I53 HydrophobicContact CB-CG1 3.82Å; A20-I53 HydrophobicContact CB-CD1 4.48Å; F47-I53 HydrophobicContact CD1-CD1 4.04Å; F47-I53 HydrophobicContact CD1-CG1 3.66Å; F47-I53 HydrophobicContact CE1-CD1 3.67Å; F47-I53 HydrophobicContact CE1-CG1 3.81Å; F47-I53 HydrophobicContact CE2-CD1 4.37Å; F47-I53 HydrophobicContact CG-CG1 4.11Å; F47-I53 HydrophobicContact CZ-CD1 3.84Å; F47-I53 HydrophobicContact CZ-CG1 4.39Å; I53-Y56 HydrophobicContact CG2-CD2 4.03Å; I53-Y56 HydrophobicContact CG2-CE2 4.29Å; I53-L59 HydrophobicContact CB-CD2 3.86Å; I53-L59 HydrophobicContact CD1-CD2 3.75Å; I53-L59 HydrophobicContact CG1-CD2 4.37Å; I53-L59 HydrophobicContact CG2-CD2 3.64Å; I53-D93 HydrophobicContact CG2-CB 4.14Å; I53-I95 HydrophobicContact CG2-CD1 3.98Å; I53-I95 HydrophobicContact CG2-CG1 3.88Å
54F95.7Very high95.1Very high29 Ų2944.9 Ų44.913%0.12723%0.229CC..EExtended strand (participates in β ladder)trans-98.6139.5-179.6178.5-106.8000112.5Y13 R14 V82 V90 D93Y13-F54 CarbonylContact O-C 3.59Å; Y13-F54 WeakPolarHBondContact O-CA 3.47Å; R14-F54 HydrophobicContact CG-CD2 3.83Å; F54-V82 HydrophobicContact CE1-CG1 4.09Å; F54-V82 HydrophobicContact CZ-CG1 4.24Å; F54-V90 HydrophobicContact CD1-CG1 3.87Å; F54-V90 HydrophobicContact CE1-CB 3.99Å; F54-V90 HydrophobicContact CE1-CG1 3.49Å; F54-V90 VanDerWaalsContact CE1-CG1 3.49Å; F54-V90 HydrophobicContact CZ-CG1 4.32Å; F54-D93 PolarHBondContact N-OD2 3.43Å; F54-D93 PolarHBondContact O-N 3.23Å
55G95.1Very high95.1Very high0 Ų043.3 Ų43.30%022%0.222CC..SBendtrans105.112.4163.800000115.6Y13 K81 V82Y13-G55 PolarHBondContact O-N 3.08Å; G55-K81 CarbonylContact O-C 3.52Å; G55-K81 VanDerWaalsContact O-CA 3.3Å; G55-K81 WeakPolarHBondContact O-CA 3.49Å; G55-V82 PolarHBondContact O-N 3.26Å
56Y96.2Very high95.1Very high10 Ų1039.6 Ų39.64%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-134.3138.5-177.8-56.8-84.8000111.6Y13 V15 I53 L59 Y78 S80 K81 P92 D93 I95Y13-Y56 CarbonylContact C-O 3.56Å; Y13-Y56 WeakPolarHBondContact CA-O 3.33Å; Y13-Y56 PolarHBondContact O-N 3.29Å; V15-Y56 WeakPolarHBondContact CG2-O 3.45Å; I53-Y56 HydrophobicContact CG2-CD2 4.03Å; I53-Y56 HydrophobicContact CG2-CE2 4.29Å; Y56-L59 HydrophobicContact CD1-CD1 4.41Å; Y56-L59 HydrophobicContact CD2-CD1 4.49Å; Y56-L59 HydrophobicContact CD2-CD2 4.24Å; Y56-L59 HydrophobicContact CG-CD1 4.04Å; Y56-L59 HydrophobicContact CG-CD2 4.41Å; Y56-Y78 AromaticContact CD1-CD1 3.44Å; Y56-Y78 HydrophobicContact CD1-CD1 3.44Å; Y56-Y78 VanDerWaalsContact CD1-CD1 3.44Å; Y56-Y78 HydrophobicContact CD1-CD2 4.09Å; Y56-Y78 AromaticContact CD1-CE1 3.71Å; Y56-Y78 HydrophobicContact CD1-CE1 3.71Å; Y56-Y78 HydrophobicContact CD1-CE2 4.32Å; Y56-Y78 AromaticContact CD1-CG 3.65Å; Y56-Y78 HydrophobicContact CD1-CG 3.65Å; Y56-Y78 AromaticContact CE1-CD1 3.85Å; Y56-Y78 HydrophobicContact CE1-CD1 3.85Å; Y56-Y78 AromaticContact CE1-CE1 3.63Å; Y56-Y78 HydrophobicContact CE1-CE1 3.63Å; Y56-Y78 HydrophobicContact CE1-CG 4.41Å; Y56-Y78 HydrophobicContact CG-CD1 4.43Å; Y56-S80 WeakPolarHBondContact CA-O 3.38Å; Y56-K81 HydrophobicContact CD1-CB 4.47Å; Y56-K81 HydrophobicContact CD1-CG 4.29Å; Y56-K81 HydrophobicContact CE1-CD 3.87Å; Y56-K81 HydrophobicContact CE1-CG 3.98Å; Y56-K81 PolarHBondContact OH-NZ 3.34Å; Y56-P92 HydrophobicContact CE2-CB 4.16Å; Y56-D93 WeakPolarHBondContact CE2-O 3.41Å; Y56-D93 VanDerWaalsContact CZ-O 3.3Å; Y56-D93 PolarHBondContact OH-O 2.91Å; Y56-I95 HydrophobicContact CD2-CD1 3.96Å; Y56-I95 HydrophobicContact CE2-CD1 3.68Å; Y56-I95 HydrophobicContact CE2-CG1 3.99Å
57R93.9Very high95.1Very high70 Ų7038.9 Ų38.926%0.26420%0.201SC..EExtended strand (participates in β ladder)trans-98.6143168.5-65.7-169.3-178.6-149.8-15.6110.9S9 D12 Y13 L59 Y78 T79 S80S9-R57 PolarHBondContact O-NH2 2.94Å; D12-R57 IonicContact OD2-CZ 2.81Å; D12-R57 IonicContact OD2-NH1 3.94Å; D12-R57 PolarHBondContact OD2-NH1 2.86Å; D12-R57 IonicContact OD2-NH2 2.89Å; D12-R57 PolarHBondContact OD2-NH2 3.42Å; Y13-R57 HydrophobicContact CD1-CG 3.73Å; Y13-R57 HydrophobicContact CD2-CG 4.44Å; Y13-R57 HydrophobicContact CE1-CG 3.62Å; Y13-R57 HydrophobicContact CE2-CG 4.36Å; Y13-R57 HydrophobicContact CG-CG 4.15Å; Y13-R57 PolarHBondContact OH-NE 2.94Å; R57-L59 PolarHBondContact O-N 3.3Å; R57-L59 VanDerWaalsContact O-N 3.17Å; R57-Y78 WeakPolarHBondContact O-CA 3.48Å; R57-Y78 VanDerWaalsContact O-CB 3.31Å; R57-Y78 WeakPolarHBondContact O-CB 3.35Å; R57-T79 WeakPolarHBondContact CB-OG1 3.41Å; R57-T79 PolarHBondContact O-N 3.35Å; R57-T79 PolarHBondContact O-OG1 3.4Å; R57-S80 WeakPolarHBondContact CB-OG 3.42Å; R57-S80 VanDerWaalsContact CD-OG 3.26Å; R57-S80 WeakPolarHBondContact CD-OG 3.04Å; R57-S80 WeakPolarHBondContact CG-OG 3.15Å; R57-S80 PolarHBondContact N-O 2.86Å
58D94.5Very high94.9Very high116 Ų11639 Ų3962%0.6220%0.203SC*.SBendtrans49.638.4-179.1-53.3-56.2000112.6K60 T79D58-K60 PolarHBondContact O-N 3.09Å; D58-T79 HydrophobicContact CB-CG2 3.75Å; D58-T79 WeakPolarHBondContact OD2-CB 3.4Å; D58-T79 WeakPolarHBondContact OD2-CG2 3.28Å; D58-T79 PolarHBondContact OD2-OG1 3.46Å
59L97.3Very high94.9Very high8 Ų837.6 Ų37.64%0.04219%0.188CC..  trans-63130.2-176.3179.264.9000110.7V15 A20 I53 Y56 R57 V61 I76 S77 Y78 I95V15-L59 HydrophobicContact CB-CB 4.39Å; V15-L59 HydrophobicContact CG1-CB 4.44Å; V15-L59 HydrophobicContact CG2-CB 3.99Å; A20-L59 HydrophobicContact CB-CD2 4.22Å; A20-L59 HydrophobicContact CB-CG 4.27Å; I53-L59 HydrophobicContact CB-CD2 3.86Å; I53-L59 HydrophobicContact CD1-CD2 3.75Å; I53-L59 HydrophobicContact CG1-CD2 4.37Å; I53-L59 HydrophobicContact CG2-CD2 3.64Å; Y56-L59 HydrophobicContact CD1-CD1 4.41Å; Y56-L59 HydrophobicContact CD2-CD1 4.49Å; Y56-L59 HydrophobicContact CD2-CD2 4.24Å; Y56-L59 HydrophobicContact CG-CD1 4.04Å; Y56-L59 HydrophobicContact CG-CD2 4.41Å; R57-L59 PolarHBondContact O-N 3.3Å; R57-L59 VanDerWaalsContact O-N 3.17Å; L59-V61 HydrophobicContact CD1-CG2 4.09Å; L59-V61 HydrophobicContact CD2-CG2 4.31Å; L59-V61 HydrophobicContact CG-CG2 4.11Å; L59-I76 HydrophobicContact CD1-CG2 4.01Å; L59-S77 WeakPolarHBondContact CA-O 3.41Å; L59-Y78 HydrophobicContact CD1-CD1 4.3Å; L59-I95 HydrophobicContact CD1-CD1 3.63Å; L59-I95 HydrophobicContact CD2-CD1 3.72Å; L59-I95 HydrophobicContact CG-CD1 4.31Å
60K96.7Very high94.9Very high122 Ų12229.4 Ų29.453%0.5315%0.15SC..EExtended strand (participates in β ladder)trans-129.7128.4168-64.2-177.7-179.1-179.90109.5D58 I76 S77D58-K60 PolarHBondContact O-N 3.09Å; K60-I76 WeakPolarHBondContact O-CA 3.43Å; K60-S77 PolarHBondContact N-O 3.4Å; K60-S77 PolarHBondContact O-N 2.87Å
61V96.8Very high94.9Very high1 Ų125.9 Ų25.91%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-117.396.9176.2-178.20000107.6A20 I21 Q22 L59 I63 I74 D75 I76 I95 L99A20-V61 PolarHBondContact O-N 3.2Å; I21-V61 WeakPolarHBondContact CA-O 3.47Å; I21-V61 HydrophobicContact CG1-CB 3.96Å; I21-V61 HydrophobicContact CG1-CG1 4.26Å; Q22-V61 PolarHBondContact N-O 3.2Å; L59-V61 HydrophobicContact CD1-CG2 4.09Å; L59-V61 HydrophobicContact CD2-CG2 4.31Å; L59-V61 HydrophobicContact CG-CG2 4.11Å; V61-I63 HydrophobicContact CG1-CG1 4.21Å; V61-I74 HydrophobicContact CG1-CG2 4.29Å; V61-D75 CarbonylContact C-O 3.55Å; V61-D75 WeakPolarHBondContact CA-O 3.44Å; V61-I76 HydrophobicContact CG1-CG1 4.34Å; V61-I76 HydrophobicContact CG2-CG1 4.46Å; V61-I95 HydrophobicContact CG1-CG2 4.47Å; V61-I95 HydrophobicContact CG2-CD1 4.27Å; V61-I95 HydrophobicContact CG2-CG2 4.15Å; V61-L99 HydrophobicContact CG1-CD1 4.16Å
62G95.7Very high94.9Very high12 Ų1224 Ų2412%0.12412%0.116CC..EExtended strand (participates in β ladder)trans-86.4116.6177.900000111.1Q22 I74 D75Q22-G62 CarbonylContact O-C 3.55Å; Q22-G62 WeakPolarHBondContact O-CA 3.34Å; G62-I74 CarbonylContact O-C 3.59Å; G62-I74 WeakPolarHBondContact O-CA 3.45Å; G62-D75 PolarHBondContact N-O 3.31Å; G62-D75 PolarHBondContact O-N 2.97Å
63I96Very high94.8Very high0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-108.9103.6177.2-50-177.7000108.9I21 Q22 F23 K24 V61 Y65 T72 I74 F173I21-I63 HydrophobicContact CG2-CD1 3.78Å; I21-I63 HydrophobicContact CG2-CG1 4.27Å; Q22-I63 PolarHBondContact O-N 3Å; F23-I63 CarbonylContact C-O 3.59Å; F23-I63 VanDerWaalsContact CA-O 3.31Å; F23-I63 WeakPolarHBondContact CA-O 3.49Å; F23-I63 HydrophobicContact CD1-CB 3.81Å; F23-I63 HydrophobicContact CD1-CD1 4.48Å; F23-I63 HydrophobicContact CD1-CG2 4.08Å; F23-I63 HydrophobicContact CE1-CB 3.9Å; F23-I63 HydrophobicContact CE1-CD1 3.77Å; F23-I63 HydrophobicContact CE1-CG1 4.35Å; F23-I63 HydrophobicContact CE1-CG2 3.99Å; F23-I63 HydrophobicContact CZ-CD1 4.08Å; K24-I63 PolarHBondContact N-O 3.37Å; V61-I63 HydrophobicContact CG1-CG1 4.21Å; I63-Y65 HydrophobicContact CB-CE2 4.38Å; I63-Y65 HydrophobicContact CG2-CD2 4.13Å; I63-Y65 HydrophobicContact CG2-CE2 3.38Å; I63-T72 HydrophobicContact CG2-CG2 3.91Å; I63-I74 HydrophobicContact CG1-CG1 4.4Å; I63-I74 HydrophobicContact CG2-CG1 4.23Å; I63-F173 HydrophobicContact CD1-CZ 4.29Å
64F95.3Very high94.7Very high18 Ų1821.4 Ų21.48%0.07910%0.104CC..EExtended strand (participates in β ladder)trans-97133.8-175.8-64.6-116000109.5K24 V26 I32 T72 Y73 D75 M111 F114K24-F64 HydrophobicContact CB-CD1 3.96Å; K24-F64 HydrophobicContact CB-CE1 4.37Å; K24-F64 HydrophobicContact CB-CG 4.27Å; K24-F64 HydrophobicContact CD-CD1 3.79Å; K24-F64 HydrophobicContact CD-CE1 3.31Å; K24-F64 HydrophobicContact CD-CE2 4.43Å; K24-F64 HydrophobicContact CD-CZ 3.67Å; K24-F64 HydrophobicContact CG-CD1 4.47Å; K24-F64 HydrophobicContact CG-CE1 4.39Å; V26-F64 HydrophobicContact CG2-CB 4.46Å; V26-F64 HydrophobicContact CG2-CD1 3.96Å; I32-F64 HydrophobicContact CD1-CD1 4.11Å; I32-F64 HydrophobicContact CD1-CE1 4.28Å; I32-F64 HydrophobicContact CG1-CD1 3.99Å; I32-F64 HydrophobicContact CG1-CE1 3.88Å; F64-T72 CarbonylContact O-C 3.26Å; F64-T72 VanDerWaalsContact O-CA 3.24Å; F64-T72 WeakPolarHBondContact O-CA 3.27Å; F64-Y73 HydrophobicContact CB-CD1 4.14Å; F64-Y73 AromaticContact CD2-CD1 3.7Å; F64-Y73 HydrophobicContact CD2-CD1 3.7Å; F64-Y73 HydrophobicContact CD2-CE1 4.2Å; F64-Y73 HydrophobicContact CE2-CD1 4.25Å; F64-Y73 HydrophobicContact CE2-CE1 4.29Å; F64-Y73 AromaticContact CG-CD1 3.95Å; F64-Y73 HydrophobicContact CG-CD1 3.95Å; F64-Y73 PolarHBondContact N-O 2.86Å; F64-Y73 PolarHBondContact O-N 2.87Å; F64-D75 HydrophobicContact CE2-CB 4.09Å; F64-M111 HydrophobicContact CE1-CE 4.3Å; F64-F114 HydrophobicContact CB-CE1 4.37Å; F64-F114 HydrophobicContact CB-CE2 4.37Å; F64-F114 HydrophobicContact CB-CZ 4.01Å
65Y94.5Very high94.7Very high0 Ų022.9 Ų22.90%011%0.113CC..EExtended strand (participates in β ladder)trans-122.3138.4171.5-67-101.4000109.3F23 K24 V26 I63 L70 S71 T72 Y103 S169 F170F23-Y65 HydrophobicContact CD1-CD2 4.43Å; F23-Y65 AromaticContact CD1-CE2 3.75Å; F23-Y65 HydrophobicContact CD1-CE2 3.75Å; F23-Y65 HydrophobicContact CE1-CE2 4.03Å; K24-Y65 PolarHBondContact O-N 3.01Å; V26-Y65 PolarHBondContact N-O 3.39Å; I63-Y65 HydrophobicContact CB-CE2 4.38Å; I63-Y65 HydrophobicContact CG2-CD2 4.13Å; I63-Y65 HydrophobicContact CG2-CE2 3.38Å; Y65-L70 HydrophobicContact CD1-CB 4Å; Y65-L70 HydrophobicContact CD1-CD2 4.21Å; Y65-S71 CarbonylContact C-O 3.59Å; Y65-S71 VanDerWaalsContact CA-O 3.27Å; Y65-S71 WeakPolarHBondContact CA-O 3.45Å; Y65-T72 HydrophobicContact CD1-CG2 4.45Å; Y65-T72 WeakPolarHBondContact CD1-OG1 3.28Å; Y65-T72 HydrophobicContact CE1-CG2 4.16Å; Y65-T72 VanDerWaalsContact CE1-OG1 3.25Å; Y65-T72 WeakPolarHBondContact CE1-OG1 3.14Å; Y65-T72 HydrophobicContact CE2-CG2 4.45Å; Y65-Y103 WeakPolarHBondContact OH-CE1 3.24Å; Y65-Y103 PolarHBondContact OH-OH 3.32Å; Y65-S169 PolarHBondContact OH-OG 2.92Å; Y65-F170 HydrophobicContact CD1-CE2 4.23Å; Y65-F170 AromaticContact CD1-CZ 3.77Å; Y65-F170 HydrophobicContact CD1-CZ 3.77Å; Y65-F170 AromaticContact CD2-CE1 3.88Å; Y65-F170 HydrophobicContact CD2-CE1 3.88Å; Y65-F170 AromaticContact CD2-CZ 3.68Å; Y65-F170 HydrophobicContact CD2-CZ 3.68Å; Y65-F170 HydrophobicContact CE1-CE1 4.2Å; Y65-F170 AromaticContact CE1-CE2 3.96Å; Y65-F170 HydrophobicContact CE1-CE2 3.96Å; Y65-F170 AromaticContact CE1-CZ 3.63Å; Y65-F170 HydrophobicContact CE1-CZ 3.63Å; Y65-F170 HydrophobicContact CE2-CD1 4.4Å; Y65-F170 AromaticContact CE2-CE1 3.44Å; Y65-F170 HydrophobicContact CE2-CE1 3.44Å; Y65-F170 VanDerWaalsContact CE2-CE1 3.44Å; Y65-F170 AromaticContact CE2-CZ 3.56Å; Y65-F170 HydrophobicContact CE2-CZ 3.56Å; Y65-F170 HydrophobicContact CG-CE1 4.42Å; Y65-F170 AromaticContact CG-CZ 3.76Å; Y65-F170 HydrophobicContact CG-CZ 3.76Å; Y65-F170 AromaticContact CZ-CE1 3.59Å; Y65-F170 AromaticContact CZ-CZ 3.5Å
66T92.9Very high94.7Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-65.9135.9162.771.70000108.3D68 S69 L70 S71 F114 F118T66-D68 VanDerWaalsContact CB-OD1 3.24Å; T66-D68 WeakPolarHBondContact CB-OD1 3.35Å; T66-D68 PolarHBondContact O-N 3.49Å; T66-D68 VanDerWaalsContact O-N 3.1Å; T66-D68 PolarHBondContact OG1-OD1 3.14Å; T66-S69 PolarHBondContact OG1-OG 3.31Å; T66-S69 VanDerWaalsContact OG1-OG 3.05Å; T66-L70 VanDerWaalsContact O-CA 3.27Å; T66-L70 WeakPolarHBondContact O-CA 3.48Å; T66-L70 PolarHBondContact O-N 2.9Å; T66-L70 VanDerWaalsContact O-N 3.16Å; T66-L70 PolarHBondContact OG1-N 2.84Å; T66-S71 PolarHBondContact N-O 3.49Å; T66-S71 PolarHBondContact OG1-N 3.06Å; T66-F114 HydrophobicContact CG2-CE1 4.48Å; T66-F114 HydrophobicContact CG2-CE2 3.69Å; T66-F114 HydrophobicContact CG2-CZ 3.64Å; T66-F118 HydrophobicContact CG2-CD2 3.77Å
67A93.1Very high94.6Very high4 Ų427.2 Ų27.23%0.03314%0.14CC..THydrogen-bonded Turntrans-62.5-22.9-172.900000113V26 R27 I197 G208 F209V26-A67 WeakPolarHBondContact O-CB 3.5Å; V26-A67 PolarHBondContact O-N 3.23Å; R27-A67 HydrophobicContact CB-CB 4.4Å; R27-A67 HydrophobicContact CG-CB 3.78Å; A67-I197 HydrophobicContact CB-CD1 4.47Å; A67-G208 CarbonylContact O-C 3.57Å; A67-G208 WeakPolarHBondContact O-CA 3.14Å; A67-F209 WeakPolarHBondContact O-CB 3.12Å; A67-F209 PolarHBondContact O-N 2.83Å
68D92Very high94.7Very high20 Ų2028.6 Ų28.611%0.10715%0.146CC..THydrogen-bonded Turntrans-87.4-87.3-177.355.55.3000112.8T66 L70 F124 Y163 Y207T66-D68 VanDerWaalsContact CB-OD1 3.24Å; T66-D68 WeakPolarHBondContact CB-OD1 3.35Å; T66-D68 PolarHBondContact O-N 3.49Å; T66-D68 VanDerWaalsContact O-N 3.1Å; T66-D68 PolarHBondContact OG1-OD1 3.14Å; D68-L70 PolarHBondContact O-N 3.35Å; D68-F124 HydrophobicContact CB-CB 4.03Å; D68-F124 HydrophobicContact CB-CD1 3.83Å; D68-F124 HydrophobicContact CB-CG 4.07Å; D68-Y163 WeakPolarHBondContact O-CE2 3.46Å; D68-Y163 PolarHBondContact O-OH 3.12Å; D68-Y207 WeakPolarHBondContact CA-O 3.36Å; D68-Y207 WeakPolarHBondContact CB-O 3.32Å
69S91.9Very high94.8Very high6 Ų627.7 Ų27.74%0.04215%0.145CC..THydrogen-bonded Turntrans-73.6-2.2-177.468.10000114T66 S71 K121 Y163 R166T66-S69 PolarHBondContact OG1-OG 3.31Å; T66-S69 VanDerWaalsContact OG1-OG 3.05Å; S69-S71 PolarHBondContact O-N 3.42Å; S69-S71 VanDerWaalsContact O-N 3.17Å; S69-S71 PolarHBondContact OG-OG 2.97Å; S69-K121 WeakPolarHBondContact OG-CD 3.34Å; S69-Y163 VanDerWaalsContact C-CE2 3.42Å; S69-Y163 WeakPolarHBondContact O-CD2 3.5Å; S69-Y163 WeakPolarHBondContact O-CE2 3.4Å; S69-R166 WeakPolarHBondContact O-CD 3.42Å; S69-R166 PolarHBondContact O-NH1 3.15Å
70L94.5Very high94.6Very high0 Ų029 Ų290%016%0.155CC..  trans54.832.4-179.9-60.7175.6000112.6L25 Y65 T66 D68 T72 Y163 R166 M167 F170 F209L25-L70 HydrophobicContact CD2-CD2 4.41Å; Y65-L70 HydrophobicContact CD1-CB 4Å; Y65-L70 HydrophobicContact CD1-CD2 4.21Å; T66-L70 VanDerWaalsContact O-CA 3.27Å; T66-L70 WeakPolarHBondContact O-CA 3.48Å; T66-L70 PolarHBondContact O-N 2.9Å; T66-L70 VanDerWaalsContact O-N 3.16Å; T66-L70 PolarHBondContact OG1-N 2.84Å; D68-L70 PolarHBondContact O-N 3.35Å; L70-T72 PolarHBondContact O-N 3.15Å; L70-T72 PolarHBondContact O-OG1 3.06Å; L70-Y163 HydrophobicContact CB-CE2 3.92Å; L70-Y163 HydrophobicContact CD1-CE2 3.71Å; L70-Y163 HydrophobicContact CG-CE2 3.71Å; L70-R166 HydrophobicContact CB-CB 3.85Å; L70-R166 HydrophobicContact CD1-CB 4.41Å; L70-R166 VanDerWaalsContact O-CD 3.31Å; L70-R166 WeakPolarHBondContact O-CD 3.16Å; L70-M167 HydrophobicContact CD1-CG 3.7Å; L70-F170 HydrophobicContact CD1-CE2 4.22Å; L70-F170 HydrophobicContact CD2-CE2 4.11Å; L70-F170 HydrophobicContact CD2-CZ 4.39Å; L70-F209 HydrophobicContact CD1-CB 4.49Å; L70-F209 HydrophobicContact CD1-CD1 3.85Å; L70-F209 HydrophobicContact CD1-CD2 4.48Å; L70-F209 HydrophobicContact CD1-CE1 4.13Å; L70-F209 HydrophobicContact CD1-CG 4.03Å; L70-F209 HydrophobicContact CD2-CB 4.1Å; L70-F209 HydrophobicContact CD2-CD1 3.94Å; L70-F209 HydrophobicContact CD2-CG 4.27Å; L70-F209 HydrophobicContact CG-CB 4.39Å; L70-F209 HydrophobicContact CG-CD1 4.38Å; L70-F209 HydrophobicContact CG-CG 4.43Å
71S92.9Very high94.5Very high5 Ų527.9 Ų27.94%0.03515%0.15CC..  trans-61.7135.5172.5-58.50000108.3Y65 T66 S69 F114 K121Y65-S71 CarbonylContact C-O 3.59Å; Y65-S71 VanDerWaalsContact CA-O 3.27Å; Y65-S71 WeakPolarHBondContact CA-O 3.45Å; T66-S71 PolarHBondContact N-O 3.49Å; T66-S71 PolarHBondContact OG1-N 3.06Å; S69-S71 PolarHBondContact O-N 3.42Å; S69-S71 VanDerWaalsContact O-N 3.17Å; S69-S71 PolarHBondContact OG-OG 2.97Å; S71-F114 WeakPolarHBondContact O-CE2 3.49Å; S71-K121 WeakPolarHBondContact OG-CD 3.43Å; S71-K121 PolarHBondContact OG-NZ 2.83Å
72T94.7Very high94.3Very high2 Ų228.1 Ų28.11%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-111138.4-166.7-50.40000111.8I63 F64 Y65 L70 I74 Y103 Y105 I107 S108I63-T72 HydrophobicContact CG2-CG2 3.91Å; F64-T72 CarbonylContact O-C 3.26Å; F64-T72 VanDerWaalsContact O-CA 3.24Å; F64-T72 WeakPolarHBondContact O-CA 3.27Å; Y65-T72 HydrophobicContact CD1-CG2 4.45Å; Y65-T72 WeakPolarHBondContact CD1-OG1 3.28Å; Y65-T72 HydrophobicContact CE1-CG2 4.16Å; Y65-T72 VanDerWaalsContact CE1-OG1 3.25Å; Y65-T72 WeakPolarHBondContact CE1-OG1 3.14Å; Y65-T72 HydrophobicContact CE2-CG2 4.45Å; L70-T72 PolarHBondContact O-N 3.15Å; L70-T72 PolarHBondContact O-OG1 3.06Å; T72-I74 HydrophobicContact CG2-CG1 4.3Å; T72-Y103 HydrophobicContact CG2-CD1 4.45Å; T72-Y103 HydrophobicContact CG2-CE1 4.14Å; T72-Y105 WeakPolarHBondContact OG1-CE2 3.26Å; T72-Y105 PolarHBondContact OG1-OH 2.63Å; T72-I107 HydrophobicContact CG2-CG2 4.34Å; T72-I107 WeakPolarHBondContact O-CG2 3.43Å; T72-S108 PolarHBondContact O-N 3.14Å
73Y94.3Very high93.9Very high16 Ų1631.6 Ų31.66%0.06317%0.167CC..EExtended strand (participates in β ladder)trans-126.3134.7167.4166.1-116.2000108.9F64 D75 S108 N110 M111 F114F64-Y73 HydrophobicContact CB-CD1 4.14Å; F64-Y73 AromaticContact CD2-CD1 3.7Å; F64-Y73 HydrophobicContact CD2-CD1 3.7Å; F64-Y73 HydrophobicContact CD2-CE1 4.2Å; F64-Y73 HydrophobicContact CE2-CD1 4.25Å; F64-Y73 HydrophobicContact CE2-CE1 4.29Å; F64-Y73 AromaticContact CG-CD1 3.95Å; F64-Y73 HydrophobicContact CG-CD1 3.95Å; F64-Y73 PolarHBondContact N-O 2.86Å; F64-Y73 PolarHBondContact O-N 2.87Å; Y73-D75 HydrophobicContact CE1-CB 3.68Å; Y73-D75 PolarHBondContact OH-OD1 2.92Å; Y73-S108 VanDerWaalsContact CD2-O 3.31Å; Y73-S108 WeakPolarHBondContact CD2-O 3.22Å; Y73-N110 VanDerWaalsContact CE2-C 3.44Å; Y73-M111 HydrophobicContact CD1-CE 4.08Å; Y73-M111 HydrophobicContact CD1-SD 4.36Å; Y73-M111 HydrophobicContact CE1-CE 3.67Å; Y73-M111 HydrophobicContact CE1-SD 4.3Å; Y73-F114 HydrophobicContact CG-CB 4.15Å; Y73-F114 HydrophobicContact CG-CD2 4.44Å; Y73-F114 HydrophobicContact CG-CG 4.25Å
74I95.1Very high93.4Very high11 Ų1133.8 Ų33.86%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-115.9121.1176.5-62.4174000108.1V61 G62 I63 T72 I76 M96 L99 Y103 I107V61-I74 HydrophobicContact CG1-CG2 4.29Å; G62-I74 CarbonylContact O-C 3.59Å; G62-I74 WeakPolarHBondContact O-CA 3.45Å; I63-I74 HydrophobicContact CG1-CG1 4.4Å; I63-I74 HydrophobicContact CG2-CG1 4.23Å; T72-I74 HydrophobicContact CG2-CG1 4.3Å; I74-I76 HydrophobicContact CG2-CD1 4.34Å; I74-I76 HydrophobicContact CG2-CG1 4.03Å; I74-M96 HydrophobicContact CB-SD 4.29Å; I74-M96 HydrophobicContact CG2-SD 3.86Å; I74-L99 HydrophobicContact CD1-CB 4.45Å; I74-L99 HydrophobicContact CD1-CD1 4.05Å; I74-L99 HydrophobicContact CG2-CD1 4.25Å; I74-Y103 HydrophobicContact CD1-CD2 3.98Å; I74-Y103 HydrophobicContact CD1-CE2 3.98Å; I74-I107 HydrophobicContact CB-CG2 4.24Å; I74-I107 HydrophobicContact CD1-CD1 3.59Å; I74-I107 HydrophobicContact CD1-CG2 4.08Å; I74-I107 HydrophobicContact CG1-CG2 3.86Å
75D94.4Very high92.8Very high60 Ų6041.1 Ų41.132%0.32122%0.216SC..EExtended strand (participates in β ladder)trans-107.3126.9174.9-170.164.6000108.9V61 G62 F64 Y73V61-D75 CarbonylContact C-O 3.55Å; V61-D75 WeakPolarHBondContact CA-O 3.44Å; G62-D75 PolarHBondContact N-O 3.31Å; G62-D75 PolarHBondContact O-N 2.97Å; F64-D75 HydrophobicContact CE2-CB 4.09Å; Y73-D75 HydrophobicContact CE1-CB 3.68Å; Y73-D75 PolarHBondContact OH-OD1 2.92Å
76I95.1Very high92.2Very high48 Ų4844.1 Ų44.125%0.24623%0.232CC..EExtended strand (participates in β ladder)trans-122119.9177.2-60.3173.5000107.8L59 K60 V61 I74 Y78 I95 M96L59-I76 HydrophobicContact CD1-CG2 4.01Å; K60-I76 WeakPolarHBondContact O-CA 3.43Å; V61-I76 HydrophobicContact CG1-CG1 4.34Å; V61-I76 HydrophobicContact CG2-CG1 4.46Å; I74-I76 HydrophobicContact CG2-CD1 4.34Å; I74-I76 HydrophobicContact CG2-CG1 4.03Å; I76-Y78 HydrophobicContact CG2-CD1 4.08Å; I76-Y78 HydrophobicContact CG2-CE1 4.24Å; I76-I95 HydrophobicContact CD1-CB 3.95Å; I76-I95 HydrophobicContact CD1-CG2 3.73Å; I76-I95 HydrophobicContact CG2-CD1 4.19Å; I76-M96 HydrophobicContact CD1-CG 3.61Å; I76-M96 HydrophobicContact CD1-SD 3.62Å
77S95.3Very high91.7Very high52 Ų5244.4 Ų44.436%0.36423%0.233SC..EExtended strand (participates in β ladder)trans-129.9146.4175.757.60000110.9L59 K60L59-S77 WeakPolarHBondContact CA-O 3.41Å; K60-S77 PolarHBondContact N-O 3.4Å; K60-S77 PolarHBondContact O-N 2.87Å
78Y96.6Very high91.2Very high100 Ų10052 Ų5239%0.39227%0.266SS..  trans-158.8155.1179.149.9-98.1000108.9Y56 R57 L59 I76 K81Y56-Y78 AromaticContact CD1-CD1 3.44Å; Y56-Y78 HydrophobicContact CD1-CD1 3.44Å; Y56-Y78 VanDerWaalsContact CD1-CD1 3.44Å; Y56-Y78 HydrophobicContact CD1-CD2 4.09Å; Y56-Y78 AromaticContact CD1-CE1 3.71Å; Y56-Y78 HydrophobicContact CD1-CE1 3.71Å; Y56-Y78 HydrophobicContact CD1-CE2 4.32Å; Y56-Y78 AromaticContact CD1-CG 3.65Å; Y56-Y78 HydrophobicContact CD1-CG 3.65Å; Y56-Y78 AromaticContact CE1-CD1 3.85Å; Y56-Y78 HydrophobicContact CE1-CD1 3.85Å; Y56-Y78 AromaticContact CE1-CE1 3.63Å; Y56-Y78 HydrophobicContact CE1-CE1 3.63Å; Y56-Y78 HydrophobicContact CE1-CG 4.41Å; Y56-Y78 HydrophobicContact CG-CD1 4.43Å; R57-Y78 WeakPolarHBondContact O-CA 3.48Å; R57-Y78 VanDerWaalsContact O-CB 3.31Å; R57-Y78 WeakPolarHBondContact O-CB 3.35Å; L59-Y78 HydrophobicContact CD1-CD1 4.3Å; I76-Y78 HydrophobicContact CG2-CD1 4.08Å; I76-Y78 HydrophobicContact CG2-CE1 4.24Å; Y78-K81 HydrophobicContact CD2-CB 4.37Å; Y78-K81 HydrophobicContact CE2-CB 3.82Å
79T96.1Very high90.8Very high96 Ų9653.3 Ų53.359%0.58928%0.284SS*.SBendtrans-83-32.1179.452.50000112.6R57 D58R57-T79 WeakPolarHBondContact CB-OG1 3.41Å; R57-T79 PolarHBondContact O-N 3.35Å; R57-T79 PolarHBondContact O-OG1 3.4Å; D58-T79 HydrophobicContact CB-CG2 3.75Å; D58-T79 WeakPolarHBondContact OD2-CB 3.4Å; D58-T79 WeakPolarHBondContact OD2-CG2 3.28Å; D58-T79 PolarHBondContact OD2-OG1 3.46Å
80S93.7Very high90.6Very high37 Ų3756.9 Ų56.926%0.25931%0.305SS..EExtended strand (participates in β ladder)trans-154.9155.8172.966.40000112Y13 Y56 R57Y13-S80 PolarHBondContact OH-OG 2.89Å; Y56-S80 WeakPolarHBondContact CA-O 3.38Å; R57-S80 WeakPolarHBondContact CB-OG 3.42Å; R57-S80 VanDerWaalsContact CD-OG 3.26Å; R57-S80 WeakPolarHBondContact CD-OG 3.04Å; R57-S80 WeakPolarHBondContact CG-OG 3.15Å; R57-S80 PolarHBondContact N-O 2.86Å
81K93.8Very high90.5Very high98 Ų9862.1 Ų62.143%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-113.8138.9175.9-175.2169.9-178.9163.10108.8G55 Y56 Y78 D83 P92G55-K81 CarbonylContact O-C 3.52Å; G55-K81 VanDerWaalsContact O-CA 3.3Å; G55-K81 WeakPolarHBondContact O-CA 3.49Å; Y56-K81 HydrophobicContact CD1-CB 4.47Å; Y56-K81 HydrophobicContact CD1-CG 4.29Å; Y56-K81 HydrophobicContact CE1-CD 3.87Å; Y56-K81 HydrophobicContact CE1-CG 3.98Å; Y56-K81 PolarHBondContact OH-NZ 3.34Å; Y78-K81 HydrophobicContact CD2-CB 4.37Å; Y78-K81 HydrophobicContact CE2-CB 3.82Å; K81-D83 PolarHBondContact O-N 3.02Å; K81-P92 HydrophobicContact CD-CB 4.46Å; K81-P92 HydrophobicContact CD-CG 4.08Å; K81-P92 HydrophobicContact CG-CB 4.06Å; K81-P92 HydrophobicContact CG-CG 3.9Å
82V91.8Very high90.5Very high5 Ų562.9 Ų62.93%0.0334%0.336CS..  trans-63.9134.6-176.272.90000110.5L10 Y13 F54 G55 L86 P92L10-V82 HydrophobicContact CD2-CG2 3.95Å; Y13-V82 HydrophobicContact CD1-CB 3.69Å; Y13-V82 HydrophobicContact CD1-CG2 4.36Å; Y13-V82 HydrophobicContact CD2-CB 4.45Å; Y13-V82 HydrophobicContact CD2-CG2 4.25Å; Y13-V82 HydrophobicContact CE1-CB 3.89Å; Y13-V82 HydrophobicContact CE1-CG2 4.46Å; Y13-V82 HydrophobicContact CE2-CG2 4.35Å; Y13-V82 HydrophobicContact CG-CB 3.99Å; Y13-V82 HydrophobicContact CG-CG2 4.24Å; F54-V82 HydrophobicContact CE1-CG1 4.09Å; F54-V82 HydrophobicContact CZ-CG1 4.24Å; G55-V82 PolarHBondContact O-N 3.26Å; V82-L86 HydrophobicContact CG2-CD2 4.48Å; V82-P92 HydrophobicContact CG1-CB 4.06Å; V82-P92 HydrophobicContact CG1-CG 4.31Å
83D87.3Confident90.6Very high86 Ų8665.2 Ų65.246%0.4635%0.348SS..  trans-76.1126.4168.9-170.9-36.2000108.6K81 Q85 L86 S87K81-D83 PolarHBondContact O-N 3.02Å; D83-Q85 PolarHBondContact O-N 3.5Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.36Å; D83-Q85 WeakPolarHBondContact OD1-CG 3.37Å; D83-Q85 PolarHBondContact OD1-N 2.97Å; D83-L86 WeakPolarHBondContact O-CB 3.38Å; D83-L86 PolarHBondContact O-N 3.3Å; D83-S87 PolarHBondContact O-N 3.46Å
84P85.5Confident90.6Very high46 Ų4669 Ų6930%0.29937%0.369SS..THydrogen-bonded Turntrans-44.4-31.9171.2-35.440.7000115.9S87 K88 G89 M91P84-S87 WeakPolarHBondContact CA-OG 3.42Å; P84-S87 PolarHBondContact O-N 2.93Å; P84-S87 PolarHBondContact O-OG 3.16Å; P84-K88 PolarHBondContact O-N 3.17Å; P84-G89 WeakPolarHBondContact O-CA 3.27Å; P84-G89 PolarHBondContact O-N 2.81Å; P84-M91 HydrophobicContact CB-CE 3.41Å; P84-M91 VanDerWaalsContact CB-CE 3.41Å; P84-M91 HydrophobicContact CB-SD 4.43Å; P84-M91 HydrophobicContact CG-CE 3.42Å; P84-M91 VanDerWaalsContact CG-CE 3.42Å; P84-M91 HydrophobicContact CG-SD 3.78Å
85Q83.7Confident90.6Very high171 Ų17168.6 Ų68.680%0.79937%0.367SS*.THydrogen-bonded Turntrans-67.6-37.2178.1-62.5-175.411.700112D83D83-Q85 PolarHBondContact O-N 3.5Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.36Å; D83-Q85 WeakPolarHBondContact OD1-CG 3.37Å; D83-Q85 PolarHBondContact OD1-N 2.97Å
86L81Confident90.5Very high64 Ų6469.6 Ų69.634%0.33537%0.371SS..THydrogen-bonded Turntrans-72.8-34.9178.1-172.867.9000111.5L10 Y13 V82 D83 K88L10-L86 HydrophobicContact CD2-CG 4.29Å; Y13-L86 HydrophobicContact CE2-CD2 4.28Å; V82-L86 HydrophobicContact CG2-CD2 4.48Å; D83-L86 WeakPolarHBondContact O-CB 3.38Å; D83-L86 PolarHBondContact O-N 3.3Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 3.28Å
87S81.9Confident90.4Very high5 Ų573.6 Ų73.64%0.03539%0.389CS..THydrogen-bonded Turntrans-88.114.8-177.563.70000114.4D83 P84 G89 V90D83-S87 PolarHBondContact O-N 3.46Å; P84-S87 WeakPolarHBondContact CA-OG 3.42Å; P84-S87 PolarHBondContact O-N 2.93Å; P84-S87 PolarHBondContact O-OG 3.16Å; S87-G89 PolarHBondContact O-N 2.89Å; S87-V90 WeakPolarHBondContact CB-O 3.4Å; S87-V90 WeakPolarHBondContact O-CG2 3.23Å; S87-V90 PolarHBondContact O-N 3.41Å; S87-V90 PolarHBondContact OG-N 3.46Å; S87-V90 PolarHBondContact OG-O 2.97Å
88K83.5Confident90.3Very high165 Ų16573.5 Ų73.572%0.71738%0.383SS*.THydrogen-bonded Turntrans53.734.8-175.8-57.7-178.6179.2179.90112.9P84 L86P84-K88 PolarHBondContact O-N 3.17Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 3.28Å
89G83.5Confident90.2Very high46 Ų4668.8 Ų68.847%0.47437%0.365SS..THydrogen-bonded Turntrans92.2-1.3177.500000115.5P84 S87 M91P84-G89 WeakPolarHBondContact O-CA 3.27Å; P84-G89 PolarHBondContact O-N 2.81Å; S87-G89 PolarHBondContact O-N 2.89Å; G89-M91 VanDerWaalsContact O-CE 3.28Å; G89-M91 WeakPolarHBondContact O-CE 3.4Å; G89-M91 PolarHBondContact O-N 2.87Å
90V88Confident89.9Confident81 Ų8167.2 Ų67.249%0.49136%0.358SS..PPolyproline II helixtrans-73.3120.3176-175.70000109.5F54 S87F54-V90 HydrophobicContact CD1-CG1 3.87Å; F54-V90 HydrophobicContact CE1-CB 3.99Å; F54-V90 HydrophobicContact CE1-CG1 3.49Å; F54-V90 VanDerWaalsContact CE1-CG1 3.49Å; F54-V90 HydrophobicContact CZ-CG1 4.32Å; S87-V90 WeakPolarHBondContact CB-O 3.4Å; S87-V90 WeakPolarHBondContact O-CG2 3.23Å; S87-V90 PolarHBondContact O-N 3.41Å; S87-V90 PolarHBondContact OG-N 3.46Å; S87-V90 PolarHBondContact OG-O 2.97Å
91M91.9Very high89.6Confident110 Ų11068.4 Ų68.454%0.54238%0.376SS..PPolyproline II helixtrans-73.2146.2178.1-65.5-61.9115.500111.1P84 G89P84-M91 HydrophobicContact CB-CE 3.41Å; P84-M91 VanDerWaalsContact CB-CE 3.41Å; P84-M91 HydrophobicContact CB-SD 4.43Å; P84-M91 HydrophobicContact CG-CE 3.42Å; P84-M91 VanDerWaalsContact CG-CE 3.42Å; P84-M91 HydrophobicContact CG-SD 3.78Å; G89-M91 VanDerWaalsContact O-CE 3.28Å; G89-M91 WeakPolarHBondContact O-CE 3.4Å; G89-M91 PolarHBondContact O-N 2.87Å
92P93.9Very high89.5Confident21 Ų2165.2 Ų65.214%0.13636%0.363CS..PPolyproline II helixtrans-60.5145.6165.223.2-31.1000111.1Y56 K81 V82 D94Y56-P92 HydrophobicContact CE2-CB 4.16Å; K81-P92 HydrophobicContact CD-CB 4.46Å; K81-P92 HydrophobicContact CD-CG 4.08Å; K81-P92 HydrophobicContact CG-CB 4.06Å; K81-P92 HydrophobicContact CG-CG 3.9Å; V82-P92 HydrophobicContact CG1-CB 4.06Å; V82-P92 HydrophobicContact CG1-CG 4.31Å; P92-D94 PolarHBondContact O-N 3.33Å
93D95.6Very high89.5Confident51 Ų5165.3 Ų65.327%0.27336%0.363SS..PPolyproline II helixtrans-62.5135.2-178.9-68.2-23.7000111.4I53 F54 Y56 I95 I98I53-D93 HydrophobicContact CG2-CB 4.14Å; F54-D93 PolarHBondContact N-OD2 3.43Å; F54-D93 PolarHBondContact O-N 3.23Å; Y56-D93 WeakPolarHBondContact CE2-O 3.41Å; Y56-D93 VanDerWaalsContact CZ-O 3.3Å; Y56-D93 PolarHBondContact OH-O 2.91Å; D93-I95 PolarHBondContact O-N 2.9Å; D93-I95 VanDerWaalsContact O-N 3.1Å; D93-I98 HydrophobicContact CB-CD1 4.16Å
94D94.9Very high89.5Confident96 Ų9665.3 Ų65.351%0.51337%0.368SS..  trans-83.686.1172.7-170.5-19.5000109.9P92 M96 H97 I98P92-D94 PolarHBondContact O-N 3.33Å; D94-M96 VanDerWaalsContact C-N 3.29Å; D94-M96 PolarHBondContact O-N 3.05Å; D94-M96 PolarHBondContact OD1-N 2.81Å; D94-H97 HydrophobicContact CB-CB 3.8Å; D94-H97 PolarHBondContact O-N 2.97Å; D94-H97 VanDerWaalsContact O-N 3.17Å; D94-H97 PolarHBondContact OD1-N 3.1Å; D94-I98 WeakPolarHBondContact O-CG1 3.46Å; D94-I98 PolarHBondContact O-N 2.59Å
95I94.8Very high89.7Confident2 Ų264.9 Ų64.91%0.0136%0.36CS..Hα-helixtrans-55.7-43.1-176.8-58.2168.4000111.2I53 Y56 L59 V61 I76 D93 I98 L99I53-I95 HydrophobicContact CG2-CD1 3.98Å; I53-I95 HydrophobicContact CG2-CG1 3.88Å; Y56-I95 HydrophobicContact CD2-CD1 3.96Å; Y56-I95 HydrophobicContact CE2-CD1 3.68Å; Y56-I95 HydrophobicContact CE2-CG1 3.99Å; L59-I95 HydrophobicContact CD1-CD1 3.63Å; L59-I95 HydrophobicContact CD2-CD1 3.72Å; L59-I95 HydrophobicContact CG-CD1 4.31Å; V61-I95 HydrophobicContact CG1-CG2 4.47Å; V61-I95 HydrophobicContact CG2-CD1 4.27Å; V61-I95 HydrophobicContact CG2-CG2 4.15Å; I76-I95 HydrophobicContact CD1-CB 3.95Å; I76-I95 HydrophobicContact CD1-CG2 3.73Å; I76-I95 HydrophobicContact CG2-CD1 4.19Å; D93-I95 PolarHBondContact O-N 2.9Å; D93-I95 VanDerWaalsContact O-N 3.1Å; I95-I98 PolarHBondContact O-N 3.07Å; I95-L99 HydrophobicContact CG2-CD1 3.83Å; I95-L99 HydrophobicContact CG2-CG 4.28Å; I95-L99 WeakPolarHBondContact O-CB 3.34Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 3.1Å
96M92.8Very high90Very high82 Ų8264.4 Ų64.440%0.40436%0.363SS..Hα-helixtrans-68.4-38.7-179.5-76.7-58.2-62.500111.9I74 I76 D94 S100I74-M96 HydrophobicContact CB-SD 4.29Å; I74-M96 HydrophobicContact CG2-SD 3.86Å; I76-M96 HydrophobicContact CD1-CG 3.61Å; I76-M96 HydrophobicContact CD1-SD 3.62Å; D94-M96 VanDerWaalsContact C-N 3.29Å; D94-M96 PolarHBondContact O-N 3.05Å; D94-M96 PolarHBondContact OD1-N 2.81Å; M96-S100 WeakPolarHBondContact O-CB 3.49Å; M96-S100 PolarHBondContact O-N 2.69Å
97H93.2Very high90.5Very high132 Ų13263 Ų6361%0.61136%0.356SS*.Hα-helixtrans-64-45.7174.9-178.162.2000111.5D94 L99 S100D94-H97 HydrophobicContact CB-CB 3.8Å; D94-H97 PolarHBondContact O-N 2.97Å; D94-H97 VanDerWaalsContact O-N 3.17Å; D94-H97 PolarHBondContact OD1-N 3.1Å; H97-L99 PolarHBondContact O-N 3.42Å; H97-S100 WeakPolarHBondContact O-CB 3.34Å; H97-S100 PolarHBondContact O-N 3Å; H97-S100 PolarHBondContact O-OG 2.81Å
