Q26572_SCHMA Loading...

Myosin light chain

AlphaFold DB , UniProt , Accession Q26572, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 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
1M45.5Very low76.6Confident199 Ų19999.1 Ų99.198%0.9851%0.511SS*.  0120.30-131.1152.4175.800104.7D3M1-D3 PolarHBondContact O-N 3.19Å; M1-D3 VanDerWaalsContact O-N 3.09Å
2V54Low78.1Confident85 Ų8591.2 Ų91.252%0.51547%0.471SS..  trans-75.394.1164.9-179.70000103.3H71V2-H71 PolarHBondContact O-CE1 3.48Å; V2-H71 PolarHBondContact O-ND1 2.93Å
3D66.7Low79.5Confident119 Ų11987.7 Ų87.764%0.63645%0.451SS*.PPolyproline II helixtrans-80.9125.2170.1-73.4-44.4000106.3M1 S5M1-D3 PolarHBondContact O-N 3.19Å; M1-D3 VanDerWaalsContact O-N 3.09Å; D3-S5 PolarHBondContact O-N 3.14Å
4L71.4Confident80.6Confident22 Ų2291.1 Ų91.112%0.11546%0.464CS..PPolyproline II helixtrans-62.4137.1173.9-78.1161.8000107.5D8 L9 Y70 H71 L74L4-D8 HydrophobicContact CB-CB 4.18Å; L4-D8 HydrophobicContact CD2-CB 3.57Å; L4-D8 HydrophobicContact CG-CB 4.44Å; L4-L9 HydrophobicContact CB-CD1 4.17Å; L4-L9 HydrophobicContact CB-CG 4.11Å; L4-L9 HydrophobicContact CD1-CG 4.36Å; L4-Y70 HydrophobicContact CD1-CD1 3.68Å; L4-Y70 HydrophobicContact CD1-CE1 3.63Å; L4-Y70 HydrophobicContact CD2-CE1 3.87Å; L4-Y70 HydrophobicContact CG-CE1 4.38Å; L4-H71 VanDerWaalsContact CD1-NE2 3.29Å; L4-H71 WeakPolarHBondContact CD1-NE2 3.1Å; L4-H71 WeakPolarHBondContact CG-CE1 3.26Å; L4-H71 PolarHBondContact N-CE1 2.84Å; L4-L74 HydrophobicContact CD2-CD2 4Å
5S80.6Confident81.6Confident54 Ų5489.3 Ų89.338%0.37845%0.454SS..PPolyproline II helixtrans-63.8156.3170.172.70000109.2D3 K7 D8 L9D3-S5 PolarHBondContact O-N 3.14Å; S5-K7 PolarHBondContact O-N 3.02Å; S5-K7 VanDerWaalsContact O-N 3.11Å; S5-D8 VanDerWaalsContact CB-OD2 3.32Å; S5-D8 WeakPolarHBondContact CB-OD2 3.28Å; S5-D8 PolarHBondContact N-OD2 2.75Å; S5-D8 PolarHBondContact O-N 2.93Å; S5-D8 PolarHBondContact OG-N 3.46Å; S5-D8 VanDerWaalsContact OG-N 3.16Å; S5-D8 PolarHBondContact OG-OD1 3.39Å; S5-D8 PolarHBondContact OG-OD2 3.01Å; S5-L9 PolarHBondContact O-N 3.18Å
6E81.3Confident82.6Confident172 Ų17283.8 Ų83.880%0.80443%0.426SS*.Hα-helixtrans-53.5-32.8173.6-75.2-176.2157.900111.9N10E6-N10 PolarHBondContact O-N 3.26Å; E6-N10 PolarHBondContact O-ND2 2.97Å
7K79.4Confident83.4Confident145 Ų14582.8 Ų82.863%0.6342%0.422SS*.Hα-helixtrans-66.1-48.7175.6-171.6-173171.7-166.20111.3S5 L9 N10 D11S5-K7 PolarHBondContact O-N 3.02Å; S5-K7 VanDerWaalsContact O-N 3.11Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 3.06Å; K7-N10 PolarHBondContact O-N 3.01Å; K7-N10 VanDerWaalsContact O-N 3.15Å; K7-D11 PolarHBondContact O-N 3.23Å