98I93.8Very high90.9Very high50 Ų5063.2 Ų63.226%0.25636%0.358SS..Hα-helixtrans-58.5-49.9176.6-67.2165.6000110.3I46 F47 D93 D94 I95 S100 G101I46-I98 HydrophobicContact CG2-CG2 3.65Å; I46-I98 VanDerWaalsContact O-CG2 3.3Å; I46-I98 WeakPolarHBondContact O-CG2 3.45Å; F47-I98 HydrophobicContact CD1-CD1 4.22Å; F47-I98 HydrophobicContact CD1-CG2 4.23Å; F47-I98 HydrophobicContact CE1-CD1 4.22Å; F47-I98 HydrophobicContact CE1-CG2 3.98Å; F47-I98 HydrophobicContact CZ-CG2 4.38Å; D93-I98 HydrophobicContact CB-CD1 4.16Å; D94-I98 WeakPolarHBondContact O-CG1 3.46Å; D94-I98 PolarHBondContact O-N 2.59Å; I95-I98 PolarHBondContact O-N 3.07Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.28Å; I98-G101 PolarHBondContact O-N 3.03Å
99L93.2Very high90.8Very high0 Ų064.3 Ų64.30%036%0.362CS..Hα-helixtrans-66.1-28179.8-66.9178.9000112.5I46 F47 V61 I74 I95 H97 G101 I102 Y103 F173I46-L99 HydrophobicContact CG2-CD2 4.18Å; F47-L99 HydrophobicContact CE2-CD2 4.42Å; F47-L99 HydrophobicContact CZ-CD2 4.1Å; V61-L99 HydrophobicContact CG1-CD1 4.16Å; I74-L99 HydrophobicContact CD1-CB 4.45Å; I74-L99 HydrophobicContact CD1-CD1 4.05Å; I74-L99 HydrophobicContact CG2-CD1 4.25Å; I95-L99 HydrophobicContact CG2-CD1 3.83Å; I95-L99 HydrophobicContact CG2-CG 4.28Å; I95-L99 WeakPolarHBondContact O-CB 3.34Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 3.1Å; H97-L99 PolarHBondContact O-N 3.42Å; L99-G101 PolarHBondContact O-N 3.01Å; L99-G101 VanDerWaalsContact O-N 3.12Å; L99-I102 PolarHBondContact O-N 2.82Å; L99-Y103 HydrophobicContact CB-CD2 4.05Å; L99-Y103 HydrophobicContact CB-CE2 4.27Å; L99-Y103 HydrophobicContact CD2-CE2 4.25Å; L99-Y103 VanDerWaalsContact O-CD2 3.22Å; L99-Y103 WeakPolarHBondContact O-CD2 3.16Å; L99-Y103 PolarHBondContact O-N 3.48Å; L99-Y103 VanDerWaalsContact O-N 3.09Å; L99-F173 HydrophobicContact CD2-CZ 4.33Å
100S90.3Very high91.1Very high64 Ų6465 Ų6545%0.44836%0.355SS..Hα-helixtrans-59.8-25179.276.40000114M96 H97 I98 I102M96-S100 WeakPolarHBondContact O-CB 3.49Å; M96-S100 PolarHBondContact O-N 2.69Å; H97-S100 WeakPolarHBondContact O-CB 3.34Å; H97-S100 PolarHBondContact O-N 3Å; H97-S100 PolarHBondContact O-OG 2.81Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.28Å; S100-I102 VanDerWaalsContact C-N 3.34Å
101G87.2Confident91.1Very high61 Ų6163.8 Ų63.863%0.62935%0.345SS*.THydrogen-bonded Turntrans-70.6-28.4172.700000113.6I98 L99I98-G101 PolarHBondContact O-N 3.03Å; L99-G101 PolarHBondContact O-N 3.01Å; L99-G101 VanDerWaalsContact O-N 3.12Å
102I90.9Very high91Very high32 Ų3262.9 Ų62.916%0.16435%0.349CS..THydrogen-bonded Turntrans-88.9-26.7-178.1-51.8-39000111.9I46 L99 S100 P104 L172 F173I46-I102 HydrophobicContact CD1-CG1 4.29Å; I46-I102 HydrophobicContact CG1-CD1 4.3Å; I46-I102 HydrophobicContact CG1-CG1 4.16Å; I46-I102 HydrophobicContact CG2-CG1 4.25Å; L99-I102 PolarHBondContact O-N 2.82Å; S100-I102 VanDerWaalsContact C-N 3.34Å; I102-P104 WeakPolarHBondContact O-CD 3.11Å; I102-L172 HydrophobicContact CB-CD1 4.47Å; I102-L172 HydrophobicContact CD1-CD1 3.29Å; I102-L172 HydrophobicContact CG1-CD1 4.03Å; I102-L172 HydrophobicContact CG2-CD1 3.91Å; I102-F173 HydrophobicContact CG2-CE2 4.36Å
103Y92.4Very high90.8Very high6 Ų665.5 Ų65.52%0.02436%0.362CS..  trans-110.976.6-177.9-65.4-74.9000110.2Y65 T72 I74 L99 Y105 I107 S169Y65-Y103 WeakPolarHBondContact OH-CE1 3.24Å; Y65-Y103 PolarHBondContact OH-OH 3.32Å; T72-Y103 HydrophobicContact CG2-CD1 4.45Å; T72-Y103 HydrophobicContact CG2-CE1 4.14Å; I74-Y103 HydrophobicContact CD1-CD2 3.98Å; I74-Y103 HydrophobicContact CD1-CE2 3.98Å; L99-Y103 HydrophobicContact CB-CD2 4.05Å; L99-Y103 HydrophobicContact CB-CE2 4.27Å; L99-Y103 HydrophobicContact CD2-CE2 4.25Å; L99-Y103 VanDerWaalsContact O-CD2 3.22Å; L99-Y103 WeakPolarHBondContact O-CD2 3.16Å; L99-Y103 PolarHBondContact O-N 3.48Å; L99-Y103 VanDerWaalsContact O-N 3.09Å; Y103-Y105 HydrophobicContact CD1-CE1 4.01Å; Y103-Y105 HydrophobicContact CD1-CE2 4.23Å; Y103-Y105 AromaticContact CD1-CZ 3.58Å; Y103-Y105 VanDerWaalsContact CD1-OH 3.28Å; Y103-Y105 WeakPolarHBondContact CD1-OH 3.42Å; Y103-Y105 PolarHBondContact O-N 2.96Å; Y103-I107 HydrophobicContact CD1-CD1 4.37Å; Y103-I107 HydrophobicContact CD2-CD1 4.05Å; Y103-I107 HydrophobicContact CG-CD1 3.67Å; Y103-I107 HydrophobicContact CG-CG1 4.37Å; Y103-S169 WeakPolarHBondContact CE1-OG 3.5Å
104P87Confident90.6Very high87 Ų8763 Ų6357%0.56535%0.349SS*.  trans-75.430.5-177.235.3-40000112.6I102I102-P104 WeakPolarHBondContact O-CD 3.11Å
105Y90.8Very high90.2Very high36 Ų3660.3 Ų60.314%0.14133%0.334CS..SBendtrans-145.2164.6-176.358-97.5000110.6T72 Y103 I107 K165 R166 S169T72-Y105 WeakPolarHBondContact OG1-CE2 3.26Å; T72-Y105 PolarHBondContact OG1-OH 2.63Å; Y103-Y105 HydrophobicContact CD1-CE1 4.01Å; Y103-Y105 HydrophobicContact CD1-CE2 4.23Å; Y103-Y105 AromaticContact CD1-CZ 3.58Å; Y103-Y105 VanDerWaalsContact CD1-OH 3.28Å; Y103-Y105 WeakPolarHBondContact CD1-OH 3.42Å; Y103-Y105 PolarHBondContact O-N 2.96Å; Y105-I107 PolarHBondContact O-N 3.36Å; Y105-K165 HydrophobicContact CD1-CB 4.23Å; Y105-K165 WeakPolarHBondContact CE1-O 3.36Å; Y105-R166 HydrophobicContact CD1-CG 4.16Å; Y105-R166 HydrophobicContact CD2-CG 4.23Å; Y105-R166 HydrophobicContact CE1-CB 4.13Å; Y105-R166 HydrophobicContact CE1-CG 3.85Å; Y105-R166 HydrophobicContact CE2-CG 3.91Å; Y105-R166 HydrophobicContact CG-CG 4.33Å; Y105-S169 PolarHBondContact OH-OG 3.03Å
106N90.3Very high89.8Confident161 Ų16166.1 Ų66.186%0.86136%0.36SS*.PPolyproline II helixtrans-65.6122.6-176.8-67.6-21.9000111.6
107I91.8Very high89.1Confident34 Ų3464.4 Ų64.417%0.17435%0.352CS..PPolyproline II helixtrans-100.8135.9172.3-58.1162.9000108T72 I74 Y103 Y105 K109T72-I107 HydrophobicContact CG2-CG2 4.34Å; T72-I107 WeakPolarHBondContact O-CG2 3.43Å; I74-I107 HydrophobicContact CB-CG2 4.24Å; I74-I107 HydrophobicContact CD1-CD1 3.59Å; I74-I107 HydrophobicContact CD1-CG2 4.08Å; I74-I107 HydrophobicContact CG1-CG2 3.86Å; Y103-I107 HydrophobicContact CD1-CD1 4.37Å; Y103-I107 HydrophobicContact CD2-CD1 4.05Å; Y103-I107 HydrophobicContact CG-CD1 3.67Å; Y103-I107 HydrophobicContact CG-CG1 4.37Å; Y105-I107 PolarHBondContact O-N 3.36Å; I107-K109 PolarHBondContact O-N 3.3Å
108S89.7Confident88.5Confident11 Ų1158.6 Ų58.68%0.07733%0.325CS..BIsolated β-bridgetrans-61134.8170.8-74.70000109.6T72 Y73 F114 N117T72-S108 PolarHBondContact O-N 3.14Å; Y73-S108 VanDerWaalsContact CD2-O 3.31Å; Y73-S108 WeakPolarHBondContact CD2-O 3.22Å; S108-F114 WeakPolarHBondContact OG-CA 3.48Å; S108-F114 PolarHBondContact OG-N 3.17Å; S108-N117 PolarHBondContact OG-ND2 2.92Å; S108-N117 VanDerWaalsContact OG-ND2 3.13Å
109K80.7Confident87.6Confident187 Ų18760.5 Ų60.581%0.81334%0.335SS*.SBendtrans-92.9-12.1-177.6-64.8-176.6179.7-179.20113.7I107I107-K109 PolarHBondContact O-N 3.3Å
110N89.1Confident86.5Confident60 Ų6066 Ų6632%0.32136%0.361SS..SBendtrans-148.4160.7178.760.769.9000109.6Y73 S112 D113 F114Y73-N110 VanDerWaalsContact CE2-C 3.44Å; N110-S112 VanDerWaalsContact C-N 3.29Å; N110-S112 PolarHBondContact O-N 3.42Å; N110-S112 WeakPolarHBondContact OD1-CB 3.45Å; N110-S112 PolarHBondContact OD1-N 3.5Å; N110-D113 PolarHBondContact ND2-OD2 3.04Å; N110-D113 PolarHBondContact O-N 3.17Å; N110-D113 WeakPolarHBondContact OD1-CB 3.42Å; N110-D113 VanDerWaalsContact OD1-CG 3.27Å; N110-D113 PolarHBondContact OD1-N 3.25Å; N110-D113 PolarHBondContact OD1-OD2 2.98Å; N110-F114 PolarHBondContact O-N 2.64Å
111M89.7Confident85.4Confident56 Ų5665.7 Ų65.728%0.27635%0.352SS..Hα-helixtrans-60.8-36.9-179.3-172.660.180.600112.6I32 F64 Y73 D113 F114 L115I32-M111 HydrophobicContact CD1-CE 3.71Å; I32-M111 HydrophobicContact CD1-SD 3.41Å; I32-M111 WeakPolarHBondContact CD1-SD 3.37Å; I32-M111 HydrophobicContact CG1-CE 4.44Å; F64-M111 HydrophobicContact CE1-CE 4.3Å; Y73-M111 HydrophobicContact CD1-CE 4.08Å; Y73-M111 HydrophobicContact CD1-SD 4.36Å; Y73-M111 HydrophobicContact CE1-CE 3.67Å; Y73-M111 HydrophobicContact CE1-SD 4.3Å; M111-D113 PolarHBondContact O-N 2.76Å; M111-F114 WeakPolarHBondContact O-CB 3.33Å; M111-F114 PolarHBondContact O-N 3Å; M111-F114 HydrophobicContact SD-CD1 3.98Å; M111-L115 HydrophobicContact CG-CD1 4.13Å; M111-L115 HydrophobicContact CG-CG 4.24Å; M111-L115 WeakPolarHBondContact O-CG 3.39Å; M111-L115 PolarHBondContact O-N 3.46Å; M111-L115 HydrophobicContact SD-CG 4.29Å
112S89.8Confident84.3Confident91 Ų9166.5 Ų66.564%0.63634%0.338SS*.Hα-helixtrans-62.6-44.1-178.8-55.70000112.3N110 F114 L115 K116N110-S112 VanDerWaalsContact C-N 3.29Å; N110-S112 PolarHBondContact O-N 3.42Å; N110-S112 WeakPolarHBondContact OD1-CB 3.45Å; N110-S112 PolarHBondContact OD1-N 3.5Å; S112-F114 VanDerWaalsContact C-N 3.33Å; S112-L115 PolarHBondContact O-N 2.93Å; S112-K116 WeakPolarHBondContact O-CB 3.44Å; S112-K116 PolarHBondContact O-N 3.38Å
113D89.2Confident83.5Confident76 Ų7670.6 Ų70.641%0.40637%0.365SS..Hα-helixtrans-66.7-36.5176.2-68.8-21.7000111.5N110 M111 K116 N117N110-D113 PolarHBondContact ND2-OD2 3.04Å; N110-D113 PolarHBondContact O-N 3.17Å; N110-D113 WeakPolarHBondContact OD1-CB 3.42Å; N110-D113 VanDerWaalsContact OD1-CG 3.27Å; N110-D113 PolarHBondContact OD1-N 3.25Å; N110-D113 PolarHBondContact OD1-OD2 2.98Å; M111-D113 PolarHBondContact O-N 2.76Å; D113-K116 PolarHBondContact O-N 2.97Å; D113-N117 PolarHBondContact O-N 3.05Å; D113-N117 PolarHBondContact O-ND2 3.36Å
114F90.8Very high83.3Confident0 Ų071.6 Ų71.60%037%0.37CS..Hα-helixtrans-63-47.4174.6-179.5-106.4000112.1V26 I32 F64 T66 S71 Y73 S108 N110 M111 S112 K116 N117 F118V26-F114 HydrophobicContact CB-CE1 4.44Å; V26-F114 HydrophobicContact CB-CZ 4.44Å; V26-F114 HydrophobicContact CG2-CE1 4.1Å; V26-F114 HydrophobicContact CG2-CZ 4.16Å; I32-F114 HydrophobicContact CD1-CD1 4.12Å; I32-F114 HydrophobicContact CD1-CE1 3.87Å; F64-F114 HydrophobicContact CB-CE1 4.37Å; F64-F114 HydrophobicContact CB-CE2 4.37Å; F64-F114 HydrophobicContact CB-CZ 4.01Å; T66-F114 HydrophobicContact CG2-CE1 4.48Å; T66-F114 HydrophobicContact CG2-CE2 3.69Å; T66-F114 HydrophobicContact CG2-CZ 3.64Å; S71-F114 WeakPolarHBondContact O-CE2 3.49Å; Y73-F114 HydrophobicContact CG-CB 4.15Å; Y73-F114 HydrophobicContact CG-CD2 4.44Å; Y73-F114 HydrophobicContact CG-CG 4.25Å; S108-F114 WeakPolarHBondContact OG-CA 3.48Å; S108-F114 PolarHBondContact OG-N 3.17Å; N110-F114 PolarHBondContact O-N 2.64Å; M111-F114 WeakPolarHBondContact O-CB 3.33Å; M111-F114 PolarHBondContact O-N 3Å; M111-F114 HydrophobicContact SD-CD1 3.98Å; S112-F114 VanDerWaalsContact C-N 3.33Å; F114-K116 VanDerWaalsContact C-N 3.33Å; F114-K116 PolarHBondContact O-N 3.38Å; F114-N117 WeakPolarHBondContact O-CB 3.19Å; F114-N117 PolarHBondContact O-N 3.23Å; F114-F118 PolarHBondContact O-N 2.9Å
115L87.7Confident83.4Confident39 Ų3971.9 Ų71.920%0.20437%0.37CS..Hα-helixtrans-66.5-34.8177.7-66.9-178.7000112.2K29 I32 M111 S112 F118 D119K29-L115 HydrophobicContact CG-CD2 4.01Å; I32-L115 HydrophobicContact CD1-CD2 4.21Å; M111-L115 HydrophobicContact CG-CD1 4.13Å; M111-L115 HydrophobicContact CG-CG 4.24Å; M111-L115 WeakPolarHBondContact O-CG 3.39Å; M111-L115 PolarHBondContact O-N 3.46Å; M111-L115 HydrophobicContact SD-CG 4.29Å; S112-L115 PolarHBondContact O-N 2.93Å; L115-F118 VanDerWaalsContact O-CB 3.26Å; L115-F118 WeakPolarHBondContact O-CB 3.39Å; L115-F118 PolarHBondContact O-N 2.91Å; L115-D119 PolarHBondContact O-N 3.41Å; L115-D119 VanDerWaalsContact O-N 3.16Å
116K84.7Confident83.7Confident124 Ų12470.8 Ų70.854%0.53937%0.367SS..Hα-helixtrans-62.8-44.1172.4-175179.8173.6-174.30111.7S112 D113 F114 F118 D119 E120S112-K116 WeakPolarHBondContact O-CB 3.44Å; S112-K116 PolarHBondContact O-N 3.38Å; D113-K116 PolarHBondContact O-N 2.97Å; F114-K116 VanDerWaalsContact C-N 3.33Å; F114-K116 PolarHBondContact O-N 3.38Å; K116-F118 PolarHBondContact O-N 3.43Å; K116-D119 PolarHBondContact O-N 3.45Å; K116-E120 WeakPolarHBondContact CE-OE1 3.28Å; K116-E120 PolarHBondContact O-N 3.49Å; K116-E120 VanDerWaalsContact O-N 3.09Å
117N78.8Confident84Confident45 Ų4565.8 Ų65.824%0.24134%0.336CS..Hα-helixtrans-62.7-32.6174.9-78.2-34.8000112.5S108 D113 F114 K121S108-N117 PolarHBondContact OG-ND2 2.92Å; S108-N117 VanDerWaalsContact OG-ND2 3.13Å; D113-N117 PolarHBondContact O-N 3.05Å; D113-N117 PolarHBondContact O-ND2 3.36Å; F114-N117 WeakPolarHBondContact O-CB 3.19Å; F114-N117 PolarHBondContact O-N 3.23Å; N117-K121 VanDerWaalsContact O-CB 3.31Å; N117-K121 WeakPolarHBondContact O-CB 3.25Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 2.86Å; N117-K121 VanDerWaalsContact O-N 3.11Å
118F80.1Confident84.2Confident10 Ų1065.4 Ų65.44%0.04434%0.341CS..Hα-helixtrans-61.4-47174.8-167.3-82.2000111V26 K29 T66 F114 L115 K116 F122V26-F118 HydrophobicContact CG1-CD2 4.48Å; V26-F118 HydrophobicContact CG1-CE2 4.01Å; K29-F118 HydrophobicContact CB-CD1 4.29Å; K29-F118 HydrophobicContact CB-CE1 4.14Å; T66-F118 HydrophobicContact CG2-CD2 3.77Å; F114-F118 PolarHBondContact O-N 2.9Å; L115-F118 VanDerWaalsContact O-CB 3.26Å; L115-F118 WeakPolarHBondContact O-CB 3.39Å; L115-F118 PolarHBondContact O-N 2.91Å; K116-F118 PolarHBondContact O-N 3.43Å; F118-F122 HydrophobicContact CE1-CD2 4.45Å; F118-F122 HydrophobicContact CE1-CE2 4.34Å; F118-F122 PolarHBondContact O-N 3.31Å
119D75.1Confident84.6Confident90 Ų9068.1 Ų68.148%0.48136%0.357SS..Hα-helixtrans-68.3-37.9-179-63.9-27.4000111.8K29 L115 K116K29-D119 IonicContact NZ-OD1 3.69Å; K29-D119 IonicContact NZ-OD2 3.56Å; K29-D119 PolarHBondContact NZ-OD2 2.99Å; L115-D119 PolarHBondContact O-N 3.41Å; L115-D119 VanDerWaalsContact O-N 3.16Å; K116-D119 PolarHBondContact O-N 3.45Å
120E70.9Confident85.4Confident116 Ų11662.4 Ų62.454%0.54234%0.335SS..Hα-helixtrans-73.1-32.4179.6-71.1178.5-174.900113.7K116K116-E120 WeakPolarHBondContact CE-OE1 3.28Å; K116-E120 PolarHBondContact O-N 3.49Å; K116-E120 VanDerWaalsContact O-N 3.09Å
121K65.7Low85.8Confident58 Ų5865 Ų6525%0.25234%0.341SS..Hα-helixtrans-96.66.7-172.6-70.3179.8177.8166.40115.1S69 S71 N117 T123 F124S69-K121 WeakPolarHBondContact OG-CD 3.34Å; S71-K121 WeakPolarHBondContact OG-CD 3.43Å; S71-K121 PolarHBondContact OG-NZ 2.83Å; N117-K121 VanDerWaalsContact O-CB 3.31Å; N117-K121 WeakPolarHBondContact O-CB 3.25Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 2.86Å; N117-K121 VanDerWaalsContact O-N 3.11Å; K121-T123 PolarHBondContact O-N 3.42Å; K121-F124 PolarHBondContact O-N 2.97Å
122F64.3Low86.2Confident77 Ų7765.6 Ų65.634%0.33834%0.34SS..THydrogen-bonded Turntrans-57.8-8.6176.6-150.4-111.2000115F118 T200 K206F118-F122 HydrophobicContact CE1-CD2 4.45Å; F118-F122 HydrophobicContact CE1-CE2 4.34Å; F118-F122 PolarHBondContact O-N 3.31Å; F122-T200 HydrophobicContact CD1-CG2 3.87Å; F122-T200 HydrophobicContact CE1-CG2 3.95Å; F122-K206 HydrophobicContact CE1-CD 4.44Å; F122-K206 VanDerWaalsContact CE1-NZ 3.34Å; F122-K206 HydrophobicContact CE2-CD 4.45Å; F122-K206 HydrophobicContact CZ-CD 4.17Å
123T74.5Confident86.6Confident119 Ų11965.3 Ų65.373%0.7333%0.332SS*.THydrogen-bonded Turntrans-89.55.1175.756.60000113.9K121 T125K121-T123 PolarHBondContact O-N 3.42Å; T123-T125 PolarHBondContact O-N 2.98Å
124F87.8Confident87Confident27 Ų2762.3 Ų62.312%0.11832%0.315CS..  trans-53.8128.7-179.9174-95.4000112D68 K121 P126 Y127 Y163 Y194D68-F124 HydrophobicContact CB-CB 4.03Å; D68-F124 HydrophobicContact CB-CD1 3.83Å; D68-F124 HydrophobicContact CB-CG 4.07Å; K121-F124 PolarHBondContact O-N 2.97Å; F124-P126 HydrophobicContact CE1-CG 4.17Å; F124-Y127 HydrophobicContact CE2-CD2 4.33Å; F124-Y127 AromaticContact CE2-CE2 3.81Å; F124-Y127 HydrophobicContact CE2-CE2 3.81Å; F124-Y163 HydrophobicContact CE2-CD1 4.36Å; F124-Y163 HydrophobicContact CE2-CD2 4.45Å; F124-Y163 HydrophobicContact CE2-CE1 4.01Å; F124-Y163 HydrophobicContact CE2-CE2 4.16Å; F124-Y163 AromaticContact CE2-CZ 3.94Å; F124-Y163 HydrophobicContact CZ-CD1 4.46Å; F124-Y163 AromaticContact CZ-CE1 3.73Å; F124-Y163 HydrophobicContact CZ-CE1 3.73Å; F124-Y163 HydrophobicContact CZ-CE2 4.34Å; F124-Y163 AromaticContact CZ-CZ 3.69Å; F124-Y194 HydrophobicContact CE1-CD1 4.49Å; F124-Y194 AromaticContact CE1-CE1 3.88Å; F124-Y194 HydrophobicContact CE1-CE1 3.88Å; F124-Y194 HydrophobicContact CZ-CE1 4.01Å
125T90.9Very high87.2Confident93 Ų9367.4 Ų67.457%0.57134%0.338SS*.  trans-121.3136.5169.7530000109.4T123 Y127T123-T125 PolarHBondContact O-N 2.98Å; T125-Y127 PolarHBondContact O-N 3.33Å
126P95.2Very high87.4Confident12 Ų1267.3 Ų67.38%0.07834%0.338CS..  trans-55.6137176-29.736.6000112.4F124 F148 Y194 Y207F124-P126 HydrophobicContact CE1-CG 4.17Å; P126-F148 HydrophobicContact CB-CB 4.48Å; P126-F148 HydrophobicContact CB-CD1 3.71Å; P126-F148 HydrophobicContact CB-CD2 3.62Å; P126-F148 HydrophobicContact CB-CE1 3.71Å; P126-F148 HydrophobicContact CB-CE2 3.61Å; P126-F148 HydrophobicContact CB-CG 3.67Å; P126-F148 HydrophobicContact CB-CZ 3.65Å; P126-F148 HydrophobicContact CG-CD2 4.13Å; P126-F148 HydrophobicContact CG-CE1 4.36Å; P126-F148 HydrophobicContact CG-CE2 3.7Å; P126-F148 HydrophobicContact CG-CZ 3.84Å; P126-Y194 HydrophobicContact CB-CD2 4.1Å; P126-Y194 HydrophobicContact CB-CE2 3.62Å; P126-Y194 HydrophobicContact CG-CD1 4.45Å; P126-Y194 HydrophobicContact CG-CD2 4.03Å; P126-Y194 HydrophobicContact CG-CE1 4.41Å; P126-Y194 HydrophobicContact CG-CE2 3.99Å; P126-Y194 HydrophobicContact CG-CG 4.26Å; P126-Y207 HydrophobicContact CG-CD1 3.83Å; P126-Y207 HydrophobicContact CG-CD2 3.54Å; P126-Y207 HydrophobicContact CG-CE1 4.15Å; P126-Y207 HydrophobicContact CG-CE2 3.88Å; P126-Y207 HydrophobicContact CG-CG 3.48Å; P126-Y207 VanDerWaalsContact CG-CG 3.48Å
127Y96.6Very high87.5Confident56 Ų5667.3 Ų67.322%0.2234%0.341CS..SBendtrans-74.1148.1177.6-60.6-85.1000112.1F124 T125 K159 F160 Y163 M192F124-Y127 HydrophobicContact CE2-CD2 4.33Å; F124-Y127 AromaticContact CE2-CE2 3.81Å; F124-Y127 HydrophobicContact CE2-CE2 3.81Å; T125-Y127 PolarHBondContact O-N 3.33Å; Y127-K159 HydrophobicContact CD1-CB 4.5Å; Y127-K159 HydrophobicContact CE1-CB 3.59Å; Y127-F160 HydrophobicContact CD1-CB 3.98Å; Y127-F160 HydrophobicContact CD2-CB 4.15Å; Y127-F160 HydrophobicContact CD2-CD2 4.04Å; Y127-F160 HydrophobicContact CG-CB 3.73Å; Y127-F160 HydrophobicContact CG-CD2 4.16Å; Y127-F160 HydrophobicContact CG-CG 4.44Å; Y127-Y163 AromaticContact CD2-CD1 3.64Å; Y127-Y163 HydrophobicContact CD2-CD1 3.64Å; Y127-Y163 HydrophobicContact CD2-CE1 4.31Å; Y127-Y163 HydrophobicContact CD2-CG 4.29Å; Y127-Y163 AromaticContact CE2-CD1 3.59Å; Y127-Y163 HydrophobicContact CE2-CD1 3.59Å; Y127-Y163 HydrophobicContact CE2-CE1 4.4Å; Y127-Y163 AromaticContact CE2-CG 3.78Å; Y127-Y163 HydrophobicContact CE2-CG 3.78Å; Y127-M192 WeakPolarHBondContact O-CE 3.35Å
128G97.2Very high87.5Confident27 Ų2769 Ų6928%0.27835%0.346SS..SBendtrans86.4-155.1175.400000114F149G128-F149 CarbonylContact C-O 3.59Å; G128-F149 VanDerWaalsContact CA-O 3.28Å; G128-F149 WeakPolarHBondContact CA-O 3.45Å
129V97.5Very high87.6Confident68 Ų6875 Ų7541%0.41238%0.379SS..EExtended strand (participates in β ladder)trans-102137.6-178.9-65.50000110.6R131 F148 F149 M154V129-R131 PolarHBondContact O-N 3.12Å; V129-R131 VanDerWaalsContact O-N 3.14Å; V129-F148 CarbonylContact O-C 3.46Å; V129-F148 VanDerWaalsContact O-CA 3.27Å; V129-F148 WeakPolarHBondContact O-CA 3.39Å; V129-F149 HydrophobicContact CG2-CB 4.16Å; V129-F149 HydrophobicContact CG2-CD1 4.23Å; V129-F149 PolarHBondContact N-O 2.97Å; V129-F149 PolarHBondContact O-N 3.41Å; V129-M154 HydrophobicContact CB-CE 4.26Å; V129-M154 HydrophobicContact CG1-CE 3.63Å; V129-M154 HydrophobicContact CG2-CE 4.02Å
130N97.6Very high87.8Confident66 Ų6682.2 Ų82.235%0.35340%0.399SS..EExtended strand (participates in β ladder)trans-65.6114.2169.5-175.4-70.4000108.6N133 F148N130-N133 PolarHBondContact ND2-OD1 3.36Å; N130-N133 PolarHBondContact OD1-ND2 3.09Å; N130-N133 PolarHBondContact OD1-OD1 3.46Å; N130-F148 HydrophobicContact CB-CD1 4.2Å; N130-F148 HydrophobicContact CB-CE1 3.76Å; N130-F148 HydrophobicContact CB-CZ 3.95Å
131R97.6Very high88.5Confident116 Ų11680.4 Ų80.444%0.43840%0.399SS..EExtended strand (participates in β ladder)trans-97-38.3-172-159.967.8179.1159.12.4112.4V129 I147 F149 T250 D254V129-R131 PolarHBondContact O-N 3.12Å; V129-R131 VanDerWaalsContact O-N 3.14Å; R131-I147 WeakPolarHBondContact CB-O 3.48Å; R131-I147 PolarHBondContact N-O 3.07Å; R131-F149 HydrophobicContact CB-CB 4.13Å; R131-F149 HydrophobicContact CG-CB 4.27Å; R131-T250 HydrophobicContact CB-CG2 4.04Å; R131-T250 HydrophobicContact CG-CG2 3.62Å; R131-D254 IonicContact CZ-OD1 2.63Å; R131-D254 IonicContact CZ-OD2 3.09Å; R131-D254 IonicContact NE-OD1 3.39Å; R131-D254 PolarHBondContact NE-OD1 2.97Å; R131-D254 IonicContact NE-OD2 2.73Å; R131-D254 PolarHBondContact NE-OD2 3.3Å; R131-D254 IonicContact NH2-OD1 2.94Å; R131-D254 PolarHBondContact NH2-OD1 2.87Å; R131-D254 IonicContact NH2-OD2 3.85Å
132Y98Very high89.7Confident67 Ų6783.1 Ų83.126%0.26341%0.413SS..EExtended strand (participates in β ladder)trans-156.3144.3178.6-172.9-125.8000111.8Y134 I147 R253Y132-Y134 HydrophobicContact CD1-CD1 4.1Å; Y132-Y134 HydrophobicContact CE1-CD1 4.16Å; Y132-Y134 HydrophobicContact CE1-CG 4.34Å; Y132-I147 HydrophobicContact CD1-CD1 4.48Å; Y132-I147 PolarHBondContact N-O 3.4Å; Y132-I147 PolarHBondContact O-N 3.12Å; Y132-R253 VanDerWaalsContact CZ-NH1 3.31Å; Y132-R253 PolarHBondContact OH-NH2 3.27Å
133N97.9Very high91.1Very high85 Ų8582.8 Ų82.846%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-121.6138.8172.6-58-71.3000109.1N130 F145 S146N130-N133 PolarHBondContact ND2-OD1 3.36Å; N130-N133 PolarHBondContact OD1-ND2 3.09Å; N130-N133 PolarHBondContact OD1-OD1 3.46Å; N133-F145 WeakPolarHBondContact CA-O 3.43Å; N133-S146 VanDerWaalsContact OD1-CB 3.29Å; N133-S146 WeakPolarHBondContact OD1-CB 3.29Å; N133-S146 PolarHBondContact OD1-OG 3.44Å
134Y97.3Very high92.2Very high14 Ų1482.3 Ų82.36%0.05540%0.399CS..EExtended strand (participates in β ladder)trans-145.6170.6176.669.3-86.6000110.5Y132 I136 F145 I147 I193 H243 Q246Y132-Y134 HydrophobicContact CD1-CD1 4.1Å; Y132-Y134 HydrophobicContact CE1-CD1 4.16Å; Y132-Y134 HydrophobicContact CE1-CG 4.34Å; Y134-I136 HydrophobicContact CD2-CD1 4.41Å; Y134-I136 HydrophobicContact CD2-CG1 4.01Å; Y134-I136 HydrophobicContact CE2-CD1 3.79Å; Y134-I136 HydrophobicContact CE2-CG1 3.84Å; Y134-F145 HydrophobicContact CD1-CB 4.13Å; Y134-F145 HydrophobicContact CD2-CB 4.23Å; Y134-F145 HydrophobicContact CD2-CD2 4.12Å; Y134-F145 HydrophobicContact CE1-CB 3.56Å; Y134-F145 HydrophobicContact CE1-CG 4.42Å; Y134-F145 HydrophobicContact CE2-CB 3.63Å; Y134-F145 AromaticContact CE2-CD2 3.48Å; Y134-F145 HydrophobicContact CE2-CD2 3.48Å; Y134-F145 VanDerWaalsContact CE2-CD2 3.48Å; Y134-F145 HydrophobicContact CE2-CE2 4.34Å; Y134-F145 AromaticContact CE2-CG 3.7Å; Y134-F145 HydrophobicContact CE2-CG 3.7Å; Y134-F145 HydrophobicContact CG-CB 4.43Å; Y134-F145 AromaticContact CZ-CD2 3.94Å; Y134-F145 AromaticContact CZ-CG 3.63Å; Y134-F145 PolarHBondContact N-O 2.83Å; Y134-F145 PolarHBondContact O-N 2.93Å; Y134-F145 VanDerWaalsContact OH-CB 3.27Å; Y134-F145 WeakPolarHBondContact OH-CB 3.47Å; Y134-F145 WeakPolarHBondContact OH-CG 3.27Å; Y134-I147 HydrophobicContact CD1-CD1 4.41Å; Y134-I147 HydrophobicContact CE1-CD1 4.01Å; Y134-I147 HydrophobicContact CE1-CG1 4.15Å; Y134-I193 HydrophobicContact CE1-CD1 3.98Å; Y134-I193 WeakPolarHBondContact OH-CD1 3.22Å; Y134-H243 AromaticContact CE2-ND1 3.89Å; Y134-H243 AromaticContact CZ-ND1 3.72Å; Y134-H243 PolarHBondContact OH-CE1 3.48Å; Y134-H243 PolarHBondContact OH-ND1 3.05Å; Y134-Q246 HydrophobicContact CD1-CB 4.11Å; Y134-Q246 HydrophobicContact CD1-CG 4.01Å; Y134-Q246 HydrophobicContact CD2-CG 4Å; Y134-Q246 HydrophobicContact CE1-CB 3.77Å; Y134-Q246 HydrophobicContact CE1-CG 3.89Å; Y134-Q246 HydrophobicContact CE2-CG 3.94Å; Y134-Q246 HydrophobicContact CG-CG 4.07Å
135Q95.7Very high92.7Very high106 Ų10681.3 Ų81.350%0.49539%0.394SS..EExtended strand (participates in β ladder)trans-136.4145-175.8-59.4173.9-20.500109.6Q142 K143 K144Q135-Q142 HydrophobicContact CB-CG 4.36Å; Q135-Q142 VanDerWaalsContact CD-NE2 3.29Å; Q135-K143 VanDerWaalsContact CA-O 3.25Å; Q135-K143 WeakPolarHBondContact CA-O 3.21Å; Q135-K144 HydrophobicContact CG-CB 4.39Å; Q135-K144 HydrophobicContact CG-CG 4.01Å
136I92.7Very high93Very high37 Ų3777.4 Ų77.419%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-126.2132.2175.5-57.8-176.8000107.9Y134 K143 F145 N241Y134-I136 HydrophobicContact CD2-CD1 4.41Å; Y134-I136 HydrophobicContact CD2-CG1 4.01Å; Y134-I136 HydrophobicContact CE2-CD1 3.79Å; Y134-I136 HydrophobicContact CE2-CG1 3.84Å; I136-K143 PolarHBondContact N-O 2.91Å; I136-K143 PolarHBondContact O-N 3.24Å; I136-F145 HydrophobicContact CB-CE2 4.03Å; I136-F145 HydrophobicContact CD1-CE2 4.16Å; I136-F145 HydrophobicContact CG1-CD2 4.31Å; I136-F145 HydrophobicContact CG1-CE2 4.03Å; I136-N241 HydrophobicContact CD1-CB 4.31Å; I136-N241 WeakPolarHBondContact CD1-O 3.3Å
137M86.8Confident93.2Very high125 Ų12576.8 Ų76.862%0.61637%0.367SS*.EExtended strand (participates in β ladder)trans-82.3113.6167.1-68.2-59.2-63.900108.5Q142M137-Q142 HydrophobicContact SD-CB 3.67Å; M137-Q142 HydrophobicContact SD-CG 3.92Å
138K79.2Confident93.3Very high79 Ų7974.9 Ų74.934%0.34336%0.36SS..EExtended strand (participates in β ladder)trans-131.4128.6174.9-174.3176.1177.6177.80108.4R140 C141K138-R140 PolarHBondContact O-N 3.32Å; K138-R140 VanDerWaalsContact O-N 3.14Å; K138-C141 PolarHBondContact N-O 3.48Å; K138-C141 CarbonylContact O-C 3.4Å; K138-C141 WeakPolarHBondContact O-CA 3.45Å; K138-C141 PolarHBondContact O-N 2.9Å
139D80.9Confident93.3Very high136 Ų13674.5 Ų74.573%0.72735%0.35SS*.THydrogen-bonded Turntrans52.937.8178.5-51-37.8000113.9C141D139-C141 PolarHBondContact O-N 3.21Å; D139-C141 VanDerWaalsContact O-N 3.12Å
140R80.6Confident93.4Very high242 Ų24271.3 Ų71.391%0.91333%0.331SS*.THydrogen-bonded Turntrans64.44.4-174.7-49.7178.3-178.3-178.80.4115K138K138-R140 PolarHBondContact O-N 3.32Å; K138-R140 VanDerWaalsContact O-N 3.14Å
141C85.6Confident93.3Very high79 Ų7970.9 Ų70.953%0.53433%0.327SS..EExtended strand (participates in β ladder)trans-100.3134.6172.3-65.60000110.6K138 D139 K143K138-C141 PolarHBondContact N-O 3.48Å; K138-C141 CarbonylContact O-C 3.4Å; K138-C141 WeakPolarHBondContact O-CA 3.45Å; K138-C141 PolarHBondContact O-N 2.9Å; D139-C141 PolarHBondContact O-N 3.21Å; D139-C141 VanDerWaalsContact O-N 3.12Å; C141-K143 PolarHBondContact O-N 3.44Å
142Q90.2Very high93.3Very high115 Ų11569.9 Ų69.954%0.53733%0.327SS..EExtended strand (participates in β ladder)trans-86.8110176.2-170.9174.82.200109.3Q135 M137Q135-Q142 HydrophobicContact CB-CG 4.36Å; Q135-Q142 VanDerWaalsContact CD-NE2 3.29Å; M137-Q142 HydrophobicContact SD-CB 3.67Å; M137-Q142 HydrophobicContact SD-CG 3.92Å
143K94.1Very high93.1Very high70 Ų7069.9 Ų69.930%0.30435%0.347SS..EExtended strand (participates in β ladder)trans-96.3132.9175-68.6-175.9166.3-131.60109.8Q135 I136 C141 F145 E195Q135-K143 VanDerWaalsContact CA-O 3.25Å; Q135-K143 WeakPolarHBondContact CA-O 3.21Å; I136-K143 PolarHBondContact N-O 2.91Å; I136-K143 PolarHBondContact O-N 3.24Å; C141-K143 PolarHBondContact O-N 3.44Å; K143-F145 HydrophobicContact CB-CE2 3.55Å; K143-F145 HydrophobicContact CB-CZ 3.72Å; K143-F145 HydrophobicContact CD-CZ 4.39Å; K143-F145 WeakPolarHBondContact O-CE2 3.23Å; K143-E195 WeakPolarHBondContact CD-OE1 3.39Å; K143-E195 WeakPolarHBondContact CE-OE1 3.37Å; K143-E195 IonicContact NZ-OE1 2.71Å; K143-E195 PolarHBondContact NZ-OE1 2.93Å; K143-E195 IonicContact NZ-OE2 3.21Å
144K96.8Very high93.1Very high108 Ų10867.4 Ų67.447%0.4733%0.333SS..EExtended strand (participates in β ladder)trans-103.8140179.9-54.7-176.1178.3172.10109.5Q135 N196Q135-K144 HydrophobicContact CG-CB 4.39Å; Q135-K144 HydrophobicContact CG-CG 4.01Å; K144-N196 HydrophobicContact CB-CB 4.08Å; K144-N196 PolarHBondContact O-N 3.42Å
145F97.9Very high93.1Very high7 Ų772.6 Ų72.63%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-134.4151.5-177.9-58.5-89.9000110.9N133 Y134 I136 K143 Y194 E195 I210 H243N133-F145 WeakPolarHBondContact CA-O 3.43Å; Y134-F145 HydrophobicContact CD1-CB 4.13Å; Y134-F145 HydrophobicContact CD2-CB 4.23Å; Y134-F145 HydrophobicContact CD2-CD2 4.12Å; Y134-F145 HydrophobicContact CE1-CB 3.56Å; Y134-F145 HydrophobicContact CE1-CG 4.42Å; Y134-F145 HydrophobicContact CE2-CB 3.63Å; Y134-F145 AromaticContact CE2-CD2 3.48Å; Y134-F145 HydrophobicContact CE2-CD2 3.48Å; Y134-F145 VanDerWaalsContact CE2-CD2 3.48Å; Y134-F145 HydrophobicContact CE2-CE2 4.34Å; Y134-F145 AromaticContact CE2-CG 3.7Å; Y134-F145 HydrophobicContact CE2-CG 3.7Å; Y134-F145 HydrophobicContact CG-CB 4.43Å; Y134-F145 AromaticContact CZ-CD2 3.94Å; Y134-F145 AromaticContact CZ-CG 3.63Å; Y134-F145 PolarHBondContact N-O 2.83Å; Y134-F145 PolarHBondContact O-N 2.93Å; Y134-F145 VanDerWaalsContact OH-CB 3.27Å; Y134-F145 WeakPolarHBondContact OH-CB 3.47Å; Y134-F145 WeakPolarHBondContact OH-CG 3.27Å; I136-F145 HydrophobicContact CB-CE2 4.03Å; I136-F145 HydrophobicContact CD1-CE2 4.16Å; I136-F145 HydrophobicContact CG1-CD2 4.31Å; I136-F145 HydrophobicContact CG1-CE2 4.03Å; K143-F145 HydrophobicContact CB-CE2 3.55Å; K143-F145 HydrophobicContact CB-CZ 3.72Å; K143-F145 HydrophobicContact CD-CZ 4.39Å; K143-F145 WeakPolarHBondContact O-CE2 3.23Å; F145-Y194 CarbonylContact C-O 3.6Å; F145-Y194 WeakPolarHBondContact CA-O 3.33Å; F145-E195 HydrophobicContact CD1-CB 3.9Å; F145-E195 HydrophobicContact CD1-CG 4.23Å; F145-E195 HydrophobicContact CE1-CB 3.74Å; F145-E195 HydrophobicContact CE1-CG 3.79Å; F145-E195 HydrophobicContact CZ-CG 4.33Å; F145-I210 HydrophobicContact CD1-CD1 3.68Å; F145-I210 HydrophobicContact CE1-CD1 3.89Å; F145-H243 AromaticContact CD1-CE1 3.86Å; F145-H243 AromaticContact CE1-CE1 3.47Å; F145-H243 VanDerWaalsContact CE1-CE1 3.47Å; F145-H243 WeakPolarHBondContact CE1-CE1 3.25Å; F145-H243 AromaticContact CE1-NE2 3.81Å; F145-H243 AromaticContact CE2-CE1 3.84Å; F145-H243 AromaticContact CZ-CE1 3.47Å; F145-H243 VanDerWaalsContact CZ-CE1 3.47Å; F145-H243 WeakPolarHBondContact CZ-CE1 3.36Å; F145-H243 AromaticContact CZ-NE2 3.91Å
146S98.2Very high93Very high10 Ų1068.9 Ų68.97%0.0736%0.358CS..EExtended strand (participates in β ladder)trans-133.8131.5-178.6-62.10000110.2N133 I193 Y194N133-S146 VanDerWaalsContact OD1-CB 3.29Å; N133-S146 WeakPolarHBondContact OD1-CB 3.29Å; N133-S146 PolarHBondContact OD1-OG 3.44Å; S146-I193 WeakPolarHBondContact O-CA 3.41Å; S146-Y194 PolarHBondContact N-O 3.44Å; S146-Y194 PolarHBondContact O-N 3.5Å
147I98.6Very high93.2Very high0 Ų067.4 Ų67.40%035%0.351CS..EExtended strand (participates in β ladder)trans-103.4123.3172.1-62.6170000107.7R131 Y132 Y134 Y191 M192 I193 Q246 L247 T250R131-I147 WeakPolarHBondContact CB-O 3.48Å; R131-I147 PolarHBondContact N-O 3.07Å; Y132-I147 HydrophobicContact CD1-CD1 4.48Å; Y132-I147 PolarHBondContact N-O 3.4Å; Y132-I147 PolarHBondContact O-N 3.12Å; Y134-I147 HydrophobicContact CD1-CD1 4.41Å; Y134-I147 HydrophobicContact CE1-CD1 4.01Å; Y134-I147 HydrophobicContact CE1-CG1 4.15Å; I147-Y191 HydrophobicContact CG2-CD1 4.09Å; I147-M192 CarbonylContact C-O 3.59Å; I147-M192 VanDerWaalsContact CA-O 3.29Å; I147-M192 WeakPolarHBondContact CA-O 3.3Å; I147-I193 HydrophobicContact CD1-CD1 4.37Å; I147-I193 HydrophobicContact CG1-CB 4.19Å; I147-I193 HydrophobicContact CG1-CD1 4.06Å; I147-I193 HydrophobicContact CG1-CG1 3.88Å; I147-Q246 HydrophobicContact CD1-CB 3.95Å; I147-L247 HydrophobicContact CD1-CD2 4.29Å; I147-L247 HydrophobicContact CG1-CD2 4.34Å; I147-L247 HydrophobicContact CG2-CD2 4.06Å; I147-T250 VanDerWaalsContact CD1-OG1 3.27Å; I147-T250 WeakPolarHBondContact CD1-OG1 3.29Å; I147-T250 HydrophobicContact CG2-CG2 4.02Å
148F98.6Very high93.6Very high16 Ų1667.6 Ų67.67%0.0735%0.35CS..EExtended strand (participates in β ladder)trans-105.1151.7174.3-75.1-104000110.2P126 V129 N130 Y191 M192 Y194 Y207P126-F148 HydrophobicContact CB-CB 4.48Å; P126-F148 HydrophobicContact CB-CD1 3.71Å; P126-F148 HydrophobicContact CB-CD2 3.62Å; P126-F148 HydrophobicContact CB-CE1 3.71Å; P126-F148 HydrophobicContact CB-CE2 3.61Å; P126-F148 HydrophobicContact CB-CG 3.67Å; P126-F148 HydrophobicContact CB-CZ 3.65Å; P126-F148 HydrophobicContact CG-CD2 4.13Å; P126-F148 HydrophobicContact CG-CE1 4.36Å; P126-F148 HydrophobicContact CG-CE2 3.7Å; P126-F148 HydrophobicContact CG-CZ 3.84Å; V129-F148 CarbonylContact O-C 3.46Å; V129-F148 VanDerWaalsContact O-CA 3.27Å; V129-F148 WeakPolarHBondContact O-CA 3.39Å; N130-F148 HydrophobicContact CB-CD1 4.2Å; N130-F148 HydrophobicContact CB-CE1 3.76Å; N130-F148 HydrophobicContact CB-CZ 3.95Å; F148-Y191 CarbonylContact O-C 3.57Å; F148-Y191 VanDerWaalsContact O-CA 3.3Å; F148-Y191 WeakPolarHBondContact O-CA 3.47Å; F148-M192 HydrophobicContact CB-CE 4.36Å; F148-M192 PolarHBondContact N-O 3.3Å; F148-M192 PolarHBondContact O-N 2.86Å; F148-Y194 HydrophobicContact CB-CE2 4.32Å; F148-Y194 AromaticContact CD2-CD2 3.76Å; F148-Y194 HydrophobicContact CD2-CD2 3.76Å; F148-Y194 AromaticContact CD2-CE2 3.95Å; F148-Y194 HydrophobicContact CD2-CE2 3.95Å; F148-Y194 HydrophobicContact CE2-CD2 4.3Å; F148-Y194 HydrophobicContact CG-CE2 4.38Å; F148-Y207 HydrophobicContact CE2-CE1 4.01Å; F148-Y207 HydrophobicContact CZ-CE1 4.34Å
149F98.6Very high94.3Very high19 Ų1970.4 Ų70.48%0.08336%0.362CS..EExtended strand (participates in β ladder)trans-125.5133.8178173.4-95.5000110.1G128 V129 R131 E151 M154 C189 Y190 Y191G128-F149 CarbonylContact C-O 3.59Å; G128-F149 VanDerWaalsContact CA-O 3.28Å; G128-F149 WeakPolarHBondContact CA-O 3.45Å; V129-F149 HydrophobicContact CG2-CB 4.16Å; V129-F149 HydrophobicContact CG2-CD1 4.23Å; V129-F149 PolarHBondContact N-O 2.97Å; V129-F149 PolarHBondContact O-N 3.41Å; R131-F149 HydrophobicContact CB-CB 4.13Å; R131-F149 HydrophobicContact CG-CB 4.27Å; F149-E151 HydrophobicContact CE1-CB 4.23Å; F149-E151 HydrophobicContact CE1-CG 3.9Å; F149-E151 HydrophobicContact CZ-CB 4.1Å; F149-E151 HydrophobicContact CZ-CG 4.15Å; F149-E151 WeakPolarHBondContact CZ-OE2 3.23Å; F149-M154 HydrophobicContact CD1-SD 4.17Å; F149-M154 HydrophobicContact CE1-SD 4.16Å; F149-C189 HydrophobicContact CE2-CB 3.73Å; F149-C189 HydrophobicContact CZ-CB 4.02Å; F149-Y190 WeakPolarHBondContact CA-O 3.42Å; F149-Y191 HydrophobicContact CB-CD1 4.34Å; F149-Y191 HydrophobicContact CB-CE1 4.26Å; F149-Y191 AromaticContact CD2-CD1 3.95Å; F149-Y191 HydrophobicContact CD2-CD1 3.95Å; F149-Y191 HydrophobicContact CD2-CD2 4.2Å; F149-Y191 AromaticContact CD2-CE1 3.5Å; F149-Y191 HydrophobicContact CD2-CE1 3.5Å; F149-Y191 VanDerWaalsContact CD2-CE1 3.5Å; F149-Y191 AromaticContact CD2-CE2 3.78Å; F149-Y191 HydrophobicContact CD2-CE2 3.78Å; F149-Y191 HydrophobicContact CD2-CG 4.28Å; F149-Y191 AromaticContact CD2-CZ 3.4Å; F149-Y191 HydrophobicContact CE2-CE1 4.27Å; F149-Y191 AromaticContact CE2-CE2 3.88Å; F149-Y191 HydrophobicContact CE2-CE2 3.88Å; F149-Y191 AromaticContact CE2-CZ 3.69Å; F149-Y191 HydrophobicContact CG-CE1 4.27Å
150I98.2Very high95Very high0 Ų063.9 Ų63.90%033%0.327CS..EExtended strand (participates in β ladder)trans-141.4146.7171.9-160.4173.4000111.7M154 F157 F160 Y190 M192I150-M154 HydrophobicContact CG1-CB 4.03Å; I150-M154 HydrophobicContact CG1-CE 4.42Å; I150-M154 HydrophobicContact CG1-SD 4.15Å; I150-F157 HydrophobicContact CD1-CB 4.31Å; I150-F157 HydrophobicContact CD1-CD2 4.17Å; I150-F157 HydrophobicContact CG1-CD2 4.05Å; I150-F160 HydrophobicContact CD1-CB 3.8Å; I150-F160 HydrophobicContact CD1-CD1 4.44Å; I150-F160 HydrophobicContact CD1-CG 4.06Å; I150-F160 HydrophobicContact CG2-CD1 3.64Å; I150-F160 HydrophobicContact CG2-CD2 3.86Å; I150-F160 HydrophobicContact CG2-CE1 3.66Å; I150-F160 HydrophobicContact CG2-CE2 3.88Å; I150-F160 HydrophobicContact CG2-CG 3.74Å; I150-F160 HydrophobicContact CG2-CZ 3.78Å; I150-Y190 HydrophobicContact CG2-CD2 4.34Å; I150-Y190 HydrophobicContact CG2-CG 4.48Å; I150-Y190 PolarHBondContact N-O 2.74Å; I150-Y190 PolarHBondContact O-N 3.28Å; I150-M192 HydrophobicContact CB-CE 4.3Å; I150-M192 HydrophobicContact CG2-CE 3.64Å; I150-M192 HydrophobicContact CG2-SD 4.04Å
151E96.8Very high95.7Very high57 Ų5753.8 Ų53.827%0.26629%0.291SS..EExtended strand (participates in β ladder)trans-145.7169.8175.265.5-176.5-173.200110.8F149 G153 M154 F157 C189 K217F149-E151 HydrophobicContact CE1-CB 4.23Å; F149-E151 HydrophobicContact CE1-CG 3.9Å; F149-E151 HydrophobicContact CZ-CB 4.1Å; F149-E151 HydrophobicContact CZ-CG 4.15Å; F149-E151 WeakPolarHBondContact CZ-OE2 3.23Å; E151-G153 PolarHBondContact O-N 3Å; E151-M154 HydrophobicContact CG-CG 3.99Å; E151-M154 HydrophobicContact CG-SD 3.74Å; E151-M154 PolarHBondContact N-SD 2.87Å; E151-M154 VanDerWaalsContact N-SD 3.4Å; E151-M154 WeakPolarHBondContact O-CB 3.29Å; E151-M154 PolarHBondContact O-N 3.45Å; E151-F157 VanDerWaalsContact C-CD2 3.48Å; E151-F157 VanDerWaalsContact O-CD2 3.31Å; E151-F157 WeakPolarHBondContact O-CD2 3.18Å; E151-C189 HydrophobicContact CB-CB 4.34Å; E151-C189 PolarHBondContact OE2-SG 3.09Å; E151-C189 VanDerWaalsContact OE2-SG 3.4Å; E151-K217 IonicContact OE2-NZ 3.47Å; E151-K217 PolarHBondContact OE2-NZ 3.36Å
152H96Very high96.1Very high96 Ų9655.8 Ų55.844%0.44429%0.293SS..THydrogen-bonded Turntrans-55.5135.2179.1-174.1-77000111.8F157 I186H152-F157 HydrophobicContact CB-CD1 4.47Å; H152-F157 HydrophobicContact CB-CE1 4.03Å; H152-F157 HydrophobicContact CB-CZ 4.09Å; H152-F157 AromaticContact CD2-CE1 3.73Å; H152-I186 HydrophobicContact CB-CB 4.1Å; H152-I186 HydrophobicContact CB-CG2 4.35Å
153G95.3Very high96.3Very high66 Ų6650.4 Ų50.468%0.6827%0.268SS*.THydrogen-bonded Turntrans89.6-6.9-178.800000114.9E151E151-G153 PolarHBondContact O-N 3Å
154M97.1Very high96.3Very high34 Ų3447.1 Ų47.117%0.16725%0.253CS..SBendtrans-78.6148.4170.7-67.4-178.261.600111.7V129 F149 I150 E151 G156 F157V129-M154 HydrophobicContact CB-CE 4.26Å; V129-M154 HydrophobicContact CG1-CE 3.63Å; V129-M154 HydrophobicContact CG2-CE 4.02Å; F149-M154 HydrophobicContact CD1-SD 4.17Å; F149-M154 HydrophobicContact CE1-SD 4.16Å; I150-M154 HydrophobicContact CG1-CB 4.03Å; I150-M154 HydrophobicContact CG1-CE 4.42Å; I150-M154 HydrophobicContact CG1-SD 4.15Å; E151-M154 HydrophobicContact CG-CG 3.99Å; E151-M154 HydrophobicContact CG-SD 3.74Å; E151-M154 PolarHBondContact N-SD 2.87Å; E151-M154 VanDerWaalsContact N-SD 3.4Å; E151-M154 WeakPolarHBondContact O-CB 3.29Å; E151-M154 PolarHBondContact O-N 3.45Å; M154-G156 PolarHBondContact O-N 3.21Å; M154-F157 WeakPolarHBondContact O-CB 3.28Å; M154-F157 PolarHBondContact O-N 3.08Å
155P96.9Very high96.2Very high123 Ų12346.1 Ų46.180%0.79925%0.249SC*.THydrogen-bonded Turntrans-55.8130.2175.8-2634.8000112.9
156G95.2Very high96Very high27 Ų2748 Ų4828%0.27826%0.256SS..THydrogen-bonded Turntrans84.17.9177.700000115.1M154 E158 K159 F160M154-G156 PolarHBondContact O-N 3.21Å; G156-E158 VanDerWaalsContact C-N 3.32Å; G156-E158 PolarHBondContact O-N 3.24Å; G156-K159 PolarHBondContact O-N 2.81Å; G156-F160 PolarHBondContact O-N 3.37Å
157F96.3Very high95.9Very high7 Ų747.6 Ų47.63%0.03125%0.253CS..Hα-helixtrans-58.3-40.3179.7-175.4-107000113I150 E151 H152 M154 K159 F160 L161 Y190I150-F157 HydrophobicContact CD1-CB 4.31Å; I150-F157 HydrophobicContact CD1-CD2 4.17Å; I150-F157 HydrophobicContact CG1-CD2 4.05Å; E151-F157 VanDerWaalsContact C-CD2 3.48Å; E151-F157 VanDerWaalsContact O-CD2 3.31Å; E151-F157 WeakPolarHBondContact O-CD2 3.18Å; H152-F157 HydrophobicContact CB-CD1 4.47Å; H152-F157 HydrophobicContact CB-CE1 4.03Å; H152-F157 HydrophobicContact CB-CZ 4.09Å; H152-F157 AromaticContact CD2-CE1 3.73Å; M154-F157 WeakPolarHBondContact O-CB 3.28Å; M154-F157 PolarHBondContact O-N 3.08Å; F157-K159 PolarHBondContact O-N 2.91Å; F157-F160 HydrophobicContact CD2-CD1 4.14Å; F157-F160 HydrophobicContact CE2-CD1 4.17Å; F157-F160 CarbonylContact O-C 3.47Å; F157-F160 WeakPolarHBondContact O-CA 3.42Å; F157-F160 VanDerWaalsContact O-CB 3.31Å; F157-F160 WeakPolarHBondContact O-CB 3.4Å; F157-F160 PolarHBondContact O-N 3.19Å; F157-F160 VanDerWaalsContact O-N 3.12Å; F157-L161 HydrophobicContact CD1-CD1 4.27Å; F157-L161 HydrophobicContact CD1-CG 4.36Å; F157-L161 HydrophobicContact CE1-CD1 3.83Å; F157-L161 HydrophobicContact CE1-CD2 4.11Å; F157-L161 HydrophobicContact CE1-CG 4.03Å; F157-L161 HydrophobicContact CE2-CD2 4.35Å; F157-L161 HydrophobicContact CZ-CD1 4.43Å; F157-L161 HydrophobicContact CZ-CD2 3.86Å; F157-L161 HydrophobicContact CZ-CG 4.26Å; F157-L161 WeakPolarHBondContact O-CG 3.34Å; F157-L161 PolarHBondContact O-N 3.38Å; F157-Y190 HydrophobicContact CE2-CD2 4.18Å; F157-Y190 AromaticContact CE2-CE2 3.85Å; F157-Y190 HydrophobicContact CE2-CE2 3.85Å; F157-Y190 HydrophobicContact CZ-CE2 4.13Å
158E94.6Very high95.6Very high129 Ų12949.5 Ų49.560%0.60326%0.262SS*.Hα-helixtrans-63.8-43.4-179.9-59.976.4-167.300111.4G156 F160 L161 E162G156-E158 VanDerWaalsContact C-N 3.32Å; G156-E158 PolarHBondContact O-N 3.24Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 3.27Å; E158-L161 PolarHBondContact O-N 2.89Å; E158-E162 PolarHBondContact O-N 3.18Å
159K94.3Very high95.4Very high137 Ų13748.9 Ų48.960%0.59626%0.259SS*.Hα-helixtrans-67.3-34.2174-66.9-176.1179.6-178.50111.7Y127 G156 F157 L161 E162 Y163Y127-K159 HydrophobicContact CD1-CB 4.5Å; Y127-K159 HydrophobicContact CE1-CB 3.59Å; G156-K159 PolarHBondContact O-N 2.81Å; F157-K159 PolarHBondContact O-N 2.91Å; K159-L161 VanDerWaalsContact C-N 3.32Å; K159-E162 PolarHBondContact O-N 3.31Å; K159-Y163 PolarHBondContact O-N 3.16Å
160F96.2Very high95.2Very high0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-62.3-39.2172.7165.5-98.6000111.6Y127 I150 G156 F157 E158 E162 Y163 H164 M167 Y190 M192Y127-F160 HydrophobicContact CD1-CB 3.98Å; Y127-F160 HydrophobicContact CD2-CB 4.15Å; Y127-F160 HydrophobicContact CD2-CD2 4.04Å; Y127-F160 HydrophobicContact CG-CB 3.73Å; Y127-F160 HydrophobicContact CG-CD2 4.16Å; Y127-F160 HydrophobicContact CG-CG 4.44Å; I150-F160 HydrophobicContact CD1-CB 3.8Å; I150-F160 HydrophobicContact CD1-CD1 4.44Å; I150-F160 HydrophobicContact CD1-CG 4.06Å; I150-F160 HydrophobicContact CG2-CD1 3.64Å; I150-F160 HydrophobicContact CG2-CD2 3.86Å; I150-F160 HydrophobicContact CG2-CE1 3.66Å; I150-F160 HydrophobicContact CG2-CE2 3.88Å; I150-F160 HydrophobicContact CG2-CG 3.74Å; I150-F160 HydrophobicContact CG2-CZ 3.78Å; G156-F160 PolarHBondContact O-N 3.37Å; F157-F160 HydrophobicContact CD2-CD1 4.14Å; F157-F160 HydrophobicContact CE2-CD1 4.17Å; F157-F160 CarbonylContact O-C 3.47Å; F157-F160 WeakPolarHBondContact O-CA 3.42Å; F157-F160 VanDerWaalsContact O-CB 3.31Å; F157-F160 WeakPolarHBondContact O-CB 3.4Å; F157-F160 PolarHBondContact O-N 3.19Å; F157-F160 VanDerWaalsContact O-N 3.12Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 3.27Å; F160-E162 VanDerWaalsContact C-N 3.28Å; F160-E162 PolarHBondContact O-N 3.33Å; F160-Y163 HydrophobicContact CD2-CD1 4.38Å; F160-Y163 CarbonylContact O-C 3.52Å; F160-Y163 WeakPolarHBondContact O-CA 3.32Å; F160-Y163 WeakPolarHBondContact O-CB 3.14Å; F160-Y163 PolarHBondContact O-N 3.31Å; F160-H164 HydrophobicContact CE1-CB 4.15Å; F160-H164 HydrophobicContact CZ-CB 4.07Å; F160-H164 WeakPolarHBondContact O-CB 3.49Å; F160-H164 PolarHBondContact O-N 3.45Å; F160-M167 HydrophobicContact CE2-CE 4.3Å; F160-Y190 HydrophobicContact CD1-CD2 4.49Å; F160-Y190 AromaticContact CE1-CD1 3.73Å; F160-Y190 HydrophobicContact CE1-CD1 3.73Å; F160-Y190 AromaticContact CE1-CD2 3.52Å; F160-Y190 HydrophobicContact CE1-CD2 3.52Å; F160-Y190 HydrophobicContact CE1-CE1 4.06Å; F160-Y190 AromaticContact CE1-CE2 3.91Å; F160-Y190 HydrophobicContact CE1-CE2 3.91Å; F160-Y190 AromaticContact CE1-CG 3.44Å; F160-Y190 HydrophobicContact CE1-CG 3.44Å; F160-Y190 VanDerWaalsContact CE1-CG 3.44Å; F160-Y190 AromaticContact CZ-CD1 3.63Å; F160-Y190 HydrophobicContact CZ-CD1 3.63Å; F160-Y190 HydrophobicContact CZ-CD2 4.05Å; F160-Y190 HydrophobicContact CZ-CE1 4.32Å; F160-Y190 AromaticContact CZ-CG 3.47Å; F160-Y190 HydrophobicContact CZ-CG 3.47Å; F160-Y190 VanDerWaalsContact CZ-CG 3.47Å; F160-M192 HydrophobicContact CD2-CE 3.85Å; F160-M192 HydrophobicContact CD2-SD 4.42Å; F160-M192 HydrophobicContact CE2-CE 3.51Å; F160-M192 HydrophobicContact CE2-CG 4.07Å; F160-M192 HydrophobicContact CE2-SD 3.5Å; F160-M192 VanDerWaalsContact CE2-SD 3.5Å; F160-M192 HydrophobicContact CZ-CE 4.33Å; F160-M192 HydrophobicContact CZ-SD 3.87Å
161L94.8Very high95Very high30 Ų3048 Ų4816%0.15726%0.256CS..Hα-helixtrans-61.4-35.9177.4-67.6-178.8000112.4F157 E158 K159 Y163 H164 K165 T183F157-L161 HydrophobicContact CD1-CD1 4.27Å; F157-L161 HydrophobicContact CD1-CG 4.36Å; F157-L161 HydrophobicContact CE1-CD1 3.83Å; F157-L161 HydrophobicContact CE1-CD2 4.11Å; F157-L161 HydrophobicContact CE1-CG 4.03Å; F157-L161 HydrophobicContact CE2-CD2 4.35Å; F157-L161 HydrophobicContact CZ-CD1 4.43Å; F157-L161 HydrophobicContact CZ-CD2 3.86Å; F157-L161 HydrophobicContact CZ-CG 4.26Å; F157-L161 WeakPolarHBondContact O-CG 3.34Å; F157-L161 PolarHBondContact O-N 3.38Å; E158-L161 PolarHBondContact O-N 2.89Å; K159-L161 VanDerWaalsContact C-N 3.32Å; L161-Y163 VanDerWaalsContact C-N 3.31Å; L161-Y163 PolarHBondContact O-N 3.21Å; L161-H164 PolarHBondContact O-N 3.02Å; L161-K165 WeakPolarHBondContact O-CG 3.37Å; L161-K165 PolarHBondContact O-N 2.68Å; L161-T183 HydrophobicContact CD2-CG2 3.95Å
162E93.2Very high94.8Very high120 Ų12046.9 Ų46.956%0.56125%0.251SS*.Hα-helixtrans-64.1-37.5172.1-62.9179.3179.400112.3E158 K159 F160E158-E162 PolarHBondContact O-N 3.18Å; K159-E162 PolarHBondContact O-N 3.31Å; F160-E162 VanDerWaalsContact C-N 3.28Å; F160-E162 PolarHBondContact O-N 3.33Å
163Y94.8Very high94.8Very high3 Ų342.3 Ų42.31%0.01223%0.23CC..Hα-helixtrans-73.8-36.3176-179.3-126.2000112.3D68 S69 L70 F124 Y127 K159 F160 L161 K165 R166 M167 Y194D68-Y163 WeakPolarHBondContact O-CE2 3.46Å; D68-Y163 PolarHBondContact O-OH 3.12Å; S69-Y163 VanDerWaalsContact C-CE2 3.42Å; S69-Y163 WeakPolarHBondContact O-CD2 3.5Å; S69-Y163 WeakPolarHBondContact O-CE2 3.4Å; L70-Y163 HydrophobicContact CB-CE2 3.92Å; L70-Y163 HydrophobicContact CD1-CE2 3.71Å; L70-Y163 HydrophobicContact CG-CE2 3.71Å; F124-Y163 HydrophobicContact CE2-CD1 4.36Å; F124-Y163 HydrophobicContact CE2-CD2 4.45Å; F124-Y163 HydrophobicContact CE2-CE1 4.01Å; F124-Y163 HydrophobicContact CE2-CE2 4.16Å; F124-Y163 AromaticContact CE2-CZ 3.94Å; F124-Y163 HydrophobicContact CZ-CD1 4.46Å; F124-Y163 AromaticContact CZ-CE1 3.73Å; F124-Y163 HydrophobicContact CZ-CE1 3.73Å; F124-Y163 HydrophobicContact CZ-CE2 4.34Å; F124-Y163 AromaticContact CZ-CZ 3.69Å; Y127-Y163 AromaticContact CD2-CD1 3.64Å; Y127-Y163 HydrophobicContact CD2-CD1 3.64Å; Y127-Y163 HydrophobicContact CD2-CE1 4.31Å; Y127-Y163 HydrophobicContact CD2-CG 4.29Å; Y127-Y163 AromaticContact CE2-CD1 3.59Å; Y127-Y163 HydrophobicContact CE2-CD1 3.59Å; Y127-Y163 HydrophobicContact CE2-CE1 4.4Å; Y127-Y163 AromaticContact CE2-CG 3.78Å; Y127-Y163 HydrophobicContact CE2-CG 3.78Å; K159-Y163 PolarHBondContact O-N 3.16Å; F160-Y163 HydrophobicContact CD2-CD1 4.38Å; F160-Y163 CarbonylContact O-C 3.52Å; F160-Y163 WeakPolarHBondContact O-CA 3.32Å; F160-Y163 WeakPolarHBondContact O-CB 3.14Å; F160-Y163 PolarHBondContact O-N 3.31Å; L161-Y163 VanDerWaalsContact C-N 3.31Å; L161-Y163 PolarHBondContact O-N 3.21Å; Y163-K165 VanDerWaalsContact C-N 3.31Å; Y163-K165 PolarHBondContact O-N 2.85Å; Y163-R166 WeakPolarHBondContact O-CA 3.41Å; Y163-R166 WeakPolarHBondContact O-CB 3.34Å; Y163-R166 PolarHBondContact O-N 3.44Å; Y163-M167 HydrophobicContact CD1-CE 3.21Å; Y163-M167 HydrophobicContact CE1-CE 2.87Å; Y163-M167 HydrophobicContact CE2-CE 4.32Å; Y163-M167 HydrophobicContact CG-CE 4.09Å; Y163-M167 PolarHBondContact O-N 2.85Å; Y163-Y194 HydrophobicContact CE1-CE1 4.5Å; Y163-Y194 WeakPolarHBondContact CE1-OH 3.37Å
164H95.2Very high94.9Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-59-41.1175179.5-94.6000111.4F160 L161 R166 M167 E168 Y190 Y212F160-H164 HydrophobicContact CE1-CB 4.15Å; F160-H164 HydrophobicContact CZ-CB 4.07Å; F160-H164 WeakPolarHBondContact O-CB 3.49Å; F160-H164 PolarHBondContact O-N 3.45Å; L161-H164 PolarHBondContact O-N 3.02Å; H164-R166 PolarHBondContact O-N 3.42Å; H164-R166 VanDerWaalsContact O-N 3.13Å; H164-M167 CarbonylContact O-C 3.58Å; H164-M167 WeakPolarHBondContact O-CA 3.28Å; H164-M167 WeakPolarHBondContact O-CB 3.22Å; H164-M167 PolarHBondContact O-N 2.81Å; H164-E168 IonicContact CE1-OE2 3.72Å; H164-E168 PolarHBondContact CE1-OE2 3.01Å; H164-E168 IonicContact ND1-OE2 2.67Å; H164-E168 PolarHBondContact ND1-OE2 2.7Å; H164-E168 WeakPolarHBondContact O-CB 3.31Å; H164-E168 PolarHBondContact O-N 3.47Å; H164-Y190 AromaticContact CD2-CD1 3.7Å; H164-Y190 AromaticContact CD2-CE1 3.54Å; H164-Y190 AromaticContact NE2-CD1 3.9Å; H164-Y190 AromaticContact NE2-CE1 3.5Å; H164-Y190 WeakPolarHBondContact NE2-CE1 3.39Å; H164-Y212 AromaticContact CD2-CE2 3.94Å; H164-Y212 AromaticContact NE2-CE2 3.52Å
165K93.3Very high94.6Very high87 Ų8740 Ų4038%0.37820%0.202SC..Hα-helixtrans-54.2-33.4173.6-70.3173.8-177.9-1790112.7Y105 L161 Y163 S169Y105-K165 HydrophobicContact CD1-CB 4.23Å; Y105-K165 WeakPolarHBondContact CE1-O 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.37Å; L161-K165 PolarHBondContact O-N 2.68Å; Y163-K165 VanDerWaalsContact C-N 3.31Å; Y163-K165 PolarHBondContact O-N 2.85Å; K165-S169 PolarHBondContact O-N 2.86Å
166R94.7Very high94.4Very high48 Ų4839 Ų3918%0.18119%0.19CC..Hα-helixtrans-73.2-37.3175.7-49.8-174.6-172152.67.7112S69 L70 Y105 Y163 H164 S169S69-R166 WeakPolarHBondContact O-CD 3.42Å; S69-R166 PolarHBondContact O-NH1 3.15Å; L70-R166 HydrophobicContact CB-CB 3.85Å; L70-R166 HydrophobicContact CD1-CB 4.41Å; L70-R166 VanDerWaalsContact O-CD 3.31Å; L70-R166 WeakPolarHBondContact O-CD 3.16Å; Y105-R166 HydrophobicContact CD1-CG 4.16Å; Y105-R166 HydrophobicContact CD2-CG 4.23Å; Y105-R166 HydrophobicContact CE1-CB 4.13Å; Y105-R166 HydrophobicContact CE1-CG 3.85Å; Y105-R166 HydrophobicContact CE2-CG 3.91Å; Y105-R166 HydrophobicContact CG-CG 4.33Å; Y163-R166 WeakPolarHBondContact O-CA 3.41Å; Y163-R166 WeakPolarHBondContact O-CB 3.34Å; Y163-R166 PolarHBondContact O-N 3.44Å; H164-R166 PolarHBondContact O-N 3.42Å; H164-R166 VanDerWaalsContact O-N 3.13Å; R166-S169 PolarHBondContact O-OG 2.79Å
167M95.4Very high93.8Very high0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-67-42172.9-58.9178.2-16700112.1L70 F160 Y163 H164 S169 F170 M192 F209 Y212L70-M167 HydrophobicContact CD1-CG 3.7Å; F160-M167 HydrophobicContact CE2-CE 4.3Å; Y163-M167 HydrophobicContact CD1-CE 3.21Å; Y163-M167 HydrophobicContact CE1-CE 2.87Å; Y163-M167 HydrophobicContact CE2-CE 4.32Å; Y163-M167 HydrophobicContact CG-CE 4.09Å; Y163-M167 PolarHBondContact O-N 2.85Å; H164-M167 CarbonylContact O-C 3.58Å; H164-M167 WeakPolarHBondContact O-CA 3.28Å; H164-M167 WeakPolarHBondContact O-CB 3.22Å; H164-M167 PolarHBondContact O-N 2.81Å; M167-S169 PolarHBondContact O-N 3.12Å; M167-F170 WeakPolarHBondContact O-CB 3.16Å; M167-F170 WeakPolarHBondContact O-CD2 3.38Å; M167-F170 PolarHBondContact O-N 3.4Å; M167-M192 HydrophobicContact CE-CG 3.9Å; M167-M192 HydrophobicContact SD-CG 4.22Å; M167-F209 HydrophobicContact CB-CZ 4.23Å; M167-F209 HydrophobicContact CE-CD2 4.07Å; M167-F209 HydrophobicContact CE-CE2 3.66Å; M167-F209 HydrophobicContact CE-CZ 4.4Å; M167-F209 HydrophobicContact CG-CE1 4.35Å; M167-F209 HydrophobicContact CG-CE2 3.87Å; M167-F209 HydrophobicContact CG-CZ 3.69Å; M167-F209 HydrophobicContact SD-CD2 4.49Å; M167-F209 HydrophobicContact SD-CE2 3.55Å; M167-F209 VanDerWaalsContact SD-CE2 3.55Å; M167-F209 HydrophobicContact SD-CZ 3.81Å; M167-Y212 HydrophobicContact CB-CD1 4.32Å; M167-Y212 HydrophobicContact CB-CE1 4.1Å; M167-Y212 HydrophobicContact SD-CD1 4.36Å; M167-Y212 HydrophobicContact SD-CD2 4.29Å; M167-Y212 HydrophobicContact SD-CG 4.04Å
168E93.3Very high93.4Very high41 Ų4140.6 Ų40.619%0.19221%0.207CC..Hα-helixtrans-59.8-31.4-177.6-170173.1130.400111.6H164 F170 L171 A180H164-E168 IonicContact CE1-OE2 3.72Å; H164-E168 PolarHBondContact CE1-OE2 3.01Å; H164-E168 IonicContact ND1-OE2 2.67Å; H164-E168 PolarHBondContact ND1-OE2 2.7Å; H164-E168 WeakPolarHBondContact O-CB 3.31Å; H164-E168 PolarHBondContact O-N 3.47Å; E168-F170 PolarHBondContact O-N 2.81Å; E168-L171 HydrophobicContact CG-CD1 4.16Å; E168-L171 WeakPolarHBondContact O-CB 3.49Å; E168-L171 PolarHBondContact O-N 3.32Å; E168-A180 VanDerWaalsContact OE1-CA 3.27Å; E168-A180 WeakPolarHBondContact OE1-CA 3.21Å; E168-A180 WeakPolarHBondContact OE1-CB 3.49Å
169S93Very high93.1Very high2 Ų238.3 Ų38.31%0.01421%0.205CC..THydrogen-bonded Turntrans-54.7-27.2174.274.30000113.6Y65 Y103 Y105 K165 R166 M167 F173Y65-S169 PolarHBondContact OH-OG 2.92Å; Y103-S169 WeakPolarHBondContact CE1-OG 3.5Å; Y105-S169 PolarHBondContact OH-OG 3.03Å; K165-S169 PolarHBondContact O-N 2.86Å; R166-S169 PolarHBondContact O-OG 2.79Å; M167-S169 PolarHBondContact O-N 3.12Å; S169-F173 WeakPolarHBondContact O-CD2 3.29Å; S169-F173 WeakPolarHBondContact O-CE2 3.33Å
170F95.7Very high92.8Very high0 Ų035 Ų350%020%0.203CC..THydrogen-bonded Turntrans-76.7-25175.9-66.8-66.6000113.4F23 L25 Y65 L70 M167 E168 L172 F173 F174 F209 L233 L235F23-F170 HydrophobicContact CD1-CD1 4.47Å; F23-F170 HydrophobicContact CD1-CE1 4.08Å; F23-F170 HydrophobicContact CE1-CD1 4.38Å; F23-F170 HydrophobicContact CE1-CE1 4.36Å; L25-F170 HydrophobicContact CD2-CZ 4.47Å; Y65-F170 HydrophobicContact CD1-CE2 4.23Å; Y65-F170 AromaticContact CD1-CZ 3.77Å; Y65-F170 HydrophobicContact CD1-CZ 3.77Å; Y65-F170 AromaticContact CD2-CE1 3.88Å; Y65-F170 HydrophobicContact CD2-CE1 3.88Å; Y65-F170 AromaticContact CD2-CZ 3.68Å; Y65-F170 HydrophobicContact CD2-CZ 3.68Å; Y65-F170 HydrophobicContact CE1-CE1 4.2Å; Y65-F170 AromaticContact CE1-CE2 3.96Å; Y65-F170 HydrophobicContact CE1-CE2 3.96Å; Y65-F170 AromaticContact CE1-CZ 3.63Å; Y65-F170 HydrophobicContact CE1-CZ 3.63Å; Y65-F170 HydrophobicContact CE2-CD1 4.4Å; Y65-F170 AromaticContact CE2-CE1 3.44Å; Y65-F170 HydrophobicContact CE2-CE1 3.44Å; Y65-F170 VanDerWaalsContact CE2-CE1 3.44Å; Y65-F170 AromaticContact CE2-CZ 3.56Å; Y65-F170 HydrophobicContact CE2-CZ 3.56Å; Y65-F170 HydrophobicContact CG-CE1 4.42Å; Y65-F170 AromaticContact CG-CZ 3.76Å; Y65-F170 HydrophobicContact CG-CZ 3.76Å; Y65-F170 AromaticContact CZ-CE1 3.59Å; Y65-F170 AromaticContact CZ-CZ 3.5Å; L70-F170 HydrophobicContact CD1-CE2 4.22Å; L70-F170 HydrophobicContact CD2-CE2 4.11Å; L70-F170 HydrophobicContact CD2-CZ 4.39Å; M167-F170 WeakPolarHBondContact O-CB 3.16Å; M167-F170 WeakPolarHBondContact O-CD2 3.38Å; M167-F170 PolarHBondContact O-N 3.4Å; E168-F170 PolarHBondContact O-N 2.81Å; F170-L172 PolarHBondContact O-N 2.79Å; F170-F173 PolarHBondContact O-N 3.42Å; F170-F173 VanDerWaalsContact O-N 3.08Å; F170-F174 HydrophobicContact CB-CD2 4.06Å; F170-F174 HydrophobicContact CB-CE2 4.38Å; F170-F174 HydrophobicContact CD1-CD2 4.47Å; F170-F174 AromaticContact CD1-CE2 3.96Å; F170-F174 HydrophobicContact CD1-CE2 3.96Å; F170-F174 WeakPolarHBondContact O-CD2 3.41Å; F170-F174 PolarHBondContact O-N 3.47Å; F170-F209 HydrophobicContact CE2-CE1 4.39Å; F170-L233 HydrophobicContact CB-CD2 3.47Å; F170-L233 VanDerWaalsContact CB-CD2 3.47Å; F170-L233 HydrophobicContact CG-CD2 4.31Å; F170-L235 HydrophobicContact CB-CD2 4.29Å; F170-L235 HydrophobicContact CD1-CD2 3.86Å; F170-L235 HydrophobicContact CD2-CD2 4.05Å; F170-L235 HydrophobicContact CE1-CD2 4.1Å; F170-L235 HydrophobicContact CE2-CD1 4.4Å; F170-L235 HydrophobicContact CE2-CD2 4.31Å; F170-L235 HydrophobicContact CG-CD2 3.82Å; F170-L235 HydrophobicContact CZ-CD1 4.29Å; F170-L235 HydrophobicContact CZ-CD2 4.32Å
171L93.7Very high92.4Very high2 Ų235.9 Ų35.91%0.0121%0.208CC..Hα-helixtrans-60.9-44.8-170.8-70.3-173.8000112.5E168 F173 F174 I175 A178 Y212 Q231 L233E168-L171 HydrophobicContact CG-CD1 4.16Å; E168-L171 WeakPolarHBondContact O-CB 3.49Å; E168-L171 PolarHBondContact O-N 3.32Å; L171-F173 PolarHBondContact O-N 2.77Å; L171-F173 VanDerWaalsContact O-N 3.12Å; L171-F174 PolarHBondContact O-N 3.2Å; L171-F174 VanDerWaalsContact O-N 3.11Å; L171-I175 HydrophobicContact CD2-CD1 3.66Å; L171-I175 HydrophobicContact CD2-CG1 4.27Å; L171-I175 PolarHBondContact O-N 2.91Å; L171-A178 HydrophobicContact CB-CB 3.97Å; L171-Y212 WeakPolarHBondContact CD1-OH 3.44Å; L171-Y212 HydrophobicContact CD2-CE1 4Å; L171-Y212 WeakPolarHBondContact CD2-OH 3.39Å; L171-Y212 VanDerWaalsContact CG-OH 3.29Å; L171-Y212 WeakPolarHBondContact CG-OH 3.33Å; L171-Q231 HydrophobicContact CD1-CG 4.15Å; L171-Q231 VanDerWaalsContact CD1-NE2 3.3Å; L171-Q231 HydrophobicContact CD2-CB 4.4Å; L171-L233 HydrophobicContact CD2-CB 4.25Å; L171-L233 HydrophobicContact CD2-CD2 4.3Å
172L92.6Very high92.1Very high33 Ų3337.9 Ų37.917%0.17322%0.224CC..Hα-helixtrans-64.7-16.5-179.9-58179.9000113.3Q45 I46 I102 F170 A178Q45-L172 VanDerWaalsContact OE1-CD2 3.26Å; I46-L172 HydrophobicContact CD1-CB 4.02Å; I46-L172 HydrophobicContact CG1-CB 4.26Å; I46-L172 HydrophobicContact CG1-CD1 4.48Å; I102-L172 HydrophobicContact CB-CD1 4.47Å; I102-L172 HydrophobicContact CD1-CD1 3.29Å; I102-L172 HydrophobicContact CG1-CD1 4.03Å; I102-L172 HydrophobicContact CG2-CD1 3.91Å; F170-L172 PolarHBondContact O-N 2.79Å; L172-A178 HydrophobicContact CD2-CB 4.36Å
173F96Very high91.6Very high0 Ų034.1 Ų34.10%021%0.209CC..Hα-helixtrans-94.6-16.7178-65.9-72.2000113.9I21 F23 P40 E41 F42 T43 I46 I63 L99 I102 S169 F170 L171I21-F173 HydrophobicContact CD1-CE1 4.08Å; F23-F173 HydrophobicContact CE1-CD2 4.17Å; F23-F173 HydrophobicContact CE1-CE2 4.23Å; F23-F173 HydrophobicContact CE2-CB 4.15Å; F23-F173 HydrophobicContact CE2-CD1 4.19Å; F23-F173 HydrophobicContact CE2-CD2 4.38Å; F23-F173 HydrophobicContact CE2-CG 4Å; F23-F173 HydrophobicContact CZ-CB 4.04Å; F23-F173 AromaticContact CZ-CD1 3.83Å; F23-F173 HydrophobicContact CZ-CD1 3.83Å; F23-F173 AromaticContact CZ-CD2 3.47Å; F23-F173 HydrophobicContact CZ-CD2 3.47Å; F23-F173 VanDerWaalsContact CZ-CD2 3.47Å; F23-F173 HydrophobicContact CZ-CE1 4.04Å; F23-F173 AromaticContact CZ-CE2 3.73Å; F23-F173 HydrophobicContact CZ-CE2 3.73Å; F23-F173 AromaticContact CZ-CG 3.51Å; F23-F173 HydrophobicContact CZ-CG 3.51Å; F23-F173 AromaticContact CZ-CZ 4Å; F23-F173 HydrophobicContact CZ-CZ 4Å; P40-F173 HydrophobicContact CB-CB 3.83Å; P40-F173 HydrophobicContact CB-CD1 3.67Å; P40-F173 HydrophobicContact CB-CG 4.16Å; P40-F173 HydrophobicContact CG-CD1 4.38Å; E41-F173 PolarHBondContact N-O 2.94Å; F42-F173 PolarHBondContact N-O 2.93Å; F42-F173 WeakPolarHBondContact O-CA 3.42Å; T43-F173 HydrophobicContact CG2-CD1 4.3Å; I46-F173 HydrophobicContact CD1-CD1 3.68Å; I46-F173 HydrophobicContact CD1-CD2 4.34Å; I46-F173 HydrophobicContact CD1-CE1 3.22Å; I46-F173 HydrophobicContact CD1-CE2 3.93Å; I46-F173 HydrophobicContact CD1-CG 4.24Å; I46-F173 HydrophobicContact CD1-CZ 3.36Å; I63-F173 HydrophobicContact CD1-CZ 4.29Å; L99-F173 HydrophobicContact CD2-CZ 4.33Å; I102-F173 HydrophobicContact CG2-CE2 4.36Å; S169-F173 WeakPolarHBondContact O-CD2 3.29Å; S169-F173 WeakPolarHBondContact O-CE2 3.33Å; F170-F173 PolarHBondContact O-N 3.42Å; F170-F173 VanDerWaalsContact O-N 3.08Å; L171-F173 PolarHBondContact O-N 2.77Å; L171-F173 VanDerWaalsContact O-N 3.12Å
174F95.9Very high91.3Very high9 Ų942 Ų424%0.03925%0.247CC..Hα-helixtrans-136.6-8-166.9-65-61.2000115.1F23 F38 N39 E41 F170 L171 L233 P236F23-F174 HydrophobicContact CD2-CE2 4.33Å; F23-F174 AromaticContact CD2-CZ 3.84Å; F23-F174 HydrophobicContact CD2-CZ 3.84Å; F23-F174 HydrophobicContact CE2-CE2 4.17Å; F23-F174 AromaticContact CE2-CZ 3.88Å; F23-F174 HydrophobicContact CE2-CZ 3.88Å; F38-F174 HydrophobicContact CD2-CE1 4.3Å; F38-F174 AromaticContact CD2-CZ 3.68Å; F38-F174 HydrophobicContact CD2-CZ 3.68Å; F38-F174 AromaticContact CE2-CE2 3.99Å; F38-F174 HydrophobicContact CE2-CE2 3.99Å; F38-F174 AromaticContact CE2-CZ 3.56Å; F38-F174 HydrophobicContact CE2-CZ 3.56Å; N39-F174 WeakPolarHBondContact O-CE1 3.44Å; E41-F174 HydrophobicContact CB-CD1 4.49Å; E41-F174 HydrophobicContact CG-CD1 4.13Å; F170-F174 HydrophobicContact CB-CD2 4.06Å; F170-F174 HydrophobicContact CB-CE2 4.38Å; F170-F174 HydrophobicContact CD1-CD2 4.47Å; F170-F174 AromaticContact CD1-CE2 3.96Å; F170-F174 HydrophobicContact CD1-CE2 3.96Å; F170-F174 WeakPolarHBondContact O-CD2 3.41Å; F170-F174 PolarHBondContact O-N 3.47Å; L171-F174 PolarHBondContact O-N 3.2Å; L171-F174 VanDerWaalsContact O-N 3.11Å; F174-L233 HydrophobicContact CB-CD1 3.61Å; F174-L233 HydrophobicContact CD2-CD1 4.2Å; F174-L233 HydrophobicContact CG-CD1 4.14Å; F174-P236 HydrophobicContact CD1-CG 3.87Å; F174-P236 HydrophobicContact CE1-CG 3.34Å; F174-P236 HydrophobicContact CZ-CG 3.83Å
175I92.4Very high91.1Very high43 Ų4344.5 Ų44.522%0.22126%0.26CS..SBendtrans-130113.7176.2-56.8-169.1000108.1L171 A178L171-I175 HydrophobicContact CD2-CD1 3.66Å; L171-I175 HydrophobicContact CD2-CG1 4.27Å; L171-I175 PolarHBondContact O-N 2.91Å; I175-A178 HydrophobicContact CB-CB 4Å; I175-A178 HydrophobicContact CG2-CB 4.13Å; I175-A178 VanDerWaalsContact O-CB 3.25Å; I175-A178 WeakPolarHBondContact O-CB 3.49Å; I175-A178 PolarHBondContact O-N 3.34Å
176D90.9Very high91.2Very high102 Ų10244.7 Ų44.755%0.54526%0.264SS..THydrogen-bonded Turntrans-62.1134.8174.9-169.613.8000111F42 H44 A178F42-D176 HydrophobicContact CD1-CB 4.28Å; F42-D176 HydrophobicContact CD2-CB 4.31Å; F42-D176 HydrophobicContact CE1-CB 3.92Å; F42-D176 HydrophobicContact CE2-CB 3.97Å; F42-D176 HydrophobicContact CG-CB 4.47Å; F42-D176 HydrophobicContact CZ-CB 3.76Å; H44-D176 IonicContact CE1-OD1 3.6Å; H44-D176 PolarHBondContact CE1-OD1 2.93Å; H44-D176 IonicContact NE2-OD1 3.47Å; H44-D176 PolarHBondContact NE2-OD1 2.92Å; D176-A178 PolarHBondContact O-N 2.91Å
177G84.2Confident91.2Very high56 Ų5645.4 Ų45.458%0.57727%0.269SS*.THydrogen-bonded Turntrans66.418.6-176.500000115
178A88.2Confident91.3Very high11 Ų1146.5 Ų46.59%0.09127%0.274CS..  trans-62.9147177.100000112.3Q45 L171 L172 I175 D176Q45-A178 PolarHBondContact NE2-O 3.44Å; L171-A178 HydrophobicContact CB-CB 3.97Å; L172-A178 HydrophobicContact CD2-CB 4.36Å; I175-A178 HydrophobicContact CB-CB 4Å; I175-A178 HydrophobicContact CG2-CB 4.13Å; I175-A178 VanDerWaalsContact O-CB 3.25Å; I175-A178 WeakPolarHBondContact O-CB 3.49Å; I175-A178 PolarHBondContact O-N 3.34Å; D176-A178 PolarHBondContact O-N 2.91Å
179S88.2Confident91.5Very high81 Ų8144.5 Ų44.557%0.56626%0.264SS*.  trans-135148.8171.8670000110.8Q231S179-Q231 PolarHBondContact O-NE2 3.17Å
180A86.4Confident91.7Very high67 Ų6744.4 Ų44.455%0.55426%0.264SS*.  trans-54.6143.5166.700000110.9E168E168-A180 VanDerWaalsContact OE1-CA 3.27Å; E168-A180 WeakPolarHBondContact OE1-CA 3.21Å; E168-A180 WeakPolarHBondContact OE1-CB 3.49Å
181I88.1Confident91.9Very high19 Ų1944.4 Ų44.410%0.09726%0.264CS..  trans-98.1150.517457.8168.9000110.6T183 W188 Y190 T214I181-T183 PolarHBondContact O-N 3.46Å; I181-W188 HydrophobicContact CB-CZ2 3.89Å; I181-W188 HydrophobicContact CD1-CD2 3.93Å; I181-W188 HydrophobicContact CD1-CE3 4.22Å; I181-W188 HydrophobicContact CD1-CG 4.23Å; I181-W188 HydrophobicContact CG2-CH2 3.8Å; I181-W188 HydrophobicContact CG2-CZ2 3.61Å; I181-W188 HydrophobicContact CG2-CZ3 4.46Å; I181-Y190 HydrophobicContact CD1-CE1 3.76Å; I181-T214 HydrophobicContact CD1-CG2 4.23Å
182S88.5Confident92.1Very high71 Ų7144.3 Ų44.350%0.49726%0.263SS..  trans-70.9111171.6179.10000110.2E184 D185 W188S182-E184 PolarHBondContact O-N 3.39Å; S182-D185 PolarHBondContact O-N 3.08Å; S182-W188 PolarHBondContact O-NE1 2.72Å
183T83.7Confident92.4Very high41 Ų4142.8 Ų42.825%0.25226%0.255SS..THydrogen-bonded Turntrans-74.2-8.7179.455.40000113.8L161 I181L161-T183 HydrophobicContact CD2-CG2 3.95Å; I181-T183 PolarHBondContact O-N 3.46Å
184E87.5Confident92.4Very high170 Ų17042.8 Ų42.879%0.79426%0.255SS*.THydrogen-bonded Turntrans-81.6-20.2178.4-62.1-179.9178.300112.5S182 I186S182-E184 PolarHBondContact O-N 3.39Å; E184-I186 PolarHBondContact O-N 3.01Å
185D92.1Very high92.5Very high51 Ų5142.7 Ų42.727%0.27326%0.255SS..  trans-78.3116.8-178.8-168-26.5000111.4S182 Q187 W188 Y216S182-D185 PolarHBondContact O-N 3.08Å; D185-Q187 PolarHBondContact O-N 3.11Å; D185-Q187 VanDerWaalsContact O-N 3.11Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.48Å; D185-Q187 WeakPolarHBondContact OD1-CG 3.24Å; D185-Q187 PolarHBondContact OD1-N 2.89Å; D185-W188 PolarHBondContact O-N 3.17Å; D185-Y216 HydrophobicContact CB-CE2 4.44Å; D185-Y216 WeakPolarHBondContact OD2-CE2 3.36Å; D185-Y216 VanDerWaalsContact OD2-CZ 3.29Å; D185-Y216 PolarHBondContact OD2-OH 2.86Å
186I94.8Very high92.6Very high92 Ų9242.6 Ų42.647%0.47226%0.255SS..THydrogen-bonded Turntrans-66-10.9-178.269.6172.8000114H152 E184 W188H152-I186 HydrophobicContact CB-CB 4.1Å; H152-I186 HydrophobicContact CB-CG2 4.35Å; E184-I186 PolarHBondContact O-N 3.01Å; I186-W188 VanDerWaalsContact C-N 3.3Å
187Q95.4Very high92.6Very high62 Ų6240.2 Ų40.229%0.2924%0.241SC..THydrogen-bonded Turntrans-80.1-10-179.7-60.7-56.2-31.700113.6D185 Y216 K217D185-Q187 PolarHBondContact O-N 3.11Å; D185-Q187 VanDerWaalsContact O-N 3.11Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.48Å; D185-Q187 WeakPolarHBondContact OD1-CG 3.24Å; D185-Q187 PolarHBondContact OD1-N 2.89Å; Q187-Y216 HydrophobicContact CB-CD1 4.48Å; Q187-Y216 HydrophobicContact CB-CD2 4.06Å; Q187-Y216 HydrophobicContact CB-CE1 4.11Å; Q187-Y216 HydrophobicContact CB-CE2 3.64Å; Q187-Y216 HydrophobicContact CB-CG 4.5Å; Q187-K217 HydrophobicContact CB-CB 4.31Å; Q187-K217 PolarHBondContact O-N 3.29Å; Q187-K217 PolarHBondContact OE1-O 3.46Å