8D86.8Confident84.2Confident65 Ų6585.6 Ų85.635%0.34844%0.437SS..Hα-helixtrans-63.2-38179.5-51.2-42.7000110.8L4 S5 N10 D11 V12L4-D8 HydrophobicContact CB-CB 4.18Å; L4-D8 HydrophobicContact CD2-CB 3.57Å; L4-D8 HydrophobicContact CG-CB 4.44Å; S5-D8 VanDerWaalsContact CB-OD2 3.32Å; S5-D8 WeakPolarHBondContact CB-OD2 3.28Å; S5-D8 PolarHBondContact N-OD2 2.75Å; S5-D8 PolarHBondContact O-N 2.93Å; S5-D8 PolarHBondContact OG-N 3.46Å; S5-D8 VanDerWaalsContact OG-N 3.16Å; S5-D8 PolarHBondContact OG-OD1 3.39Å; S5-D8 PolarHBondContact OG-OD2 3.01Å; D8-N10 VanDerWaalsContact C-N 3.35Å; D8-N10 PolarHBondContact O-N 2.98Å; D8-D11 PolarHBondContact O-N 3.35Å; D8-V12 WeakPolarHBondContact O-CB 3.43Å; D8-V12 WeakPolarHBondContact O-CG2 3.35Å; D8-V12 PolarHBondContact O-N 3Å
9L90.9Very high84.8Confident54 Ų5483.6 Ų83.628%0.28343%0.425SS..Hα-helixtrans-63.3-39.1175.2-108.2155.8000112.6L4 S5 K7 H13 F63 V67L4-L9 HydrophobicContact CB-CD1 4.17Å; L4-L9 HydrophobicContact CB-CG 4.11Å; L4-L9 HydrophobicContact CD1-CG 4.36Å; S5-L9 PolarHBondContact O-N 3.18Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 3.06Å; L9-H13 WeakPolarHBondContact O-CB 3.23Å; L9-H13 PolarHBondContact O-N 3.36Å; L9-F63 HydrophobicContact CD2-CE1 4.08Å; L9-F63 HydrophobicContact CD2-CZ 4.05Å; L9-V67 HydrophobicContact CD2-CG1 4.29Å; L9-V67 HydrophobicContact CD2-CG2 3.87Å
10N93.1Very high85.4Confident98 Ų9880.5 Ų80.552%0.52441%0.409SS..Hα-helixtrans-66.4-44.4173.8-75.9-21000111.6E6 K7 D8 V12 H13 E14E6-N10 PolarHBondContact O-N 3.26Å; E6-N10 PolarHBondContact O-ND2 2.97Å; K7-N10 PolarHBondContact O-N 3.01Å; K7-N10 VanDerWaalsContact O-N 3.15Å; D8-N10 VanDerWaalsContact C-N 3.35Å; D8-N10 PolarHBondContact O-N 2.98Å; N10-V12 VanDerWaalsContact C-N 3.29Å; N10-V12 PolarHBondContact O-N 2.95Å; N10-H13 WeakPolarHBondContact O-CB 3.18Å; N10-H13 PolarHBondContact O-N 3.33Å; N10-H13 VanDerWaalsContact O-N 3.09Å; N10-E14 WeakPolarHBondContact O-CG 3.49Å; N10-E14 PolarHBondContact O-N 2.84Å
11D93.3Very high85.9Confident77 Ų7782.3 Ų82.341%0.41243%0.425SS..Hα-helixtrans-61.2-40.5178-66.4-17000110.7K7 D8 E14 M15K7-D11 PolarHBondContact O-N 3.23Å; D8-D11 PolarHBondContact O-N 3.35Å; D11-E14 PolarHBondContact O-N 3.26Å; D11-M15 PolarHBondContact O-N 3.1Å
12V94.5Very high88.3Confident4 Ų478.7 Ų78.72%0.02440%0.403CS..Hα-helixtrans-64.7-38.9174.2174.60000111.3D8 N10 F16 M39 F63 F66 Y70D8-V12 WeakPolarHBondContact O-CB 3.43Å; D8-V12 WeakPolarHBondContact O-CG2 3.35Å; D8-V12 PolarHBondContact O-N 3Å; N10-V12 VanDerWaalsContact C-N 3.29Å; N10-V12 PolarHBondContact O-N 2.95Å; V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.35Å; V12-F16 PolarHBondContact O-N 3.12Å; V12-M39 HydrophobicContact