188W97Very high92.8Very high23 Ų2338.9 Ų38.99%0.08723%0.228CC..EExtended strand (participates in β ladder)trans-75.6138.9176.4-73.3112.9000112.7I181 S182 D185 I186 Y190 Y216I181-W188 HydrophobicContact CB-CZ2 3.89Å; I181-W188 HydrophobicContact CD1-CD2 3.93Å; I181-W188 HydrophobicContact CD1-CE3 4.22Å; I181-W188 HydrophobicContact CD1-CG 4.23Å; I181-W188 HydrophobicContact CG2-CH2 3.8Å; I181-W188 HydrophobicContact CG2-CZ2 3.61Å; I181-W188 HydrophobicContact CG2-CZ3 4.46Å; S182-W188 PolarHBondContact O-NE1 2.72Å; D185-W188 PolarHBondContact O-N 3.17Å; I186-W188 VanDerWaalsContact C-N 3.3Å; W188-Y190 HydrophobicContact CB-CE2 3.84Å; W188-Y216 AromaticContact CD2-CD2 3.6Å; W188-Y216 HydrophobicContact CD2-CD2 3.6Å; W188-Y216 HydrophobicContact CD2-CE2 4.41Å; W188-Y216 AromaticContact CE2-CD2 3.41Å; W188-Y216 VanDerWaalsContact CE2-CD2 3.41Å; W188-Y216 AromaticContact CE2-CE2 3.98Å; W188-Y216 AromaticContact CE3-CD2 3.97Å; W188-Y216 HydrophobicContact CE3-CD2 3.97Å; W188-Y216 HydrophobicContact CE3-CG 4.48Å; W188-Y216 HydrophobicContact CG-CD2 4.1Å; W188-Y216 AromaticContact CH2-CD2 4Å; W188-Y216 HydrophobicContact CH2-CD2 4Å; W188-Y216 HydrophobicContact CH2-CG 4.33Å; W188-Y216 AromaticContact CZ2-CD2 3.62Å; W188-Y216 HydrophobicContact CZ2-CD2 3.62Å; W188-Y216 HydrophobicContact CZ2-CE2 4.32Å; W188-Y216 HydrophobicContact CZ2-CG 4.35Å; W188-Y216 HydrophobicContact CZ3-CD2 4.17Å; W188-Y216 HydrophobicContact CZ3-CG 4.4Å; W188-Y216 AromaticContact NE1-CD2 3.79Å; W188-Y216 AromaticContact NE1-CE2 3.9Å
189C96.6Very high92.7Very high0 Ų044.4 Ų44.40%025%0.252CS..EExtended strand (participates in β ladder)trans-132.9151171.3-53.70000110.5F149 E151 T214 V215 K217F149-C189 HydrophobicContact CE2-CB 3.73Å; F149-C189 HydrophobicContact CZ-CB 4.02Å; E151-C189 HydrophobicContact CB-CB 4.34Å; E151-C189 PolarHBondContact OE2-SG 3.09Å; E151-C189 VanDerWaalsContact OE2-SG 3.4Å; C189-T214 WeakPolarHBondContact O-CA 3.33Å; C189-V215 PolarHBondContact N-O 3.2Å; C189-V215 PolarHBondContact O-N 3.21Å; C189-K217 WeakPolarHBondContact SG-CE 3.34Å; C189-K217 PolarHBondContact SG-NZ 3.28Å
190Y98.2Very high92.4Very high0 Ų041.4 Ų41.40%023%0.23CC..EExtended strand (participates in β ladder)trans-130.6130-168.9-53.3-97.4000110F149 I150 F157 F160 H164 I181 W188 T214F149-Y190 WeakPolarHBondContact CA-O 3.42Å; I150-Y190 HydrophobicContact CG2-CD2 4.34Å; I150-Y190 HydrophobicContact CG2-CG 4.48Å; I150-Y190 PolarHBondContact N-O 2.74Å; I150-Y190 PolarHBondContact O-N 3.28Å; F157-Y190 HydrophobicContact CE2-CD2 4.18Å; F157-Y190 AromaticContact CE2-CE2 3.85Å; F157-Y190 HydrophobicContact CE2-CE2 3.85Å; F157-Y190 HydrophobicContact CZ-CE2 4.13Å; F160-Y190 HydrophobicContact CD1-CD2 4.49Å; F160-Y190 AromaticContact CE1-CD1 3.73Å; F160-Y190 HydrophobicContact CE1-CD1 3.73Å; F160-Y190 AromaticContact CE1-CD2 3.52Å; F160-Y190 HydrophobicContact CE1-CD2 3.52Å; F160-Y190 HydrophobicContact CE1-CE1 4.06Å; F160-Y190 AromaticContact CE1-CE2 3.91Å; F160-Y190 HydrophobicContact CE1-CE2 3.91Å; F160-Y190 AromaticContact CE1-CG 3.44Å; F160-Y190 HydrophobicContact CE1-CG 3.44Å; F160-Y190 VanDerWaalsContact CE1-CG 3.44Å; F160-Y190 AromaticContact CZ-CD1 3.63Å; F160-Y190 HydrophobicContact CZ-CD1 3.63Å; F160-Y190 HydrophobicContact CZ-CD2 4.05Å; F160-Y190 HydrophobicContact CZ-CE1 4.32Å; F160-Y190 AromaticContact CZ-CG 3.47Å; F160-Y190 HydrophobicContact CZ-CG 3.47Å; F160-Y190 VanDerWaalsContact CZ-CG 3.47Å; H164-Y190 AromaticContact CD2-CD1 3.7Å; H164-Y190 AromaticContact CD2-CE1 3.54Å; H164-Y190 AromaticContact NE2-CD1 3.9Å; H164-Y190 AromaticContact NE2-CE1 3.5Å; H164-Y190 WeakPolarHBondContact NE2-CE1 3.39Å; I181-Y190 HydrophobicContact CD1-CE1 3.76Å; W188-Y190 HydrophobicContact CB-CE2 3.84Å; Y190-T214 HydrophobicContact CD1-CG2 3.85Å; Y190-T214 HydrophobicContact CE1-CG2 4.04Å
191Y98.6Very high92.1Very high0 Ų046.5 Ų46.50%025%0.248CC..EExtended strand (participates in β ladder)trans-111.3123.6168.9-67.9-93.5000108.5I147 F148 F149 Y212 M213 V215 T250 F251 D254 F255I147-Y191 HydrophobicContact CG2-CD1 4.09Å; F148-Y191 CarbonylContact O-C 3.57Å; F148-Y191 VanDerWaalsContact O-CA 3.3Å; F148-Y191 WeakPolarHBondContact O-CA 3.47Å; F149-Y191 HydrophobicContact CB-CD1 4.34Å; F149-Y191 HydrophobicContact CB-CE1 4.26Å; F149-Y191 AromaticContact CD2-CD1 3.95Å; F149-Y191 HydrophobicContact CD2-CD1 3.95Å; F149-Y191 HydrophobicContact CD2-CD2 4.2Å; F149-Y191 AromaticContact CD2-CE1 3.5Å; F149-Y191 HydrophobicContact CD2-CE1 3.5Å; F149-Y191 VanDerWaalsContact CD2-CE1 3.5Å; F149-Y191 AromaticContact CD2-CE2 3.78Å; F149-Y191 HydrophobicContact CD2-CE2 3.78Å; F149-Y191 HydrophobicContact CD2-CG 4.28Å; F149-Y191 AromaticContact CD2-CZ 3.4Å; F149-Y191 HydrophobicContact CE2-CE1 4.27Å; F149-Y191 AromaticContact CE2-CE2 3.88Å; F149-Y191 HydrophobicContact CE2-CE2 3.88Å; F149-Y191 AromaticContact CE2-CZ 3.69Å; F149-Y191 HydrophobicContact CG-CE1 4.27Å; Y191-Y212 CarbonylContact O-C 3.51Å; Y191-Y212 WeakPolarHBondContact O-CA 3.49Å; Y191-Y212 VanDerWaalsContact O-CB 3.26Å; Y191-Y212 WeakPolarHBondContact O-CB 3.24Å; Y191-M213 HydrophobicContact CD2-CE 3.62Å; Y191-M213 HydrophobicContact CE2-CE 4.14Å; Y191-M213 HydrophobicContact CG-CE 3.98Å; Y191-M213 PolarHBondContact N-O 2.84Å; Y191-M213 PolarHBondContact O-N 3.29Å; Y191-V215 HydrophobicContact CD2-CG2 4.25Å; Y191-V215 HydrophobicContact CE2-CG2 4.08Å; Y191-T250 HydrophobicContact CD1-CG2 4.26Å; Y191-T250 HydrophobicContact CE1-CG2 4.07Å; Y191-F251 HydrophobicContact CE2-CB 4.11Å; Y191-F251 AromaticContact CE2-CD2 3.97Å; Y191-F251 HydrophobicContact CE2-CD2 3.97Å; Y191-F251 HydrophobicContact CE2-CG 4.47Å; Y191-D254 VanDerWaalsContact CE1-OD2 3.23Å; Y191-D254 WeakPolarHBondContact CE1-OD2 3.47Å; Y191-D254 WeakPolarHBondContact OH-CB 3.44Å; Y191-D254 PolarHBondContact OH-OD2 3.27Å; Y191-F255 WeakPolarHBondContact OH-CE2 3.34Å
192M98.5Very high91.8Very high0 Ų050.4 Ų50.40%027%0.269CS..EExtended strand (participates in β ladder)trans-116.9140.7178.4-59.580.173.200109.5Y127 I147 F148 I150 F160 M167 Y194Y127-M192 WeakPolarHBondContact O-CE 3.35Å; I147-M192 CarbonylContact C-O 3.59Å; I147-M192 VanDerWaalsContact CA-O 3.29Å; I147-M192 WeakPolarHBondContact CA-O 3.3Å; F148-M192 HydrophobicContact CB-CE 4.36Å; F148-M192 PolarHBondContact N-O 3.3Å; F148-M192 PolarHBondContact O-N 2.86Å; I150-M192 HydrophobicContact CB-CE 4.3Å; I150-M192 HydrophobicContact CG2-CE 3.64Å; I150-M192 HydrophobicContact CG2-SD 4.04Å; F160-M192 HydrophobicContact CD2-CE 3.85Å; F160-M192 HydrophobicContact CD2-SD 4.42Å; F160-M192 HydrophobicContact CE2-CE 3.51Å; F160-M192 HydrophobicContact CE2-CG 4.07Å; F160-M192 HydrophobicContact CE2-SD 3.5Å; F160-M192 VanDerWaalsContact CE2-SD 3.5Å; F160-M192 HydrophobicContact CZ-CE 4.33Å; F160-M192 HydrophobicContact CZ-SD 3.87Å; M167-M192 HydrophobicContact CE-CG 3.9Å; M167-M192 HydrophobicContact SD-CG 4.22Å; M192-Y194 HydrophobicContact CB-CD2 4.45Å; M192-Y194 HydrophobicContact CB-CE2 3.52Å
193I98.4Very high91.7Very high0 Ų048.9 Ų48.90%027%0.265CS..EExtended strand (participates in β ladder)trans-118.8133.9-178.5-171.6174.4000110.4Y134 S146 I147 I210 G211 I234 H243 L247Y134-I193 HydrophobicContact CE1-CD1 3.98Å; Y134-I193 WeakPolarHBondContact OH-CD1 3.22Å; S146-I193 WeakPolarHBondContact O-CA 3.41Å; I147-I193 HydrophobicContact CD1-CD1 4.37Å; I147-I193 HydrophobicContact CG1-CB 4.19Å; I147-I193 HydrophobicContact CG1-CD1 4.06Å; I147-I193 HydrophobicContact CG1-CG1 3.88Å; I193-I210 HydrophobicContact CB-CD1 4.39Å; I193-I210 HydrophobicContact CB-CG1 3.98Å; I193-I210 HydrophobicContact CD1-CD1 3.71Å; I193-I210 HydrophobicContact CD1-CG1 4.23Å; I193-I210 HydrophobicContact CG1-CD1 3.63Å; I193-I210 HydrophobicContact CG1-CG1 3.73Å; I193-I210 HydrophobicContact CG2-CD1 4.14Å; I193-I210 HydrophobicContact CG2-CG1 3.52Å; I193-I210 VanDerWaalsContact O-CG1 3.3Å; I193-I210 WeakPolarHBondContact O-CG1 3.11Å; I193-I210 PolarHBondContact O-N 3.27Å; I193-G211 WeakPolarHBondContact CG2-O 3.08Å; I193-G211 PolarHBondContact N-O 2.74Å; I193-I234 HydrophobicContact CG2-CD1 4.06Å; I193-H243 HydrophobicContact CD1-CB 3.9Å; I193-L247 HydrophobicContact CB-CD2 4.12Å; I193-L247 HydrophobicContact CD1-CG 4.44Å; I193-L247 HydrophobicContact CG2-CD1 4.12Å; I193-L247 HydrophobicContact CG2-CD2 4.31Å; I193-L247 HydrophobicContact CG2-CG 4.38Å
194Y98Very high91.9Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-130143.6-177.4-55.8-92.6000111.1F124 P126 F145 S146 F148 Y163 M192 Y207 G208 F209F124-Y194 HydrophobicContact CE1-CD1 4.49Å; F124-Y194 AromaticContact CE1-CE1 3.88Å; F124-Y194 HydrophobicContact CE1-CE1 3.88Å; F124-Y194 HydrophobicContact CZ-CE1 4.01Å; P126-Y194 HydrophobicContact CB-CD2 4.1Å; P126-Y194 HydrophobicContact CB-CE2 3.62Å; P126-Y194 HydrophobicContact CG-CD1 4.45Å; P126-Y194 HydrophobicContact CG-CD2 4.03Å; P126-Y194 HydrophobicContact CG-CE1 4.41Å; P126-Y194 HydrophobicContact CG-CE2 3.99Å; P126-Y194 HydrophobicContact CG-CG 4.26Å; F145-Y194 CarbonylContact C-O 3.6Å; F145-Y194 WeakPolarHBondContact CA-O 3.33Å; S146-Y194 PolarHBondContact N-O 3.44Å; S146-Y194 PolarHBondContact O-N 3.5Å; F148-Y194 HydrophobicContact CB-CE2 4.32Å; F148-Y194 AromaticContact CD2-CD2 3.76Å; F148-Y194 HydrophobicContact CD2-CD2 3.76Å; F148-Y194 AromaticContact CD2-CE2 3.95Å; F148-Y194 HydrophobicContact CD2-CE2 3.95Å; F148-Y194 HydrophobicContact CE2-CD2 4.3Å; F148-Y194 HydrophobicContact CG-CE2 4.38Å; Y163-Y194 HydrophobicContact CE1-CE1 4.5Å; Y163-Y194 WeakPolarHBondContact CE1-OH 3.37Å; M192-Y194 HydrophobicContact CB-CD2 4.45Å; M192-Y194 HydrophobicContact CB-CE2 3.52Å; Y194-Y207 HydrophobicContact CG-CD1 4.31Å; Y194-G208 CarbonylContact C-O 3.54Å; Y194-G208 WeakPolarHBondContact CA-O 3.36Å; Y194-F209 HydrophobicContact CD1-CB 4.23Å; Y194-F209 HydrophobicContact CE1-CB 4.22Å; Y194-F209 HydrophobicContact CE1-CD2 4.05Å
195E96.3Very high92Very high8 Ų848 Ų484%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-84.7138162.6-174.4176.8-177.800109.2R27 K143 F145 I197 Y207 G208 I210R27-E195 IonicContact CZ-OE2 2.78Å; R27-E195 IonicContact NH1-OE1 2.97Å; R27-E195 PolarHBondContact NH1-OE1 2.95Å; R27-E195 IonicContact NH1-OE2 2.67Å; R27-E195 PolarHBondContact NH1-OE2 3.13Å; R27-E195 IonicContact NH2-OE2 3.42Å; R27-E195 PolarHBondContact NH2-OE2 3.22Å; K143-E195 WeakPolarHBondContact CD-OE1 3.39Å; K143-E195 WeakPolarHBondContact CE-OE1 3.37Å; K143-E195 IonicContact NZ-OE1 2.71Å; K143-E195 PolarHBondContact NZ-OE1 2.93Å; K143-E195 IonicContact NZ-OE2 3.21Å; F145-E195 HydrophobicContact CD1-CB 3.9Å; F145-E195 HydrophobicContact CD1-CG 4.23Å; F145-E195 HydrophobicContact CE1-CB 3.74Å; F145-E195 HydrophobicContact CE1-CG 3.79Å; F145-E195 HydrophobicContact CZ-CG 4.33Å; E195-I197 HydrophobicContact CB-CG2 4.17Å; E195-I197 HydrophobicContact CG-CG2 4.07Å; E195-I197 PolarHBondContact O-N 3.49Å; E195-Y207 CarbonylContact O-C 3.59Å; E195-Y207 WeakPolarHBondContact O-CA 3.44Å; E195-G208 PolarHBondContact N-O 2.9Å; E195-G208 PolarHBondContact O-N 3.14Å; E195-I210 HydrophobicContact CB-CG2 3.97Å
196N94.5Very high92Very high40 Ų4048 Ų4821%0.21426%0.255CS..EExtended strand (participates in β ladder)trans-76.2110.2164.9177.7-19.9000108.3K144 G198 I205 K206K144-N196 HydrophobicContact CB-CB 4.08Å; K144-N196 PolarHBondContact O-N 3.42Å; N196-G198 PolarHBondContact OD1-N 3.16Å; N196-G198 PolarHBondContact OD1-O 3.34Å; N196-G198 VanDerWaalsContact OD1-O 3.09Å; N196-I205 HydrophobicContact CB-CG2 4.02Å; N196-I205 VanDerWaalsContact CG-CG2 3.4Å; N196-I205 WeakPolarHBondContact ND2-CG2 3.42Å; N196-K206 WeakPolarHBondContact CA-O 3.44Å
197I91.6Very high92Very high52 Ų5245.1 Ų45.127%0.26724%0.239SC..EExtended strand (participates in β ladder)trans-100.710-175.261.4173.8000113.1A67 E195 K206A67-I197 HydrophobicContact CB-CD1 4.47Å; E195-I197 HydrophobicContact CB-CG2 4.17Å; E195-I197 HydrophobicContact CG-CG2 4.07Å; E195-I197 PolarHBondContact O-N 3.49Å; I197-K206 HydrophobicContact CD1-CB 4.32Å; I197-K206 HydrophobicContact CG1-CB 3.66Å; I197-K206 PolarHBondContact N-O 2.98Å
198G87.8Confident92Very high29 Ų2942.2 Ų42.230%0.29923%0.225SC..EExtended strand (participates in β ladder)trans136.6-159.3178.300000112.5N196 K206N196-G198 PolarHBondContact OD1-N 3.16Å; N196-G198 PolarHBondContact OD1-O 3.34Å; N196-G198 VanDerWaalsContact OD1-O 3.09Å; G198-K206 PolarHBondContact O-N 2.69Å
199Q85.7Confident92Very high126 Ų12641.2 Ų41.259%0.58922%0.222SC*.EExtended strand (participates in β ladder)trans-127.5152.9176.3-66.3179.4-67.300110.9G203 K204 K206Q199-G203 PolarHBondContact NE2-O 2.95Å; Q199-K204 CarbonylContact C-O 3.48Å; Q199-K204 WeakPolarHBondContact CA-O 3.49Å; Q199-K204 WeakPolarHBondContact CB-O 3.36Å; Q199-K206 WeakPolarHBondContact O-CE 3.45Å; Q199-K206 PolarHBondContact O-NZ 2.97Å
200T81.9Confident92Very high19 Ų1941.2 Ų41.212%0.11722%0.222CC..  trans-77.3167.6164.951.60000110F122 D202 G203 K204 K206F122-T200 HydrophobicContact CD1-CG2 3.87Å; F122-T200 HydrophobicContact CE1-CG2 3.95Å; T200-D202 WeakPolarHBondContact CB-OD1 3.47Å; T200-D202 PolarHBondContact O-N 3.28Å; T200-D202 PolarHBondContact OG1-OD1 3.27Å; T200-G203 WeakPolarHBondContact O-CA 3.47Å; T200-G203 PolarHBondContact O-N 2.97Å; T200-K204 PolarHBondContact N-O 3.46Å; T200-K204 WeakPolarHBondContact OG1-CA 3.39Å; T200-K204 VanDerWaalsContact OG1-CB 3.31Å; T200-K204 WeakPolarHBondContact OG1-CB 3.38Å; T200-K204 PolarHBondContact OG1-N 3.32Å; T200-K204 PolarHBondContact OG1-O 2.85Å; T200-K204 VanDerWaalsContact OG1-O 3.09Å; T200-K206 HydrophobicContact CG2-CD 4.38Å; T200-K206 HydrophobicContact CG2-CG 3.78Å
201D80.9Confident92Very high173 Ų17341.2 Ų41.293%0.92522%0.222SC*.THydrogen-bonded Turntrans-62.9-26.2-179.3-58.2-24.2000112.8G203D201-G203 VanDerWaalsContact C-N 3.25Å; D201-G203 PolarHBondContact O-N 2.9Å
202D82.6Confident91.9Very high101 Ų10141.2 Ų41.254%0.5422%0.222SC..THydrogen-bonded Turntrans-84.98.8173.271.5-23.8000113.5T200 K204T200-D202 WeakPolarHBondContact CB-OD1 3.47Å; T200-D202 PolarHBondContact O-N 3.28Å; T200-D202 PolarHBondContact OG1-OD1 3.27Å; D202-K204 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 2.82Å; D202-K204 VanDerWaalsContact OD2-CD 3.3Å; D202-K204 WeakPolarHBondContact OD2-CD 3.37Å; D202-K204 WeakPolarHBondContact OD2-CE 3.47Å; D202-K204 IonicContact OD2-NZ 3.7Å; D202-K204 PolarHBondContact OD2-NZ 3.26Å
203G85.4Confident91.9Very high40 Ų4041.2 Ų41.241%0.41222%0.222SC..SBendtrans81.32.6174.700000115.5Q199 T200 D201Q199-G203 PolarHBondContact NE2-O 2.95Å; T200-G203 WeakPolarHBondContact O-CA 3.47Å; T200-G203 PolarHBondContact O-N 2.97Å; D201-G203 VanDerWaalsContact C-N 3.25Å; D201-G203 PolarHBondContact O-N 2.9Å
204K87.9Confident91.9Very high127 Ų12741.2 Ų41.255%0.55222%0.222SC*.PPolyproline II helixtrans-71.1148.2175.1-63.2175.8-179.2136.50110.8Q199 T200 D202Q199-K204 CarbonylContact C-O 3.48Å; Q199-K204 WeakPolarHBondContact CA-O 3.49Å; Q199-K204 WeakPolarHBondContact CB-O 3.36Å; T200-K204 PolarHBondContact N-O 3.46Å; T200-K204 WeakPolarHBondContact OG1-CA 3.39Å; T200-K204 VanDerWaalsContact OG1-CB 3.31Å; T200-K204 WeakPolarHBondContact OG1-CB 3.38Å; T200-K204 PolarHBondContact OG1-N 3.32Å; T200-K204 PolarHBondContact OG1-O 2.85Å; T200-K204 VanDerWaalsContact OG1-O 3.09Å; D202-K204 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 2.82Å; D202-K204 VanDerWaalsContact OD2-CD 3.3Å; D202-K204 WeakPolarHBondContact OD2-CD 3.37Å; D202-K204 WeakPolarHBondContact OD2-CE 3.47Å; D202-K204 IonicContact OD2-NZ 3.7Å; D202-K204 PolarHBondContact OD2-NZ 3.26Å
205I90.7Very high91.9Very high65 Ų6541.2 Ų41.233%0.33322%0.222SC..EExtended strand (participates in β ladder)trans-72.8132.7178.1-64.9170.7000109.4N196 Y207N196-I205 HydrophobicContact CB-CG2 4.02Å; N196-I205 VanDerWaalsContact CG-CG2 3.4Å; N196-I205 WeakPolarHBondContact ND2-CG2 3.42Å; I205-Y207 HydrophobicContact CB-CE2 3.88Å; I205-Y207 HydrophobicContact CG2-CD1 4.2Å; I205-Y207 HydrophobicContact CG2-CD2 4.18Å; I205-Y207 HydrophobicContact CG2-CE1 3.79Å; I205-Y207 HydrophobicContact CG2-CE2 3.78Å; I205-Y207 HydrophobicContact CG2-CG 4.4Å; I205-Y207 VanDerWaalsContact O-CD2 3.31Å; I205-Y207 WeakPolarHBondContact O-CD2 3.5Å; I205-Y207 VanDerWaalsContact O-CE2 3.29Å; I205-Y207 WeakPolarHBondContact O-CE2 3.37Å
206K91.9Very high91.9Very high52 Ų5242.9 Ų42.923%0.22623%0.228CC..EExtended strand (participates in β ladder)trans-87.5137.6167.4-67.3177.1-178.1160.40110.2F122 N196 I197 G198 Q199 T200F122-K206 HydrophobicContact CE1-CD 4.44Å; F122-K206 VanDerWaalsContact CE1-NZ 3.34Å; F122-K206 HydrophobicContact CE2-CD 4.45Å; F122-K206 HydrophobicContact CZ-CD 4.17Å; N196-K206 WeakPolarHBondContact CA-O 3.44Å; I197-K206 HydrophobicContact CD1-CB 4.32Å; I197-K206 HydrophobicContact CG1-CB 3.66Å; I197-K206 PolarHBondContact N-O 2.98Å; G198-K206 PolarHBondContact O-N 2.69Å; Q199-K206 WeakPolarHBondContact O-CE 3.45Å; Q199-K206 PolarHBondContact O-NZ 2.97Å; T200-K206 HydrophobicContact CG2-CD 4.38Å; T200-K206 HydrophobicContact CG2-CG 3.78Å
207Y94Very high92.1Very high31 Ų3142.6 Ų42.612%0.12222%0.224CC..EExtended strand (participates in β ladder)trans-116.5129.9-176.3-66-84.2000110.6D68 P126 F148 Y194 E195 I205D68-Y207 WeakPolarHBondContact CA-O 3.36Å; D68-Y207 WeakPolarHBondContact CB-O 3.32Å; P126-Y207 HydrophobicContact CG-CD1 3.83Å; P126-Y207 HydrophobicContact CG-CD2 3.54Å; P126-Y207 HydrophobicContact CG-CE1 4.15Å; P126-Y207 HydrophobicContact CG-CE2 3.88Å; P126-Y207 HydrophobicContact CG-CG 3.48Å; P126-Y207 VanDerWaalsContact CG-CG 3.48Å; F148-Y207 HydrophobicContact CE2-CE1 4.01Å; F148-Y207 HydrophobicContact CZ-CE1 4.34Å; Y194-Y207 HydrophobicContact CG-CD1 4.31Å; E195-Y207 CarbonylContact O-C 3.59Å; E195-Y207 WeakPolarHBondContact O-CA 3.44Å; I205-Y207 HydrophobicContact CB-CE2 3.88Å; I205-Y207 HydrophobicContact CG2-CD1 4.2Å; I205-Y207 HydrophobicContact CG2-CD2 4.18Å; I205-Y207 HydrophobicContact CG2-CE1 3.79Å; I205-Y207 HydrophobicContact CG2-CE2 3.78Å; I205-Y207 HydrophobicContact CG2-CG 4.4Å; I205-Y207 VanDerWaalsContact O-CD2 3.31Å; I205-Y207 WeakPolarHBondContact O-CD2 3.5Å; I205-Y207 VanDerWaalsContact O-CE2 3.29Å; I205-Y207 WeakPolarHBondContact O-CE2 3.37Å
208G94.8Very high92.3Very high1 Ų143.3 Ų43.31%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-105.5121.5167.700000110.1A67 Y194 E195A67-G208 CarbonylContact O-C 3.57Å; A67-G208 WeakPolarHBondContact O-CA 3.14Å; Y194-G208 CarbonylContact C-O 3.54Å; Y194-G208 WeakPolarHBondContact CA-O 3.36Å; E195-G208 PolarHBondContact N-O 2.9Å; E195-G208 PolarHBondContact O-N 3.14Å
209F96.8Very high92.7Very high2 Ų248.9 Ų48.91%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-60.8131.9175179.1-101.1000110.9A67 L70 M167 F170 Y194 G211 Y212 L235A67-F209 WeakPolarHBondContact O-CB 3.12Å; A67-F209 PolarHBondContact O-N 2.83Å; L70-F209 HydrophobicContact CD1-CB 4.49Å; L70-F209 HydrophobicContact CD1-CD1 3.85Å; L70-F209 HydrophobicContact CD1-CD2 4.48Å; L70-F209 HydrophobicContact CD1-CE1 4.13Å; L70-F209 HydrophobicContact CD1-CG 4.03Å; L70-F209 HydrophobicContact CD2-CB 4.1Å; L70-F209 HydrophobicContact CD2-CD1 3.94Å; L70-F209 HydrophobicContact CD2-CG 4.27Å; L70-F209 HydrophobicContact CG-CB 4.39Å; L70-F209 HydrophobicContact CG-CD1 4.38Å; L70-F209 HydrophobicContact CG-CG 4.43Å; M167-F209 HydrophobicContact CB-CZ 4.23Å; M167-F209 HydrophobicContact CE-CD2 4.07Å; M167-F209 HydrophobicContact CE-CE2 3.66Å; M167-F209 HydrophobicContact CE-CZ 4.4Å; M167-F209 HydrophobicContact CG-CE1 4.35Å; M167-F209 HydrophobicContact CG-CE2 3.87Å; M167-F209 HydrophobicContact CG-CZ 3.69Å; M167-F209 HydrophobicContact SD-CD2 4.49Å; M167-F209 HydrophobicContact SD-CE2 3.55Å; M167-F209 VanDerWaalsContact SD-CE2 3.55Å; M167-F209 HydrophobicContact SD-CZ 3.81Å; F170-F209 HydrophobicContact CE2-CE1 4.39Å; Y194-F209 HydrophobicContact CD1-CB 4.23Å; Y194-F209 HydrophobicContact CE1-CB 4.22Å; Y194-F209 HydrophobicContact CE1-CD2 4.05Å; F209-G211 WeakPolarHBondContact CE2-O 3.48Å; F209-G211 VanDerWaalsContact CZ-C 3.5Å; F209-Y212 HydrophobicContact CZ-CD1 4.08Å; F209-L235 HydrophobicContact CD1-CD1 3.84Å; F209-L235 HydrophobicContact CE1-CD1 4.02Å; F209-L235 HydrophobicContact CE1-CG 4.36Å
210I96.8Very high93.1Very high0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-122.8-13.4178.167.5160.7000113.7F145 I193 E195 L235 F238 H243F145-I210 HydrophobicContact CD1-CD1 3.68Å; F145-I210 HydrophobicContact CE1-CD1 3.89Å; I193-I210 HydrophobicContact CB-CD1 4.39Å; I193-I210 HydrophobicContact CB-CG1 3.98Å; I193-I210 HydrophobicContact CD1-CD1 3.71Å; I193-I210 HydrophobicContact CD1-CG1 4.23Å; I193-I210 HydrophobicContact CG1-CD1 3.63Å; I193-I210 HydrophobicContact CG1-CG1 3.73Å; I193-I210 HydrophobicContact CG2-CD1 4.14Å; I193-I210 HydrophobicContact CG2-CG1 3.52Å; I193-I210 VanDerWaalsContact O-CG1 3.3Å; I193-I210 WeakPolarHBondContact O-CG1 3.11Å; I193-I210 PolarHBondContact O-N 3.27Å; E195-I210 HydrophobicContact CB-CG2 3.97Å; I210-L235 PolarHBondContact O-N 2.96Å; I210-F238 HydrophobicContact CB-CB 4.26Å; I210-F238 HydrophobicContact CB-CD2 3.47Å; I210-F238 VanDerWaalsContact CB-CD2 3.47Å; I210-F238 HydrophobicContact CB-CE2 3.93Å; I210-F238 HydrophobicContact CB-CG 3.82Å; I210-F238 HydrophobicContact CG2-CD1 4.07Å; I210-F238 HydrophobicContact CG2-CD2 3.64Å; I210-F238 HydrophobicContact CG2-CE1 4.15Å; I210-F238 HydrophobicContact CG2-CE2 3.68Å; I210-F238 HydrophobicContact CG2-CG 3.85Å; I210-F238 HydrophobicContact CG2-CZ 3.96Å; I210-H243 HydrophobicContact CD1-CB 4.33Å
211G98.1Very high93.6Very high0 Ų051.7 Ų51.70%025%0.246CC..EExtended strand (participates in β ladder)trans160.6179.1-177.500000113.9I193 F209 L233I193-G211 WeakPolarHBondContact CG2-O 3.08Å; I193-G211 PolarHBondContact N-O 2.74Å; F209-G211 WeakPolarHBondContact CE2-O 3.48Å; F209-G211 VanDerWaalsContact CZ-C 3.5Å; G211-L233 CarbonylContact C-O 3.54Å; G211-L233 WeakPolarHBondContact CA-O 3.46Å
212Y98.2Very high94.1Very high0 Ų046.9 Ų46.90%022%0.224CC..EExtended strand (participates in β ladder)trans-157.5171177.781.1-66000112.1H164 M167 L171 Y191 F209 T214 L233H164-Y212 AromaticContact CD2-CE2 3.94Å; H164-Y212 AromaticContact NE2-CE2 3.52Å; M167-Y212 HydrophobicContact CB-CD1 4.32Å; M167-Y212 HydrophobicContact CB-CE1 4.1Å; M167-Y212 HydrophobicContact SD-CD1 4.36Å; M167-Y212 HydrophobicContact SD-CD2 4.29Å; M167-Y212 HydrophobicContact SD-CG 4.04Å; L171-Y212 WeakPolarHBondContact CD1-OH 3.44Å; L171-Y212 HydrophobicContact CD2-CE1 4Å; L171-Y212 WeakPolarHBondContact CD2-OH 3.39Å; L171-Y212 VanDerWaalsContact CG-OH 3.29Å; L171-Y212 WeakPolarHBondContact CG-OH 3.33Å; Y191-Y212 CarbonylContact O-C 3.51Å; Y191-Y212 WeakPolarHBondContact O-CA 3.49Å; Y191-Y212 VanDerWaalsContact O-CB 3.26Å; Y191-Y212 WeakPolarHBondContact O-CB 3.24Å; F209-Y212 HydrophobicContact CZ-CD1 4.08Å; Y212-T214 HydrophobicContact CD2-CG2 3.87Å; Y212-T214 HydrophobicContact CE2-CG2 3.4Å; Y212-T214 VanDerWaalsContact CE2-CG2 3.4Å; Y212-L233 HydrophobicContact CD1-CB 4.02Å; Y212-L233 HydrophobicContact CD1-CD2 4.37Å; Y212-L233 HydrophobicContact CE1-CB 3.96Å; Y212-L233 HydrophobicContact CE1-CD2 4.03Å; Y212-L233 PolarHBondContact N-O 2.87Å; Y212-L233 PolarHBondContact O-N 3.37Å
213M98.2Very high94.6Very high0 Ų050.1 Ų50.10%023%0.233CC..EExtended strand (participates in β ladder)trans-141.5135.6173.9169.3174.676.600110.3Y191 V215 V229 Q231 V232 L247 F251Y191-M213 HydrophobicContact CD2-CE 3.62Å; Y191-M213 HydrophobicContact CE2-CE 4.14Å; Y191-M213 HydrophobicContact CG-CE 3.98Å; Y191-M213 PolarHBondContact N-O 2.84Å; Y191-M213 PolarHBondContact O-N 3.29Å; M213-V215 HydrophobicContact CE-CG2 4.29Å; M213-V215 HydrophobicContact CG-CG2 4.34Å; M213-V229 HydrophobicContact CG-CG1 3.9Å; M213-V229 HydrophobicContact SD-CG1 3.76Å; M213-V229 HydrophobicContact SD-CG2 4.09Å; M213-Q231 CarbonylContact C-O 3.44Å; M213-Q231 WeakPolarHBondContact CA-O 3.5Å; M213-V232 HydrophobicContact CB-CG2 4.27Å; M213-V232 HydrophobicContact CG-CG2 3.85Å; M213-V232 HydrophobicContact SD-CG2 4.03Å; M213-L247 HydrophobicContact CB-CD1 4.19Å; M213-L247 HydrophobicContact CE-CB 4.35Å; M213-F251 HydrophobicContact CE-CB 3.4Å; M213-F251 VanDerWaalsContact CE-CB 3.4Å; M213-F251 HydrophobicContact CE-CD1 4.45Å; M213-F251 HydrophobicContact CE-CG 3.95Å
214T97.7Very high95.1Very high0 Ų050 Ų500%022%0.223CC..EExtended strand (participates in β ladder)trans-104.7142.7173.762.70000110.9I181 C189 Y190 Y212 S230 Q231I181-T214 HydrophobicContact CD1-CG2 4.23Å; C189-T214 WeakPolarHBondContact O-CA 3.33Å; Y190-T214 HydrophobicContact CD1-CG2 3.85Å; Y190-T214 HydrophobicContact CE1-CG2 4.04Å; Y212-T214 HydrophobicContact CD2-CG2 3.87Å; Y212-T214 HydrophobicContact CE2-CG2 3.4Å; Y212-T214 VanDerWaalsContact CE2-CG2 3.4Å; T214-S230 PolarHBondContact O-N 2.93Å; T214-Q231 HydrophobicContact CG2-CB 4.48Å; T214-Q231 PolarHBondContact N-O 2.94Å; T214-Q231 WeakPolarHBondContact OG1-CB 3.11Å; T214-Q231 PolarHBondContact OG1-N 3.16Å; T214-Q231 PolarHBondContact OG1-OE1 3.11Å
215V97.9Very high95.5Very high0 Ų045.5 Ų45.50%021%0.205CC..EExtended strand (participates in β ladder)trans-132.2129.1178.8179.20000108.8C189 Y191 M213 P227 R228 V229 F251C189-V215 PolarHBondContact N-O 3.2Å; C189-V215 PolarHBondContact O-N 3.21Å; Y191-V215 HydrophobicContact CD2-CG2 4.25Å; Y191-V215 HydrophobicContact CE2-CG2 4.08Å; M213-V215 HydrophobicContact CE-CG2 4.29Å; M213-V215 HydrophobicContact CG-CG2 4.34Å; V215-P227 HydrophobicContact CG1-CB 3.92Å; V215-R228 CarbonylContact C-O 3.51Å; V215-R228 WeakPolarHBondContact CA-O 3.27Å; V215-V229 HydrophobicContact CG2-CG2 4.39Å; V215-F251 HydrophobicContact CB-CE2 4.37Å; V215-F251 HydrophobicContact CG1-CD2 4.42Å; V215-F251 HydrophobicContact CG1-CE2 3.64Å; V215-F251 HydrophobicContact CG1-CZ 4.1Å; V215-F251 HydrophobicContact CG2-CD2 3.9Å; V215-F251 HydrophobicContact CG2-CE2 3.85Å; V215-F251 HydrophobicContact CG2-CZ 4.37Å
216Y97.5Very high95.9Very high43 Ų4347.2 Ų47.217%0.16921%0.207CC..EExtended strand (participates in β ladder)trans-99.4127.5170.6-164.7-95.6000110.8D185 Q187 W188 F218 P227 R228D185-Y216 HydrophobicContact CB-CE2 4.44Å; D185-Y216 WeakPolarHBondContact OD2-CE2 3.36Å; D185-Y216 VanDerWaalsContact OD2-CZ 3.29Å; D185-Y216 PolarHBondContact OD2-OH 2.86Å; Q187-Y216 HydrophobicContact CB-CD1 4.48Å; Q187-Y216 HydrophobicContact CB-CD2 4.06Å; Q187-Y216 HydrophobicContact CB-CE1 4.11Å; Q187-Y216 HydrophobicContact CB-CE2 3.64Å; Q187-Y216 HydrophobicContact CB-CG 4.5Å; W188-Y216 AromaticContact CD2-CD2 3.6Å; W188-Y216 HydrophobicContact CD2-CD2 3.6Å; W188-Y216 HydrophobicContact CD2-CE2 4.41Å; W188-Y216 AromaticContact CE2-CD2 3.41Å; W188-Y216 VanDerWaalsContact CE2-CD2 3.41Å; W188-Y216 AromaticContact CE2-CE2 3.98Å; W188-Y216 AromaticContact CE3-CD2 3.97Å; W188-Y216 HydrophobicContact CE3-CD2 3.97Å; W188-Y216 HydrophobicContact CE3-CG 4.48Å; W188-Y216 HydrophobicContact CG-CD2 4.1Å; W188-Y216 AromaticContact CH2-CD2 4Å; W188-Y216 HydrophobicContact CH2-CD2 4Å; W188-Y216 HydrophobicContact CH2-CG 4.33Å; W188-Y216 AromaticContact CZ2-CD2 3.62Å; W188-Y216 HydrophobicContact CZ2-CD2 3.62Å; W188-Y216 HydrophobicContact CZ2-CE2 4.32Å; W188-Y216 HydrophobicContact CZ2-CG 4.35Å; W188-Y216 HydrophobicContact CZ3-CD2 4.17Å; W188-Y216 HydrophobicContact CZ3-CG 4.4Å; W188-Y216 AromaticContact NE1-CD2 3.79Å; W188-Y216 AromaticContact NE1-CE2 3.9Å; Y216-F218 HydrophobicContact CD1-CB 4.45Å; Y216-F218 AromaticContact CD1-CD1 3.71Å; Y216-F218 HydrophobicContact CD1-CD1 3.71Å; Y216-F218 AromaticContact CD1-CD2 3.5Å; Y216-F218 HydrophobicContact CD1-CD2 3.5Å; Y216-F218 VanDerWaalsContact CD1-CD2 3.5Å; Y216-F218 AromaticContact CD1-CE1 3.6Å; Y216-F218 HydrophobicContact CD1-CE1 3.6Å; Y216-F218 AromaticContact CD1-CE2 3.35Å; Y216-F218 HydrophobicContact CD1-CE2 3.35Å; Y216-F218 AromaticContact CD1-CG 3.64Å; Y216-F218 HydrophobicContact CD1-CG 3.64Å; Y216-F218 AromaticContact CD1-CZ 3.4Å; Y216-F218 HydrophobicContact CD1-CZ 3.4Å; Y216-F218 VanDerWaalsContact CD1-CZ 3.4Å; Y216-F218 AromaticContact CE1-CD1 3.68Å; Y216-F218 HydrophobicContact CE1-CD1 3.68Å; Y216-F218 HydrophobicContact CE1-CD2 4.32Å; Y216-F218 AromaticContact CE1-CE1 3.6Å; Y216-F218 HydrophobicContact CE1-CE1 3.6Å; Y216-F218 HydrophobicContact CE1-CE2 4.22Å; Y216-F218 HydrophobicContact CE1-CG 4.03Å; Y216-F218 AromaticContact CE1-CZ 3.87Å; Y216-F218 HydrophobicContact CE1-CZ 3.87Å; Y216-F218 HydrophobicContact CG-CD2 4.36Å; Y216-F218 AromaticContact CG-CE2 3.96Å; Y216-F218 HydrophobicContact CG-CE2 3.96Å; Y216-F218 HydrophobicContact CG-CZ 4.12Å; Y216-F218 PolarHBondContact O-N 2.8Å; Y216-P227 CarbonylContact O-C 3.52Å; Y216-P227 WeakPolarHBondContact O-CA 3.43Å; Y216-R228 PolarHBondContact N-O 3.01Å; Y216-R228 PolarHBondContact O-N 2.63Å
217K97Very high96.1Very high33 Ų3344.7 Ų44.714%0.14320%0.197CC..EExtended strand (participates in β ladder)trans-85.781.1176.9-69.2169.1174.5160.80111.1E151 Q187 C189 Y219 L225 F255E151-K217 IonicContact OE2-NZ 3.47Å; E151-K217 PolarHBondContact OE2-NZ 3.36Å; Q187-K217 HydrophobicContact CB-CB 4.31Å; Q187-K217 PolarHBondContact O-N 3.29Å; Q187-K217 PolarHBondContact OE1-O 3.46Å; C189-K217 WeakPolarHBondContact SG-CE 3.34Å; C189-K217 PolarHBondContact SG-NZ 3.28Å; K217-Y219 PolarHBondContact O-N 2.56Å; K217-L225 HydrophobicContact CB-CD2 4.47Å; K217-F255 HydrophobicContact CG-CE1 4.19Å; K217-F255 HydrophobicContact CG-CZ 4.35Å
218F96.9Very high96.3Very high67 Ų6746.5 Ų46.529%0.29420%0.203SC..EExtended strand (participates in β ladder)trans-62.8132.5176.7-74-83000111.5Y216 A220 L225 R226 R228Y216-F218 HydrophobicContact CD1-CB 4.45Å; Y216-F218 AromaticContact CD1-CD1 3.71Å; Y216-F218 HydrophobicContact CD1-CD1 3.71Å; Y216-F218 AromaticContact CD1-CD2 3.5Å; Y216-F218 HydrophobicContact CD1-CD2 3.5Å; Y216-F218 VanDerWaalsContact CD1-CD2 3.5Å; Y216-F218 AromaticContact CD1-CE1 3.6Å; Y216-F218 HydrophobicContact CD1-CE1 3.6Å; Y216-F218 AromaticContact CD1-CE2 3.35Å; Y216-F218 HydrophobicContact CD1-CE2 3.35Å; Y216-F218 AromaticContact CD1-CG 3.64Å; Y216-F218 HydrophobicContact CD1-CG 3.64Å; Y216-F218 AromaticContact CD1-CZ 3.4Å; Y216-F218 HydrophobicContact CD1-CZ 3.4Å; Y216-F218 VanDerWaalsContact CD1-CZ 3.4Å; Y216-F218 AromaticContact CE1-CD1 3.68Å; Y216-F218 HydrophobicContact CE1-CD1 3.68Å; Y216-F218 HydrophobicContact CE1-CD2 4.32Å; Y216-F218 AromaticContact CE1-CE1 3.6Å; Y216-F218 HydrophobicContact CE1-CE1 3.6Å; Y216-F218 HydrophobicContact CE1-CE2 4.22Å; Y216-F218 HydrophobicContact CE1-CG 4.03Å; Y216-F218 AromaticContact CE1-CZ 3.87Å; Y216-F218 HydrophobicContact CE1-CZ 3.87Å; Y216-F218 HydrophobicContact CG-CD2 4.36Å; Y216-F218 AromaticContact CG-CE2 3.96Å; Y216-F218 HydrophobicContact CG-CE2 3.96Å; Y216-F218 HydrophobicContact CG-CZ 4.12Å; Y216-F218 PolarHBondContact O-N 2.8Å; F218-A220 PolarHBondContact O-N 3.4Å; F218-L225 CarbonylContact O-C 3.52Å; F218-L225 WeakPolarHBondContact O-CA 3.46Å; F218-R226 HydrophobicContact CB-CB 4.29Å; F218-R226 WeakPolarHBondContact CB-O 3.16Å; F218-R226 PolarHBondContact N-O 2.92Å; F218-R226 PolarHBondContact O-N 2.64Å; F218-R228 HydrophobicContact CD2-CB 3.7Å; F218-R228 HydrophobicContact CE2-CB 3.65Å; F218-R228 HydrophobicContact CE2-CG 4.29Å; F218-R228 VanDerWaalsContact CE2-CZ 3.42Å; F218-R228 VanDerWaalsContact CZ-CZ 3.43Å
219Y95.8Very high96.5Very high147 Ų14746.5 Ų46.558%0.57620%0.203SC*.EExtended strand (participates in β ladder)trans-64.4128.2167.1173.4-106.7000110.2K217 Y221 P222K217-Y219 PolarHBondContact O-N 2.56Å; Y219-Y221 HydrophobicContact CE1-CD2 4.45Å; Y219-P222 WeakPolarHBondContact OH-CA 3.31Å; Y219-P222 PolarHBondContact OH-O 3.25Å
220A94.1Very high96.4Very high12 Ų1247.6 Ų47.610%0.09921%0.211CC..EExtended strand (participates in β ladder)trans-116.6113.5172.200000108.9F218 K223 N224 R226 I262F218-A220 PolarHBondContact O-N 3.4Å; A220-K223 PolarHBondContact O-N 2.92Å; A220-N224 HydrophobicContact CB-CB 3.9Å; A220-N224 PolarHBondContact N-O 3.49Å; A220-N224 CarbonylContact O-C 3.4Å; A220-N224 VanDerWaalsContact O-CA 3.31Å; A220-N224 WeakPolarHBondContact O-CA 3.41Å; A220-N224 VanDerWaalsContact O-CB 3.28Å; A220-N224 WeakPolarHBondContact O-CB 3.42Å; A220-N224 PolarHBondContact O-N 3.42Å; A220-R226 HydrophobicContact CB-CB 4.42Å; A220-I262 HydrophobicContact CB-CD1 3.53Å; A220-I262 HydrophobicContact CB-CG1 4.01Å
221Y92.1Very high96.4Very high192 Ų19248.1 Ų48.175%0.75321%0.213SC*.THydrogen-bonded Turntrans-52.2141.9-178.1-177.6-89.5000112.4Y219Y219-Y221 HydrophobicContact CE1-CD2 4.45Å
222P92.3Very high96.3Very high72 Ų7249.7 Ų49.747%0.46822%0.223SC..THydrogen-bonded Turncis-91.6-14-0.932.6-32.8000115.2Y219Y219-P222 WeakPolarHBondContact OH-CA 3.31Å; Y219-P222 PolarHBondContact OH-O 3.25Å
223K92.4Very high96.3Very high168 Ų16849.8 Ų49.873%0.7322%0.223SC*.THydrogen-bonded Turntrans-157.520.2-173.563.8179.4-179.6179.10113.6A220A220-K223 PolarHBondContact O-N 2.92Å
224N96.4Very high96.3Very high39 Ų3950.5 Ų50.521%0.20923%0.227CC..EExtended strand (participates in β ladder)trans-104.5170.5-173.3-59.9-55.1000110.8A220 N260 I262A220-N224 HydrophobicContact CB-CB 3.9Å; A220-N224 PolarHBondContact N-O 3.49Å; A220-N224 CarbonylContact O-C 3.4Å; A220-N224 VanDerWaalsContact O-CA 3.31Å; A220-N224 WeakPolarHBondContact O-CA 3.41Å; A220-N224 VanDerWaalsContact O-CB 3.28Å; A220-N224 WeakPolarHBondContact O-CB 3.42Å; A220-N224 PolarHBondContact O-N 3.42Å; N224-N260 CarbonylContact C-O 3.55Å; N224-N260 WeakPolarHBondContact CA-O 3.44Å; N224-N260 VanDerWaalsContact CB-O 3.22Å; N224-N260 WeakPolarHBondContact CB-O 3.32Å; N224-I262 HydrophobicContact CB-CG2 3.65Å