CB-SD 3.97Å; V12-M39 HydrophobicContact CG1-CE 4.32Å; V12-M39 HydrophobicContact CG1-SD 3.76Å; V12-M39 HydrophobicContact CG2-SD 3.77Å; V12-F63 HydrophobicContact CG1-CE2 3.97Å; V12-F63 HydrophobicContact CG1-CZ 4.29Å; V12-F66 HydrophobicContact CG1-CD1 4.4Å; V12-F66 HydrophobicContact CG1-CE1 3.93Å; V12-Y70 HydrophobicContact CG1-CD1 4.13Å; V12-Y70 HydrophobicContact CG1-CE1 4.42Å; V12-Y70 HydrophobicContact CG1-CG 4.3Å; V12-Y70 HydrophobicContact CG2-CD1 3.93Å; V12-Y70 HydrophobicContact CG2-CE1 3.4Å; V12-Y70 HydrophobicContact CG2-CE2 4.34Å
13H95.9Very high90.2Very high46 Ų4677.8 Ų77.821%0.21341%0.412CS..Hα-helixtrans-68.1-45.1177.2-169.3-156.1000112.2L9 N10 M15 F16 L17 F63L9-H13 WeakPolarHBondContact O-CB 3.23Å; L9-H13 PolarHBondContact O-N 3.36Å; N10-H13 WeakPolarHBondContact O-CB 3.18Å; N10-H13 PolarHBondContact O-N 3.33Å; N10-H13 VanDerWaalsContact O-N 3.09Å; H13-M15 VanDerWaalsContact C-N 3.32Å; H13-M15 PolarHBondContact O-N 2.87Å; H13-F16 WeakPolarHBondContact O-CB 3.46Å; H13-F16 PolarHBondContact O-N 3.49Å; H13-L17 WeakPolarHBondContact O-CG 3.39Å; H13-L17 PolarHBondContact O-N 3.43Å; H13-F63 HydrophobicContact CB-CD2 4.42Å; H13-F63 HydrophobicContact CB-CE1 3.93Å; H13-F63 HydrophobicContact CB-CE2 3.74Å; H13-F63 HydrophobicContact CB-CZ 3.46Å; H13-F63 VanDerWaalsContact CB-CZ 3.46Å; H13-F63 AromaticContact CD2-CD1 3.89Å; H13-F63 AromaticContact CD2-CD2 3.67Å; H13-F63 AromaticContact CD2-CE2 3.89Å; H13-F63 AromaticContact CD2-CG 3.67Å; H13-F63 AromaticContact CG-CE1 3.99Å; H13-F63 AromaticContact CG-CZ 3.94Å
14E95.7Very high91.7Very high135 Ų13575.6 Ų75.663%0.63140%0.4SS*.Hα-helixtrans-59-44.9176.3-72.3-173.3177.400111N10 D11 L17 L18N10-E14 WeakPolarHBondContact O-CG 3.49Å; N10-E14 PolarHBondContact O-N 2.84Å; D11-E14 PolarHBondContact O-N 3.26Å; E14-L17 PolarHBondContact O-N 3.47Å; E14-L18 PolarHBondContact O-N 2.62Å
15M95.4Very high92.9Very high65 Ų6580.1 Ų80.132%0.3242%0.42SS..Hα-helixtrans-62.2-43.8174.5-91.1-59.8-178.400112.7D11 H13 L17 L18 F19 A38 M39D11-M15 PolarHBondContact O-N 3.1Å; H13-M15 VanDerWaalsContact C-N 3.32Å; H13-M15 PolarHBondContact O-N 2.87Å; M15-L17 VanDerWaalsContact C-N 3.28Å; M15-L17 PolarHBondContact O-N 2.63Å; M15-L18 HydrophobicContact CE-CD1 4.4Å; M15-L18 WeakPolarHBondContact O-CB 3.2Å; M15-L18 PolarHBondContact O-N 3.31Å; M15-L18 VanDerWaalsContact O-N 3.13Å; M15-L18 HydrophobicContact SD-CD1 3.63Å; M15-F19 WeakPolarHBondContact O-CD2 3.31Å; M15-A38 HydrophobicContact SD-CB 4.32Å; M15-M39 HydrophobicContact CB-CG 3.88Å; M15-M39 HydrophobicContact CB-SD 4.11Å; M15-M39 HydrophobicContact CG-CG 3.92Å
16F97.1Very high93.7Very high0 Ų081.3 Ų81.30%042%0.419CS..Hα-helixtrans-57.5-42.3177-179.2-85.3000111.9V12 H13 L18 F19 D20 E25 I27 I61 F63 F66V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.35Å; V12-F16 PolarHBondContact O-N 3.12Å; H13-F16 WeakPolarHBondContact O-CB 3.46Å; H13-F16 PolarHBondContact O-N 3.49Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.85Å; F16-F19 PolarHBondContact O-N 3.13Å; F16-F19 VanDerWaalsContact O-N 3.15Å; F16-D20 PolarHBondContact O-N 2.74Å; F16-E25 WeakPolarHBondContact CE1-O 3.15Å; F16-I27 HydrophobicContact CD1-CG2 4.22Å; F16-I27 HydrophobicContact CD2-CD1 3.84Å; F16-I27 HydrophobicContact CD2-CG1 4.27Å; F16-I27 HydrophobicContact CD2-CG2 4.1Å; F16-I27 HydrophobicContact CE1-CG2 3.95Å; F16-I27 HydrophobicContact CE2-CB 4.23Å; F16-I27 HydrophobicContact CE2-CD1 3.48Å; F16-I27 VanDerWaalsContact CE2-CD1 3.48Å; F16-I27 HydrophobicContact CE2-CG1 3.5Å; F16-I27 VanDerWaalsContact CE2-CG1 3.5Å; F16-I27 HydrophobicContact CE2-CG2 3.85Å; F16-I27 HydrophobicContact CG-CG2 4.29Å; F16-I27 HydrophobicContact CZ-CB 4.22Å; F16-I27 HydrophobicContact CZ-CD1 4.3Å; F16-I27 HydrophobicContact CZ-CG1 3.82Å; F16-I27 HydrophobicContact CZ-CG2 3.77Å; F16-I61 WeakPolarHBondContact CZ-O 3.34Å; F16-F63 HydrophobicContact CB-CD2 3.88Å; F16-F63 HydrophobicContact CB-CE2 4.11Å; F16-F63 HydrophobicContact CD1-CB 4.25Å; F16-F63 AromaticContact CD1-CD2 3.97Å; F16-F63 HydrophobicContact CD1-CD2 3.97Å; F16-F63 AromaticContact CD2-CD2 3.99Å; F16-F63 HydrophobicContact CD2-CD2 3.99Å; F16-F63 HydrophobicContact CE1-CB 4.05Å; F16-F63 HydrophobicContact CE1-CD2 4.5Å; F16-F63 HydrophobicContact CE2-CD2 4.5Å; F16-F63 AromaticContact CG-CD2 3.69Å; F16-F63 HydrophobicContact CG-CD2 3.69Å; F16-F63 HydrophobicContact CG-CE2 4.39Å; F16-F63 HydrophobicContact CZ-CB 4.28Å; F16-F66 HydrophobicContact CD2-CB 4.08Å; F16-F66 AromaticContact CD2-CD1 3.72Å; F16-F66 HydrophobicContact CD2-CD1 3.72Å; F16-F66 HydrophobicContact CD2-CD2 4.25Å; F16-F66 HydrophobicContact CD2-CE1 4.17Å; F16-F66 AromaticContact CD2-CG 3.76Å; F16-F66 HydrophobicContact CD2-CG 3.76Å; F16-F66 HydrophobicContact CE2-CB 3.67Å; F16-F66 HydrophobicContact CE2-CD1 4.2Å; F16-F66 HydrophobicContact CE2-CD2 4.22Å; F16-F66 AromaticContact CE2-CG 3.78Å; F16-F66 HydrophobicContact CE2-CG 3.78Å
17L96.9Very high94.5Very high68 Ų6873.2 Ų73.236%0.35638%0.381SS..Hα-helixtrans-68.8-22.4179.2-67.8176.9000113.6H13 E14 M15 F19 D20 E25H13-L17 WeakPolarHBondContact O-CG 3.39Å; H13-L17 PolarHBondContact O-N 3.43Å; E14-L17 PolarHBondContact O-N 3.47Å; M15-L17 VanDerWaalsContact C-N 3.28Å; M15-L17 PolarHBondContact O-N 2.63Å; L17-F19 PolarHBondContact O-N 3.01Å; L17-D20 HydrophobicContact CD2-CB 4.5Å; L17-D20 PolarHBondContact O-N 2.85Å; L17-E25 HydrophobicContact CD2-CG 4.21Å