225L96.5Very high96.3Very high32 Ų3250.5 Ų50.517%0.16823%0.227CC..EExtended strand (participates in β ladder)trans-120.3144.5175.5-62.7176.9000110K217 F218 N260 V261 I262K217-L225 HydrophobicContact CB-CD2 4.47Å; F218-L225 CarbonylContact O-C 3.52Å; F218-L225 WeakPolarHBondContact O-CA 3.46Å; L225-N260 PolarHBondContact N-O 3.19Å; L225-V261 HydrophobicContact CB-CG2 4.26Å; L225-V261 WeakPolarHBondContact O-CA 3.41Å; L225-I262 WeakPolarHBondContact O-CG1 3.49Å; L225-I262 PolarHBondContact O-N 3.36Å
226R97.6Very high96.2Very high100 Ų10052 Ų5238%0.37724%0.237SC..EExtended strand (participates in β ladder)trans-122.985.5165.1176174.3-76.3148.6-2.8108.2F218 A220 R228 I262 D263 A265F218-R226 HydrophobicContact CB-CB 4.29Å; F218-R226 WeakPolarHBondContact CB-O 3.16Å; F218-R226 PolarHBondContact N-O 2.92Å; F218-R226 PolarHBondContact O-N 2.64Å; A220-R226 HydrophobicContact CB-CB 4.42Å; R226-R228 PolarHBondContact O-N 3.2Å; R226-I262 HydrophobicContact CB-CD1 4.49Å; R226-I262 HydrophobicContact CB-CG1 4.34Å; R226-I262 VanDerWaalsContact NH2-CD1 3.28Å; R226-D263 WeakPolarHBondContact CD-OD1 3.43Å; R226-D263 WeakPolarHBondContact CG-OD1 3.45Å; R226-D263 IonicContact CZ-OD1 2.63Å; R226-D263 IonicContact CZ-OD2 2.64Å; R226-D263 IonicContact NE-OD1 3.49Å; R226-D263 PolarHBondContact NE-OD1 3.01Å; R226-D263 IonicContact NE-OD2 2.92Å; R226-D263 PolarHBondContact NE-OD2 3.35Å; R226-D263 IonicContact NH2-OD1 3.51Å; R226-D263 IonicContact NH2-OD2 3.57Å; R226-D263 PolarHBondContact NH2-OD2 3.39Å; R226-A265 HydrophobicContact CG-CB 4.26Å
227P97.9Very high96Very high0 Ų052.5 Ų52.50%025%0.245CC..EExtended strand (participates in β ladder)trans-59.5127.2173.6-20.633.2000109.9V215 Y216 F251 F255 V261 A265V215-P227 HydrophobicContact CG1-CB 3.92Å; Y216-P227 CarbonylContact O-C 3.52Å; Y216-P227 WeakPolarHBondContact O-CA 3.43Å; P227-F251 HydrophobicContact CB-CE2 3.9Å; P227-F251 HydrophobicContact CB-CZ 3.81Å; P227-F255 HydrophobicContact CB-CD1 3.93Å; P227-F255 HydrophobicContact CB-CE1 4.06Å; P227-F255 HydrophobicContact CB-CG 4.29Å; P227-F255 HydrophobicContact CG-CB 4.29Å; P227-F255 HydrophobicContact CG-CD1 3.23Å; P227-F255 HydrophobicContact CG-CE1 3.61Å; P227-F255 HydrophobicContact CG-CG 3.89Å; P227-V261 HydrophobicContact CG-CG1 4.16Å; P227-V261 HydrophobicContact CG-CG2 4.06Å; P227-A265 PolarHBondContact O-N 2.89Å
228R97.8Very high96Very high68 Ų6851.9 Ų51.926%0.25724%0.243SC..EExtended strand (participates in β ladder)trans-116.7119.4175.5-172.917481.5-171.53.1108.9V215 Y216 F218 R226 S230 A265 E267V215-R228 CarbonylContact C-O 3.51Å; V215-R228 WeakPolarHBondContact CA-O 3.27Å; Y216-R228 PolarHBondContact N-O 3.01Å; Y216-R228 PolarHBondContact O-N 2.63Å; F218-R228 HydrophobicContact CD2-CB 3.7Å; F218-R228 HydrophobicContact CE2-CB 3.65Å; F218-R228 HydrophobicContact CE2-CG 4.29Å; F218-R228 VanDerWaalsContact CE2-CZ 3.42Å; F218-R228 VanDerWaalsContact CZ-CZ 3.43Å; R226-R228 PolarHBondContact O-N 3.2Å; R228-S230 PolarHBondContact O-N 3.35Å; R228-A265 WeakPolarHBondContact CA-O 3.44Å; R228-A265 HydrophobicContact CB-CB 4Å; R228-A265 HydrophobicContact CG-CB 3.83Å; R228-E267 HydrophobicContact CG-CB 4.24Å; R228-E267 IonicContact CZ-OE1 3.35Å; R228-E267 IonicContact CZ-OE2 3.98Å; R228-E267 IonicContact NE-OE2 2.55Å; R228-E267 PolarHBondContact NE-OE2 3.2Å; R228-E267 IonicContact NH2-OE1 3.2Å; R228-E267 PolarHBondContact NH2-OE1 2.76Å; R228-E267 IonicContact NH2-OE2 2.89Å; R228-E267 PolarHBondContact NH2-OE2 3.46Å
229V97.8Very high95.9Very high1 Ų152 Ų521%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-65126.3166.8178.90000107.5M213 V215 V232 L248 F251 A265 V266 E267 F273M213-V229 HydrophobicContact CG-CG1 3.9Å; M213-V229 HydrophobicContact SD-CG1 3.76Å; M213-V229 HydrophobicContact SD-CG2 4.09Å; V215-V229 HydrophobicContact CG2-CG2 4.39Å; V229-V232 HydrophobicContact CG1-CG2 3.38Å; V229-L248 HydrophobicContact CG2-CD1 4.49Å; V229-F251 HydrophobicContact CG2-CD1 3.98Å; V229-F251 HydrophobicContact CG2-CE1 3.5Å; V229-F251 VanDerWaalsContact CG2-CE1 3.5Å; V229-F251 HydrophobicContact CG2-CZ 4.03Å; V229-A265 PolarHBondContact N-O 3.48Å; V229-V266 HydrophobicContact CB-CG1 4.33Å; V229-V266 HydrophobicContact CB-CG2 4.09Å; V229-V266 HydrophobicContact CG2-CG2 4.37Å; V229-V266 CarbonylContact O-C 3.59Å; V229-V266 WeakPolarHBondContact O-CA 3.49Å; V229-E267 PolarHBondContact O-N 3.49Å; V229-F273 HydrophobicContact CG1-CZ 4.25Å
230S96.1Very high95.7Very high25 Ų2553.2 Ų53.218%0.17526%0.258CS..EExtended strand (participates in β ladder)trans-103.6-69.4-178.4-174.20000110.1T214 R228 E267T214-S230 PolarHBondContact O-N 2.93Å; R228-S230 PolarHBondContact O-N 3.35Å; S230-E267 VanDerWaalsContact CB-OE2 3.3Å; S230-E267 WeakPolarHBondContact CB-OE2 3.48Å; S230-E267 PolarHBondContact OG-OE2 3.06Å
231Q95.9Very high95.6Very high12 Ų1254.9 Ų54.96%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-111.3139-178.4-58155.8-22.100109.9L171 S179 M213 T214L171-Q231 HydrophobicContact CD1-CG 4.15Å; L171-Q231 VanDerWaalsContact CD1-NE2 3.3Å; L171-Q231 HydrophobicContact CD2-CB 4.4Å; S179-Q231 PolarHBondContact O-NE2 3.17Å; M213-Q231 CarbonylContact C-O 3.44Å; M213-Q231 WeakPolarHBondContact CA-O 3.5Å; T214-Q231 HydrophobicContact CG2-CB 4.48Å; T214-Q231 PolarHBondContact N-O 2.94Å; T214-Q231 WeakPolarHBondContact OG1-CB 3.11Å; T214-Q231 PolarHBondContact OG1-N 3.16Å; T214-Q231 PolarHBondContact OG1-OE1 3.11Å
232V97Very high95.7Very high32 Ų3247.3 Ų47.319%0.19425%0.245CC..EExtended strand (participates in β ladder)trans-136114.9172.4-175.20000108.5M213 V229 F273M213-V232 HydrophobicContact CB-CG2 4.27Å; M213-V232 HydrophobicContact CG-CG2 3.85Å; M213-V232 HydrophobicContact SD-CG2 4.03Å; V229-V232 HydrophobicContact CG1-CG2 3.38Å; V232-F273 HydrophobicContact CB-CD2 4.2Å; V232-F273 HydrophobicContact CB-CE2 4.03Å; V232-F273 HydrophobicContact CG1-CD2 4.19Å; V232-F273 HydrophobicContact CG1-CE2 3.9Å; V232-F273 HydrophobicContact CG2-CD2 4.16Å; V232-F273 HydrophobicContact CG2-CE2 3.61Å; V232-F273 HydrophobicContact CG2-CZ 3.87Å
233L97.3Very high96Very high2 Ų244.1 Ų44.11%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-123.9125.3179.4177.966.6000109.8F170 L171 F174 G211 Y212 L235F170-L233 HydrophobicContact CB-CD2 3.47Å; F170-L233 VanDerWaalsContact CB-CD2 3.47Å; F170-L233 HydrophobicContact CG-CD2 4.31Å; L171-L233 HydrophobicContact CD2-CB 4.25Å; L171-L233 HydrophobicContact CD2-CD2 4.3Å; F174-L233 HydrophobicContact CB-CD1 3.61Å; F174-L233 HydrophobicContact CD2-CD1 4.2Å; F174-L233 HydrophobicContact CG-CD1 4.14Å; G211-L233 CarbonylContact C-O 3.54Å; G211-L233 WeakPolarHBondContact CA-O 3.46Å; Y212-L233 HydrophobicContact CD1-CB 4.02Å; Y212-L233 HydrophobicContact CD1-CD2 4.37Å; Y212-L233 HydrophobicContact CE1-CB 3.96Å; Y212-L233 HydrophobicContact CE1-CD2 4.03Å; Y212-L233 PolarHBondContact N-O 2.87Å; Y212-L233 PolarHBondContact O-N 3.37Å; L233-L235 HydrophobicContact CD2-CD2 4.04Å; L233-L235 HydrophobicContact CG-CD2 4.36Å
234I97.9Very high96.2Very high15 Ų1536.8 Ų36.88%0.07720%0.195CC..EExtended strand (participates in β ladder)trans-117.1125.2161.1-59.3-61.2000106.5I193 F238 R239 H243 A244 L247I193-I234 HydrophobicContact CG2-CD1 4.06Å; I234-F238 HydrophobicContact CG2-CB 3.91Å; I234-R239 HydrophobicContact CB-CG 4.23Å; I234-R239 HydrophobicContact CG2-CG 4.03Å; I234-R239 WeakPolarHBondContact O-CG 3.27Å; I234-R239 PolarHBondContact O-NE 3.48Å; I234-H243 HydrophobicContact CD1-CB 3.78Å; I234-H243 HydrophobicContact CG1-CB 4.26Å; I234-H243 HydrophobicContact CG2-CB 4.36Å; I234-A244 HydrophobicContact CG1-CB 4.01Å; I234-L247 HydrophobicContact CD1-CD1 3.76Å
235L97.4Very high96.3Very high0 Ų037 Ų370%020%0.197CC..  trans-62.2142.8-178.1-61.9177.5000110.2L25 F170 F209 I210 L233 P237 F238 R239L25-L235 HydrophobicContact CD1-CD1 3.62Å; L25-L235 HydrophobicContact CD2-CD1 3.97Å; L25-L235 HydrophobicContact CG-CD1 4.34Å; F170-L235 HydrophobicContact CB-CD2 4.29Å; F170-L235 HydrophobicContact CD1-CD2 3.86Å; F170-L235 HydrophobicContact CD2-CD2 4.05Å; F170-L235 HydrophobicContact CE1-CD2 4.1Å; F170-L235 HydrophobicContact CE2-CD1 4.4Å; F170-L235 HydrophobicContact CE2-CD2 4.31Å; F170-L235 HydrophobicContact CG-CD2 3.82Å; F170-L235 HydrophobicContact CZ-CD1 4.29Å; F170-L235 HydrophobicContact CZ-CD2 4.32Å; F209-L235 HydrophobicContact CD1-CD1 3.84Å; F209-L235 HydrophobicContact CE1-CD1 4.02Å; F209-L235 HydrophobicContact CE1-CG 4.36Å; I210-L235 PolarHBondContact O-N 2.96Å; L233-L235 HydrophobicContact CD2-CD2 4.04Å; L233-L235 HydrophobicContact CG-CD2 4.36Å; L235-P237 VanDerWaalsContact C-N 3.34Å; L235-P237 VanDerWaalsContact O-N 3.12Å; L235-F238 HydrophobicContact CB-CD2 3.93Å; L235-F238 HydrophobicContact CB-CE2 4.18Å; L235-F238 PolarHBondContact O-N 3.27Å; L235-R239 PolarHBondContact O-N 3.07Å
236P96.3Very high96.4Very high33 Ų3337.3 Ų37.321%0.21420%0.198CC..G310 helixtrans-47.3-43.6-170.7-29.134.8000115.9F38 F174 F238 R239F38-P236 HydrophobicContact CB-CB 4.14Å; F38-P236 HydrophobicContact CB-CG 4.48Å; F38-P236 HydrophobicContact CD2-CB 4.08Å; F38-P236 HydrophobicContact CD2-CG 3.59Å; F38-P236 HydrophobicContact CE2-CG 4.13Å; F38-P236 HydrophobicContact CG-CB 4.27Å; F38-P236 HydrophobicContact CG-CG 4.28Å; F174-P236 HydrophobicContact CD1-CG 3.87Å; F174-P236 HydrophobicContact CE1-CG 3.34Å; F174-P236 HydrophobicContact CZ-CG 3.83Å; P236-F238 PolarHBondContact O-N 3.15Å; P236-R239 PolarHBondContact O-N 3.42Å; P236-R239 VanDerWaalsContact O-N 3.15Å
237P94.5Very high96.4Very high53 Ų5332.6 Ų32.634%0.34418%0.18SC..G310 helixtrans-60.9-19.8-179.8-24.836000114.7F38 L235F38-P237 HydrophobicContact CB-CG 4.32Å; F38-P237 HydrophobicContact CD1-CG 3.41Å; F38-P237 VanDerWaalsContact CD1-CG 3.41Å; F38-P237 HydrophobicContact CE1-CG 3.84Å; F38-P237 HydrophobicContact CG-CG 3.96Å; L235-P237 VanDerWaalsContact C-N 3.34Å; L235-P237 VanDerWaalsContact O-N 3.12Å
238F95.2Very high96.4Very high20 Ų2032.6 Ų32.69%0.08818%0.18CC..G310 helixtrans-105.9-5.8-176.5-46.3-60.2000113.2L25 I210 I234 L235 P236 N241 H243L25-F238 HydrophobicContact CD1-CE2 3.52Å; L25-F238 HydrophobicContact CD1-CZ 3.85Å; I210-F238 HydrophobicContact CB-CB 4.26Å; I210-F238 HydrophobicContact CB-CD2 3.47Å; I210-F238 VanDerWaalsContact CB-CD2 3.47Å; I210-F238 HydrophobicContact CB-CE2 3.93Å; I210-F238 HydrophobicContact CB-CG 3.82Å; I210-F238 HydrophobicContact CG2-CD1 4.07Å; I210-F238 HydrophobicContact CG2-CD2 3.64Å; I210-F238 HydrophobicContact CG2-CE1 4.15Å; I210-F238 HydrophobicContact CG2-CE2 3.68Å; I210-F238 HydrophobicContact CG2-CG 3.85Å; I210-F238 HydrophobicContact CG2-CZ 3.96Å; I234-F238 HydrophobicContact CG2-CB 3.91Å; L235-F238 HydrophobicContact CB-CD2 3.93Å; L235-F238 HydrophobicContact CB-CE2 4.18Å; L235-F238 PolarHBondContact O-N 3.27Å; P236-F238 PolarHBondContact O-N 3.15Å; F238-N241 PolarHBondContact O-ND2 3.5Å; F238-H243 PolarHBondContact O-CD2 3.48Å
239R94.6Very high96.4Very high70 Ų7032.1 Ų32.126%0.26418%0.181SC..THydrogen-bonded Turntrans-62.2163.2179.2-66-178.4-174.7-1760.4111.9E41 I234 L235 P236 N241E41-R239 IonicContact OE1-CZ 3.33Å; E41-R239 IonicContact OE1-NH1 2.72Å; E41-R239 PolarHBondContact OE1-NH1 3.14Å; E41-R239 IonicContact OE1-NH2 3.48Å; E41-R239 IonicContact OE2-CZ 3.66Å; E41-R239 IonicContact OE2-NH1 3.57Å; E41-R239 PolarHBondContact OE2-NH1 3.14Å; E41-R239 IonicContact OE2-NH2 3.85Å; E41-R239 PolarHBondContact OE2-NH2 3.34Å; I234-R239 HydrophobicContact CB-CG 4.23Å; I234-R239 HydrophobicContact CG2-CG 4.03Å; I234-R239 WeakPolarHBondContact O-CG 3.27Å; I234-R239 PolarHBondContact O-NE 3.48Å; L235-R239 PolarHBondContact O-N 3.07Å; P236-R239 PolarHBondContact O-N 3.42Å; P236-R239 VanDerWaalsContact O-N 3.15Å; R239-N241 PolarHBondContact O-N 3.5Å; R239-N241 VanDerWaalsContact O-N 3.08Å; R239-N241 PolarHBondContact O-ND2 3.2Å
240N92Very high96.4Very high172 Ų17232.1 Ų32.192%0.9218%0.181SC*.THydrogen-bonded Turntrans62.98.1-178.6-58.2-44.1000116.6
241N92.9Very high96.5Very high46 Ų4630.9 Ų30.925%0.24617%0.173CC..SBendtrans-101.812.9174.9-57.7-71.3000113.4I136 F238 R239 H243I136-N241 HydrophobicContact CD1-CB 4.31Å; I136-N241 WeakPolarHBondContact CD1-O 3.3Å; F238-N241 PolarHBondContact O-ND2 3.5Å; R239-N241 PolarHBondContact O-N 3.5Å; R239-N241 VanDerWaalsContact O-N 3.08Å; R239-N241 PolarHBondContact O-ND2 3.2Å; N241-H243 PolarHBondContact O-N 3.37Å
242G94.7Very high96.6Very high33 Ų3330.8 Ų30.834%0.3417%0.172SC..SBendtrans79.28.8176.800000116A244 T245 Q246G242-A244 PolarHBondContact O-N 2.96Å; G242-T245 VanDerWaalsContact O-CB 3.27Å; G242-T245 WeakPolarHBondContact O-CB 3.39Å; G242-T245 PolarHBondContact O-N 3.2Å; G242-T245 VanDerWaalsContact O-N 3.15Å; G242-Q246 PolarHBondContact O-N 2.83Å; G242-Q246 VanDerWaalsContact O-N 3.07Å
243H97.7Very high96.6Very high5 Ų534.9 Ų34.92%0.02318%0.184CC..Hα-helixtrans-60.6-44178.9-61.6-39.7000113.7Y134 F145 I193 I210 I234 F238 N241 T245 Q246 L247Y134-H243 AromaticContact CE2-ND1 3.89Å; Y134-H243 AromaticContact CZ-ND1 3.72Å; Y134-H243 PolarHBondContact OH-CE1 3.48Å; Y134-H243 PolarHBondContact OH-ND1 3.05Å; F145-H243 AromaticContact CD1-CE1 3.86Å; F145-H243 AromaticContact CE1-CE1 3.47Å; F145-H243 VanDerWaalsContact CE1-CE1 3.47Å; F145-H243 WeakPolarHBondContact CE1-CE1 3.25Å; F145-H243 AromaticContact CE1-NE2 3.81Å; F145-H243 AromaticContact CE2-CE1 3.84Å; F145-H243 AromaticContact CZ-CE1 3.47Å; F145-H243 VanDerWaalsContact CZ-CE1 3.47Å; F145-H243 WeakPolarHBondContact CZ-CE1 3.36Å; F145-H243 AromaticContact CZ-NE2 3.91Å; I193-H243 HydrophobicContact CD1-CB 3.9Å; I210-H243 HydrophobicContact CD1-CB 4.33Å; I234-H243 HydrophobicContact CD1-CB 3.78Å; I234-H243 HydrophobicContact CG1-CB 4.26Å; I234-H243 HydrophobicContact CG2-CB 4.36Å; F238-H243 PolarHBondContact O-CD2 3.48Å; N241-H243 PolarHBondContact O-N 3.37Å; H243-T245 VanDerWaalsContact C-N 3.26Å; H243-T245 PolarHBondContact O-N 3.32Å; H243-Q246 WeakPolarHBondContact O-CB 3.32Å; H243-Q246 PolarHBondContact O-N 3.24Å; H243-L247 PolarHBondContact O-N 2.91Å
244A97.7Very high96.6Very high15 Ų1535.5 Ų35.512%0.12419%0.187CC..Hα-helixtrans-61-36.1174.600000112.1I234 G242 Q246 L247 L248 I276I234-A244 HydrophobicContact CG1-CB 4.01Å; G242-A244 PolarHBondContact O-N 2.96Å; A244-Q246 VanDerWaalsContact C-N 3.34Å; A244-L247 PolarHBondContact O-N 3.35Å; A244-L248 WeakPolarHBondContact O-CB 3.29Å; A244-L248 PolarHBondContact O-N 3.33Å; A244-I276 HydrophobicContact CB-CD1 3.88Å
245T97.3Very high96.6Very high42 Ų4235 Ų3526%0.25818%0.184SC..Hα-helixtrans-62.4-42172.6-50.60000111.3G242 H243 L248 Q249 L280G242-T245 VanDerWaalsContact O-CB 3.27Å; G242-T245 WeakPolarHBondContact O-CB 3.39Å; G242-T245 PolarHBondContact O-N 3.2Å; G242-T245 VanDerWaalsContact O-N 3.15Å; H243-T245 VanDerWaalsContact C-N 3.26Å; H243-T245 PolarHBondContact O-N 3.32Å; T245-L248 PolarHBondContact O-N 2.99Å; T245-Q249 HydrophobicContact CG2-CG 4.41Å; T245-Q249 WeakPolarHBondContact O-CB 3.49Å; T245-Q249 VanDerWaalsContact O-CG 3.3Å; T245-Q249 WeakPolarHBondContact O-CG 3.3Å; T245-Q249 PolarHBondContact O-N 2.76Å; T245-L280 HydrophobicContact CG2-CD1 4.29Å; T245-L280 HydrophobicContact CG2-CD2 4.41Å
246Q98Very high96.6Very high40 Ų4036.2 Ų36.219%0.18719%0.192CC..Hα-helixtrans-66.6-39.3178.2-65.2-64.5-15.100112.3Y134 I147 G242 H243 A244 T250Y134-Q246 HydrophobicContact CD1-CB 4.11Å; Y134-Q246 HydrophobicContact CD1-CG 4.01Å; Y134-Q246 HydrophobicContact CD2-CG 4Å; Y134-Q246 HydrophobicContact CE1-CB 3.77Å; Y134-Q246 HydrophobicContact CE1-CG 3.89Å; Y134-Q246 HydrophobicContact CE2-CG 3.94Å; Y134-Q246 HydrophobicContact CG-CG 4.07Å; I147-Q246 HydrophobicContact CD1-CB 3.95Å; G242-Q246 PolarHBondContact O-N 2.83Å; G242-Q246 VanDerWaalsContact O-N 3.07Å; H243-Q246 WeakPolarHBondContact O-CB 3.32Å; H243-Q246 PolarHBondContact O-N 3.24Å; A244-Q246 VanDerWaalsContact C-N 3.34Å; Q246-T250 WeakPolarHBondContact O-CB 3.17Å; Q246-T250 PolarHBondContact O-N 2.86Å; Q246-T250 PolarHBondContact O-OG1 3.07Å
247L98.1Very high96.6Very high0 Ų039.5 Ų39.50%021%0.213CC..Hα-helixtrans-58.5-53.1171.8-78173.8000111.1I147 I193 M213 I234 H243 A244 Q249 T250 F251I147-L247 HydrophobicContact CD1-CD2 4.29Å; I147-L247 HydrophobicContact CG1-CD2 4.34Å; I147-L247 HydrophobicContact CG2-CD2 4.06Å; I193-L247 HydrophobicContact CB-CD2 4.12Å; I193-L247 HydrophobicContact CD1-CG 4.44Å; I193-L247 HydrophobicContact CG2-CD1 4.12Å; I193-L247 HydrophobicContact CG2-CD2 4.31Å; I193-L247 HydrophobicContact CG2-CG 4.38Å; M213-L247 HydrophobicContact CB-CD1 4.19Å; M213-L247 HydrophobicContact CE-CB 4.35Å; I234-L247 HydrophobicContact CD1-CD1 3.76Å; H243-L247 PolarHBondContact O-N 2.91Å; A244-L247 PolarHBondContact O-N 3.35Å; L247-Q249 PolarHBondContact O-N 3.49Å; L247-T250 PolarHBondContact O-N 2.87Å; L247-T250 VanDerWaalsContact O-N 3.16Å; L247-F251 PolarHBondContact O-N 3Å
248L98Very high96.7Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-63.1-40.5-178.7-173.159.8000112V229 A244 T245 F251 Y252 F273 R277 L280V229-L248 HydrophobicContact CG2-CD1 4.49Å; A244-L248 WeakPolarHBondContact O-CB 3.29Å; A244-L248 PolarHBondContact O-N 3.33Å; T245-L248 PolarHBondContact O-N 2.99Å; L248-F251 HydrophobicContact CD1-CD1 4.02Å; L248-F251 PolarHBondContact O-N 3.02Å; L248-Y252 HydrophobicContact CD1-CD1 4.25Å; L248-Y252 HydrophobicContact CD1-CE1 3.6Å; L248-Y252 HydrophobicContact CD1-CE2 4.35Å; L248-Y252 HydrophobicContact CD2-CE2 4.31Å; L248-Y252 HydrophobicContact CG-CD2 4.43Å; L248-Y252 HydrophobicContact CG-CE1 4.07Å; L248-Y252 HydrophobicContact CG-CE2 3.9Å; L248-Y252 VanDerWaalsContact O-CG 3.23Å; L248-Y252 PolarHBondContact O-N 3.26Å; L248-F273 HydrophobicContact CD1-CZ 4.21Å; L248-F273 HydrophobicContact CD2-CZ 4.18Å; L248-R277 HydrophobicContact CD2-CB 4.25Å; L248-R277 HydrophobicContact CD2-CG 4.32Å; L248-L280 HydrophobicContact CB-CD2 4.06Å; L248-L280 HydrophobicContact CD2-CD2 3.76Å; L248-L280 HydrophobicContact CG-CD2 3.77Å
249Q97.8Very high96.7Very high58 Ų5845.3 Ų45.327%0.27125%0.25SC..Hα-helixtrans-62.3-41.9173.5-79.9-175.7-38.700112.5T245 L247 Y252 R253 L280T245-Q249 HydrophobicContact CG2-CG 4.41Å; T245-Q249 WeakPolarHBondContact O-CB 3.49Å; T245-Q249 VanDerWaalsContact O-CG 3.3Å; T245-Q249 WeakPolarHBondContact O-CG 3.3Å; T245-Q249 PolarHBondContact O-N 2.76Å; L247-Q249 PolarHBondContact O-N 3.49Å; Q249-Y252 PolarHBondContact O-N 2.86Å; Q249-R253 WeakPolarHBondContact O-CG 3.21Å; Q249-R253 PolarHBondContact O-N 2.92Å; Q249-L280 HydrophobicContact CG-CD1 3.56Å; Q249-L280 HydrophobicContact CG-CD2 3.66Å; Q249-L280 HydrophobicContact CG-CG 4.26Å
250T98.3Very high96.8Very high1 Ų144.8 Ų44.81%0.00625%0.252CS..Hα-helixtrans-64.2-46.1178.6-58.10000110.4R131 I147 Y191 Q246 L247 Y252 R253 D254R131-T250 HydrophobicContact CB-CG2 4.04Å; R131-T250 HydrophobicContact CG-CG2 3.62Å; I147-T250 VanDerWaalsContact CD1-OG1 3.27Å; I147-T250 WeakPolarHBondContact CD1-OG1 3.29Å; I147-T250 HydrophobicContact CG2-CG2 4.02Å; Y191-T250 HydrophobicContact CD1-CG2 4.26Å; Y191-T250 HydrophobicContact CE1-CG2 4.07Å; Q246-T250 WeakPolarHBondContact O-CB 3.17Å; Q246-T250 PolarHBondContact O-N 2.86Å; Q246-T250 PolarHBondContact O-OG1 3.07Å; L247-T250 PolarHBondContact O-N 2.87Å; L247-T250 VanDerWaalsContact O-N 3.16Å; T250-Y252 VanDerWaalsContact C-N 3.34Å; T250-Y252 PolarHBondContact O-N 2.89Å; T250-R253 WeakPolarHBondContact O-CB 3.34Å; T250-R253 PolarHBondContact O-N 3.39Å; T250-R253 VanDerWaalsContact O-N 3.12Å; T250-D254 PolarHBondContact O-N 2.97Å
251F98.1Very high97.1Very high0 Ų036.7 Ų36.70%021%0.209CC..Hα-helixtrans-59.6-41.1173.4163.3-113.6000113.2Y191 M213 V215 P227 V229 L247 L248 R253 D254 F255 I264Y191-F251 HydrophobicContact CE2-CB 4.11Å; Y191-F251 AromaticContact CE2-CD2 3.97Å; Y191-F251 HydrophobicContact CE2-CD2 3.97Å; Y191-F251 HydrophobicContact CE2-CG 4.47Å; M213-F251 HydrophobicContact CE-CB 3.4Å; M213-F251 VanDerWaalsContact CE-CB 3.4Å; M213-F251 HydrophobicContact CE-CD1 4.45Å; M213-F251 HydrophobicContact CE-CG 3.95Å; V215-F251 HydrophobicContact CB-CE2 4.37Å; V215-F251 HydrophobicContact CG1-CD2 4.42Å; V215-F251 HydrophobicContact CG1-CE2 3.64Å; V215-F251 HydrophobicContact CG1-CZ 4.1Å; V215-F251 HydrophobicContact CG2-CD2 3.9Å; V215-F251 HydrophobicContact CG2-CE2 3.85Å; V215-F251 HydrophobicContact CG2-CZ 4.37Å; P227-F251 HydrophobicContact CB-CE2 3.9Å; P227-F251 HydrophobicContact CB-CZ 3.81Å; V229-F251 HydrophobicContact CG2-CD1 3.98Å; V229-F251 HydrophobicContact CG2-CE1 3.5Å; V229-F251 VanDerWaalsContact CG2-CE1 3.5Å; V229-F251 HydrophobicContact CG2-CZ 4.03Å; L247-F251 PolarHBondContact O-N 3Å; L248-F251 HydrophobicContact CD1-CD1 4.02Å; L248-F251 PolarHBondContact O-N 3.02Å; F251-R253 VanDerWaalsContact C-N 3.34Å; F251-R253 PolarHBondContact O-N 2.88Å; F251-D254 PolarHBondContact O-N 3.24Å; F251-D254 VanDerWaalsContact O-N 3.13Å; F251-F255 AromaticContact CD2-CD2 3.22Å; F251-F255 HydrophobicContact CD2-CD2 3.22Å; F251-F255 AromaticContact CD2-CE2 3.53Å; F251-F255 HydrophobicContact CD2-CE2 3.53Å; F251-F255 HydrophobicContact CD2-CG 4.19Å; F251-F255 HydrophobicContact CE2-CB 4.24Å; F251-F255 AromaticContact CE2-CD2 3.16Å; F251-F255 HydrophobicContact CE2-CD2 3.16Å; F251-F255 AromaticContact CE2-CE2 3.49Å; F251-F255 HydrophobicContact CE2-CE2 3.49Å; F251-F255 VanDerWaalsContact CE2-CE2 3.49Å; F251-F255 AromaticContact CE2-CG 3.75Å; F251-F255 HydrophobicContact CE2-CG 3.75Å; F251-F255 HydrophobicContact CE2-CZ 4.3Å; F251-F255 HydrophobicContact CG-CD2 4.37Å; F251-F255 HydrophobicContact CZ-CD2 4.32Å; F251-F255 PolarHBondContact O-N 2.89Å; F251-I264 HydrophobicContact CE1-CD1 4.15Å; F251-I264 HydrophobicContact CE1-CG1 4.49Å; F251-I264 HydrophobicContact CE1-CG2 3.41Å; F251-I264 VanDerWaalsContact CE1-CG2 3.41Å; F251-I264 HydrophobicContact CZ-CD1 4.26Å; F251-I264 HydrophobicContact CZ-CG1 4.33Å; F251-I264 HydrophobicContact CZ-CG2 3.71Å
252Y98Very high97.3Very high10 Ų1036.9 Ų36.94%0.03921%0.21CC..Hα-helixtrans-61.5-39.8173.7-70.5-12.7000112.5L248 Q249 T250 D254 V256 I264 L280 D281 R284L248-Y252 HydrophobicContact CD1-CD1 4.25Å; L248-Y252 HydrophobicContact CD1-CE1 3.6Å; L248-Y252 HydrophobicContact CD1-CE2 4.35Å; L248-Y252 HydrophobicContact CD2-CE2 4.31Å; L248-Y252 HydrophobicContact CG-CD2 4.43Å; L248-Y252 HydrophobicContact CG-CE1 4.07Å; L248-Y252 HydrophobicContact CG-CE2 3.9Å; L248-Y252 VanDerWaalsContact O-CG 3.23Å; L248-Y252 PolarHBondContact O-N 3.26Å; Q249-Y252 PolarHBondContact O-N 2.86Å; T250-Y252 VanDerWaalsContact C-N 3.34Å; T250-Y252 PolarHBondContact O-N 2.89Å; Y252-D254 PolarHBondContact O-N 3.48Å; Y252-V256 WeakPolarHBondContact O-CB 2.96Å; Y252-V256 WeakPolarHBondContact O-CG2 3.27Å; Y252-V256 PolarHBondContact O-N 2.94Å; Y252-I264 HydrophobicContact CD1-CD1 3.79Å; Y252-I264 HydrophobicContact CE1-CD1 4.07Å; Y252-I264 HydrophobicContact CE1-CG2 4.13Å; Y252-L280 HydrophobicContact CD2-CD2 3.91Å; Y252-L280 HydrophobicContact CD2-CG 4.47Å; Y252-L280 HydrophobicContact CE2-CD2 3.61Å; Y252-L280 HydrophobicContact CE2-CG 4.08Å; Y252-D281 WeakPolarHBondContact CE2-OD1 3.28Å; Y252-D281 PolarHBondContact OH-OD1 3Å; Y252-D281 PolarHBondContact OH-OD2 3.42Å; Y252-R284 VanDerWaalsContact CD2-NH1 3.33Å
253R97.4Very high97.4Very high118 Ų11836 Ų3645%0.44520%0.197SC..Hα-helixtrans-62.2-28.2176-68.5172.6-157.8-176.29.8112.4Y132 Q249 T250 F251 P257Y132-R253 VanDerWaalsContact CZ-NH1 3.31Å; Y132-R253 PolarHBondContact OH-NH2 3.27Å; Q249-R253 WeakPolarHBondContact O-CG 3.21Å; Q249-R253 PolarHBondContact O-N 2.92Å; T250-R253 WeakPolarHBondContact O-CB 3.34Å; T250-R253 PolarHBondContact O-N 3.39Å; T250-R253 VanDerWaalsContact O-N 3.12Å; F251-R253 VanDerWaalsContact C-N 3.34Å; F251-R253 PolarHBondContact O-N 2.88Å; R253-P257 VanDerWaalsContact O-CD 3.24Å; R253-P257 WeakPolarHBondContact O-CD 3.23Å; R253-P257 WeakPolarHBondContact O-CG 3.5Å
254D97.2Very high97.4Very high15 Ų1535.9 Ų35.98%0.0820%0.196CC..Hα-helixtrans-81.6-47.2-178.6-65.8-9.7000112.4R131 Y191 T250 F251 Y252R131-D254 IonicContact CZ-OD1 2.63Å; R131-D254 IonicContact CZ-OD2 3.09Å; R131-D254 IonicContact NE-OD1 3.39Å; R131-D254 PolarHBondContact NE-OD1 2.97Å; R131-D254 IonicContact NE-OD2 2.73Å; R131-D254 PolarHBondContact NE-OD2 3.3Å; R131-D254 IonicContact NH2-OD1 2.94Å; R131-D254 PolarHBondContact NH2-OD1 2.87Å; R131-D254 IonicContact NH2-OD2 3.85Å; Y191-D254 VanDerWaalsContact CE1-OD2 3.23Å; Y191-D254 WeakPolarHBondContact CE1-OD2 3.47Å; Y191-D254 WeakPolarHBondContact OH-CB 3.44Å; Y191-D254 PolarHBondContact OH-OD2 3.27Å; T250-D254 PolarHBondContact O-N 2.97Å; F251-D254 PolarHBondContact O-N 3.24Å; F251-D254 VanDerWaalsContact O-N 3.13Å; Y252-D254 PolarHBondContact O-N 3.48Å
255F97.3Very high97.3Very high4 Ų435.8 Ų35.82%0.01820%0.196CC..Hα-helixtrans-98.8-23.8-169.8-74.7-89.3000114.7Y191 K217 P227 F251 M258 V261 I264Y191-F255 WeakPolarHBondContact OH-CE2 3.34Å; K217-F255 HydrophobicContact CG-CE1 4.19Å; K217-F255 HydrophobicContact CG-CZ 4.35Å; P227-F255 HydrophobicContact CB-CD1 3.93Å; P227-F255 HydrophobicContact CB-CE1 4.06Å; P227-F255 HydrophobicContact CB-CG 4.29Å; P227-F255 HydrophobicContact CG-CB 4.29Å; P227-F255 HydrophobicContact CG-CD1 3.23Å; P227-F255 HydrophobicContact CG-CE1 3.61Å; P227-F255 HydrophobicContact CG-CG 3.89Å; F251-F255 AromaticContact CD2-CD2 3.22Å; F251-F255 HydrophobicContact CD2-CD2 3.22Å; F251-F255 AromaticContact CD2-CE2 3.53Å; F251-F255 HydrophobicContact CD2-CE2 3.53Å; F251-F255 HydrophobicContact CD2-CG 4.19Å; F251-F255 HydrophobicContact CE2-CB 4.24Å; F251-F255 AromaticContact CE2-CD2 3.16Å; F251-F255 HydrophobicContact CE2-CD2 3.16Å; F251-F255 AromaticContact CE2-CE2 3.49Å; F251-F255 HydrophobicContact CE2-CE2 3.49Å; F251-F255 VanDerWaalsContact CE2-CE2 3.49Å; F251-F255 AromaticContact CE2-CG 3.75Å; F251-F255 HydrophobicContact CE2-CG 3.75Å; F251-F255 HydrophobicContact CE2-CZ 4.3Å; F251-F255 HydrophobicContact CG-CD2 4.37Å; F251-F255 HydrophobicContact CZ-CD2 4.32Å; F251-F255 PolarHBondContact O-N 2.89Å; F255-M258 HydrophobicContact CD1-SD 3.85Å; F255-M258 HydrophobicContact CE1-SD 4.31Å; F255-M258 HydrophobicContact CG-SD 4.48Å; F255-M258 WeakPolarHBondContact O-CB 3.44Å; F255-M258 PolarHBondContact O-N 3.33Å; F255-V261 HydrophobicContact CB-CG2 4.39Å; F255-V261 HydrophobicContact CD1-CG2 3.98Å; F255-I264 HydrophobicContact CB-CD1 4.3Å
256V97.5Very high97.3Very high26 Ų2634.8 Ų34.816%0.15819%0.189CC..THydrogen-bonded Turntrans-64.7-41.7179.1173.40000112.6Y252 M258 I264 K324Y252-V256 WeakPolarHBondContact O-CB 2.96Å; Y252-V256 WeakPolarHBondContact O-CG2 3.27Å; Y252-V256 PolarHBondContact O-N 2.94Å; V256-M258 PolarHBondContact O-N 3.49Å; V256-I264 HydrophobicContact CG2-CD1 4.01Å; V256-K324 HydrophobicContact CB-CG 4.24Å; V256-K324 HydrophobicContact CG1-CG 4.18Å; V256-K324 HydrophobicContact CG2-CB 4.38Å; V256-K324 HydrophobicContact CG2-CG 4.13Å; V256-K324 WeakPolarHBondContact O-CE 3.2Å
257P97.1Very high97.1Very high102 Ų10236 Ų3666%0.66220%0.195SC*.THydrogen-bonded Turntrans-67.9-16.7177.5-22.635.9000114.4R253 S259R253-P257 VanDerWaalsContact O-CD 3.24Å; R253-P257 WeakPolarHBondContact O-CD 3.23Å; R253-P257 WeakPolarHBondContact O-CG 3.5Å; P257-S259 PolarHBondContact O-N 3.15Å
258M96.8Very high96.8Very high76 Ų7643.3 Ų43.337%0.37423%0.234SC..  trans-71.4124.7-177.6-65.9-176.6173.600111.3F255 V256 N260 V261 K324F255-M258 HydrophobicContact CD1-SD 3.85Å; F255-M258 HydrophobicContact CE1-SD 4.31Å; F255-M258 HydrophobicContact CG-SD 4.48Å; F255-M258 WeakPolarHBondContact O-CB 3.44Å; F255-M258 PolarHBondContact O-N 3.33Å; V256-M258 PolarHBondContact O-N 3.49Å; M258-N260 VanDerWaalsContact C-N 3.33Å; M258-N260 PolarHBondContact O-N 3.35Å; M258-V261 HydrophobicContact CB-CB 4.23Å; M258-V261 HydrophobicContact CB-CG2 3.64Å; M258-V261 HydrophobicContact CG-CG2 4.49Å; M258-V261 PolarHBondContact O-N 2.92Å; M258-V261 HydrophobicContact SD-CG2 4.22Å; M258-K324 PolarHBondContact O-NZ 3.11Å
259S95.4Very high96.5Very high118 Ų11845.5 Ų45.583%0.82525%0.248SC*.THydrogen-bonded Turntrans-70.1-29.7-17758.50000113.2P257 V261P257-S259 PolarHBondContact O-N 3.15Å; S259-V261 VanDerWaalsContact C-N 3.33Å
260N96.5Very high96.3Very high60 Ų6045.7 Ų45.732%0.32126%0.256SS..THydrogen-bonded Turntrans-83-3.117767.8-27.4000113.5N224 L225 M258N224-N260 CarbonylContact C-O 3.55Å; N224-N260 WeakPolarHBondContact CA-O 3.44Å; N224-N260 VanDerWaalsContact CB-O 3.22Å; N224-N260 WeakPolarHBondContact CB-O 3.32Å; L225-N260 PolarHBondContact N-O 3.19Å; M258-N260 VanDerWaalsContact C-N 3.33Å; M258-N260 PolarHBondContact O-N 3.35Å
261V97.7Very high96.1Very high2 Ų250.1 Ų50.11%0.01229%0.285CS..BIsolated β-bridgetrans-84.6120.1172.6172.70000109.5L225 P227 F255 M258 S259 I264 K324L225-V261 HydrophobicContact CB-CG2 4.26Å; L225-V261 WeakPolarHBondContact O-CA 3.41Å; P227-V261 HydrophobicContact CG-CG1 4.16Å; P227-V261 HydrophobicContact CG-CG2 4.06Å; F255-V261 HydrophobicContact CB-CG2 4.39Å; F255-V261 HydrophobicContact CD1-CG2 3.98Å; M258-V261 HydrophobicContact CB-CB 4.23Å; M258-V261 HydrophobicContact CB-CG2 3.64Å; M258-V261 HydrophobicContact CG-CG2 4.49Å; M258-V261 PolarHBondContact O-N 2.92Å; M258-V261 HydrophobicContact SD-CG2 4.22Å; S259-V261 VanDerWaalsContact C-N 3.33Å; V261-I264 HydrophobicContact CG1-CG1 4.36Å; V261-K324 HydrophobicContact CG1-CB 4.48Å; V261-K324 HydrophobicContact CG1-CD 4.34Å; V261-K324 HydrophobicContact CG1-CG 4.19Å; V261-K324 WeakPolarHBondContact O-CD 3.43Å; V261-K324 WeakPolarHBondContact O-CE 3.37Å; V261-K324 PolarHBondContact O-NZ 2.55Å
262I96.4Very high95.9Very high50 Ų5054.7 Ų54.726%0.25631%0.31SS..  trans-85.3-41.5-177.951.1160.8000113.1A220 N224 L225 R226 R320A220-I262 HydrophobicContact CB-CD1 3.53Å; A220-I262 HydrophobicContact CB-CG1 4.01Å; N224-I262 HydrophobicContact CB-CG2 3.65Å; L225-I262 WeakPolarHBondContact O-CG1 3.49Å; L225-I262 PolarHBondContact O-N 3.36Å; R226-I262 HydrophobicContact CB-CD1 4.49Å; R226-I262 HydrophobicContact CB-CG1 4.34Å; R226-I262 VanDerWaalsContact NH2-CD1 3.28Å; I262-R320 WeakPolarHBondContact O-CG 3.45Å
263D97.2Very high95.8Very high13 Ų1355 Ų557%0.0731%0.311CS..  trans-165.4168176.158.954.2000109.3R226 R320 K324 N326R226-D263 WeakPolarHBondContact CD-OD1 3.43Å; R226-D263 WeakPolarHBondContact CG-OD1 3.45Å; R226-D263 IonicContact CZ-OD1 2.63Å; R226-D263 IonicContact CZ-OD2 2.64Å; R226-D263 IonicContact NE-OD1 3.49Å; R226-D263 PolarHBondContact NE-OD1 3.01Å; R226-D263 IonicContact NE-OD2 2.92Å; R226-D263 PolarHBondContact NE-OD2 3.35Å; R226-D263 IonicContact NH2-OD1 3.51Å; R226-D263 IonicContact NH2-OD2 3.57Å; R226-D263 PolarHBondContact NH2-OD2 3.39Å; D263-R320 HydrophobicContact CB-CG 4.48Å; D263-K324 CarbonylContact C-O 3.54Å; D263-K324 WeakPolarHBondContact CA-O 3.48Å; D263-N326 HydrophobicContact CB-CB 4.05Å
264I97.1Very high95.7Very high3 Ų350.8 Ų50.82%0.01530%0.296CS..BIsolated β-bridgetrans-112.6127.1179.3-68.1173.7000109.5F251 Y252 F255 V256 V261 R277 K324 N326F251-I264 HydrophobicContact CE1-CD1 4.15Å; F251-I264 HydrophobicContact CE1-CG1 4.49Å; F251-I264 HydrophobicContact CE1-CG2 3.41Å; F251-I264 VanDerWaalsContact CE1-CG2 3.41Å; F251-I264 HydrophobicContact CZ-CD1 4.26Å; F251-I264 HydrophobicContact CZ-CG1 4.33Å; F251-I264 HydrophobicContact CZ-CG2 3.71Å; Y252-I264 HydrophobicContact CD1-CD1 3.79Å; Y252-I264 HydrophobicContact CE1-CD1 4.07Å; Y252-I264 HydrophobicContact CE1-CG2 4.13Å; F255-I264 HydrophobicContact CB-CD1 4.3Å; V256-I264 HydrophobicContact CG2-CD1 4.01Å; V261-I264 HydrophobicContact CG1-CG1 4.36Å; I264-R277 PolarHBondContact O-NH2 3.05Å; I264-K324 HydrophobicContact CD1-CB 4.06Å; I264-K324 HydrophobicContact CG1-CB 4Å; I264-K324 PolarHBondContact N-O 2.84Å; I264-N326 WeakPolarHBondContact O-CB 3.47Å; I264-N326 PolarHBondContact O-ND2 2.87Å
265A96.4Very high95.7Very high14 Ų1454 Ų5412%0.11631%0.308CS..EExtended strand (participates in β ladder)trans-106.1165.617800000112R226 P227 R228 V229R226-A265 HydrophobicContact CG-CB 4.26Å; P227-A265 PolarHBondContact O-N 2.89Å; R228-A265 WeakPolarHBondContact CA-O 3.44Å; R228-A265 HydrophobicContact CB-CB 4Å; R228-A265 HydrophobicContact CG-CB 3.83Å; V229-A265 PolarHBondContact N-O 3.48Å
266V96.5Very high95.7Very high20 Ų2056.3 Ų56.312%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-135.4135.5168.9-179.60000106.1V229 P269 F273 R277V229-V266 HydrophobicContact CB-CG1 4.33Å; V229-V266 HydrophobicContact CB-CG2 4.09Å; V229-V266 HydrophobicContact CG2-CG2 4.37Å; V229-V266 CarbonylContact O-C 3.59Å; V229-V266 WeakPolarHBondContact O-CA 3.49Å; V266-P269 HydrophobicContact CB-CB 4.49Å; V266-P269 HydrophobicContact CG1-CB 3.8Å; V266-P269 HydrophobicContact CG1-CG 4.37Å; V266-F273 HydrophobicContact CB-CE1 4.43Å; V266-F273 HydrophobicContact CG1-CD1 3.89Å; V266-F273 HydrophobicContact CG1-CE1 3.69Å; V266-F273 HydrophobicContact CG2-CE1 3.85Å; V266-R277 VanDerWaalsContact CG2-CZ 3.49Å