18L96.8Very high95.3Very high132 Ų13267.9 Ų67.969%0.69136%0.358SS*.Hα-helixtrans-64.9-25.2172.5-64.5-176.3000112.7E14 M15 F16E14-L18 PolarHBondContact O-N 2.62Å; M15-L18 HydrophobicContact CE-CD1 4.4Å; M15-L18 WeakPolarHBondContact O-CB 3.2Å; M15-L18 PolarHBondContact O-N 3.31Å; M15-L18 VanDerWaalsContact O-N 3.13Å; M15-L18 HydrophobicContact SD-CD1 3.63Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.85Å
19F96.4Very high95.7Very high48 Ų4865 Ų6521%0.21134%0.344CS..Hα-helixtrans-96.8-8.3177.5-69-101000112.6M15 F16 L17 T21 I27 D31 E34 V35 A38M15-F19 WeakPolarHBondContact O-CD2 3.31Å; F16-F19 PolarHBondContact O-N 3.13Å; F16-F19 VanDerWaalsContact O-N 3.15Å; L17-F19 PolarHBondContact O-N 3.01Å; F19-T21 PolarHBondContact O-N 3.23Å; F19-I27 HydrophobicContact CB-CG2 3.83Å; F19-D31 HydrophobicContact CD1-CB 4.46Å; F19-E34 HydrophobicContact CD1-CB 4.47Å; F19-E34 HydrophobicContact CE1-CB 3.61Å; F19-E34 HydrophobicContact CZ-CB 4.11Å; F19-V35 HydrophobicContact CB-CG2 3.86Å; F19-V35 HydrophobicContact CD1-CG2 3.97Å; F19-V35 HydrophobicContact CD2-CB 4.4Å; F19-V35 HydrophobicContact CD2-CG2 3.58Å; F19-V35 HydrophobicContact CE1-CG2 4.39Å; F19-V35 HydrophobicContact CE2-CB 4.46Å; F19-V35 HydrophobicContact CE2-CG2 4.03Å; F19-V35 HydrophobicContact CG-CG2 3.54Å; F19-V35 HydrophobicContact CZ-CG2 4.41Å; F19-A38 HydrophobicContact CE2-CB 4.15Å; F19-A38 HydrophobicContact CZ-CB 4.17Å
20D97.3Very high95.8Very high21 Ų2167.9 Ų67.911%0.11235%0.354CS..  trans-73.497.1172.4-178.75.5000110.8F16 L17 K22 G23 D24 E25 R60F16-D20 PolarHBondContact O-N 2.74Å; L17-D20 HydrophobicContact CD2-CB 4.5Å; L17-D20 PolarHBondContact O-N 2.85Å; D20-K22 VanDerWaalsContact C-N 3.28Å; D20-K22 PolarHBondContact O-N 2.83Å; D20-K22 PolarHBondContact OD1-N 2.8Å; D20-G23 VanDerWaalsContact CG-N 3.26Å; D20-G23 PolarHBondContact OD1-N 2.95Å; D20-G23 VanDerWaalsContact OD2-C 3.3Å; D20-G23 WeakPolarHBondContact OD2-CA 3.43Å; D20-G23 PolarHBondContact OD2-N 2.62Å; D20-D24 PolarHBondContact OD2-N 3.41Å; D20-E25 WeakPolarHBondContact OD2-CA 3.35Å; D20-E25 PolarHBondContact OD2-N 3.27Å; D20-R60 IonicContact OD1-NH2 3.53Å
21T94.7Very high96Very high120 Ų12064.4 Ų64.474%0.73634%0.335SS*.SBendtrans-78.3-7.6178.656.50000114.1F19F19-T21 PolarHBondContact O-N 3.23Å
22K95.9Very high96.1Very high122 Ų12260.7 Ų60.753%0.5332%0.316SS..SBendtrans-117.2-13.2-174-52.7-164.4-160.5167.90113.9D20 D24 E28D20-K22 VanDerWaalsContact C-N 3.28Å; D20-K22 PolarHBondContact O-N 2.83Å; D20-K22 PolarHBondContact OD1-N 2.8Å; K22-D24 VanDerWaalsContact C-N 3.34Å; K22-E28 IonicContact NZ-OE1 2.73Å