267E94.4Very high95.7Very high65 Ų6555.4 Ų55.430%0.30431%0.313SS..SBendtrans-76.2122.3173-171.2158.5-160.600109.2R228 V229 S230R228-E267 HydrophobicContact CG-CB 4.24Å; R228-E267 IonicContact CZ-OE1 3.35Å; R228-E267 IonicContact CZ-OE2 3.98Å; R228-E267 IonicContact NE-OE2 2.55Å; R228-E267 PolarHBondContact NE-OE2 3.2Å; R228-E267 IonicContact NH2-OE1 3.2Å; R228-E267 PolarHBondContact NH2-OE1 2.76Å; R228-E267 IonicContact NH2-OE2 2.89Å; R228-E267 PolarHBondContact NH2-OE2 3.46Å; V229-E267 PolarHBondContact O-N 3.49Å; S230-E267 VanDerWaalsContact CB-OE2 3.3Å; S230-E267 WeakPolarHBondContact CB-OE2 3.48Å; S230-E267 PolarHBondContact OG-OE2 3.06Å
268D90.8Very high95.7Very high154 Ų15450.6 Ų50.682%0.82428%0.282SS*.SBendtrans29.563.6172.9-58.1-24.3000114.7S270D268-S270 PolarHBondContact O-N 2.93Å
269P93.5Very high95.8Very high46 Ų4648.5 Ų48.530%0.29927%0.272SS..  trans-62.5128-171.124.5-33.8000111.2V266 F273 Q274V266-P269 HydrophobicContact CB-CB 4.49Å; V266-P269 HydrophobicContact CG1-CB 3.8Å; V266-P269 HydrophobicContact CG1-CG 4.37Å; P269-F273 HydrophobicContact CB-CD1 4.12Å; P269-Q274 HydrophobicContact CB-CB 4.42Å
270S93.3Very high95.9Very high63 Ų6343.1 Ų43.144%0.44123%0.234SC..  trans-57.5154.8170.1750000111.1D268 D272 F273 Q274D268-S270 PolarHBondContact O-N 2.93Å; S270-D272 PolarHBondContact O-N 3.49Å; S270-D272 VanDerWaalsContact O-N 3.15Å; S270-F273 PolarHBondContact O-N 3.46Å; S270-F273 PolarHBondContact OG-N 2.99Å; S270-Q274 WeakPolarHBondContact O-CB 3.44Å; S270-Q274 PolarHBondContact O-N 3.37Å
271P93.3Very high95.9Very high93 Ų9340.2 Ų40.260%0.60422%0.219SC*.Hα-helixtrans-52.9-38.2177.5-28.735.9000113.2R275P271-R275 WeakPolarHBondContact O-CG 3.41Å; P271-R275 PolarHBondContact O-N 3.41Å
272D93.4Very high96Very high97 Ų9740.1 Ų40.152%0.51922%0.218SC..Hα-helixtrans-65-47.3175.9-82.2-40.6000113.1S270 Q274 R275 I276S270-D272 PolarHBondContact O-N 3.49Å; S270-D272 VanDerWaalsContact O-N 3.15Å; D272-Q274 VanDerWaalsContact C-N 3.33Å; D272-Q274 PolarHBondContact O-N 3.36Å; D272-R275 PolarHBondContact O-N 2.91Å; D272-R275 IonicContact OD1-CZ 2.81Å; D272-R275 IonicContact OD1-NE 3.57Å; D272-R275 IonicContact OD1-NH2 3.32Å; D272-R275 PolarHBondContact OD1-NH2 3.07Å; D272-I276 WeakPolarHBondContact O-CG1 3.26Å; D272-I276 PolarHBondContact O-N 3.26Å; D272-I276 VanDerWaalsContact O-N 3.14Å
273F95.9Very high96Very high17 Ų1740.6 Ų40.68%0.07522%0.218CC..Hα-helixtrans-66.6-38178.7-168.2-100.4000111.5V229 V232 L248 V266 P269 S270 R275 I276 R277V229-F273 HydrophobicContact CG1-CZ 4.25Å; V232-F273 HydrophobicContact CB-CD2 4.2Å; V232-F273 HydrophobicContact CB-CE2 4.03Å; V232-F273 HydrophobicContact CG1-CD2 4.19Å; V232-F273 HydrophobicContact CG1-CE2 3.9Å; V232-F273 HydrophobicContact CG2-CD2 4.16Å; V232-F273 HydrophobicContact CG2-CE2 3.61Å; V232-F273 HydrophobicContact CG2-CZ 3.87Å; L248-F273 HydrophobicContact CD1-CZ 4.21Å; L248-F273 HydrophobicContact CD2-CZ 4.18Å; V266-F273 HydrophobicContact CB-CE1 4.43Å; V266-F273 HydrophobicContact CG1-CD1 3.89Å; V266-F273 HydrophobicContact CG1-CE1 3.69Å; V266-F273 HydrophobicContact CG2-CE1 3.85Å; P269-F273 HydrophobicContact CB-CD1 4.12Å; S270-F273 PolarHBondContact O-N 3.46Å; S270-F273 PolarHBondContact OG-N 2.99Å; F273-R275 VanDerWaalsContact C-N 3.33Å; F273-R275 PolarHBondContact O-N 2.76Å; F273-I276 PolarHBondContact O-N 3.03Å; F273-R277 WeakPolarHBondContact O-CB 3.38Å; F273-R277 PolarHBondContact O-N 3.08Å
274Q96.8Very high96Very high28 Ų2841.4 Ų41.413%0.13122%0.22CC..Hα-helixtrans-60.9-40.4174.9-172.261.462.400111.7P269 S270 D272 R277 D278P269-Q274 HydrophobicContact CB-CB 4.42Å; S270-Q274 WeakPolarHBondContact O-CB 3.44Å; S270-Q274 PolarHBondContact O-N 3.37Å; D272-Q274 VanDerWaalsContact C-N 3.33Å; D272-Q274 PolarHBondContact O-N 3.36Å; Q274-R277 PolarHBondContact O-N 3.26Å; Q274-D278 PolarHBondContact NE2-OD1 3.43Å; Q274-D278 VanDerWaalsContact O-CB 3.29Å; Q274-D278 WeakPolarHBondContact O-CB 3.49Å; Q274-D278 PolarHBondContact O-N 2.87Å
275R96.2Very high96Very high84 Ų8441.3 Ų41.332%0.31722%0.22SC..Hα-helixtrans-62.6-41.6174.2-75.4-171.5-74.6-126.17.7112.7P271 D272 F273 L279 N415P271-R275 WeakPolarHBondContact O-CG 3.41Å; P271-R275 PolarHBondContact O-N 3.41Å; D272-R275 PolarHBondContact O-N 2.91Å; D272-R275 IonicContact OD1-CZ 2.81Å; D272-R275 IonicContact OD1-NE 3.57Å; D272-R275 IonicContact OD1-NH2 3.32Å; D272-R275 PolarHBondContact OD1-NH2 3.07Å; F273-R275 VanDerWaalsContact C-N 3.33Å; F273-R275 PolarHBondContact O-N 2.76Å; R275-L279 WeakPolarHBondContact O-CB 3.47Å; R275-L279 PolarHBondContact O-N 3.23Å; R275-L279 VanDerWaalsContact O-N 3.14Å; R275-N415 PolarHBondContact NH1-OD1 3.46Å
276I96.8Very high95.9Very high51 Ų5142.6 Ų42.626%0.26222%0.224SC..Hα-helixtrans-62.5-48.4176.2-67.2165.6000109.9A244 D272 F273 L279 L280A244-I276 HydrophobicContact CB-CD1 3.88Å; D272-I276 WeakPolarHBondContact O-CG1 3.26Å; D272-I276 PolarHBondContact O-N 3.26Å; D272-I276 VanDerWaalsContact O-N 3.14Å; F273-I276 PolarHBondContact O-N 3.03Å; I276-L279 PolarHBondContact O-N 2.9Å; I276-L280 WeakPolarHBondContact O-CB 3.35Å; I276-L280 PolarHBondContact O-N 2.62Å
277R97.7Very high95.8Very high7 Ų747.1 Ų47.13%0.02624%0.244CC..Hα-helixtrans-62.1-47-179.9-171.2-173.9-176.7177.55.4112.1L248 I264 V266 F273 Q274 L279 L280 D281L248-R277 HydrophobicContact CD2-CB 4.25Å; L248-R277 HydrophobicContact CD2-CG 4.32Å; I264-R277 PolarHBondContact O-NH2 3.05Å; V266-R277 VanDerWaalsContact CG2-CZ 3.49Å; F273-R277 WeakPolarHBondContact O-CB 3.38Å; F273-R277 PolarHBondContact O-N 3.08Å; Q274-R277 PolarHBondContact O-N 3.26Å; R277-L279 PolarHBondContact O-N 3.27Å; R277-L280 PolarHBondContact O-N 3.34Å; R277-D281 WeakPolarHBondContact CG-OD2 3.42Å; R277-D281 IonicContact NE-OD2 3.58Å; R277-D281 WeakPolarHBondContact O-CB 3.44Å; R277-D281 PolarHBondContact O-N 3.03Å
278D98Very high95.8Very high1 Ų145.1 Ų45.11%0.00524%0.237CC..Hα-helixtrans-57.9-50.5178.6-77.8-12.4000111.2Q274 L280 C282 Q329 R332 I336Q274-D278 PolarHBondContact NE2-OD1 3.43Å; Q274-D278 VanDerWaalsContact O-CB 3.29Å; Q274-D278 WeakPolarHBondContact O-CB 3.49Å; Q274-D278 PolarHBondContact O-N 2.87Å; D278-L280 PolarHBondContact O-N 2.98Å; D278-C282 WeakPolarHBondContact O-CB 3.18Å; D278-C282 PolarHBondContact O-N 2.82Å; D278-C282 PolarHBondContact O-SG 3.26Å; D278-Q329 PolarHBondContact OD1-NE2 3.2Å; D278-R332 IonicContact OD1-NE 3.86Å; D278-R332 PolarHBondContact OD1-NE 2.81Å; D278-R332 IonicContact OD2-CZ 3.1Å; D278-R332 IonicContact OD2-NE 3.1Å; D278-R332 PolarHBondContact OD2-NE 2.78Å; D278-R332 IonicContact OD2-NH2 3.39Å; D278-R332 PolarHBondContact OD2-NH2 2.9Å; D278-I336 HydrophobicContact CB-CD1 3.73Å
279L97.6Very high95.9Very high32 Ų3241.5 Ų41.517%0.16822%0.221CC..Hα-helixtrans-61.8-45.7178.4179.662000111.8R275 I276 R277 C282 K283 T419 K422 L423R275-L279 WeakPolarHBondContact O-CB 3.47Å; R275-L279 PolarHBondContact O-N 3.23Å; R275-L279 VanDerWaalsContact O-N 3.14Å; I276-L279 PolarHBondContact O-N 2.9Å; R277-L279 PolarHBondContact O-N 3.27Å; L279-C282 PolarHBondContact O-N 2.85Å; L279-K283 WeakPolarHBondContact O-CG 3.38Å; L279-K283 PolarHBondContact O-N 3.37Å; L279-T419 HydrophobicContact CB-CG2 4.21Å; L279-T419 HydrophobicContact CD1-CG2 4.17Å; L279-K422 HydrophobicContact CD1-CB 3.77Å; L279-K422 HydrophobicContact CD2-CB 4.14Å; L279-K422 HydrophobicContact CD2-CD 3.88Å; L279-L423 HydrophobicContact CD1-CD2 3.74Å; L279-L423 HydrophobicContact CD1-CG 4.02Å
280L97.4Very high95.9Very high5 Ų542.9 Ų42.93%0.02622%0.224CC..Hα-helixtrans-65.8-45.6-177.9179.559.9000111.8T245 L248 Q249 Y252 I276 R277 D278 C282 K283 R284T245-L280 HydrophobicContact CG2-CD1 4.29Å; T245-L280 HydrophobicContact CG2-CD2 4.41Å; L248-L280 HydrophobicContact CB-CD2 4.06Å; L248-L280 HydrophobicContact CD2-CD2 3.76Å; L248-L280 HydrophobicContact CG-CD2 3.77Å; Q249-L280 HydrophobicContact CG-CD1 3.56Å; Q249-L280 HydrophobicContact CG-CD2 3.66Å; Q249-L280 HydrophobicContact CG-CG 4.26Å; Y252-L280 HydrophobicContact CD2-CD2 3.91Å; Y252-L280 HydrophobicContact CD2-CG 4.47Å; Y252-L280 HydrophobicContact CE2-CD2 3.61Å; Y252-L280 HydrophobicContact CE2-CG 4.08Å; I276-L280 WeakPolarHBondContact O-CB 3.35Å; I276-L280 PolarHBondContact O-N 2.62Å; R277-L280 PolarHBondContact O-N 3.34Å; D278-L280 PolarHBondContact O-N 2.98Å; L280-C282 VanDerWaalsContact C-N 3.34Å; L280-C282 PolarHBondContact O-N 3.02Å; L280-K283 PolarHBondContact O-N 3.12Å; L280-R284 WeakPolarHBondContact O-CG 3.47Å; L280-R284 PolarHBondContact O-N 2.86Å
281D98.3Very high95.9Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-68.5-34179.6-70.9-23.9000111.8Y252 R277 R284 C285 L325 Q329 V333Y252-D281 WeakPolarHBondContact CE2-OD1 3.28Å; Y252-D281 PolarHBondContact OH-OD1 3Å; Y252-D281 PolarHBondContact OH-OD2 3.42Å; R277-D281 WeakPolarHBondContact CG-OD2 3.42Å; R277-D281 IonicContact NE-OD2 3.58Å; R277-D281 WeakPolarHBondContact O-CB 3.44Å; R277-D281 PolarHBondContact O-N 3.03Å; D281-R284 PolarHBondContact O-N 3.42Å; D281-R284 IonicContact OD1-CZ 3.58Å; D281-R284 IonicContact OD1-NH1 2.7Å; D281-R284 PolarHBondContact OD1-NH1 3.16Å; D281-C285 WeakPolarHBondContact O-CB 3.46Å; D281-C285 PolarHBondContact O-N 3.47Å; D281-C285 PolarHBondContact O-SG 2.92Å; D281-L325 HydrophobicContact CB-CD1 4.43Å; D281-L325 HydrophobicContact CB-CD2 4Å; D281-L325 VanDerWaalsContact CG-CD2 3.47Å; D281-L325 WeakPolarHBondContact OD2-CD2 3.32Å; D281-Q329 WeakPolarHBondContact OD2-CG 3.21Å; D281-Q329 PolarHBondContact OD2-NE2 3.35Å; D281-V333 HydrophobicContact CB-CG2 3.66Å
282C98Very high95.9Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-61.4-45.5170.6-71.30000111.9D278 L279 L280 R284 C285 L286 I336 L337 L423D278-C282 WeakPolarHBondContact O-CB 3.18Å; D278-C282 PolarHBondContact O-N 2.82Å; D278-C282 PolarHBondContact O-SG 3.26Å; L279-C282 PolarHBondContact O-N 2.85Å; L280-C282 VanDerWaalsContact C-N 3.34Å; L280-C282 PolarHBondContact O-N 3.02Å; C282-R284 PolarHBondContact O-N 3.41Å; C282-C285 WeakPolarHBondContact O-CB 3.1Å; C282-C285 PolarHBondContact O-N 3Å; C282-L286 WeakPolarHBondContact O-CG 3.01Å; C282-L286 PolarHBondContact O-N 3.13Å; C282-I336 VanDerWaalsContact SG-CG2 3.54Å; C282-L337 HydrophobicContact CB-CD2 4.07Å; C282-L423 HydrophobicContact CB-CD1 3.73Å; C282-L423 HydrophobicContact CB-CD2 3.83Å; C282-L423 HydrophobicContact CB-CG 4.36Å
283K97Very high95.8Very high60 Ų6036.3 Ų36.326%0.26118%0.175SC..Hα-helixtrans-59.1-47.1176.2-72.2-178.5177.6-172.10111.7L279 L280 C285 L286 E287 L423 F426L279-K283 WeakPolarHBondContact O-CG 3.38Å; L279-K283 PolarHBondContact O-N 3.37Å; L280-K283 PolarHBondContact O-N 3.12Å; K283-C285 VanDerWaalsContact C-N 3.27Å; K283-C285 PolarHBondContact O-N 3.41Å; K283-L286 WeakPolarHBondContact O-CB 3.36Å; K283-L286 PolarHBondContact O-N 3.06Å; K283-L286 VanDerWaalsContact O-N 3.13Å; K283-E287 WeakPolarHBondContact O-CG 3.32Å; K283-E287 PolarHBondContact O-N 2.91Å; K283-L423 HydrophobicContact CG-CD2 3.91Å; K283-F426 HydrophobicContact CB-CE1 4.04Å; K283-F426 HydrophobicContact CB-CZ 4.18Å; K283-F426 HydrophobicContact CD-CD1 4.25Å; K283-F426 HydrophobicContact CD-CD2 3.94Å; K283-F426 HydrophobicContact CD-CE1 4.3Å; K283-F426 HydrophobicContact CD-CE2 3.99Å; K283-F426 HydrophobicContact CD-CG 4.05Å; K283-F426 HydrophobicContact CD-CZ 4.16Å; K283-F426 HydrophobicContact CG-CD1 3.77Å; K283-F426 HydrophobicContact CG-CD2 4.36Å; K283-F426 HydrophobicContact CG-CE1 3.76Å; K283-F426 HydrophobicContact CG-CE2 4.36Å; K283-F426 HydrophobicContact CG-CG 4.07Å; K283-F426 HydrophobicContact CG-CZ 4.06Å
284R97Very high95.4Very high30 Ų3035.7 Ų35.711%0.11317%0.173CC..Hα-helixtrans-59.9-37.8176.8-67.9169.166.2-143.9-0.2112.3Y252 L280 D281 C282 E287 T288 L323Y252-R284 VanDerWaalsContact CD2-NH1 3.33Å; L280-R284 WeakPolarHBondContact O-CG 3.47Å; L280-R284 PolarHBondContact O-N 2.86Å; D281-R284 PolarHBondContact O-N 3.42Å; D281-R284 IonicContact OD1-CZ 3.58Å; D281-R284 IonicContact OD1-NH1 2.7Å; D281-R284 PolarHBondContact OD1-NH1 3.16Å; C282-R284 PolarHBondContact O-N 3.41Å; R284-E287 PolarHBondContact O-N 2.86Å; R284-T288 WeakPolarHBondContact O-CB 3.33Å; R284-T288 PolarHBondContact O-N 3.21Å; R284-T288 PolarHBondContact O-OG1 2.96Å; R284-L323 HydrophobicContact CB-CD1 4.17Å; R284-L323 HydrophobicContact CB-CD2 4.3Å; R284-L323 PolarHBondContact NH1-O 3.44Å; R284-L323 PolarHBondContact NH2-O 3.12Å
285C96.9Very high94.9Very high0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-66.5-45174.3-68.70000111.7D281 C282 K283 E287 T288 V291 M292 L323 V333 L337D281-C285 WeakPolarHBondContact O-CB 3.46Å; D281-C285 PolarHBondContact O-N 3.47Å; D281-C285 PolarHBondContact O-SG 2.92Å; C282-C285 WeakPolarHBondContact O-CB 3.1Å; C282-C285 PolarHBondContact O-N 3Å; K283-C285 VanDerWaalsContact C-N 3.27Å; K283-C285 PolarHBondContact O-N 3.41Å; C285-E287 PolarHBondContact O-N 3.32Å; C285-T288 CarbonylContact O-C 3.55Å; C285-T288 PolarHBondContact O-N 3.17Å; C285-T288 VanDerWaalsContact O-O 3.1Å; C285-V291 HydrophobicContact CB-CG1 3.92Å; C285-M292 HydrophobicContact CB-SD 4.36Å; C285-M292 VanDerWaalsContact O-CG 3.24Å; C285-M292 WeakPolarHBondContact O-CG 3.44Å; C285-L323 HydrophobicContact CB-CD1 4.42Å; C285-L323 VanDerWaalsContact SG-CD1 3.56Å; C285-V333 HydrophobicContact CB-CG1 4.39Å; C285-L337 HydrophobicContact CB-CD1 3.61Å
286L94.7Very high94.1Very high41 Ų4133.4 Ų33.422%0.21517%0.17CC..Hα-helixtrans-59.5-34.9176.3-71171.2000112.5C282 K283 T288 M292 L337 F340 L423 F426 V427C282-L286 WeakPolarHBondContact O-CG 3.01Å; C282-L286 PolarHBondContact O-N 3.13Å; K283-L286 WeakPolarHBondContact O-CB 3.36Å; K283-L286 PolarHBondContact O-N 3.06Å; K283-L286 VanDerWaalsContact O-N 3.13Å; L286-T288 VanDerWaalsContact C-N 3.26Å; L286-T288 PolarHBondContact O-N 3.17Å; L286-M292 HydrophobicContact CD2-CE 3.77Å; L286-M292 HydrophobicContact CD2-SD 3.91Å; L286-M292 HydrophobicContact CG-SD 4.49Å; L286-L337 HydrophobicContact CD2-CD2 4.04Å; L286-L337 HydrophobicContact CG-CD2 4.02Å; L286-F340 HydrophobicContact CD2-CD1 4.35Å; L286-F340 HydrophobicContact CD2-CE1 3.99Å; L286-L423 HydrophobicContact CD1-CD2 3.93Å; L286-F426 HydrophobicContact CD1-CD1 4.36Å; L286-F426 HydrophobicContact CD1-CE1 4.46Å; L286-V427 HydrophobicContact CD1-CG2 4.12Å
287E93.8Very high92.8Very high116 Ų11634.6 Ų34.654%0.54218%0.175SC..THydrogen-bonded Turntrans-78.2-4.9175.3-67.5168.2167.600113.5K283 R284 C285 P289 F426K283-E287 WeakPolarHBondContact O-CG 3.32Å; K283-E287 PolarHBondContact O-N 2.91Å; R284-E287 PolarHBondContact O-N 2.86Å; C285-E287 PolarHBondContact O-N 3.32Å; E287-P289 WeakPolarHBondContact O-CD 3.46Å; E287-F426 WeakPolarHBondContact OE1-CZ 3.15Å
288T95.2Very high90.9Very high23 Ų2335.1 Ų35.114%0.14118%0.179CC..  trans-115.793.4180-51.80000110.4R284 C285 L286 E290 V291 M292 K322R284-T288 WeakPolarHBondContact O-CB 3.33Å; R284-T288 PolarHBondContact O-N 3.21Å; R284-T288 PolarHBondContact O-OG1 2.96Å; C285-T288 CarbonylContact O-C 3.55Å; C285-T288 PolarHBondContact O-N 3.17Å; C285-T288 VanDerWaalsContact O-O 3.1Å; L286-T288 VanDerWaalsContact C-N 3.26Å; L286-T288 PolarHBondContact O-N 3.17Å; T288-E290 VanDerWaalsContact C-N 3.28Å; T288-E290 PolarHBondContact O-N 3.4Å; T288-E290 VanDerWaalsContact O-N 3.16Å; T288-V291 HydrophobicContact CG2-CB 4.19Å; T288-V291 HydrophobicContact CG2-CG2 3.61Å; T288-V291 WeakPolarHBondContact O-CB 3.37Å; T288-V291 PolarHBondContact O-N 2.88Å; T288-M292 PolarHBondContact O-N 2.63Å; T288-K322 HydrophobicContact CG2-CB 4.39Å
289P93.5Very high88.9Confident78 Ų7839.2 Ų39.251%0.50620%0.201SC..Hα-helixtrans-54.1-39.1-173.9-28.836.1000114.4E287 V291 M292 Q293E287-P289 WeakPolarHBondContact O-CD 3.46Å; P289-V291 PolarHBondContact O-N 2.94Å; P289-M292 PolarHBondContact O-N 2.96Å; P289-Q293 VanDerWaalsContact O-CG 3.29Å; P289-Q293 WeakPolarHBondContact O-CG 3.04Å; P289-Q293 PolarHBondContact O-N 2.67Å
290E93.3Very high86.4Confident75 Ų7539.3 Ų39.335%0.3521%0.21SC..Hα-helixtrans-64.3-31-179.6-53.799.6118.900112.3T288 I318 K322T288-E290 VanDerWaalsContact C-N 3.28Å; T288-E290 PolarHBondContact O-N 3.4Å; T288-E290 VanDerWaalsContact O-N 3.16Å; E290-I318 HydrophobicContact CB-CG2 4.29Å; E290-K322 IonicContact OE1-NZ 3.21Å; E290-K322 PolarHBondContact OE1-NZ 3.08Å
291V93.9Very high83.8Confident0 Ų045.3 Ų45.30%025%0.247CC..Hα-helixtrans-72-47.9174.2175.40000109.4C285 T288 P289 Q293 T294 F315 I318 K322 L323C285-V291 HydrophobicContact CB-CG1 3.92Å; T288-V291 HydrophobicContact CG2-CB 4.19Å; T288-V291 HydrophobicContact CG2-CG2 3.61Å; T288-V291 WeakPolarHBondContact O-CB 3.37Å; T288-V291 PolarHBondContact O-N 2.88Å; P289-V291 PolarHBondContact O-N 2.94Å; V291-Q293 VanDerWaalsContact C-N 3.33Å; V291-Q293 PolarHBondContact O-N 2.73Å; V291-T294 WeakPolarHBondContact O-CB 3.42Å; V291-T294 PolarHBondContact O-N 3.4Å; V291-T294 PolarHBondContact O-OG1 3.29Å; V291-F315 HydrophobicContact CG1-CD2 3.87Å; V291-F315 HydrophobicContact CG1-CE2 3.31Å; V291-F315 HydrophobicContact CG1-CZ 3.87Å; V291-I318 HydrophobicContact CG2-CG2 3.83Å; V291-K322 HydrophobicContact CG2-CB 4.47Å; V291-L323 HydrophobicContact CG2-CD1 4.23Å
292M93Very high81.1Confident22 Ų2252.6 Ų52.611%0.10829%0.286CS..Hα-helixtrans-65-33.8-178.8-68.6-51.8-58.900113.8C285 L286 T288 P289 T294 I295 T296 L337 L341C285-M292 HydrophobicContact CB-SD 4.36Å; C285-M292 VanDerWaalsContact O-CG 3.24Å; C285-M292 WeakPolarHBondContact O-CG 3.44Å; L286-M292 HydrophobicContact CD2-CE 3.77Å; L286-M292 HydrophobicContact CD2-SD 3.91Å; L286-M292 HydrophobicContact CG-SD 4.49Å; T288-M292 PolarHBondContact O-N 2.63Å; P289-M292 PolarHBondContact O-N 2.96Å; M292-T294 PolarHBondContact O-N 3.19Å; M292-T294 VanDerWaalsContact O-N 3.14Å; M292-I295 HydrophobicContact CE-CD1 4.37Å; M292-I295 PolarHBondContact O-N 3.35Å; M292-T296 PolarHBondContact O-N 3.34Å; M292-T296 PolarHBondContact O-OG1 3.29Å; M292-L337 HydrophobicContact SD-CD1 3.91Å; M292-L337 HydrophobicContact SD-CD2 4.5Å; M292-L341 HydrophobicContact CE-CD1 3.99Å
293Q90Very high78.4Confident92 Ų9256 Ų5643%0.4332%0.32SS..Hα-helixtrans-55.9-30.2175.4-77.7173.712.800112.6P289 V291 I295 T296 Q297P289-Q293 VanDerWaalsContact O-CG 3.29Å; P289-Q293 WeakPolarHBondContact O-CG 3.04Å; P289-Q293 PolarHBondContact O-N 2.67Å; V291-Q293 VanDerWaalsContact C-N 3.33Å; V291-Q293 PolarHBondContact O-N 2.73Å; Q293-I295 PolarHBondContact O-N 2.79Å; Q293-T296 WeakPolarHBondContact CA-OG1 3.11Å; Q293-Q297 VanDerWaalsContact O-CB 3.23Å; Q293-Q297 WeakPolarHBondContact O-CB 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 2.95Å
294T87.9Confident76Confident4 Ų461 Ų613%0.02534%0.344CS..Hα-helixtrans-67.8-25.3177.568.30000113.6V291 M292 S311 R314 F315 I318V291-T294 WeakPolarHBondContact O-CB 3.42Å; V291-T294 PolarHBondContact O-N 3.4Å; V291-T294 PolarHBondContact O-OG1 3.29Å; M292-T294 PolarHBondContact O-N 3.19Å; M292-T294 VanDerWaalsContact O-N 3.14Å; T294-S311 PolarHBondContact O-OG 3.19Å; T294-R314 HydrophobicContact CG2-CB 4.47Å; T294-R314 HydrophobicContact CG2-CG 3.87Å; T294-F315 WeakPolarHBondContact OG1-CA 3.42Å; T294-F315 WeakPolarHBondContact OG1-CB 3.46Å; T294-F315 WeakPolarHBondContact OG1-CD2 3.26Å; T294-I318 HydrophobicContact CG2-CD1 3.5Å; T294-I318 VanDerWaalsContact CG2-CD1 3.5Å; T294-I318 HydrophobicContact CG2-CG1 4.28Å
295I86.9Confident73.8Confident0 Ų067.1 Ų67.10%038%0.378CS..Hα-helixtrans-91.1-45.6177.1-51.3-179.1000109.7M292 Q293 Q297 S298 F315 Y334 L337 R338 L341M292-I295 HydrophobicContact CE-CD1 4.37Å; M292-I295 PolarHBondContact O-N 3.35Å; Q293-I295 PolarHBondContact O-N 2.79Å; I295-Q297 PolarHBondContact O-N 3.09Å; I295-S298 WeakPolarHBondContact O-CB 3.43Å; I295-S298 PolarHBondContact O-N 3.05Å; I295-S298 PolarHBondContact O-OG 3.48Å; I295-F315 HydrophobicContact CD1-CD2 3.75Å; I295-F315 HydrophobicContact CD1-CE2 3.64Å; I295-F315 HydrophobicContact CG1-CD2 3.72Å; I295-F315 HydrophobicContact CG1-CE2 4.14Å; I295-Y334 HydrophobicContact CD1-CD2 4.15Å; I295-Y334 HydrophobicContact CG1-CD2 3.99Å; I295-Y334 HydrophobicContact CG1-CE2 4.03Å; I295-L337 HydrophobicContact CD1-CB 3.52Å; I295-L337 HydrophobicContact CD1-CD1 3.85Å; I295-L337 HydrophobicContact CD1-CG 4.36Å; I295-R338 HydrophobicContact CG2-CG 4.06Å; I295-L341 HydrophobicContact CB-CD1 4.29Å; I295-L341 HydrophobicContact CG2-CD1 3.65Å
296T78.9Confident71.8Confident64 Ų6470.2 Ų70.239%0.39339%0.394SS..Hα-helixtrans-67.8-35.1-177.158.30000112.9M292 Q293 S298 N299 L341M292-T296 PolarHBondContact O-N 3.34Å; M292-T296 PolarHBondContact O-OG1 3.29Å; Q293-T296 WeakPolarHBondContact CA-OG1 3.11Å; T296-S298 PolarHBondContact O-N 3.21Å; T296-N299 PolarHBondContact O-N 3.29Å; T296-L341 HydrophobicContact CG2-CD1 4.46Å
297Q68.9Low70.7Confident77 Ų7772.8 Ų72.836%0.3641%0.407SS..G310 helixtrans-64.7-24.6173.5-71174-0.900112.5Q293 I295 N299 I306Q293-Q297 VanDerWaalsContact O-CB 3.23Å; Q293-Q297 WeakPolarHBondContact O-CB 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 2.95Å; I295-Q297 PolarHBondContact O-N 3.09Å; Q297-N299 VanDerWaalsContact C-N 3.28Å; Q297-I306 HydrophobicContact CB-CD1 4.27Å
298S59.7Low69.8Low17 Ų1770.2 Ų70.212%0.11940%0.395CS..G310 helixtrans-74.9-18.5174.275.60000113.4I295 T296 G300I295-S298 WeakPolarHBondContact O-CB 3.43Å; I295-S298 PolarHBondContact O-N 3.05Å; I295-S298 PolarHBondContact O-OG 3.48Å; T296-S298 PolarHBondContact O-N 3.21Å; S298-G300 PolarHBondContact O-N 3.41Å
299N54.3Low69.2Low88 Ų8876.2 Ų76.247%0.47142%0.42SS..G310 helixtrans-86.115.1175.9-70-10000113.3T296 Q297T296-N299 PolarHBondContact O-N 3.29Å; Q297-N299 VanDerWaalsContact C-N 3.28Å
300G45.9Very low68.8Low34 Ų3475.1 Ų75.135%0.35141%0.414SS..  trans63.178.416200000115.2S298 N302S298-G300 PolarHBondContact O-N 3.41Å; G300-N302 PolarHBondContact O-N 3.12Å
301V42.8Very low68.5Low131 Ų13171.7 Ų71.779%0.79440%0.398SS*.SBendtrans-74.6-7.9166.9-177.70000112
302N41.4Very low68.4Low153 Ų15372.2 Ų72.282%0.81840%0.403SS*.SBendtrans-146.730.7-178.5-84.6-29000114.6G300 Q304G300-N302 PolarHBondContact O-N 3.12Å; N302-Q304 PolarHBondContact O-N 3.35Å
303G42.6Very low68.4Low70 Ų7075.8 Ų75.872%0.72242%0.421SS*.SBendtrans69.9-5.5172.500000117.1I305G303-I305 PolarHBondContact O-N 3.07Å
304Q44.7Very low68.5Low165 Ų16576.8 Ų76.877%0.77142%0.421SS*.  trans-82.8101.2166.9-73.6-171.6-13.400109.6N302 I306N302-Q304 PolarHBondContact O-N 3.35Å; Q304-I306 PolarHBondContact O-N 3.49Å
305I51.5Low68.9Low160 Ų16076.6 Ų76.682%0.82142%0.42SS*.  trans-64.199.5173.4-58.9171.9000107.9G303 N307G303-I305 PolarHBondContact O-N 3.07Å; I305-N307 PolarHBondContact O-N 3.4Å
306I55Low69.3Low65 Ų6581.1 Ų81.133%0.33344%0.437SS..  trans-67.8119.5168.7-58.5179.7000106.8Q297 Q304 E308 S310Q297-I306 HydrophobicContact CB-CD1 4.27Å; Q304-I306 PolarHBondContact O-N 3.49Å; I306-E308 PolarHBondContact O-N 3.17Å; I306-S310 VanDerWaalsContact CG2-OG 3.27Å; I306-S310 WeakPolarHBondContact CG2-OG 3.48Å
307N71.5Confident70.1Confident94 Ų9483 Ų8350%0.50344%0.441SS..  trans-47.7128.4178.2-178.8-13.4000111I305 K309 S310 S311I305-N307 PolarHBondContact O-N 3.4Å; N307-K309 PolarHBondContact O-N 3.21Å; N307-K309 WeakPolarHBondContact OD1-CB 3.3Å; N307-K309 PolarHBondContact OD1-N 2.97Å; N307-S310 PolarHBondContact O-N 2.98Å; N307-S310 PolarHBondContact O-OG 3.12Å; N307-S311 PolarHBondContact O-N 3.04Å; N307-S311 VanDerWaalsContact O-N 3.14Å
308E75.7Confident71.4Confident62 Ų6281.1 Ų81.129%0.2943%0.433SS..Hα-helixtrans-48.1-37.3178.1-175.3-172.8155.800112I306 S311 A312 R331 Y334 R338 R359I306-E308 PolarHBondContact O-N 3.17Å; E308-S311 PolarHBondContact O-N 2.87Å; E308-A312 WeakPolarHBondContact O-CB 3.37Å; E308-A312 PolarHBondContact O-N 3.23Å; E308-R331 IonicContact OE1-NH2 3.15Å; E308-Y334 HydrophobicContact CG-CE1 4.32Å; E308-Y334 PolarHBondContact O-OH 3.24Å; E308-R338 IonicContact OE1-NH1 3.8Å; E308-R338 PolarHBondContact OE1-NH1 3.4Å; E308-R338 VanDerWaalsContact OE1-NH1 3.1Å; E308-R338 IonicContact OE2-NH1 3.26Å; E308-R338 PolarHBondContact OE2-NH1 3.36Å; E308-R359 IonicContact OE1-NH1 3.37Å; E308-R359 PolarHBondContact OE1-NH1 3.02Å
309K82Confident73.2Confident149 Ų14980.3 Ų80.365%0.64843%0.428SS*.Hα-helixtrans-63-43.1178.1-67.9-177.2179.3177.20112.7N307 A312 I313N307-K309 PolarHBondContact O-N 3.21Å; N307-K309 WeakPolarHBondContact OD1-CB 3.3Å; N307-K309 PolarHBondContact OD1-N 2.97Å; K309-A312 PolarHBondContact O-N 3.49Å; K309-I313 WeakPolarHBondContact O-CD1 3.49Å; K309-I313 VanDerWaalsContact O-CG1 3.24Å; K309-I313 WeakPolarHBondContact O-CG1 3.5Å; K309-I313 PolarHBondContact O-N 3.21Å
310S85Confident75.3Confident55 Ų5581.1 Ų81.139%0.38542%0.424SS..Hα-helixtrans-72.8-37.6-179.356.80000111.4I306 N307 I313 R314I306-S310 VanDerWaalsContact CG2-OG 3.27Å; I306-S310 WeakPolarHBondContact CG2-OG 3.48Å; N307-S310 PolarHBondContact O-N 2.98Å; N307-S310 PolarHBondContact O-OG 3.12Å; S310-I313 PolarHBondContact O-N 2.62Å; S310-R314 WeakPolarHBondContact O-CB 3.31Å; S310-R314 PolarHBondContact O-N 2.8Å
311S87.8Confident77.6Confident3 Ų384 Ų842%0.02144%0.435CS..Hα-helixtrans-60-46.3171.7171.90000111.5T294 N307 E308 I313 R314 F315 Y334T294-S311 PolarHBondContact O-OG 3.19Å; N307-S311 PolarHBondContact O-N 3.04Å; N307-S311 VanDerWaalsContact O-N 3.14Å; E308-S311 PolarHBondContact O-N 2.87Å; S311-I313 PolarHBondContact O-N 3.38Å; S311-R314 PolarHBondContact O-N 3.44Å; S311-F315 WeakPolarHBondContact O-CB 3.37Å; S311-F315 PolarHBondContact O-N 2.76Å; S311-Y334 WeakPolarHBondContact CB-OH 3.28Å; S311-Y334 WeakPolarHBondContact OG-CE2 3.28Å; S311-Y334 PolarHBondContact OG-OH 2.98Å
312A90.6Very high80.2Confident12 Ų1282.3 Ų82.310%0.09942%0.417CS..Hα-helixtrans-63.1-37.8177.500000113.3E308 K309 R316 Y334E308-A312 WeakPolarHBondContact O-CB 3.37Å; E308-A312 PolarHBondContact O-N 3.23Å; K309-A312 PolarHBondContact O-N 3.49Å; A312-R316 WeakPolarHBondContact O-CB 3.36Å; A312-R316 PolarHBondContact O-N 3.25Å; A312-Y334 HydrophobicContact CB-CD1 3.98Å; A312-Y334 HydrophobicContact CB-CE1 3.66Å; A312-Y334 HydrophobicContact CB-CE2 4.4Å; A312-Y334 HydrophobicContact CB-CG 4.47Å
313I92.4Very high82.9Confident97 Ų9775.7 Ų75.750%0.49738%0.382SS..Hα-helixtrans-65.6-48.5175.7-69.6164.9000110.2K309 S310 S311 F315 R316 E317K309-I313 WeakPolarHBondContact O-CD1 3.49Å; K309-I313 VanDerWaalsContact O-CG1 3.24Å; K309-I313 WeakPolarHBondContact O-CG1 3.5Å; K309-I313 PolarHBondContact O-N 3.21Å; S310-I313 PolarHBondContact O-N 2.62Å; S311-I313 PolarHBondContact O-N 3.38Å; I313-F315 PolarHBondContact O-N 2.84Å; I313-R316 WeakPolarHBondContact O-CB 3.45Å; I313-R316 PolarHBondContact O-N 2.82Å; I313-E317 WeakPolarHBondContact O-CG 3.39Å; I313-E317 PolarHBondContact O-N 2.84Å
314R93Very high85.5Confident112 Ų11273.5 Ų73.542%0.42335%0.352SS..Hα-helixtrans-62.7-43178.3-168.6178.8179.9-166.2-3.3111.7T294 S310 S311 R316 E317 I318T294-R314 HydrophobicContact CG2-CB 4.47Å; T294-R314 HydrophobicContact CG2-CG 3.87Å; S310-R314 WeakPolarHBondContact O-CB 3.31Å; S310-R314 PolarHBondContact O-N 2.8Å; S311-R314 PolarHBondContact O-N 3.44Å; R314-R316 VanDerWaalsContact C-N 3.31Å; R314-R316 PolarHBondContact O-N 3.34Å; R314-E317 PolarHBondContact O-N 2.94Å; R314-I318 HydrophobicContact CG-CD1 4.22Å; R314-I318 WeakPolarHBondContact O-CG1 3.28Å; R314-I318 PolarHBondContact O-N 3.35Å
315F95.8Very high88Confident1 Ų165.7 Ų65.70%0.00432%0.316CS..Hα-helixtrans-55.5-48173.3178.9-85.4000110.8V291 T294 I295 S311 I313 E317 I318 S319 S330 V333 Y334 L337V291-F315 HydrophobicContact CG1-CD2 3.87Å; V291-F315 HydrophobicContact CG1-CE2 3.31Å; V291-F315 HydrophobicContact CG1-CZ 3.87Å; T294-F315 WeakPolarHBondContact OG1-CA 3.42Å; T294-F315 WeakPolarHBondContact OG1-CB 3.46Å; T294-F315 WeakPolarHBondContact OG1-CD2 3.26Å; I295-F315 HydrophobicContact CD1-CD2 3.75Å; I295-F315 HydrophobicContact CD1-CE2 3.64Å; I295-F315 HydrophobicContact CG1-CD2 3.72Å; I295-F315 HydrophobicContact CG1-CE2 4.14Å; S311-F315 WeakPolarHBondContact O-CB 3.37Å; S311-F315 PolarHBondContact O-N 2.76Å; I313-F315 PolarHBondContact O-N 2.84Å; F315-E317 PolarHBondContact O-N 2.63Å; F315-I318 PolarHBondContact O-N 3.31Å; F315-S319 WeakPolarHBondContact O-CB 3.37Å; F315-S319 PolarHBondContact O-N 3.11Å; F315-S319 PolarHBondContact O-OG 3.35Å; F315-S330 VanDerWaalsContact CE1-O 3.23Å; F315-S330 WeakPolarHBondContact CE1-O 3.37Å; F315-V333 HydrophobicContact CE1-CB 4.49Å; F315-V333 HydrophobicContact CE1-CG1 4.41Å; F315-V333 HydrophobicContact CZ-CB 4.39Å; F315-V333 HydrophobicContact CZ-CG1 3.85Å; F315-Y334 HydrophobicContact CB-CD2 3.71Å; F315-Y334 HydrophobicContact CB-CE2 4.19Å; F315-Y334 HydrophobicContact CD1-CD2 4.12Å; F315-Y334 HydrophobicContact CD1-CG 4.36Å; F315-Y334 AromaticContact CD2-CD2 3.92Å; F315-Y334 HydrophobicContact CD2-CD2 3.92Å; F315-Y334 AromaticContact CG-CD2 3.63Å; F315-Y334 HydrophobicContact CG-CD2 3.63Å; F315-Y334 HydrophobicContact CG-CG 4.32Å; F315-L337 HydrophobicContact CE2-CD1 4.04Å; F315-L337 HydrophobicContact CZ-CD1 4.16Å
316R96.4Very high90.1Very high95 Ų9559.3 Ų59.336%0.35828%0.283SS..Hα-helixtrans-59.9-44.5178177.8-174.7171.1-157.6-4.1111.9A312 I313 R314 S319 R320A312-R316 WeakPolarHBondContact O-CB 3.36Å; A312-R316 PolarHBondContact O-N 3.25Å; I313-R316 WeakPolarHBondContact O-CB 3.45Å; I313-R316 PolarHBondContact O-N 2.82Å; R314-R316 VanDerWaalsContact C-N 3.31Å; R314-R316 PolarHBondContact O-N 3.34Å; R316-S319 WeakPolarHBondContact CA-OG 3.44Å; R316-S319 PolarHBondContact O-OG 3.27Å; R316-R320 WeakPolarHBondContact O-CB 3.47Å; R316-R320 PolarHBondContact O-N 3.39Å
317E96Very high92Very high102 Ų10264 Ų6448%0.47730%0.296SS..Hα-helixtrans-63.7-47.7-179.1-73.1172.1175.400112.2I313 R314 F315 T321I313-E317 WeakPolarHBondContact O-CG 3.39Å; I313-E317 PolarHBondContact O-N 2.84Å; R314-E317 PolarHBondContact O-N 2.94Å; F315-E317 PolarHBondContact O-N 2.63Å; E317-T321 WeakPolarHBondContact O-CB 3.3Å; E317-T321 PolarHBondContact O-N 2.87Å; E317-T321 PolarHBondContact O-OG1 3.35Å
318I96Very high93Very high39 Ų3963.8 Ų63.820%0.230%0.301CS..Hα-helixtrans-70.8-46.2-179-58.4-172.3000110.7E290 V291 T294 R314 F315 R320 T321 K322E290-I318 HydrophobicContact CB-CG2 4.29Å; V291-I318 HydrophobicContact CG2-CG2 3.83Å; T294-I318 HydrophobicContact CG2-CD1 3.5Å; T294-I318 VanDerWaalsContact CG2-CD1 3.5Å; T294-I318 HydrophobicContact CG2-CG1 4.28Å; R314-I318 HydrophobicContact CG-CD1 4.22Å; R314-I318 WeakPolarHBondContact O-CG1 3.28Å; R314-I318 PolarHBondContact O-N 3.35Å; F315-I318 PolarHBondContact O-N 3.31Å; I318-R320 VanDerWaalsContact C-N 3.34Å; I318-R320 PolarHBondContact O-N 3.44Å; I318-T321 PolarHBondContact O-N 3.41Å; I318-T321 VanDerWaalsContact O-N 3.12Å; I318-K322 HydrophobicContact CG2-CG 4.07Å; I318-K322 WeakPolarHBondContact O-CB 3.46Å; I318-K322 WeakPolarHBondContact O-CG 3.29Å; I318-K322 PolarHBondContact O-N 2.94Å
319S97.4Very high94.1Very high0 Ų060.9 Ų60.90%029%0.288CS..Hα-helixtrans-63.8-36.1177.862.70000112.7F315 R316 L323 K324 L325 S330F315-S319 WeakPolarHBondContact O-CB 3.37Å; F315-S319 PolarHBondContact O-N 3.11Å; F315-S319 PolarHBondContact O-OG 3.35Å; R316-S319 WeakPolarHBondContact CA-OG 3.44Å; R316-S319 PolarHBondContact O-OG 3.27Å; S319-L323 CarbonylContact O-C 3.4Å; S319-L323 VanDerWaalsContact O-CA 3.28Å; S319-L323 WeakPolarHBondContact O-CA 3.47Å; S319-L323 VanDerWaalsContact O-CB 3.29Å; S319-L323 WeakPolarHBondContact O-CB 3.25Å; S319-L323 PolarHBondContact O-N 2.95Å; S319-K324 PolarHBondContact O-N 3.49Å; S319-K324 VanDerWaalsContact O-N 3.15Å; S319-L325 PolarHBondContact O-N 3.15Å; S319-S330 PolarHBondContact OG-OG 3.32Å
320R97.2Very high94.8Very high105 Ų10553.9 Ų53.940%0.39626%0.258SS..Hα-helixtrans-62.6-45.7170.7-178.2-177.262.5167.8-1.5111.1I262 D263 R316 I318 K324I262-R320 WeakPolarHBondContact O-CG 3.45Å; D263-R320 HydrophobicContact CB-CG 4.48Å; R316-R320 WeakPolarHBondContact O-CB 3.47Å; R316-R320 PolarHBondContact O-N 3.39Å; I318-R320 VanDerWaalsContact C-N 3.34Å; I318-R320 PolarHBondContact O-N 3.44Å; R320-K324 WeakPolarHBondContact O-CA 3.41Å; R320-K324 WeakPolarHBondContact O-CD 3.32Å; R320-K324 PolarHBondContact O-N 3.07Å
321T95.6Very high95.2Very high93 Ų9355.3 Ų55.357%0.57126%0.255SS*.Hα-helixtrans-67.7-46.1-176.1-55.90000112E317 I318E317-T321 WeakPolarHBondContact O-CB 3.3Å; E317-T321 PolarHBondContact O-N 2.87Å; E317-T321 PolarHBondContact O-OG1 3.35Å; I318-T321 PolarHBondContact O-N 3.41Å; I318-T321 VanDerWaalsContact O-N 3.12Å
322K96.1Very high95.5Very high97 Ų9757.6 Ų57.642%0.42226%0.263SS..Hα-helixtrans-85.9-36.3-173.5-66.4-80.1-179.8155.40113.2T288 E290 V291 I318T288-K322 HydrophobicContact CG2-CB 4.39Å; E290-K322 IonicContact OE1-NZ 3.21Å; E290-K322 PolarHBondContact OE1-NZ 3.08Å; V291-K322 HydrophobicContact CG2-CB 4.47Å; I318-K322 HydrophobicContact CG2-CG 4.07Å; I318-K322 WeakPolarHBondContact O-CB 3.46Å; I318-K322 WeakPolarHBondContact O-CG 3.29Å; I318-K322 PolarHBondContact O-N 2.94Å
323L97.6Very high95.9Very high14 Ų1457 Ų577%0.07326%0.258CS..Hα-helixtrans-122.4-0.6-169.4-57.9178000113.7R284 C285 V291 S319 L325R284-L323 HydrophobicContact CB-CD1 4.17Å; R284-L323 HydrophobicContact CB-CD2 4.3Å; R284-L323 PolarHBondContact NH1-O 3.44Å; R284-L323 PolarHBondContact NH2-O 3.12Å; C285-L323 HydrophobicContact CB-CD1 4.42Å; C285-L323 VanDerWaalsContact SG-CD1 3.56Å; V291-L323 HydrophobicContact CG2-CD1 4.23Å; S319-L323 CarbonylContact O-C 3.4Å; S319-L323 VanDerWaalsContact O-CA 3.28Å; S319-L323 WeakPolarHBondContact O-CA 3.47Å; S319-L323 VanDerWaalsContact O-CB 3.29Å; S319-L323 WeakPolarHBondContact O-CB 3.25Å; S319-L323 PolarHBondContact O-N 2.95Å; L323-L325 HydrophobicContact CB-CD2 4.49Å; L323-L325 HydrophobicContact CB-CG 4.15Å; L323-L325 PolarHBondContact O-N 2.89Å
324K97.9Very high96Very high23 Ų2352.4 Ų52.410%0.124%0.235CC..  trans57.129.5-178.3-50.1-56.1-174.11690113.8V256 M258 V261 D263 I264 S319 R320 N326V256-K324 HydrophobicContact CB-CG 4.24Å; V256-K324 HydrophobicContact CG1-CG 4.18Å; V256-K324 HydrophobicContact CG2-CB 4.38Å; V256-K324 HydrophobicContact CG2-CG 4.13Å; V256-K324 WeakPolarHBondContact O-CE 3.2Å; M258-K324 PolarHBondContact O-NZ 3.11Å; V261-K324 HydrophobicContact CG1-CB 4.48Å; V261-K324 HydrophobicContact CG1-CD 4.34Å; V261-K324 HydrophobicContact CG1-CG 4.19Å; V261-K324 WeakPolarHBondContact O-CD 3.43Å; V261-K324 WeakPolarHBondContact O-CE 3.37Å; V261-K324 PolarHBondContact O-NZ 2.55Å; D263-K324 CarbonylContact C-O 3.54Å; D263-K324 WeakPolarHBondContact CA-O 3.48Å; I264-K324 HydrophobicContact CD1-CB 4.06Å; I264-K324 HydrophobicContact CG1-CB 4Å; I264-K324 PolarHBondContact N-O 2.84Å; S319-K324 PolarHBondContact O-N 3.49Å; S319-K324 VanDerWaalsContact O-N 3.15Å; R320-K324 WeakPolarHBondContact O-CA 3.41Å; R320-K324 WeakPolarHBondContact O-CD 3.32Å; R320-K324 PolarHBondContact O-N 3.07Å; K324-N326 PolarHBondContact O-N 3.06Å
325L97.8Very high96Very high2 Ų247.5 Ų47.51%0.0122%0.217CC..BIsolated β-bridgetrans-67.4131.7174.4-60.4-167.1000110.8D281 S319 L323 Q329 S330 V333D281-L325 HydrophobicContact CB-CD1 4.43Å; D281-L325 HydrophobicContact CB-CD2 4Å; D281-L325 VanDerWaalsContact CG-CD2 3.47Å; D281-L325 WeakPolarHBondContact OD2-CD2 3.32Å; S319-L325 PolarHBondContact O-N 3.15Å; L323-L325 HydrophobicContact CB-CD2 4.49Å; L323-L325 HydrophobicContact CB-CG 4.15Å; L323-L325 PolarHBondContact O-N 2.89Å; L325-Q329 HydrophobicContact CD2-CG 4.36Å; L325-S330 VanDerWaalsContact CB-OG 3.23Å; L325-S330 WeakPolarHBondContact CB-OG 3.3Å; L325-V333 HydrophobicContact CD1-CB 4.39Å; L325-V333 HydrophobicContact CD1-CG1 4.45Å; L325-V333 HydrophobicContact CD1-CG2 4.26Å
326N96Very high96Very high25 Ų2547.5 Ų47.513%0.13422%0.216CC..  trans-73.7169.7172.678.821.1000111.1D263 I264 K324 C328 Q329 S330D263-N326 HydrophobicContact CB-CB 4.05Å; I264-N326 WeakPolarHBondContact O-CB 3.47Å; I264-N326 PolarHBondContact O-ND2 2.87Å; K324-N326 PolarHBondContact O-N 3.06Å; N326-C328 PolarHBondContact O-N 2.94Å; N326-C328 PolarHBondContact OD1-N 2.97Å; N326-C328 VanDerWaalsContact OD1-N 3.16Å; N326-Q329 PolarHBondContact O-N 2.92Å; N326-Q329 VanDerWaalsContact OD1-CB 3.29Å; N326-Q329 WeakPolarHBondContact OD1-CB 3.04Å; N326-Q329 PolarHBondContact OD1-N 3.06Å; N326-S330 WeakPolarHBondContact O-CB 3.47Å; N326-S330 PolarHBondContact O-N 3.12Å; N326-S330 PolarHBondContact O-OG 3.01Å; N326-S330 VanDerWaalsContact O-OG 3.12Å
327R94.8Very high96Very high163 Ų16343 Ų4362%0.61520%0.199SC*.Hα-helixtrans-53.6-48.3-176.5179.1178.9-178-180-0.4113.6R331R327-R331 PolarHBondContact O-N 3.09Å
328C92.9Very high95.8Very high90 Ų9040.3 Ų40.361%0.60819%0.185SC*.Hα-helixtrans-71.2-44-174.9-60.80000110.6N326 R331 R332N326-C328 PolarHBondContact O-N 2.94Å; N326-C328 PolarHBondContact OD1-N 2.97Å; N326-C328 VanDerWaalsContact OD1-N 3.16Å; C328-R331 WeakPolarHBondContact O-CB 2.97Å; C328-R331 PolarHBondContact O-N 2.75Å; C328-R332 WeakPolarHBondContact O-CG 3.27Å; C328-R332 PolarHBondContact O-N 3.39Å; C328-R332 VanDerWaalsContact O-N 3.08Å
329Q96.9Very high95.6Very high2 Ų238.7 Ų38.71%0.00918%0.177CC..Hα-helixtrans-66.4-43.2178.8-168.360.319.100111.9D278 D281 L325 N326 R331 R332 V333D278-Q329 PolarHBondContact OD1-NE2 3.2Å; D281-Q329 WeakPolarHBondContact OD2-CG 3.21Å; D281-Q329 PolarHBondContact OD2-NE2 3.35Å; L325-Q329 HydrophobicContact CD2-CG 4.36Å; N326-Q329 PolarHBondContact O-N 2.92Å; N326-Q329 VanDerWaalsContact OD1-CB 3.29Å; N326-Q329 WeakPolarHBondContact OD1-CB 3.04Å; N326-Q329 PolarHBondContact OD1-N 3.06Å; Q329-R331 PolarHBondContact O-N 3.42Å; Q329-R332 PolarHBondContact O-N 3.23Å; Q329-V333 HydrophobicContact CG-CG2 4.19Å; Q329-V333 WeakPolarHBondContact O-CB 3.23Å; Q329-V333 VanDerWaalsContact O-CG2 3.27Å; Q329-V333 WeakPolarHBondContact O-CG2 3.39Å; Q329-V333 PolarHBondContact O-N 2.62Å
330S97.1Very high95.4Very high2 Ų240.1 Ų40.11%0.01418%0.183CC..Hα-helixtrans-55.3-39.6173.1-69.50000111.7F315 S319 L325 N326 Y334F315-S330 VanDerWaalsContact CE1-O 3.23Å; F315-S330 WeakPolarHBondContact CE1-O 3.37Å; S319-S330 PolarHBondContact OG-OG 3.32Å; L325-S330 VanDerWaalsContact CB-OG 3.23Å; L325-S330 WeakPolarHBondContact CB-OG 3.3Å; N326-S330 WeakPolarHBondContact O-CB 3.47Å; N326-S330 PolarHBondContact O-N 3.12Å; N326-S330 PolarHBondContact O-OG 3.01Å; N326-S330 VanDerWaalsContact O-OG 3.12Å; S330-Y334 WeakPolarHBondContact O-CB 3.48Å; S330-Y334 PolarHBondContact O-N 3.41Å
331R93.8Very high95Very high84 Ų8438 Ų3832%0.31718%0.179SC..Hα-helixtrans-66-47.9178.8-178.366.2-174.5-168.228.8111.7E308 R327 C328 Q329 Y334 E335 R359E308-R331 IonicContact OE1-NH2 3.15Å; R327-R331 PolarHBondContact O-N 3.09Å; C328-R331 WeakPolarHBondContact O-CB 2.97Å; C328-R331 PolarHBondContact O-N 2.75Å; Q329-R331 PolarHBondContact O-N 3.42Å; R331-Y334 WeakPolarHBondContact O-CB 3.07Å; R331-Y334 PolarHBondContact O-N 3.18Å; R331-E335 IonicContact CZ-OE1 2.67Å; R331-E335 VanDerWaalsContact CZ-OE1 3.23Å; R331-E335 IonicContact NE-OE1 2.74Å; R331-E335 PolarHBondContact NE-OE1 3.24Å; R331-E335 IonicContact NH2-OE1 3.34Å; R331-E335 PolarHBondContact NH2-OE1 2.89Å; R331-E335 WeakPolarHBondContact O-CG 3.49Å; R331-E335 PolarHBondContact O-N 2.88Å; R331-E335 VanDerWaalsContact O-N 3.07Å; R331-R359 VanDerWaalsContact NH2-NE 3.11Å
332R95.2Very high94.6Very high51 Ų5135.1 Ų35.119%0.19216%0.16CC..Hα-helixtrans-60.3-50.1178.2-66.7-179.364.482.31.1111.6D278 C328 Q329 Y334 E335 I336 L412D278-R332 IonicContact OD1-NE 3.86Å; D278-R332 PolarHBondContact OD1-NE 2.81Å; D278-R332 IonicContact OD2-CZ 3.1Å; D278-R332 IonicContact OD2-NE 3.1Å; D278-R332 PolarHBondContact OD2-NE 2.78Å; D278-R332 IonicContact OD2-NH2 3.39Å; D278-R332 PolarHBondContact OD2-NH2 2.9Å; C328-R332 WeakPolarHBondContact O-CG 3.27Å; C328-R332 PolarHBondContact O-N 3.39Å; C328-R332 VanDerWaalsContact O-N 3.08Å; Q329-R332 PolarHBondContact O-N 3.23Å; R332-Y334 VanDerWaalsContact C-N 3.32Å; R332-Y334 PolarHBondContact O-N 3.13Å; R332-E335 PolarHBondContact O-N 3.49Å; R332-E335 VanDerWaalsContact O-N 3.12Å; R332-I336 WeakPolarHBondContact O-CG1 3.36Å; R332-I336 PolarHBondContact O-N 3.32Å; R332-L412 VanDerWaalsContact NH1-CD1 3.25Å
333V97.2Very high94.1Very high0 Ų033.7 Ų33.70%016%0.161CC..Hα-helixtrans-61.5-41.5179.7175.20000111D281 C285 F315 L325 Q329 E335 I336 L337D281-V333 HydrophobicContact CB-CG2 3.66Å; C285-V333 HydrophobicContact CB-CG1 4.39Å; F315-V333 HydrophobicContact CE1-CB 4.49Å; F315-V333 HydrophobicContact CE1-CG1 4.41Å; F315-V333 HydrophobicContact CZ-CB 4.39Å; F315-V333 HydrophobicContact CZ-CG1 3.85Å; L325-V333 HydrophobicContact CD1-CB 4.39Å; L325-V333 HydrophobicContact CD1-CG1 4.45Å; L325-V333 HydrophobicContact CD1-CG2 4.26Å; Q329-V333 HydrophobicContact CG-CG2 4.19Å; Q329-V333 WeakPolarHBondContact O-CB 3.23Å; Q329-V333 VanDerWaalsContact O-CG2 3.27Å; Q329-V333 WeakPolarHBondContact O-CG2 3.39Å; Q329-V333 PolarHBondContact O-N 2.62Å; V333-E335 VanDerWaalsContact C-N 3.34Å; V333-E335 PolarHBondContact O-N 3.4Å; V333-I336 PolarHBondContact O-N 3.21Å; V333-L337 HydrophobicContact CG1-CD1 3.73Å; V333-L337 HydrophobicContact CG1-CG 4.25Å; V333-L337 WeakPolarHBondContact O-CB 3.4Å; V333-L337 VanDerWaalsContact O-CG 3.25Å; V333-L337 WeakPolarHBondContact O-CG 3.22Å; V333-L337 PolarHBondContact O-N 3.44Å
334Y95.5Very high93.3Very high1 Ų139.9 Ų39.90%0.00418%0.183CC..Hα-helixtrans-57.3-46.3173.6175.9-101.9000112I295 E308 S311 A312 F315 S330 R331 R332 L337 R338I295-Y334 HydrophobicContact CD1-CD2 4.15Å; I295-Y334 HydrophobicContact CG1-CD2 3.99Å; I295-Y334 HydrophobicContact CG1-CE2 4.03Å; E308-Y334 HydrophobicContact CG-CE1 4.32Å; E308-Y334 PolarHBondContact O-OH 3.24Å; S311-Y334 WeakPolarHBondContact CB-OH 3.28Å; S311-Y334 WeakPolarHBondContact OG-CE2 3.28Å; S311-Y334 PolarHBondContact OG-OH 2.98Å; A312-Y334 HydrophobicContact CB-CD1 3.98Å; A312-Y334 HydrophobicContact CB-CE1 3.66Å; A312-Y334 HydrophobicContact CB-CE2 4.4Å; A312-Y334 HydrophobicContact CB-CG 4.47Å; F315-Y334 HydrophobicContact CB-CD2 3.71Å; F315-Y334 HydrophobicContact CB-CE2 4.19Å; F315-Y334 HydrophobicContact CD1-CD2 4.12Å; F315-Y334 HydrophobicContact CD1-CG 4.36Å; F315-Y334 AromaticContact CD2-CD2 3.92Å; F315-Y334 HydrophobicContact CD2-CD2 3.92Å; F315-Y334 AromaticContact CG-CD2 3.63Å; F315-Y334 HydrophobicContact CG-CD2 3.63Å; F315-Y334 HydrophobicContact CG-CG 4.32Å; S330-Y334 WeakPolarHBondContact O-CB 3.48Å; S330-Y334 PolarHBondContact O-N 3.41Å; R331-Y334 WeakPolarHBondContact O-CB 3.07Å; R331-Y334 PolarHBondContact O-N 3.18Å; R332-Y334 VanDerWaalsContact C-N 3.32Å; R332-Y334 PolarHBondContact O-N 3.13Å; Y334-L337 PolarHBondContact O-N 3.35Å; Y334-R338 HydrophobicContact CD1-CG 4.47Å; Y334-R338 HydrophobicContact CE1-CG 4.12Å; Y334-R338 HydrophobicContact CE2-CG 4.32Å; Y334-R338 VanDerWaalsContact CZ-CD 3.48Å; Y334-R338 WeakPolarHBondContact O-CG 3.15Å; Y334-R338 PolarHBondContact O-N 3.48Å
335E93.6Very high92.8Very high9 Ų941.9 Ų41.94%0.04220%0.198CC..Hα-helixtrans-66.3-43.1-179.7-71.2-177.3-173.900112.3R331 R332 V333 R338 L339 F352 L356 R359 Y416R331-E335 IonicContact CZ-OE1 2.67Å; R331-E335 VanDerWaalsContact CZ-OE1 3.23Å; R331-E335 IonicContact NE-OE1 2.74Å; R331-E335 PolarHBondContact NE-OE1 3.24Å; R331-E335 IonicContact NH2-OE1 3.34Å; R331-E335 PolarHBondContact NH2-OE1 2.89Å; R331-E335 WeakPolarHBondContact O-CG 3.49Å; R331-E335 PolarHBondContact O-N 2.88Å; R331-E335 VanDerWaalsContact O-N 3.07Å; R332-E335 PolarHBondContact O-N 3.49Å; R332-E335 VanDerWaalsContact O-N 3.12Å; V333-E335 VanDerWaalsContact C-N 3.34Å; V333-E335 PolarHBondContact O-N 3.4Å; E335-R338 PolarHBondContact O-N 2.88Å; E335-L339 PolarHBondContact O-N 3.45Å; E335-F352 HydrophobicContact CB-CZ 4.09Å; E335-F352 WeakPolarHBondContact O-CE2 3.26Å; E335-F352 WeakPolarHBondContact O-CZ 3.36Å; E335-L356 VanDerWaalsContact OE2-CD1 3.27Å; E335-L356 WeakPolarHBondContact OE2-CD1 3.23Å; E335-R359 IonicContact OE1-CZ 3.23Å; E335-R359 IonicContact OE1-NE 2.97Å; E335-R359 PolarHBondContact OE1-NE 2.98Å; E335-R359 IonicContact OE1-NH2 2.87Å; E335-R359 PolarHBondContact OE1-NH2 2.93Å; E335-R359 VanDerWaalsContact OE1-NH2 3.1Å; E335-R359 IonicContact OE2-CZ 3.3Å; E335-R359 IonicContact OE2-NE 3.17Å; E335-R359 IonicContact OE2-NH2 3.77Å; E335-R359 PolarHBondContact OE2-NH2 2.64Å; E335-Y416 HydrophobicContact CB-CE2 3.87Å
336I95.7Very high92.4Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-61.2-46.1175.1-65.5164.2000110.7D278 C282 R332 V333 R338 L339 F340 Y416 T419 V420 L423D278-I336 HydrophobicContact CB-CD1 3.73Å; C282-I336 VanDerWaalsContact SG-CG2 3.54Å; R332-I336 WeakPolarHBondContact O-CG1 3.36Å; R332-I336 PolarHBondContact O-N 3.32Å; V333-I336 PolarHBondContact O-N 3.21Å; I336-R338 VanDerWaalsContact C-N 3.34Å; I336-R338 PolarHBondContact O-N 2.81Å; I336-L339 PolarHBondContact O-N 2.89Å; I336-F340 WeakPolarHBondContact O-CB 3.39Å; I336-F340 PolarHBondContact O-N 3Å; I336-Y416 HydrophobicContact CD1-CD1 3.74Å; I336-Y416 HydrophobicContact CD1-CE1 3.84Å; I336-Y416 HydrophobicContact CG1-CD1 3.37Å; I336-Y416 HydrophobicContact CG1-CD2 4.23Å; I336-Y416 HydrophobicContact CG1-CE1 3.69Å; I336-Y416 HydrophobicContact CG1-CG 3.66Å; I336-T419 HydrophobicContact CD1-CG2 4.37Å; I336-T419 HydrophobicContact CG2-CG2 3.8Å; I336-V420 HydrophobicContact CG2-CG2 4.22Å; I336-L423 HydrophobicContact CG2-CD1 4.13Å
337L95Very high92.1Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-69-31.6-180-69.8173.5000112.5C282 C285 L286 M292 I295 F315 V333 Y334 F340 L341 L423C282-L337 HydrophobicContact CB-CD2 4.07Å; C285-L337 HydrophobicContact CB-CD1 3.61Å; L286-L337 HydrophobicContact CD2-CD2 4.04Å; L286-L337 HydrophobicContact CG-CD2 4.02Å; M292-L337 HydrophobicContact SD-CD1 3.91Å; M292-L337 HydrophobicContact SD-CD2 4.5Å; I295-L337 HydrophobicContact CD1-CB 3.52Å; I295-L337 HydrophobicContact CD1-CD1 3.85Å; I295-L337 HydrophobicContact CD1-CG 4.36Å; F315-L337 HydrophobicContact CE2-CD1 4.04Å; F315-L337 HydrophobicContact CZ-CD1 4.16Å; V333-L337 HydrophobicContact CG1-CD1 3.73Å; V333-L337 HydrophobicContact CG1-CG 4.25Å; V333-L337 WeakPolarHBondContact O-CB 3.4Å; V333-L337 VanDerWaalsContact O-CG 3.25Å; V333-L337 WeakPolarHBondContact O-CG 3.22Å; V333-L337 PolarHBondContact O-N 3.44Å; Y334-L337 PolarHBondContact O-N 3.35Å; L337-F340 PolarHBondContact O-N 3.46Å; L337-L341 VanDerWaalsContact O-CG 3.28Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 2.86Å; L337-L341 VanDerWaalsContact O-N 3.09Å; L337-L423 HydrophobicContact CD2-CD1 4.39Å
338R91.9Very high91.7Very high46 Ų4652.5 Ų52.517%0.17425%0.254CS..Hα-helixtrans-62.7-49.4169-78.4-167.972.8-141.70.2110.8I295 E308 Y334 E335 I336 F340 L341 L342 F352I295-R338 HydrophobicContact CG2-CG 4.06Å; E308-R338 IonicContact OE1-NH1 3.8Å; E308-R338 PolarHBondContact OE1-NH1 3.4Å; E308-R338 VanDerWaalsContact OE1-NH1 3.1Å; E308-R338 IonicContact OE2-NH1 3.26Å; E308-R338 PolarHBondContact OE2-NH1 3.36Å; Y334-R338 HydrophobicContact CD1-CG 4.47Å; Y334-R338 HydrophobicContact CE1-CG 4.12Å; Y334-R338 HydrophobicContact CE2-CG 4.32Å; Y334-R338 VanDerWaalsContact CZ-CD 3.48Å; Y334-R338 WeakPolarHBondContact O-CG 3.15Å; Y334-R338 PolarHBondContact O-N 3.48Å; E335-R338 PolarHBondContact O-N 2.88Å; I336-R338 VanDerWaalsContact C-N 3.34Å; I336-R338 PolarHBondContact O-N 2.81Å; R338-F340 VanDerWaalsContact C-N 3.26Å; R338-F340 PolarHBondContact O-N 3.37Å; R338-L341 PolarHBondContact O-N 2.76Å; R338-L341 VanDerWaalsContact O-N 3.12Å; R338-L342 VanDerWaalsContact O-CG 3.28Å; R338-L342 WeakPolarHBondContact O-CG 3.46Å; R338-L342 PolarHBondContact O-N 2.88Å; R338-F352 HydrophobicContact CB-CE2 4.35Å
339L91.9Very high91.4Very high6 Ų649.6 Ų49.63%0.03123%0.233CC..Hα-helixtrans-59.7-39177.1-175.462.2000111.9E335 I336 L341 L342 F352 L413 Q417 V420E335-L339 PolarHBondContact O-N 3.45Å; I336-L339 PolarHBondContact O-N 2.89Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 2.85Å; L339-L342 PolarHBondContact O-N 3.01Å; L339-F352 HydrophobicContact CB-CD2 4.36Å; L339-F352 HydrophobicContact CB-CE1 4.37Å; L339-F352 HydrophobicContact CB-CE2 3.96Å; L339-F352 HydrophobicContact CB-CZ 3.96Å; L339-F352 HydrophobicContact CD1-CB 4.44Å; L339-F352 HydrophobicContact CD1-CD1 4.1Å; L339-F352 HydrophobicContact CD1-CD2 4.39Å; L339-F352 HydrophobicContact CD1-CE1 4.47Å; L339-F352 HydrophobicContact CD1-CG 4.06Å; L339-F352 HydrophobicContact CD2-CE1 4.24Å; L339-L413 HydrophobicContact CD2-CD1 4.36Å; L339-Q417 HydrophobicContact CD2-CG 3.99Å; L339-V420 HydrophobicContact CB-CG2 4.21Å; L339-V420 HydrophobicContact CD2-CG2 4.1Å; L339-V420 HydrophobicContact CG-CG2 4.06Å
340F92.9Very high91Very high29 Ų2956.2 Ų56.213%0.12726%0.262CS..Hα-helixtrans-60.6-36.7175.3175.6-106.5000113.1L286 I336 L337 R338 V420 L423 V427L286-F340 HydrophobicContact CD2-CD1 4.35Å; L286-F340 HydrophobicContact CD2-CE1 3.99Å; I336-F340 WeakPolarHBondContact O-CB 3.39Å; I336-F340 PolarHBondContact O-N 3Å; L337-F340 PolarHBondContact O-N 3.46Å; R338-F340 VanDerWaalsContact C-N 3.26Å; R338-F340 PolarHBondContact O-N 3.37Å; F340-V420 HydrophobicContact CB-CG2 4.05Å; F340-V420 HydrophobicContact CD2-CG1 4.17Å; F340-L423 HydrophobicContact CD2-CB 3.83Å; F340-L423 HydrophobicContact CD2-CD1 4.3Å; F340-L423 HydrophobicContact CE2-CB 3.81Å; F340-L423 HydrophobicContact CG-CD1 4.4Å; F340-V427 HydrophobicContact CZ-CG2 3.83Å
341L89.7Confident90.6Very high60 Ų6059.6 Ų59.631%0.31429%0.286SS..Hα-helixtrans-89.7-16-178.2-67174.5000114M292 I295 T296 L337 R338 L339M292-L341 HydrophobicContact CE-CD1 3.99Å; I295-L341 HydrophobicContact CB-CD1 4.29Å; I295-L341 HydrophobicContact CG2-CD1 3.65Å; T296-L341 HydrophobicContact CG2-CD1 4.46Å; L337-L341 VanDerWaalsContact O-CG 3.28Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 2.86Å; L337-L341 VanDerWaalsContact O-N 3.09Å; R338-L341 PolarHBondContact O-N 2.76Å; R338-L341 VanDerWaalsContact O-N 3.12Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 2.85Å
342L87.2Confident90.4Very high33 Ų3355.9 Ų55.917%0.17327%0.272CS..SBendtrans-72.3147.1177.7-77.2170.5000110.9R338 L339 R344 Y348 F352R338-L342 VanDerWaalsContact O-CG 3.28Å; R338-L342 WeakPolarHBondContact O-CG 3.46Å; R338-L342 PolarHBondContact O-N 2.88Å; L339-L342 PolarHBondContact O-N 3.01Å; L342-R344 PolarHBondContact O-N 3.26Å; L342-Y348 HydrophobicContact CD2-CD1 4.08Å; L342-F352 HydrophobicContact CD1-CB 4.34Å; L342-F352 HydrophobicContact CD1-CD2 3.99Å
343P85Confident90.2Very high67 Ų6754.8 Ų54.844%0.43527%0.272SS..  trans-56.7126.3164-18.931.4000108.9T345 Y348P343-T345 PolarHBondContact O-N 3.15Å; P343-Y348 HydrophobicContact CB-CD2 3.72Å; P343-Y348 HydrophobicContact CB-CE2 3.88Å; P343-Y348 HydrophobicContact CB-CG 4.43Å; P343-Y348 HydrophobicContact CG-CD2 3.99Å; P343-Y348 HydrophobicContact CG-CE2 3.8Å; P343-Y348 WeakPolarHBondContact O-CB 3.34Å
344R82.1Confident89.8Confident144 Ų14459.3 Ų59.354%0.54330%0.296SS..  trans-83.540.9-175.1-68.2172.5-82.4-171.3-21.9112.6L342 D424L342-R344 PolarHBondContact O-N 3.26Å; R344-D424 IonicContact CZ-OD1 2.69Å; R344-D424 IonicContact CZ-OD2 2.81Å; R344-D424 IonicContact NH1-OD1 3.4Å; R344-D424 IonicContact NH1-OD2 3.88Å; R344-D424 PolarHBondContact NH1-OD2 3.38Å; R344-D424 IonicContact NH2-OD1 3.17Å; R344-D424 PolarHBondContact NH2-OD1 3.03Å; R344-D424 IonicContact NH2-OD2 3.41Å
345T87.6Confident89.5Confident66 Ų6660.6 Ų60.641%0.40531%0.307SS..SBendtrans-83.6157171.972.30000109.8P343 E347 Y348 V349P343-T345 PolarHBondContact O-N 3.15Å; T345-E347 PolarHBondContact O-N 3.06Å; T345-E347 VanDerWaalsContact O-N 3.15Å; T345-Y348 PolarHBondContact O-N 3.43Å; T345-Y348 VanDerWaalsContact O-N 3.16Å; T345-Y348 VanDerWaalsContact OG1-CD2 3.28Å; T345-Y348 WeakPolarHBondContact OG1-CD2 3.33Å; T345-V349 WeakPolarHBondContact O-CG2 3.42Å; T345-V349 PolarHBondContact O-N 3.49Å
346D87.9Confident89.3Confident145 Ų14560.3 Ų60.378%0.77531%0.306SS*.Hα-helixtrans-55.4-35.5-178.1-64.6-24.2000112.5K350D346-K350 WeakPolarHBondContact O-CB 3.44Å; D346-K350 PolarHBondContact O-N 2.93Å
347E89.7Confident89.1Confident157 Ų15762.7 Ų62.773%0.73432%0.321SS*.Hα-helixtrans-62.8-49.2178-65178.4175.700112.7T345 K350 S351T345-E347 PolarHBondContact O-N 3.06Å; T345-E347 VanDerWaalsContact O-N 3.15Å; E347-K350 PolarHBondContact O-N 2.8Å; E347-S351 WeakPolarHBondContact O-CB 3.29Å; E347-S351 PolarHBondContact O-N 2.93Å
348Y86.9Confident88.8Confident110 Ų11070.4 Ų70.443%0.43135%0.354SS..Hα-helixtrans-70.5-37.7179.5-76.8-75.2000111.8L342 P343 T345 S351 F352L342-Y348 HydrophobicContact CD2-CD1 4.08Å; P343-Y348 HydrophobicContact CB-CD2 3.72Å; P343-Y348 HydrophobicContact CB-CE2 3.88Å; P343-Y348 HydrophobicContact CB-CG 4.43Å; P343-Y348 HydrophobicContact CG-CD2 3.99Å; P343-Y348 HydrophobicContact CG-CE2 3.8Å; P343-Y348 WeakPolarHBondContact O-CB 3.34Å; T345-Y348 PolarHBondContact O-N 3.43Å; T345-Y348 VanDerWaalsContact O-N 3.16Å; T345-Y348 VanDerWaalsContact OG1-CD2 3.28Å; T345-Y348 WeakPolarHBondContact OG1-CD2 3.33Å; Y348-S351 PolarHBondContact O-N 3Å; Y348-F352 WeakPolarHBondContact O-CB 3.31Å; Y348-F352 PolarHBondContact O-N 3.08Å
349V86.6Confident88.5Confident30 Ų3070.7 Ų70.718%0.18236%0.355CS..Hα-helixtrans-64.5-42.8175.8175.20000110.3T345 F352 S353T345-V349 WeakPolarHBondContact O-CG2 3.42Å; T345-V349 PolarHBondContact O-N 3.49Å; V349-F352 PolarHBondContact O-N 2.59Å; V349-S353 WeakPolarHBondContact O-CB 3.49Å; V349-S353 PolarHBondContact O-N 3.49Å
350K89Confident88.3Confident141 Ų14171.3 Ų71.361%0.61336%0.361SS*.Hα-helixtrans-61.9-47.9174.2-175.3174.3-178.5177.10111.6D346 E347 F352 S353 D354D346-K350 WeakPolarHBondContact O-CB 3.44Å; D346-K350 PolarHBondContact O-N 2.93Å; E347-K350 PolarHBondContact O-N 2.8Å; K350-F352 VanDerWaalsContact C-N 3.28Å; K350-F352 PolarHBondContact O-N 3.15Å; K350-S353 WeakPolarHBondContact O-CA 3.38Å; K350-S353 WeakPolarHBondContact O-CB 3.37Å; K350-S353 PolarHBondContact O-N 3.46Å; K350-D354 VanDerWaalsContact O-CG 3.3Å; K350-D354 PolarHBondContact O-N 3.03Å
351S88.9Confident88Confident73 Ų7371.6 Ų71.651%0.5137%0.365SS..Hα-helixtrans-57.9-40.5176.2-175.80000112.6E347 Y348 A355E347-S351 WeakPolarHBondContact O-CB 3.29Å; E347-S351 PolarHBondContact O-N 2.93Å; Y348-S351 PolarHBondContact O-N 3Å; S351-A355 WeakPolarHBondContact O-CB 3.27Å; S351-A355 PolarHBondContact O-N 3.45Å; S351-A355 VanDerWaalsContact O-N 3.1Å
352F89.6Confident87.8Confident6 Ų670.6 Ų70.63%0.02637%0.365CS..Hα-helixtrans-65.7-42.3174.6-177.7-86.1000111.9E335 R338 L339 L342 Y348 V349 K350 A355 L356 L413 Y416E335-F352 HydrophobicContact CB-CZ 4.09Å; E335-F352 WeakPolarHBondContact O-CE2 3.26Å; E335-F352 WeakPolarHBondContact O-CZ 3.36Å; R338-F352 HydrophobicContact CB-CE2 4.35Å; L339-F352 HydrophobicContact CB-CD2 4.36Å; L339-F352 HydrophobicContact CB-CE1 4.37Å; L339-F352 HydrophobicContact CB-CE2 3.96Å; L339-F352 HydrophobicContact CB-CZ 3.96Å; L339-F352 HydrophobicContact CD1-CB 4.44Å; L339-F352 HydrophobicContact CD1-CD1 4.1Å; L339-F352 HydrophobicContact CD1-CD2 4.39Å; L339-F352 HydrophobicContact CD1-CE1 4.47Å; L339-F352 HydrophobicContact CD1-CG 4.06Å; L339-F352 HydrophobicContact CD2-CE1 4.24Å; L342-F352 HydrophobicContact CD1-CB 4.34Å; L342-F352 HydrophobicContact CD1-CD2 3.99Å; Y348-F352 WeakPolarHBondContact O-CB 3.31Å; Y348-F352 PolarHBondContact O-N 3.08Å; V349-F352 PolarHBondContact O-N 2.59Å; K350-F352 VanDerWaalsContact C-N 3.28Å; K350-F352 PolarHBondContact O-N 3.15Å; F352-A355 PolarHBondContact O-N 2.78Å; F352-L356 HydrophobicContact CE1-CD2 4.46Å; F352-L356 WeakPolarHBondContact O-CB 3.46Å; F352-L356 PolarHBondContact O-N 3.1Å; F352-L413 HydrophobicContact CD1-CD1 3.85Å; F352-L413 HydrophobicContact CE1-CD1 4Å; F352-Y416 HydrophobicContact CE1-CD2 4.11Å; F352-Y416 HydrophobicContact CZ-CD2 4.16Å
353S89.5Confident87.6Confident28 Ų2876.1 Ų76.120%0.19639%0.385CS..Hα-helixtrans-61.5-43.9176.2-169.30000112V349 K350 A355 L356 T357V349-S353 WeakPolarHBondContact O-CB 3.49Å; V349-S353 PolarHBondContact O-N 3.49Å; K350-S353 WeakPolarHBondContact O-CA 3.38Å; K350-S353 WeakPolarHBondContact O-CB 3.37Å; K350-S353 PolarHBondContact O-N 3.46Å; S353-A355 VanDerWaalsContact C-N 3.33Å; S353-A355 PolarHBondContact O-N 3.34Å; S353-L356 WeakPolarHBondContact O-CB 3.37Å; S353-L356 PolarHBondContact O-N 3.43Å; S353-T357 WeakPolarHBondContact O-CB 3.49Å; S353-T357 PolarHBondContact O-N 2.93Å; S353-T357 PolarHBondContact O-OG1 3.17Å
354D90.3Very high87.3Confident94 Ų9474.4 Ų74.450%0.50337%0.371SS..Hα-helixtrans-62.7-42.1176.9-64.9-20.2000110.9K350 L356 T357 K358K350-D354 VanDerWaalsContact O-CG 3.3Å; K350-D354 PolarHBondContact O-N 3.03Å; D354-L356 VanDerWaalsContact C-N 3.35Å; D354-T357 PolarHBondContact O-N 2.95Å; D354-K358 WeakPolarHBondContact O-CB 3.42Å; D354-K358 PolarHBondContact O-N 3.06Å
355A88.4Confident87.1Confident28 Ų2873.2 Ų73.223%0.23137%0.371CS..Hα-helixtrans-65.2-38.1175.400000112.1S351 F352 S353 R359S351-A355 WeakPolarHBondContact O-CB 3.27Å; S351-A355 PolarHBondContact O-N 3.45Å; S351-A355 VanDerWaalsContact O-N 3.1Å; F352-A355 PolarHBondContact O-N 2.78Å; S353-A355 VanDerWaalsContact C-N 3.33Å; S353-A355 PolarHBondContact O-N 3.34Å; A355-R359 VanDerWaalsContact O-CG 3.31Å; A355-R359 WeakPolarHBondContact O-CG 3.31Å; A355-R359 PolarHBondContact O-N 2.76Å; A355-R359 PolarHBondContact O-NH1 3.31Å
356L90.2Very high86.6Confident4 Ų479 Ų792%0.02139%0.386CS..Hα-helixtrans-65-47.5174.8-17463.4000111.2E335 F352 S353 D354 K358 R359 A360 V409 L412 L413 Y416E335-L356 VanDerWaalsContact OE2-CD1 3.27Å; E335-L356 WeakPolarHBondContact OE2-CD1 3.23Å; F352-L356 HydrophobicContact CE1-CD2 4.46Å; F352-L356 WeakPolarHBondContact O-CB 3.46Å; F352-L356 PolarHBondContact O-N 3.1Å; S353-L356 WeakPolarHBondContact O-CB 3.37Å; S353-L356 PolarHBondContact O-N 3.43Å; D354-L356 VanDerWaalsContact C-N 3.35Å; L356-K358 PolarHBondContact O-N 3.48Å; L356-R359 WeakPolarHBondContact O-CB 3.48Å; L356-R359 PolarHBondContact O-N 2.92Å; L356-R359 VanDerWaalsContact O-N 3.08Å; L356-A360 PolarHBondContact O-N 3.46Å; L356-V409 HydrophobicContact CD2-CG1 4.07Å; L356-V409 HydrophobicContact CG-CG1 4.16Å; L356-L412 HydrophobicContact CD1-CD2 3.83Å; L356-L412 HydrophobicContact CD2-CB 4.47Å; L356-L412 HydrophobicContact CD2-CD2 4.18Å; L356-L412 HydrophobicContact CD2-CG 4.23Å; L356-L412 HydrophobicContact CG-CD2 4.33Å; L356-L413 HydrophobicContact CD2-CB 4.18Å; L356-Y416 HydrophobicContact CD1-CE2 4.29Å
357T90.8Very high85.7Confident50 Ų5075.5 Ų75.531%0.30737%0.369SS..Hα-helixtrans-55.7-49.9176.6-54.80000111S353 D354 R359 A360 T361S353-T357 WeakPolarHBondContact O-CB 3.49Å; S353-T357 PolarHBondContact O-N 2.93Å; S353-T357 PolarHBondContact O-OG1 3.17Å; D354-T357 PolarHBondContact O-N 2.95Å; T357-R359 PolarHBondContact O-N 3.02Å; T357-A360 PolarHBondContact O-N 3.02Å; T357-T361 WeakPolarHBondContact O-CB 3.43Å; T357-T361 PolarHBondContact O-N 3.26Å; T357-T361 PolarHBondContact O-OG1 2.89Å
358K89.5Confident84.6Confident161 Ų16172 Ų7270%0.735%0.349SS*.Hα-helixtrans-57.6-37177.8-176.5174.1-176.9170.40112.5D354 L356 A362D354-K358 WeakPolarHBondContact O-CB 3.42Å; D354-K358 PolarHBondContact O-N 3.06Å; L356-K358 PolarHBondContact O-N 3.48Å; K358-A362 WeakPolarHBondContact O-CB 3.4Å; K358-A362 PolarHBondContact O-N 2.97Å; K358-A362 VanDerWaalsContact O-N 3.15Å
359R85.9Confident83.2Confident53 Ų5371.6 Ų71.620%0.236%0.361CS..Hα-helixtrans-75.9-43.6179.1-71.3-172.4-54.8-95.60.9112.7E308 R331 E335 A355 L356 T357 T361 A362 Y363E308-R359 IonicContact OE1-NH1 3.37Å; E308-R359 PolarHBondContact OE1-NH1 3.02Å; R331-R359 VanDerWaalsContact NH2-NE 3.11Å; E335-R359 IonicContact OE1-CZ 3.23Å; E335-R359 IonicContact OE1-NE 2.97Å; E335-R359 PolarHBondContact OE1-NE 2.98Å; E335-R359 IonicContact OE1-NH2 2.87Å; E335-R359 PolarHBondContact OE1-NH2 2.93Å; E335-R359 VanDerWaalsContact OE1-NH2 3.1Å; E335-R359 IonicContact OE2-CZ 3.3Å; E335-R359 IonicContact OE2-NE 3.17Å; E335-R359 IonicContact OE2-NH2 3.77Å; E335-R359 PolarHBondContact OE2-NH2 2.64Å; A355-R359 VanDerWaalsContact O-CG 3.31Å; A355-R359 WeakPolarHBondContact O-CG 3.31Å; A355-R359 PolarHBondContact O-N 2.76Å; A355-R359 PolarHBondContact O-NH1 3.31Å; L356-R359 WeakPolarHBondContact O-CB 3.48Å; L356-R359 PolarHBondContact O-N 2.92Å; L356-R359 VanDerWaalsContact O-N 3.08Å; T357-R359 PolarHBondContact O-N 3.02Å; R359-T361 VanDerWaalsContact C-N 3.31Å; R359-A362 PolarHBondContact O-N 2.8Å; R359-Y363 PolarHBondContact O-N 3.24Å
360A86.4Confident81.6Confident18 Ų1875.3 Ų75.315%0.14938%0.379CS..Hα-helixtrans-57.7-49.6174.100000109.3L356 T357 A362 Y363 F364 L405 V409L356-A360 PolarHBondContact O-N 3.46Å; T357-A360 PolarHBondContact O-N 3.02Å; A360-A362 VanDerWaalsContact C-N 3.31Å; A360-A362 PolarHBondContact O-N 2.79Å; A360-Y363 WeakPolarHBondContact O-CA 3.25Å; A360-Y363 WeakPolarHBondContact O-CB 3.39Å; A360-Y363 PolarHBondContact O-N 2.81Å; A360-F364 HydrophobicContact CB-CD2 4.5Å; A360-F364 WeakPolarHBondContact O-CB 3.34Å; A360-F364 VanDerWaalsContact O-CD2 3.28Å; A360-F364 WeakPolarHBondContact O-CD2 3.2Å; A360-F364 PolarHBondContact O-N 2.72Å; A360-L405 HydrophobicContact CB-CD1 3.56Å; A360-V409 HydrophobicContact CB-CG2 3.5Å; A360-V409 VanDerWaalsContact CB-CG2 3.5Å
361T87.5Confident79.7Confident36 Ų3671.3 Ų71.322%0.22137%0.372CS..Hα-helixtrans-50.4-49.3174.1-49.50000111.8T357 R359 Y363 F364 Q365 L405T357-T361 WeakPolarHBondContact O-CB 3.43Å; T357-T361 PolarHBondContact O-N 3.26Å; T357-T361 PolarHBondContact O-OG1 2.89Å; R359-T361 VanDerWaalsContact C-N 3.31Å; T361-Y363 VanDerWaalsContact C-N 3.31Å; T361-Y363 PolarHBondContact O-N 2.94Å; T361-F364 PolarHBondContact O-N 2.95Å; T361-Q365 HydrophobicContact CG2-CG 4.36Å; T361-Q365 WeakPolarHBondContact O-CB 3.2Å; T361-Q365 VanDerWaalsContact O-CG 3.26Å; T361-Q365 WeakPolarHBondContact O-CG 3.46Å; T361-Q365 PolarHBondContact O-N 2.77Å; T361-L405 HydrophobicContact CG2-CD2 4.35Å; T361-L405 WeakPolarHBondContact OG1-CD2 3.38Å
362A85.8Confident77.3Confident38 Ų3875.3 Ų75.331%0.31439%0.385SS..Hα-helixtrans-67.1-28.3-179.500000113.9K358 R359 A360 R366K358-A362 WeakPolarHBondContact O-CB 3.4Å; K358-A362 PolarHBondContact O-N 2.97Å; K358-A362 VanDerWaalsContact O-N 3.15Å; R359-A362 PolarHBondContact O-N 2.8Å; A360-A362 VanDerWaalsContact C-N 3.31Å; A360-A362 PolarHBondContact O-N 2.79Å; A362-R366 WeakPolarHBondContact O-CD 3.5Å; A362-R366 WeakPolarHBondContact O-CG 3.31Å
363Y82.2Confident74.9Confident150 Ų15084.1 Ų84.159%0.58842%0.418SS*.Hα-helixtrans-72.4-51.2172175.8-100000110.4R359 A360 T361 Q365 R366 V367R359-Y363 PolarHBondContact O-N 3.24Å; A360-Y363 WeakPolarHBondContact O-CA 3.25Å; A360-Y363 WeakPolarHBondContact O-CB 3.39Å; A360-Y363 PolarHBondContact O-N 2.81Å; T361-Y363 VanDerWaalsContact C-N 3.31Å; T361-Y363 PolarHBondContact O-N 2.94Å; Y363-Q365 VanDerWaalsContact C-N 3.34Å; Y363-Q365 PolarHBondContact O-N 3.22Å; Y363-R366 WeakPolarHBondContact O-CB 3.27Å; Y363-R366 PolarHBondContact O-N 3.14Å; Y363-V367 HydrophobicContact CD1-CG2 4.3Å; Y363-V367 HydrophobicContact CE1-CG2 3.88Å; Y363-V367 HydrophobicContact CE2-CG2 4.1Å; Y363-V367 WeakPolarHBondContact O-CG2 3.24Å; Y363-V367 PolarHBondContact O-N 3Å
364F78.9Confident72.1Confident31 Ų3185.6 Ų85.614%0.13644%0.437CS..Hα-helixtrans-57.1-43.3179-92.2-79.1000113.5A360 T361 R366 V367 R368 F401 L405 E408A360-F364 HydrophobicContact CB-CD2 4.5Å; A360-F364 WeakPolarHBondContact O-CB 3.34Å; A360-F364 VanDerWaalsContact O-CD2 3.28Å; A360-F364 WeakPolarHBondContact O-CD2 3.2Å; A360-F364 PolarHBondContact O-N 2.72Å; T361-F364 PolarHBondContact O-N 2.95Å; F364-R366 PolarHBondContact O-N 3.01Å; F364-V367 PolarHBondContact O-N 3.4Å; F364-V367 VanDerWaalsContact O-N 3.09Å; F364-R368 PolarHBondContact O-N 3.26Å; F364-F401 HydrophobicContact CB-CE2 3.99Å; F364-F401 HydrophobicContact CB-CZ 3.6Å; F364-F401 AromaticContact CD1-CE2 3.75Å; F364-F401 HydrophobicContact CD1-CE2 3.75Å; F364-F401 HydrophobicContact CD1-CZ 4.2Å; F364-F401 HydrophobicContact CG-CE2 4.27Å; F364-F401 HydrophobicContact CG-CZ 4.26Å; F364-L405 HydrophobicContact CD2-CD1 3.38Å; F364-L405 HydrophobicContact CE2-CD1 3.7Å; F364-L405 HydrophobicContact CG-CD1 4.16Å; F364-E408 WeakPolarHBondContact CE2-OE2 3.29Å; F364-E408 HydrophobicContact CZ-CG 4.46Å; F364-E408 WeakPolarHBondContact CZ-OE1 3.31Å; F364-E408 WeakPolarHBondContact CZ-OE2 3.31Å
365Q77.8Confident69.4Low118 Ų11886.3 Ų86.355%0.55145%0.45SS*.Hα-helixtrans-59.7-27.8174.9-76174.5-10.900113.3T361 Y363T361-Q365 HydrophobicContact CG2-CG 4.36Å; T361-Q365 WeakPolarHBondContact O-CB 3.2Å; T361-Q365 VanDerWaalsContact O-CG 3.26Å; T361-Q365 WeakPolarHBondContact O-CG 3.46Å; T361-Q365 PolarHBondContact O-N 2.77Å; Y363-Q365 VanDerWaalsContact C-N 3.34Å; Y363-Q365 PolarHBondContact O-N 3.22Å
366R76.4Confident66.7Low188 Ų18889.1 Ų89.171%0.70947%0.468SS*.Hα-helixtrans-82.8-26.2176.7-68.3172.1-1791730.9113.2A362 Y363 F364A362-R366 WeakPolarHBondContact O-CD 3.5Å; A362-R366 WeakPolarHBondContact O-CG 3.31Å; Y363-R366 WeakPolarHBondContact O-CB 3.27Å; Y363-R366 PolarHBondContact O-N 3.14Å; F364-R366 PolarHBondContact O-N 3.01Å
367V70.4Confident64Low72 Ų7296.9 Ų96.944%0.43651%0.508SS..Hα-helixtrans-90.2-14-178.2-177.40000111.6Y363 F364Y363-V367 HydrophobicContact CD1-CG2 4.3Å; Y363-V367 HydrophobicContact CE1-CG2 3.88Å; Y363-V367 HydrophobicContact CE2-CG2 4.1Å; Y363-V367 WeakPolarHBondContact O-CG2 3.24Å; Y363-V367 PolarHBondContact O-N 3Å; F364-V367 PolarHBondContact O-N 3.4Å; F364-V367 VanDerWaalsContact O-N 3.09Å
368R66.6Low61.4Low82 Ų8299.5 Ų99.531%0.30952%0.524SS..SBendtrans-46.2130.5173.8-94.6-166.7173.7-167.7-2.7110.5F364 D370 A371 D398 F401F364-R368 PolarHBondContact O-N 3.26Å; R368-D370 PolarHBondContact O-N 3.23Å; R368-A371 HydrophobicContact CB-CB 4.5Å; R368-A371 WeakPolarHBondContact O-CA 3.39Å; R368-A371 WeakPolarHBondContact O-CB 3.39Å; R368-A371 PolarHBondContact O-N 3.12Å; R368-D398 IonicContact CZ-OD1 2.9Å; R368-D398 IonicContact NH1-OD1 2.82Å; R368-D398 PolarHBondContact NH1-OD1 2.86Å; R368-D398 VanDerWaalsContact NH1-OD1 3.15Å; R368-D398 IonicContact NH2-OD1 3.37Å; R368-D398 PolarHBondContact NH2-OD1 3.23Å; R368-F401 HydrophobicContact CG-CE2 4.27Å