23G95.2Very high96.1Very high67 Ų6760.8 Ų60.869%0.69132%0.317SS*.SBendtrans69.330.4-179.800000113.2D20D20-G23 VanDerWaalsContact CG-N 3.26Å; D20-G23 PolarHBondContact OD1-N 2.95Å; D20-G23 VanDerWaalsContact OD2-C 3.3Å; D20-G23 WeakPolarHBondContact OD2-CA 3.43Å; D20-G23 PolarHBondContact OD2-N 2.62Å
24D96.8Very high96Very high73 Ų7364.3 Ų64.339%0.3933%0.334SS..SBendtrans-112.617.8177.669.4-13.1000113D20 K22 K26 R60D20-D24 PolarHBondContact OD2-N 3.41Å; K22-D24 VanDerWaalsContact C-N 3.34Å; D24-K26 VanDerWaalsContact C-N 3.28Å; D24-K26 PolarHBondContact O-N 3.28Å; D24-K26 PolarHBondContact OD1-N 3.41Å; D24-R60 IonicContact OD1-CZ 3.94Å; D24-R60 IonicContact OD1-NH1 3.51Å; D24-R60 PolarHBondContact OD1-NH1 2.73Å; D24-R60 IonicContact OD1-NH2 2.63Å; D24-R60 PolarHBondContact OD1-NH2 3.02Å; D24-R60 IonicContact OD2-CZ 3.34Å; D24-R60 IonicContact OD2-NH1 3.39Å; D24-R60 PolarHBondContact OD2-NH1 2.91Å; D24-R60 IonicContact OD2-NH2 2.91Å
25E96.6Very high96.1Very high116 Ų11657.9 Ų57.954%0.54230%0.304SS..SBendtrans58.537.9-178.1-60.2-174.2162.200112.6F16 L17 D20 F63F16-E25 WeakPolarHBondContact CE1-O 3.15Å; L17-E25 HydrophobicContact CD2-CG 4.21Å; D20-E25 WeakPolarHBondContact OD2-CA 3.35Å; D20-E25 PolarHBondContact OD2-N 3.27Å; E25-F63 PolarHBondContact O-N 2.96Å
26K97.9Very high96Very high80 Ų8054.8 Ų54.835%0.34829%0.288SS..EExtended strand (participates in β ladder)trans-139142177.8-58.9-178.9-175.7-175.70113D24 R60 I61D24-K26 VanDerWaalsContact C-N 3.28Å; D24-K26 PolarHBondContact O-N 3.28Å; D24-K26 PolarHBondContact OD1-N 3.41Å; K26-R60 HydrophobicContact CB-CB 4.16Å; K26-R60 HydrophobicContact CD-CB 3.93Å; K26-R60 PolarHBondContact O-NH2 3.21Å; K26-I61 WeakPolarHBondContact CA-O 3.45Å; K26-I61 WeakPolarHBondContact CB-O 3.36Å
27I97.3Very high95.9Very high1 Ų159.1 Ų59.11%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-107165.3169.966177.4000110.5F16 F19 D31 I32 V35 R60 I61 F66F16-I27 HydrophobicContact CD1-CG2 4.22Å; F16-I27 HydrophobicContact CD2-CD1 3.84Å; F16-I27 HydrophobicContact CD2-CG1 4.27Å; F16-I27 HydrophobicContact CD2-CG2 4.1Å; F16-I27 HydrophobicContact CE1-CG2 3.95Å; F16-I27 HydrophobicContact CE2-CB 4.23Å; F16-I27 HydrophobicContact CE2-CD1 3.48Å; F16-I27 VanDerWaalsContact CE2-CD1 3.48Å; F16-I27 HydrophobicContact CE2-CG1 3.5Å; F16-I27 VanDerWaalsContact CE2-CG1 3.5Å; F16-I27 HydrophobicContact CE2-CG2 3.85Å; F16-I27 HydrophobicContact CG-CG2 4.29Å; F16-I27 HydrophobicContact CZ-CB 4.22Å; F16-I27 HydrophobicContact CZ-CD1 4.3Å; F16-I27 HydrophobicContact CZ-CG1 3.82Å; F16-I27 HydrophobicContact CZ-CG2 3.77Å; F19-I27 HydrophobicContact CB-CG2 3.83Å; I27-D31 HydrophobicContact CB-CB 4.42Å; I27-I32 HydrophobicContact CD1-CG1 4.12Å; I27-V35 HydrophobicContact CD1-CG2 3.78Å; I27-R60 CarbonylContact O-C 3.53Å; I27-R60 WeakPolarHBondContact O-CA 3.4Å; I27-I61 HydrophobicContact CG1-CB 4.49Å; I27-I61 PolarHBondContact N-O 3.48Å; I27-I61 VanDerWaalsContact N-O 3.1Å; I27-I61 PolarHBondContact O-N 3.49Å; I27-F66 HydrophobicContact CD1-CD2 4.16Å; I27-F66 HydrophobicContact CD1-CE2 4.31Å