369P56Low58.7Low103 Ų10396.8 Ų96.867%0.66952%0.523SS*.Hα-helixtrans-51.7-31.8177.1-27.834.1000113.1A371 M372 R373P369-A371 VanDerWaalsContact C-N 3.34Å; P369-A371 PolarHBondContact O-N 3.34Å; P369-M372 WeakPolarHBondContact O-CB 3.25Å; P369-M372 PolarHBondContact O-N 3.35Å; P369-M372 VanDerWaalsContact O-N 3.16Å; P369-R373 PolarHBondContact O-N 3.47Å
370D54Low56.5Low108 Ų108104 Ų10458%0.57856%0.556SS**Hα-helixtrans-70.9-25.6176.7-66-32.9000113.9R368 M372 R373R368-D370 PolarHBondContact O-N 3.23Å; D370-M372 VanDerWaalsContact C-N 3.27Å; D370-M372 PolarHBondContact O-N 2.93Å; D370-R373 PolarHBondContact O-N 2.92Å
371A47.9Very low54.2Low56 Ų56108.9 Ų108.946%0.46358%0.584SS.*Hα-helixtrans-72.6-22.6171.700000112.1R368 P369R368-A371 HydrophobicContact CB-CB 4.5Å; R368-A371 WeakPolarHBondContact O-CA 3.39Å; R368-A371 WeakPolarHBondContact O-CB 3.39Å; R368-A371 PolarHBondContact O-N 3.12Å; P369-A371 VanDerWaalsContact C-N 3.34Å; P369-A371 PolarHBondContact O-N 3.34Å
372M39.2Very low52Low158 Ų158113.1 Ų113.178%0.77862%0.615SS**Hα-helixtrans-81-17.5170.9-70.4-163.3-179.500113.3P369 D370 G374P369-M372 WeakPolarHBondContact O-CB 3.25Å; P369-M372 PolarHBondContact O-N 3.35Å; P369-M372 VanDerWaalsContact O-N 3.16Å; D370-M372 VanDerWaalsContact C-N 3.27Å; D370-M372 PolarHBondContact O-N 2.93Å; M372-G374 PolarHBondContact O-N 3.5Å
373R38.7Very low50Low191 Ų191114.7 Ų114.772%0.72164%0.635SS**SBendtrans-74.771.2161.9-64.8-174-169.5-129.12.2108.3P369 D370 S375P369-R373 PolarHBondContact O-N 3.47Å; D370-R373 PolarHBondContact O-N 2.92Å; R373-S375 PolarHBondContact O-N 3.3Å
374G31.6Very low48.4Very low58 Ų58113 Ų11360%0.59865%0.645SS**THydrogen-bonded Turntrans-43.4121.8173.900000108.7M372 S376M372-G374 PolarHBondContact O-N 3.5Å; G374-S376 VanDerWaalsContact C-N 3.26Å; G374-S376 PolarHBondContact O-N 3.39Å
375S32.3Very low47.2Very low109 Ų109116.4 Ų116.476%0.76267%0.673SS**THydrogen-bonded Turntrans-7.881.7-175.3640000112.1R373 L377R373-S375 PolarHBondContact O-N 3.3Å; S375-L377 PolarHBondContact O-N 3.4Å
376S32.3Very low46.1Very low88 Ų88119.1 Ų119.162%0.61568%0.679SS**  trans-66.2117.5175.9-155.70000103.8G374 V378G374-S376 VanDerWaalsContact C-N 3.26Å; G374-S376 PolarHBondContact O-N 3.39Å; S376-V378 PolarHBondContact O-N 3.49Å
377L34Very low46Very low166 Ų166114 Ų11487%0.86967%0.666SS**  trans-63.936.7176.2-73.9160.8000111.5S375 P379S375-L377 PolarHBondContact O-N 3.4Å; L377-P379 VanDerWaalsContact O-CD 3.22Å; L377-P379 WeakPolarHBondContact O-CD 3.31Å
378V35.7Very low46.5Very low105 Ų105114.5 Ų114.564%0.63667%0.671SS**  trans-82.8106.7163.3-173.70000104.9S376 K380S376-V378 PolarHBondContact O-N 3.49Å; V378-K380 PolarHBondContact O-N 2.92Å
379P33.4Very low47Very low104 Ų104117.3 Ų117.368%0.67569%0.691SS**  trans-53.8131.9169.1-13.328.2000106L377 T381L377-P379 VanDerWaalsContact O-CD 3.22Å; L377-P379 WeakPolarHBondContact O-CD 3.31Å; P379-T381 VanDerWaalsContact C-N 3.3Å; P379-T381 PolarHBondContact O-N 3.17Å
380K40.4Very low48Very low204 Ų204118.6 Ų118.689%0.88769%0.686SS**  trans-48.8105.3165.9-74.4-179175.9179.60106.2V378 S382V378-K380 PolarHBondContact O-N 2.92Å; K380-S382 VanDerWaalsContact C-N 3.26Å; K380-S382 PolarHBondContact O-N 3.22Å
381T36.7Very low49.2Very low121 Ų121118 Ų11874%0.74268%0.678SS**  trans-64.3100.216938.40000105P379 G383P379-T381 VanDerWaalsContact C-N 3.3Å; P379-T381 PolarHBondContact O-N 3.17Å; T381-G383 PolarHBondContact O-N 2.92Å
382S41Very low50.7Low126 Ų126117.9 Ų117.988%0.88168%0.677SS**SBendtrans-61.9104.2170.844.40000107.3K380K380-S382 VanDerWaalsContact C-N 3.26Å; K380-S382 PolarHBondContact O-N 3.22Å
383G44.9Very low52.6Low70 Ų70117.4 Ų117.472%0.72267%0.671SS**  trans117.184.8172.500000113.5T381T381-G383 PolarHBondContact O-N 2.92Å
384S47.9Very low54.4Low114 Ų114112 Ų11280%0.79766%0.656SS**SBendtrans-165.5106.2147-173.90000110
385S53.3Low56.9Low104 Ų104113.5 Ų113.573%0.72765%0.647SS**  trans49.5109.9163.2-150.20000118.3N387S385-N387 PolarHBondContact O-N 2.83Å
386Y56.1Low59.2Low175 Ų175110.9 Ų110.969%0.68663%0.632SS**  trans-53.3108.1157.7-171.8-94.2000107.7P388 K391Y386-P388 HydrophobicContact CD1-CG 4.03Å; Y386-P388 HydrophobicContact CE1-CG 4.09Å; Y386-P388 WeakPolarHBondContact O-CD 3.48Å; Y386-K391 HydrophobicContact CE2-CD 4.43Å; Y386-K391 WeakPolarHBondContact OH-CD 3.34Å
387N74Confident61.4Low81 Ų81108.8 Ų108.843%0.43362%0.62SS.*  trans-102.5101.4176.2-173.5-10.7000108.1S385 L389 K390 K391S385-N387 PolarHBondContact O-N 2.83Å; N387-L389 PolarHBondContact O-N 3.4Å; N387-L389 WeakPolarHBondContact OD1-CB 3.27Å; N387-L389 PolarHBondContact OD1-N 2.99Å; N387-K390 HydrophobicContact CB-CB 4Å; N387-K390 PolarHBondContact O-N 2.86Å; N387-K391 PolarHBondContact O-N 3.06Å
388P79.6Confident63.7Low82 Ų82104.2 Ų104.253%0.53260%0.597SS.*Hα-helixtrans-55.9-33.7-179.6-23.533000112.7Y386 K391 A392Y386-P388 HydrophobicContact CD1-CG 4.03Å; Y386-P388 HydrophobicContact CE1-CG 4.09Å; Y386-P388 WeakPolarHBondContact O-CD 3.48Å; P388-K391 PolarHBondContact O-N 2.78Å; P388-A392 WeakPolarHBondContact O-CB 3.48Å; P388-A392 PolarHBondContact O-N 2.94Å
389L77.1Confident66Low140 Ų140105.9 Ų105.973%0.73360%0.598SS**Hα-helixtrans-66.5-38.2178-66.5170.5000111.8N387 F393N387-L389 PolarHBondContact O-N 3.4Å; N387-L389 WeakPolarHBondContact OD1-CB 3.27Å; N387-L389 PolarHBondContact OD1-N 2.99Å; L389-F393 WeakPolarHBondContact O-CB 3.29Å; L389-F393 PolarHBondContact O-N 2.82Å
390K77.4Confident68.4Low131 Ų131108 Ų10857%0.5759%0.593SS**Hα-helixtrans-66.4-43.9176.2-174.7177.4177.3-1790111N387 F393 D394N387-K390 HydrophobicContact CB-CB 4Å; N387-K390 PolarHBondContact O-N 2.86Å; K390-F393 PolarHBondContact O-N 2.87Å; K390-D394 WeakPolarHBondContact O-CB 3.42Å; K390-D394 PolarHBondContact O-N 2.91Å
391K80Confident70.4Confident96 Ų9699.8 Ų99.842%0.41756%0.558SS.*Hα-helixtrans-60.8-46.4176.6-167.5-178.5-174.3-96.70111.6Y386 N387 P388 F393 D394 E395Y386-K391 HydrophobicContact CE2-CD 4.43Å; Y386-K391 WeakPolarHBondContact OH-CD 3.34Å; N387-K391 PolarHBondContact O-N 3.06Å; P388-K391 PolarHBondContact O-N 2.78Å; K391-F393 VanDerWaalsContact C-N 3.33Å; K391-F393 PolarHBondContact O-N 2.89Å; K391-D394 PolarHBondContact O-N 2.67Å; K391-E395 VanDerWaalsContact CE-OE1 3.32Å; K391-E395 WeakPolarHBondContact CE-OE1 3.34Å; K391-E395 IonicContact NZ-OE1 2.64Å; K391-E395 PolarHBondContact NZ-OE1 2.94Å; K391-E395 WeakPolarHBondContact O-CB 3.18Å; K391-E395 VanDerWaalsContact O-CG 3.28Å; K391-E395 WeakPolarHBondContact O-CG 3.46Å; K391-E395 PolarHBondContact O-N 2.96Å
392A80.2Confident72.7Confident52 Ų52100.4 Ų100.443%0.4355%0.552SS.*Hα-helixtrans-63.8-37177.400000112.5P388 A396P388-A392 WeakPolarHBondContact O-CB 3.48Å; P388-A392 PolarHBondContact O-N 2.94Å; A392-A396 VanDerWaalsContact O-CB 3.31Å; A392-A396 WeakPolarHBondContact O-CB 3.43Å; A392-A396 PolarHBondContact O-N 2.82Å
393F78.2Confident74.9Confident149 Ų14998 Ų9865%0.65454%0.535SS*.Hα-helixtrans-67.4-44.9174.9-173.7-89.6000112L389 K390 K391 A396 A397L389-F393 WeakPolarHBondContact O-CB 3.29Å; L389-F393 PolarHBondContact O-N 2.82Å; K390-F393 PolarHBondContact O-N 2.87Å; K391-F393 VanDerWaalsContact C-N 3.33Å; K391-F393 PolarHBondContact O-N 2.89Å; F393-A396 PolarHBondContact O-N 2.82Å; F393-A397 VanDerWaalsContact O-CB 3.28Å; F393-A397 WeakPolarHBondContact O-CB 3.42Å; F393-A397 PolarHBondContact O-N 2.79Å
394D77.3Confident76.9Confident76 Ų7698 Ų9841%0.40652%0.517SS..Hα-helixtrans-63.1-42.4177-66.9-19.7000110.6K390 K391 A397 D398K390-D394 WeakPolarHBondContact O-CB 3.42Å; K390-D394 PolarHBondContact O-N 2.91Å; K391-D394 PolarHBondContact O-N 2.67Å; D394-A397 PolarHBondContact O-N 2.87Å; D394-D398 WeakPolarHBondContact O-CB 3.33Å; D394-D398 PolarHBondContact O-N 2.9Å
395E82.1Confident78.8Confident90 Ų9093.2 Ų93.242%0.42148%0.482SS..Hα-helixtrans-62.6-47.1174.8-74.9169.1178.600112K391 A397 D398 E399K391-E395 VanDerWaalsContact CE-OE1 3.32Å; K391-E395 WeakPolarHBondContact CE-OE1 3.34Å; K391-E395 IonicContact NZ-OE1 2.64Å; K391-E395 PolarHBondContact NZ-OE1 2.94Å; K391-E395 WeakPolarHBondContact O-CB 3.18Å; K391-E395 VanDerWaalsContact O-CG 3.28Å; K391-E395 WeakPolarHBondContact O-CG 3.46Å; K391-E395 PolarHBondContact O-N 2.96Å; E395-A397 VanDerWaalsContact C-N 3.32Å; E395-A397 PolarHBondContact O-N 2.8Å; E395-D398 PolarHBondContact O-N 2.88Å; E395-E399 WeakPolarHBondContact O-CG 3.41Å; E395-E399 PolarHBondContact O-N 3.42Å
396A81.9Confident80.5Confident54 Ų5494.8 Ų94.845%0.44648%0.478SS..Hα-helixtrans-64.6-35.8176.800000112.6A392 F393 Y400A392-A396 VanDerWaalsContact O-CB 3.31Å; A392-A396 WeakPolarHBondContact O-CB 3.43Å; A392-A396 PolarHBondContact O-N 2.82Å; F393-A396 PolarHBondContact O-N 2.82Å; A396-Y400 WeakPolarHBondContact O-CB 3.41Å; A396-Y400 PolarHBondContact O-N 3.2Å
397A78.5Confident82.1Confident44 Ų4492.6 Ų92.636%0.36447%0.474SS..Hα-helixtrans-68-39174.700000111.9F393 D394 E395 F401F393-A397 VanDerWaalsContact O-CB 3.28Å; F393-A397 WeakPolarHBondContact O-CB 3.42Å; F393-A397 PolarHBondContact O-N 2.79Å; D394-A397 PolarHBondContact O-N 2.87Å; E395-A397 VanDerWaalsContact C-N 3.32Å; E395-A397 PolarHBondContact O-N 2.8Å; A397-F401 WeakPolarHBondContact O-CB 3.43Å; A397-F401 PolarHBondContact O-N 3.16Å
398D81.6Confident82.9Confident71 Ų7193.8 Ų93.838%0.3848%0.477SS..Hα-helixtrans-67.2-45.3174.5-76.6-21.3000111.4R368 D394 E395 F401 E402R368-D398 IonicContact CZ-OD1 2.9Å; R368-D398 IonicContact NH1-OD1 2.82Å; R368-D398 PolarHBondContact NH1-OD1 2.86Å; R368-D398 VanDerWaalsContact NH1-OD1 3.15Å; R368-D398 IonicContact NH2-OD1 3.37Å; R368-D398 PolarHBondContact NH2-OD1 3.23Å; D394-D398 WeakPolarHBondContact O-CB 3.33Å; D394-D398 PolarHBondContact O-N 2.9Å; E395-D398 PolarHBondContact O-N 2.88Å; D398-F401 WeakPolarHBondContact O-CB 3.31Å; D398-F401 PolarHBondContact O-N 3.37Å; D398-E402 WeakPolarHBondContact O-CG 3.24Å; D398-E402 PolarHBondContact O-N 2.72Å
399E85Confident83.4Confident139 Ų13990.2 Ų90.265%0.6545%0.453SS*.Hα-helixtrans-61.8-46.1175.8-76.4-178.6-17800112.2E395 F401 E402 S403E395-E399 WeakPolarHBondContact O-CG 3.41Å; E395-E399 PolarHBondContact O-N 3.42Å; E399-F401 VanDerWaalsContact C-N 3.27Å; E399-F401 PolarHBondContact O-N 3.25Å; E399-E402 PolarHBondContact O-N 2.67Å; E399-S403 PolarHBondContact O-N 2.8Å
400Y82.6Confident84.1Confident148 Ų14886.7 Ų86.758%0.5844%0.44SS*.Hα-helixtrans-59.3-42.4175.6179.6-105000111.3A396 S403 Q404A396-Y400 WeakPolarHBondContact O-CB 3.41Å; A396-Y400 PolarHBondContact O-N 3.2Å; Y400-S403 PolarHBondContact O-N 2.74Å; Y400-Q404 HydrophobicContact CD1-CG 4.36Å; Y400-Q404 HydrophobicContact CE1-CG 3.99Å; Y400-Q404 HydrophobicContact CE2-CG 4.47Å; Y400-Q404 WeakPolarHBondContact O-CG 3.46Å; Y400-Q404 PolarHBondContact O-N 3.17Å; Y400-Q404 PolarHBondContact OH-NE2 3.12Å
401F82Confident84.9Confident33 Ų3383.8 Ų83.815%0.14543%0.434CS..Hα-helixtrans-65.2-42.2177.1174.1-91000112.6F364 R368 A397 D398 E399 S403 Q404 L405F364-F401 HydrophobicContact CB-CE2 3.99Å; F364-F401 HydrophobicContact CB-CZ 3.6Å; F364-F401 AromaticContact CD1-CE2 3.75Å; F364-F401 HydrophobicContact CD1-CE2 3.75Å; F364-F401 HydrophobicContact CD1-CZ 4.2Å; F364-F401 HydrophobicContact CG-CE2 4.27Å; F364-F401 HydrophobicContact CG-CZ 4.26Å; R368-F401 HydrophobicContact CG-CE2 4.27Å; A397-F401 WeakPolarHBondContact O-CB 3.43Å; A397-F401 PolarHBondContact O-N 3.16Å; D398-F401 WeakPolarHBondContact O-CB 3.31Å; D398-F401 PolarHBondContact O-N 3.37Å; E399-F401 VanDerWaalsContact C-N 3.27Å; E399-F401 PolarHBondContact O-N 3.25Å; F401-S403 VanDerWaalsContact C-N 3.33Å; F401-Q404 PolarHBondContact O-N 3.1Å; F401-L405 VanDerWaalsContact O-CB 3.29Å; F401-L405 WeakPolarHBondContact O-CB 3.45Å; F401-L405 PolarHBondContact O-N 2.72Å
402E85.5Confident85.5Confident133 Ų13381.1 Ų81.162%0.62142%0.424SS*.Hα-helixtrans-62.7-40.7174.2-74.7-172.117100111.6D398 E399 L405 H406D398-E402 WeakPolarHBondContact O-CG 3.24Å; D398-E402 PolarHBondContact O-N 2.72Å; E399-E402 PolarHBondContact O-N 2.67Å; E402-L405 PolarHBondContact O-N 3.4Å; E402-H406 WeakPolarHBondContact O-CB 3.34Å; E402-H406 PolarHBondContact O-N 2.97Å
403S87.6Confident86.1Confident76 Ų7679.6 Ų79.653%0.53141%0.408SS..Hα-helixtrans-62.4-47.7175.3-173.80000112E399 Y400 F401 L405 H406 E407E399-S403 PolarHBondContact O-N 2.8Å; Y400-S403 PolarHBondContact O-N 2.74Å; F401-S403 VanDerWaalsContact C-N 3.33Å; S403-L405 PolarHBondContact O-N 3.14Å; S403-H406 PolarHBondContact O-N 3.43Å; S403-E407 PolarHBondContact O-N 2.64Å
404Q87Confident86.8Confident70 Ų7078.8 Ų78.833%0.32740%0.404SS..Hα-helixtrans-60.5-45.6176.4-76.2-168.2-28.100111.8Y400 F401 H406 E407 E408Y400-Q404 HydrophobicContact CD1-CG 4.36Å; Y400-Q404 HydrophobicContact CE1-CG 3.99Å; Y400-Q404 HydrophobicContact CE2-CG 4.47Å; Y400-Q404 WeakPolarHBondContact O-CG 3.46Å; Y400-Q404 PolarHBondContact O-N 3.17Å; Y400-Q404 PolarHBondContact OH-NE2 3.12Å; F401-Q404 PolarHBondContact O-N 3.1Å; Q404-H406 VanDerWaalsContact C-N 3.31Å; Q404-H406 PolarHBondContact O-N 2.85Å; Q404-E407 PolarHBondContact O-N 3.09Å; Q404-E408 PolarHBondContact O-N 2.79Å
405L87.6Confident87.7Confident13 Ų1376.4 Ų76.47%0.06839%0.392CS..Hα-helixtrans-59-44.4177.4174.866.8000111.4A360 T361 F364 F401 E402 S403 E408 V409A360-L405 HydrophobicContact CB-CD1 3.56Å; T361-L405 HydrophobicContact CG2-CD2 4.35Å; T361-L405 WeakPolarHBondContact OG1-CD2 3.38Å; F364-L405 HydrophobicContact CD2-CD1 3.38Å; F364-L405 HydrophobicContact CE2-CD1 3.7Å; F364-L405 HydrophobicContact CG-CD1 4.16Å; F401-L405 VanDerWaalsContact O-CB 3.29Å; F401-L405 WeakPolarHBondContact O-CB 3.45Å; F401-L405 PolarHBondContact O-N 2.72Å; E402-L405 PolarHBondContact O-N 3.4Å; S403-L405 PolarHBondContact O-N 3.14Å; L405-E408 PolarHBondContact O-N 3.48Å; L405-V409 HydrophobicContact CD1-CG2 4.21Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.22Å; L405-V409 WeakPolarHBondContact O-CG2 3.4Å; L405-V409 PolarHBondContact O-N 3.44Å
406H89.1Confident88.3Confident138 Ų13872.4 Ų72.464%0.63937%0.373SS*.Hα-helixtrans-63.7-43.9178.2-178.8-85.6000111.7E402 S403 Q404 V409 S410E402-H406 WeakPolarHBondContact O-CB 3.34Å; E402-H406 PolarHBondContact O-N 2.97Å; S403-H406 PolarHBondContact O-N 3.43Å; Q404-H406 VanDerWaalsContact C-N 3.31Å; Q404-H406 PolarHBondContact O-N 2.85Å; H406-V409 PolarHBondContact O-N 3.47Å; H406-S410 VanDerWaalsContact O-CB 3.26Å; H406-S410 WeakPolarHBondContact O-CB 3.19Å; H406-S410 PolarHBondContact O-N 2.84Å
407E90.8Very high88.9Confident128 Ų12873.6 Ų73.660%0.59837%0.369SS*.Hα-helixtrans-62.1-44176.6-174.8175.5-175.800112.2S403 Q404 S410 T411S403-E407 PolarHBondContact O-N 2.64Å; Q404-E407 PolarHBondContact O-N 3.09Å; E407-S410 PolarHBondContact O-N 3.31Å; E407-T411 WeakPolarHBondContact O-CB 3.37Å; E407-T411 PolarHBondContact O-N 2.78Å; E407-T411 PolarHBondContact O-OG1 3.42Å
408E88.9Confident89.7Confident107 Ų10774.7 Ų74.750%0.537%0.369SS..Hα-helixtrans-64.2-45.4177.1-79.9-161.6-167.300112.6F364 Q404 L405 S410 T411 L412F364-E408 WeakPolarHBondContact CE2-OE2 3.29Å; F364-E408 HydrophobicContact CZ-CG 4.46Å; F364-E408 WeakPolarHBondContact CZ-OE1 3.31Å; F364-E408 WeakPolarHBondContact CZ-OE2 3.31Å; Q404-E408 PolarHBondContact O-N 2.79Å; L405-E408 PolarHBondContact O-N 3.48Å; E408-S410 VanDerWaalsContact C-N 3.33Å; E408-S410 PolarHBondContact O-N 2.84Å; E408-T411 PolarHBondContact O-N 2.88Å; E408-L412 WeakPolarHBondContact O-CB 3.46Å; E408-L412 PolarHBondContact O-N 2.85Å
409V91.3Very high90.4Very high6 Ų671.5 Ų71.54%0.03635%0.352CS..Hα-helixtrans-63.2-42.6177.9171.50000110.6L356 A360 L405 H406 L412 L413L356-V409 HydrophobicContact CD2-CG1 4.07Å; L356-V409 HydrophobicContact CG-CG1 4.16Å; A360-V409 HydrophobicContact CB-CG2 3.5Å; A360-V409 VanDerWaalsContact CB-CG2 3.5Å; L405-V409 HydrophobicContact CD1-CG2 4.21Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.22Å; L405-V409 WeakPolarHBondContact O-CG2 3.4Å; L405-V409 PolarHBondContact O-N 3.44Å; H406-V409 PolarHBondContact O-N 3.47Å; V409-L412 PolarHBondContact O-N 3.33Å; V409-L413 WeakPolarHBondContact O-CB 3.49Å; V409-L413 PolarHBondContact O-N 2.99Å
410S92.5Very high90.9Very high66 Ų6665.2 Ų65.246%0.46232%0.323SS..Hα-helixtrans-60.4-48.3176.5-177.60000111.6H406 E407 E408 L412 L413 K414H406-S410 VanDerWaalsContact O-CB 3.26Å; H406-S410 WeakPolarHBondContact O-CB 3.19Å; H406-S410 PolarHBondContact O-N 2.84Å; E407-S410 PolarHBondContact O-N 3.31Å; E408-S410 VanDerWaalsContact C-N 3.33Å; E408-S410 PolarHBondContact O-N 2.84Å; S410-L412 VanDerWaalsContact C-N 3.35Å; S410-L412 PolarHBondContact O-N 3.47Å; S410-L413 PolarHBondContact O-N 3.43Å; S410-K414 WeakPolarHBondContact O-CB 3.41Å; S410-K414 PolarHBondContact O-N 3.13Å
411T92.8Very high91.5Very high71 Ų7164.3 Ų64.344%0.43632%0.32SS..Hα-helixtrans-62.4-42.4177.1-62.30000111.6E407 E408 K414 N415E407-T411 WeakPolarHBondContact O-CB 3.37Å; E407-T411 PolarHBondContact O-N 2.78Å; E407-T411 PolarHBondContact O-OG1 3.42Å; E408-T411 PolarHBondContact O-N 2.88Å; T411-K414 PolarHBondContact O-N 3.28Å; T411-N415 PolarHBondContact O-N 2.94Å; T411-N415 PolarHBondContact O-ND2 3.33Å; T411-N415 VanDerWaalsContact O-ND2 3.08Å
412L92.6Very high92.1Very high39 Ų3967.6 Ų67.620%0.20433%0.334CS..Hα-helixtrans-64.6-45.5178.2-176.159.4000111.9R332 L356 E408 V409 S410 N415 Y416R332-L412 VanDerWaalsContact NH1-CD1 3.25Å; L356-L412 HydrophobicContact CD1-CD2 3.83Å; L356-L412 HydrophobicContact CD2-CB 4.47Å; L356-L412 HydrophobicContact CD2-CD2 4.18Å; L356-L412 HydrophobicContact CD2-CG 4.23Å; L356-L412 HydrophobicContact CG-CD2 4.33Å; E408-L412 WeakPolarHBondContact O-CB 3.46Å; E408-L412 PolarHBondContact O-N 2.85Å; V409-L412 PolarHBondContact O-N 3.33Å; S410-L412 VanDerWaalsContact C-N 3.35Å; S410-L412 PolarHBondContact O-N 3.47Å; L412-N415 PolarHBondContact O-N 2.99Å; L412-Y416 HydrophobicContact CD1-CD1 4.14Å; L412-Y416 HydrophobicContact CD1-CE1 3.47Å; L412-Y416 VanDerWaalsContact CD1-CE1 3.47Å; L412-Y416 HydrophobicContact CD1-CE2 4.24Å; L412-Y416 HydrophobicContact CD2-CE2 4.43Å; L412-Y416 HydrophobicContact CG-CE1 4.14Å; L412-Y416 HydrophobicContact CG-CE2 4.03Å; L412-Y416 WeakPolarHBondContact O-CD1 3.38Å; L412-Y416 PolarHBondContact O-N 2.69Å
413L93Very high92.6Very high21 Ų2161.3 Ų61.311%0.1130%0.304CS..Hα-helixtrans-61.1-45.3177.2-178.961000111.1L339 F352 L356 V409 S410 N415 Y416 Q417L339-L413 HydrophobicContact CD2-CD1 4.36Å; F352-L413 HydrophobicContact CD1-CD1 3.85Å; F352-L413 HydrophobicContact CE1-CD1 4Å; L356-L413 HydrophobicContact CD2-CB 4.18Å; V409-L413 WeakPolarHBondContact O-CB 3.49Å; V409-L413 PolarHBondContact O-N 2.99Å; S410-L413 PolarHBondContact O-N 3.43Å; L413-N415 PolarHBondContact O-N 3.05Å; L413-Y416 WeakPolarHBondContact O-CB 3.43Å; L413-Y416 PolarHBondContact O-N 3.09Å; L413-Y416 VanDerWaalsContact O-N 3.17Å; L413-Q417 HydrophobicContact CD1-CG 4.47Å; L413-Q417 WeakPolarHBondContact O-CG 3.34Å; L413-Q417 PolarHBondContact O-N 3.36Å
414K94.1Very high92.9Very high131 Ų13159.2 Ų59.257%0.5729%0.287SS*.Hα-helixtrans-57-48.6175.2-177.6179.5178.6-178.80111.5S410 T411 Y416 Q417 D418S410-K414 WeakPolarHBondContact O-CB 3.41Å; S410-K414 PolarHBondContact O-N 3.13Å; T411-K414 PolarHBondContact O-N 3.28Å; K414-Y416 VanDerWaalsContact C-N 3.29Å; K414-Y416 PolarHBondContact O-N 2.75Å; K414-Q417 PolarHBondContact O-N 3.48Å; K414-D418 PolarHBondContact O-N 2.99Å
415N95.1Very high93.2Very high27 Ų2763.4 Ų63.414%0.14430%0.3CS..Hα-helixtrans-61-37.2177.3-74.8-40.3000112.6R275 T411 L412 L413 T419R275-N415 PolarHBondContact NH1-OD1 3.46Å; T411-N415 PolarHBondContact O-N 2.94Å; T411-N415 PolarHBondContact O-ND2 3.33Å; T411-N415 VanDerWaalsContact O-ND2 3.08Å; L412-N415 PolarHBondContact O-N 2.99Å; L413-N415 PolarHBondContact O-N 3.05Å; N415-T419 PolarHBondContact O-N 2.84Å; N415-T419 VanDerWaalsContact O-N 3.11Å; N415-T419 PolarHBondContact O-OG1 3.3Å
416Y95.7Very high93.3Very high5 Ų564.1 Ų64.12%0.0230%0.303CS..Hα-helixtrans-66.5-45.2175-70.8-3.4000111.6E335 I336 F352 L356 L412 L413 K414 D418 T419 V420E335-Y416 HydrophobicContact CB-CE2 3.87Å; I336-Y416 HydrophobicContact CD1-CD1 3.74Å; I336-Y416 HydrophobicContact CD1-CE1 3.84Å; I336-Y416 HydrophobicContact CG1-CD1 3.37Å; I336-Y416 HydrophobicContact CG1-CD2 4.23Å; I336-Y416 HydrophobicContact CG1-CE1 3.69Å; I336-Y416 HydrophobicContact CG1-CG 3.66Å; F352-Y416 HydrophobicContact CE1-CD2 4.11Å; F352-Y416 HydrophobicContact CZ-CD2 4.16Å; L356-Y416 HydrophobicContact CD1-CE2 4.29Å; L412-Y416 HydrophobicContact CD1-CD1 4.14Å; L412-Y416 HydrophobicContact CD1-CE1 3.47Å; L412-Y416 VanDerWaalsContact CD1-CE1 3.47Å; L412-Y416 HydrophobicContact CD1-CE2 4.24Å; L412-Y416 HydrophobicContact CD2-CE2 4.43Å; L412-Y416 HydrophobicContact CG-CE1 4.14Å; L412-Y416 HydrophobicContact CG-CE2 4.03Å; L412-Y416 WeakPolarHBondContact O-CD1 3.38Å; L412-Y416 PolarHBondContact O-N 2.69Å; L413-Y416 WeakPolarHBondContact O-CB 3.43Å; L413-Y416 PolarHBondContact O-N 3.09Å; L413-Y416 VanDerWaalsContact O-N 3.17Å; K414-Y416 VanDerWaalsContact C-N 3.29Å; K414-Y416 PolarHBondContact O-N 2.75Å; Y416-D418 PolarHBondContact O-N 2.82Å; Y416-T419 WeakPolarHBondContact O-CB 3.49Å; Y416-T419 PolarHBondContact O-N 2.89Å; Y416-V420 WeakPolarHBondContact O-CG2 3.31Å; Y416-V420 PolarHBondContact O-N 3.27Å
417Q94.3Very high93.3Very high80 Ų8059.2 Ų59.237%0.37428%0.282SS..Hα-helixtrans-61.2-43176.6-71.6174.7-36.900112.2L339 L413 K414 T419 V420 Y421L339-Q417 HydrophobicContact CD2-CG 3.99Å; L413-Q417 HydrophobicContact CD1-CG 4.47Å; L413-Q417 WeakPolarHBondContact O-CG 3.34Å; L413-Q417 PolarHBondContact O-N 3.36Å; K414-Q417 PolarHBondContact O-N 3.48Å; Q417-T419 VanDerWaalsContact C-N 3.26Å; Q417-T419 PolarHBondContact O-N 3.05Å; Q417-V420 WeakPolarHBondContact O-CB 3.42Å; Q417-V420 PolarHBondContact O-N 3.43Å; Q417-Y421 PolarHBondContact O-N 3.23Å
418D95.2Very high93.1Very high67 Ų6756.2 Ų56.236%0.35828%0.276SS..Hα-helixtrans-60.1-39.2175-73.7-19.4000111.7K414 Y416 K422K414-D418 PolarHBondContact O-N 2.99Å; Y416-D418 PolarHBondContact O-N 2.82Å; D418-K422 WeakPolarHBondContact O-CG 3.44Å; D418-K422 PolarHBondContact O-N 3.18Å
419T96.5Very high92.9Very high4 Ų453.4 Ų53.43%0.02527%0.268CS..Hα-helixtrans-66.7-45.4175.9-56.40000110.9L279 I336 N415 Y416 Q417 Y421 K422 L423L279-T419 HydrophobicContact CB-CG2 4.21Å; L279-T419 HydrophobicContact CD1-CG2 4.17Å; I336-T419 HydrophobicContact CD1-CG2 4.37Å; I336-T419 HydrophobicContact CG2-CG2 3.8Å; N415-T419 PolarHBondContact O-N 2.84Å; N415-T419 VanDerWaalsContact O-N 3.11Å; N415-T419 PolarHBondContact O-OG1 3.3Å; Y416-T419 WeakPolarHBondContact O-CB 3.49Å; Y416-T419 PolarHBondContact O-N 2.89Å; Q417-T419 VanDerWaalsContact C-N 3.26Å; Q417-T419 PolarHBondContact O-N 3.05Å; T419-Y421 VanDerWaalsContact C-N 3.34Å; T419-Y421 PolarHBondContact O-N 3.22Å; T419-K422 WeakPolarHBondContact O-CB 3.26Å; T419-K422 PolarHBondContact O-N 2.9Å; T419-K422 VanDerWaalsContact O-N 3.16Å; T419-L423 HydrophobicContact CG2-CD1 4.36Å; T419-L423 WeakPolarHBondContact O-CG 3.17Å; T419-L423 PolarHBondContact O-N 3.49Å
420V95.7Very high92.2Very high6 Ų656.3 Ų56.34%0.03628%0.283CS..Hα-helixtrans-56.1-46.8175.7165.70000111.4I336 L339 F340 Y416 Q417 K422 L423 D424I336-V420 HydrophobicContact CG2-CG2 4.22Å; L339-V420 HydrophobicContact CB-CG2 4.21Å; L339-V420 HydrophobicContact CD2-CG2 4.1Å; L339-V420 HydrophobicContact CG-CG2 4.06Å; F340-V420 HydrophobicContact CB-CG2 4.05Å; F340-V420 HydrophobicContact CD2-CG1 4.17Å; Y416-V420 WeakPolarHBondContact O-CG2 3.31Å; Y416-V420 PolarHBondContact O-N 3.27Å; Q417-V420 WeakPolarHBondContact O-CB 3.42Å; Q417-V420 PolarHBondContact O-N 3.43Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.47Å; V420-L423 WeakPolarHBondContact O-CA 3.47Å; V420-L423 WeakPolarHBondContact O-CB 3.13Å; V420-L423 PolarHBondContact O-N 3.41Å; V420-D424 PolarHBondContact O-N 2.76Å
421Y94.8Very high91.5Very high129 Ų12960.3 Ų60.351%0.50629%0.292SS..Hα-helixtrans-61.5-37.7178.3-178.5-104.1000112.6Q417 T419 L423 D424 R425Q417-Y421 PolarHBondContact O-N 3.23Å; T419-Y421 VanDerWaalsContact C-N 3.34Å; T419-Y421 PolarHBondContact O-N 3.22Å; Y421-L423 VanDerWaalsContact C-N 3.35Å; Y421-D424 PolarHBondContact O-N 3.46Å; Y421-R425 VanDerWaalsContact CE1-CZ 3.44Å; Y421-R425 VanDerWaalsContact CE1-NE 3.34Å; Y421-R425 PolarHBondContact O-N 3.41Å; Y421-R425 PolarHBondContact OH-NH2 3.37Å
422K94.9Very high90.7Very high103 Ų10365.7 Ų65.745%0.44831%0.309SS..Hα-helixtrans-68.4-33.6173.1-69.5176-173.8175.20112L279 D418 T419 V420 F426L279-K422 HydrophobicContact CD1-CB 3.77Å; L279-K422 HydrophobicContact CD2-CB 4.14Å; L279-K422 HydrophobicContact CD2-CD 3.88Å; D418-K422 WeakPolarHBondContact O-CG 3.44Å; D418-K422 PolarHBondContact O-N 3.18Å; T419-K422 WeakPolarHBondContact O-CB 3.26Å; T419-K422 PolarHBondContact O-N 2.9Å; T419-K422 VanDerWaalsContact O-N 3.16Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.47Å; K422-F426 PolarHBondContact O-N 2.96Å
423L95.7Very high89.1Confident0 Ų071.6 Ų71.60%034%0.336CS..Hα-helixtrans-68.4-37.9174.9-68.2172.5000112.4L279 C282 K283 L286 I336 L337 F340 T419 V420 Y421 R425 F426 V427L279-L423 HydrophobicContact CD1-CD2 3.74Å; L279-L423 HydrophobicContact CD1-CG 4.02Å; C282-L423 HydrophobicContact CB-CD1 3.73Å; C282-L423 HydrophobicContact CB-CD2 3.83Å; C282-L423 HydrophobicContact CB-CG 4.36Å; K283-L423 HydrophobicContact CG-CD2 3.91Å; L286-L423 HydrophobicContact CD1-CD2 3.93Å; I336-L423 HydrophobicContact CG2-CD1 4.13Å; L337-L423 HydrophobicContact CD2-CD1 4.39Å; F340-L423 HydrophobicContact CD2-CB 3.83Å; F340-L423 HydrophobicContact CD2-CD1 4.3Å; F340-L423 HydrophobicContact CE2-CB 3.81Å; F340-L423 HydrophobicContact CG-CD1 4.4Å; T419-L423 HydrophobicContact CG2-CD1 4.36Å; T419-L423 WeakPolarHBondContact O-CG 3.17Å; T419-L423 PolarHBondContact O-N 3.49Å; V420-L423 WeakPolarHBondContact O-CA 3.47Å; V420-L423 WeakPolarHBondContact O-CB 3.13Å; V420-L423 PolarHBondContact O-N 3.41Å; Y421-L423 VanDerWaalsContact C-N 3.35Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 2.99Å; L423-F426 WeakPolarHBondContact O-CB 3.44Å; L423-F426 PolarHBondContact O-N 3.23Å; L423-F426 VanDerWaalsContact O-N 3.11Å; L423-V427 PolarHBondContact O-N 2.91Å
424D94Very high87.2Confident33 Ų3377.2 Ų77.218%0.17638%0.377CS..Hα-helixtrans-56.9-45.1174.7-72.4-57.2000111.8R344 V420 Y421 F426 V427 S428R344-D424 IonicContact CZ-OD1 2.69Å; R344-D424 IonicContact CZ-OD2 2.81Å; R344-D424 IonicContact NH1-OD1 3.4Å; R344-D424 IonicContact NH1-OD2 3.88Å; R344-D424 PolarHBondContact NH1-OD2 3.38Å; R344-D424 IonicContact NH2-OD1 3.17Å; R344-D424 PolarHBondContact NH2-OD1 3.03Å; R344-D424 IonicContact NH2-OD2 3.41Å; V420-D424 PolarHBondContact O-N 2.76Å; Y421-D424 PolarHBondContact O-N 3.46Å; D424-F426 VanDerWaalsContact C-N 3.31Å; D424-F426 PolarHBondContact O-N 3.09Å; D424-V427 PolarHBondContact O-N 2.86Å; D424-S428 VanDerWaalsContact O-CB 3.31Å; D424-S428 WeakPolarHBondContact O-CB 3.08Å; D424-S428 PolarHBondContact O-N 3.04Å; D424-S428 PolarHBondContact O-OG 3.43Å
425R91.7Very high86.9Confident157 Ų15774.6 Ų74.659%0.59237%0.367SS*.Hα-helixtrans-62.5-40.5176.9-67.4-178.6177.5-169.4-3111.4Y421 L423 S429Y421-R425 VanDerWaalsContact CE1-CZ 3.44Å; Y421-R425 VanDerWaalsContact CE1-NE 3.34Å; Y421-R425 PolarHBondContact O-N 3.41Å; Y421-R425 PolarHBondContact OH-NH2 3.37Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 2.99Å; R425-S429 PolarHBondContact O-N 3.11Å
426F90Very high86.4Confident28 Ų2877.1 Ų77.112%0.12338%0.379CS..Hα-helixtrans-64.1-51176.8172.4-109.7000112.2K283 L286 E287 K422 L423 D424 S428 S429 L430K283-F426 HydrophobicContact CB-CE1 4.04Å; K283-F426 HydrophobicContact CB-CZ 4.18Å; K283-F426 HydrophobicContact CD-CD1 4.25Å; K283-F426 HydrophobicContact CD-CD2 3.94Å; K283-F426 HydrophobicContact CD-CE1 4.3Å; K283-F426 HydrophobicContact CD-CE2 3.99Å; K283-F426 HydrophobicContact CD-CG 4.05Å; K283-F426 HydrophobicContact CD-CZ 4.16Å; K283-F426 HydrophobicContact CG-CD1 3.77Å; K283-F426 HydrophobicContact CG-CD2 4.36Å; K283-F426 HydrophobicContact CG-CE1 3.76Å; K283-F426 HydrophobicContact CG-CE2 4.36Å; K283-F426 HydrophobicContact CG-CG 4.07Å; K283-F426 HydrophobicContact CG-CZ 4.06Å; L286-F426 HydrophobicContact CD1-CD1 4.36Å; L286-F426 HydrophobicContact CD1-CE1 4.46Å; E287-F426 WeakPolarHBondContact OE1-CZ 3.15Å; K422-F426 PolarHBondContact O-N 2.96Å; L423-F426 WeakPolarHBondContact O-CB 3.44Å; L423-F426 PolarHBondContact O-N 3.23Å; L423-F426 VanDerWaalsContact O-N 3.11Å; D424-F426 VanDerWaalsContact C-N 3.31Å; D424-F426 PolarHBondContact O-N 3.09Å; F426-S428 VanDerWaalsContact C-N 3.28Å; F426-S428 PolarHBondContact O-N 3.09Å; F426-S429 WeakPolarHBondContact O-CA 3.47Å; F426-S429 WeakPolarHBondContact O-CB 3.21Å; F426-S429 PolarHBondContact O-N 2.71Å; F426-S429 PolarHBondContact O-OG 3.24Å; F426-L430 HydrophobicContact CD1-CD1 4.17Å; F426-L430 HydrophobicContact CE1-CD1 3.55Å; F426-L430 HydrophobicContact CE1-CG 4.32Å; F426-L430 HydrophobicContact CE2-CD1 4.3Å; F426-L430 HydrophobicContact CE2-CD2 4.34Å; F426-L430 HydrophobicContact CE2-CG 4.25Å; F426-L430 HydrophobicContact CZ-CD1 3.63Å; F426-L430 HydrophobicContact CZ-CD2 4.23Å; F426-L430 HydrophobicContact CZ-CG 4.06Å; F426-L430 PolarHBondContact O-N 2.97Å
427V89.4Confident85.9Confident35 Ų3581.1 Ų81.121%0.21240%0.399CS..Hα-helixtrans-62.9-37.5178.3173.70000111.5L286 F340 L423 D424 S429 L430 K431L286-V427 HydrophobicContact CD1-CG2 4.12Å; F340-V427 HydrophobicContact CZ-CG2 3.83Å; L423-V427 PolarHBondContact O-N 2.91Å; D424-V427 PolarHBondContact O-N 2.86Å; V427-S429 VanDerWaalsContact C-N 3.25Å; V427-S429 PolarHBondContact O-N 3.37Å; V427-L430 PolarHBondContact O-N 3.5Å; V427-K431 PolarHBondContact O-N 2.46Å; V427-K431 VanDerWaalsContact O-N 3.08Å
428S87.5Confident85.4Confident66 Ų6681.1 Ų81.146%0.46240%0.401SS..Hα-helixtrans-61.9-32.8173-59.40000112.7D424 F426 K432D424-S428 VanDerWaalsContact O-CB 3.31Å; D424-S428 WeakPolarHBondContact O-CB 3.08Å; D424-S428 PolarHBondContact O-N 3.04Å; D424-S428 PolarHBondContact O-OG 3.43Å; F426-S428 VanDerWaalsContact C-N 3.28Å; F426-S428 PolarHBondContact O-N 3.09Å; S428-K432 WeakPolarHBondContact O-CG 3.3Å; S428-K432 PolarHBondContact O-N 3.05Å
429S83.4Confident84.8Confident47 Ų4782 Ų8233%0.32940%0.403SS..Hα-helixtrans-73.2-38174.873.40000112.9R425 F426 V427 K432 Q433R425-S429 PolarHBondContact O-N 3.11Å; F426-S429 WeakPolarHBondContact O-CA 3.47Å; F426-S429 WeakPolarHBondContact O-CB 3.21Å; F426-S429 PolarHBondContact O-N 2.71Å; F426-S429 PolarHBondContact O-OG 3.24Å; V427-S429 VanDerWaalsContact C-N 3.25Å; V427-S429 PolarHBondContact O-N 3.37Å; S429-K432 PolarHBondContact O-N 3.23Å; S429-Q433 PolarHBondContact O-N 3.34Å
430L77.4Confident84Confident67 Ų6787.2 Ų87.235%0.35143%0.429SS..Hα-helixtrans-62.3-44.6175.5-70175.4000111.5F426 V427 K432 Q433 S434F426-L430 HydrophobicContact CD1-CD1 4.17Å; F426-L430 HydrophobicContact CE1-CD1 3.55Å; F426-L430 HydrophobicContact CE1-CG 4.32Å; F426-L430 HydrophobicContact CE2-CD1 4.3Å; F426-L430 HydrophobicContact CE2-CD2 4.34Å; F426-L430 HydrophobicContact CE2-CG 4.25Å; F426-L430 HydrophobicContact CZ-CD1 3.63Å; F426-L430 HydrophobicContact CZ-CD2 4.23Å; F426-L430 HydrophobicContact CZ-CG 4.06Å; F426-L430 PolarHBondContact O-N 2.97Å; V427-L430 PolarHBondContact O-N 3.5Å; L430-K432 PolarHBondContact O-N 2.89Å; L430-Q433 PolarHBondContact O-N 3.23Å; L430-S434 PolarHBondContact O-N 3.16Å; L430-S434 PolarHBondContact O-OG 3.46Å
431K78.5Confident83.2Confident151 Ų15193 Ų9366%0.65746%0.457SS*.Hα-helixtrans-64.8-19.3177.6-71.7-176.8179.5-176.90114.7V427 S434V427-K431 PolarHBondContact O-N 2.46Å; V427-K431 VanDerWaalsContact O-N 3.08Å; K431-S434 WeakPolarHBondContact CA-OG 3.48Å; K431-S434 PolarHBondContact O-OG 3.04Å
432K74.6Confident82.3Confident183 Ų18390.2 Ų90.280%0.79645%0.453SS*.Hα-helixtrans-87.5-17.5174.9-73.5179.2179.8-173.30112.6S428 S429 L430S428-K432 WeakPolarHBondContact O-CG 3.3Å; S428-K432 PolarHBondContact O-N 3.05Å; S429-K432 PolarHBondContact O-N 3.23Å; L430-K432 PolarHBondContact O-N 2.89Å
433Q60.2Low81.2Confident163 Ų16389.2 Ų89.276%0.76245%0.453SS*.Hα-helixtrans-97.5-24.8179.6-70.3179.3-9.100112.5S429 L430S429-Q433 PolarHBondContact O-N 3.34Å; L430-Q433 PolarHBondContact O-N 3.23Å
434S52.6Low79.9Confident140 Ų14097.3 Ų97.398%0.97949%0.494SS*.  trans-80.60165.363.80000111.2L430 K431L430-S434 PolarHBondContact O-N 3.16Å; L430-S434 PolarHBondContact O-OG 3.46Å; K431-S434 WeakPolarHBondContact CA-OG 3.48Å; K431-S434 PolarHBondContact O-OG 3.04Å

Retrieved 434 of 434 residues in 116.2 ms (Link to these results)

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