28E96.6Very high95.8Very high33 Ų3358.2 Ų58.215%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-80145.2168.3-65.4-176.6158.900109.7K22 K30 D31 E59K22-E28 IonicContact NZ-OE1 2.73Å; E28-K30 HydrophobicContact CB-CD 4.39Å; E28-K30 HydrophobicContact CB-CG 4.14Å; E28-K30 PolarHBondContact O-N 3.15Å; E28-K30 VanDerWaalsContact O-N 3.12Å; E28-K30 WeakPolarHBondContact OE2-CE 3.39Å; E28-K30 IonicContact OE2-NZ 2.75Å; E28-K30 PolarHBondContact OE2-NZ 3.42Å; E28-D31 WeakPolarHBondContact CB-OD2 3.41Å; E28-D31 PolarHBondContact N-OD2 3.35Å; E28-D31 VanDerWaalsContact N-OD2 3.13Å; E28-D31 WeakPolarHBondContact O-CB 3.45Å; E28-D31 PolarHBondContact O-N 3.04Å; E28-E59 CarbonylContact C-O 3.59Å; E28-E59 WeakPolarHBondContact CA-O 3.42Å
29A95.5Very high95.6Very high6 Ų653.7 Ų53.75%0.0528%0.283CS..G310 helixtrans-53.1-33.6-179.200000113.4D31 I32 Y53 N56 P57 E59 I61A29-D31 PolarHBondContact O-N 3.28Å; A29-I32 WeakPolarHBondContact O-CB 3.13Å; A29-I32 WeakPolarHBondContact O-CD1 3.4Å; A29-I32 VanDerWaalsContact O-CG1 3.31Å; A29-I32 WeakPolarHBondContact O-CG1 3.34Å; A29-I32 PolarHBondContact O-N 2.94Å; A29-Y53 HydrophobicContact CB-CD1 4.08Å; A29-Y53 HydrophobicContact CB-CG 4.17Å; A29-N56 VanDerWaalsContact CB-O 3.28Å; A29-N56 WeakPolarHBondContact CB-O 3.07Å; A29-P57 PolarHBondContact N-O 2.94Å; A29-E59 HydrophobicContact CB-CB 4.12Å; A29-E59 PolarHBondContact N-O 2.78Å; A29-I61 HydrophobicContact CB-CD1 4.47Å; A29-I61 HydrophobicContact CB-CG1 4.14Å
30K94.1Very high95.3Very high114 Ų11453.7 Ų53.750%0.49630%0.297SS..G310 helixtrans-64.1-24.5175.275-166-168.4-162.60113.5E28 I32 P57E28-K30 HydrophobicContact CB-CD 4.39Å; E28-K30 HydrophobicContact CB-CG 4.14Å; E28-K30 PolarHBondContact O-N 3.15Å; E28-K30 VanDerWaalsContact O-N 3.12Å; E28-K30 WeakPolarHBondContact OE2-CE 3.39Å; E28-K30 IonicContact OE2-NZ 2.75Å; E28-K30 PolarHBondContact OE2-NZ 3.42Å; K30-I32 VanDerWaalsContact C-N 3.34Å; K30-P57 HydrophobicContact CB-CB 3.86Å; K30-P57 WeakPolarHBondContact CB-O 3.31Å; K30-P57 PolarHBondContact N-O 2.95Å
31D95.8Very high95.1Very high24 Ų2452.9 Ų52.913%0.12829%0.293CS..G310 helixtrans-82.9-15.5-176.3-52.2-34.2000111.2F19 I27 E28 A29 G33 E34 V35F19-D31 HydrophobicContact CD1-CB 4.46Å; I27-D31 HydrophobicContact CB-CB 4.42Å; E28-D31 WeakPolarHBondContact CB-OD2 3.41Å; E28-D31 PolarHBondContact N-OD2 3.35Å; E28-D31 VanDerWaalsContact N-OD2 3.13Å; E28-D31 WeakPolarHBondContact O-CB 3.45Å; E28-D31 PolarHBondContact O-N 3.04Å; A29-D31 PolarHBondContact O-N 3.28Å; D31-G33 PolarHBondContact O-N 3Å; D31-G33 VanDerWaalsContact O-N 3.14Å; D31-E34 PolarHBondContact O-N 3Å; D31-V35 WeakPolarHBondContact O-CG2 3.47Å; D31-V35 PolarHBondContact O-N 2.97Å
32I96.1Very high95Very high0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-49.5-46.1-179-69172.3000111.3I27 A29 K30 E34 V35 V36 I48 Y53 I61 F66 I69I27-I32 HydrophobicContact CD1-CG1 4.12Å; A29-I32 WeakPolarHBondContact O-CB 3.13Å; A29-I32 WeakPolarHBondContact O-CD1 3.4Å; A29-I32 VanDerWaalsContact O-CG1 3.31Å; A29-I32 WeakPolarHBondContact O-CG1 3.34Å; A29-I32 PolarHBondContact O-N 2.94Å; K30-I32 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.3Å; I32-V35 PolarHBondContact O-N 3.39Å; I32-V36 WeakPolarHBondContact O-CG1 3.17Å; I32-V36 WeakPolarHBondContact O-CG2 3.44Å; I32-V36 PolarHBondContact O-N 3.37Å; I32-I48 HydrophobicContact CB-CG2 4.44Å; I32-I48 HydrophobicContact CG2-CG2 3.93Å; I32-Y53 HydrophobicContact CD1-CD2 3.71Å; I32-Y53 HydrophobicContact CD1-CE2 4.27Å; I32-Y53 HydrophobicContact CD1-CG 3.97Å; I32-I61 HydrophobicContact CD1-CG1 4.36Å; I32-F66 HydrophobicContact CG1-CD2 4.32Å; I32-F66 HydrophobicContact CG1-CE2 4.43Å; I32-F66 HydrophobicContact CG2-CE2 4.11Å; I32-I69 HydrophobicContact CD1-CD1 4.07Å; I32-I69 HydrophobicContact CG2-CG2 4.2Å
33G94.5Very high94.9Very high6 Ų648 Ų486%0.06227%0.269CS..Hα-helixtrans-63.2-39-179.900000113.2D31 V36 R37 I48D31-G33 PolarHBondContact O-N 3Å; D31-G33 VanDerWaalsContact O-N 3.14Å; G33-V36 WeakPolarHBondContact O-CG2 3.31Å; G33-R37 WeakPolarHBondContact O-CB 3.16Å; G33-R37 WeakPolarHBondContact O-CD 3.48Å; G33-R37 WeakPolarHBondContact O-CG 3.21Å; G33-R37 PolarHBondContact O-N 3.14Å; G33-R37 VanDerWaalsContact O-N 3.17Å; G33-I48 VanDerWaalsContact CA-CD1 3.49Å
34E94.4Very high94.8Very high119 Ų11947.6 Ų47.656%0.55625%0.253SS*.Hα-helixtrans-70.6-41.5176.3-63.7-169.5169.600111.4F19 D31 I32 V36 R37 A38F19-E34 HydrophobicContact CD1-CB 4.47Å; F19-E34 HydrophobicContact CE1-CB 3.61Å; F19-E34 HydrophobicContact CZ-CB 4.11Å; D31-E34 PolarHBondContact O-N 3Å; I32-E34 PolarHBondContact O-N 3.3Å; E34-V36 PolarHBondContact O-N 2.97Å; E34-R37 PolarHBondContact O-N 3.42Å; E34-A38 WeakPolarHBondContact O-CB 3.4Å; E34-A38 PolarHBondContact O-N 2.69Å
35V96Very high94.6Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-61.3-48.1178.6-175.50000110.6F19 I27 D31 I32 R37 A38 M39 F66F19-V35 HydrophobicContact CB-CG2 3.86Å; F19-V35 HydrophobicContact CD1-CG2 3.97Å; F19-V35 HydrophobicContact CD2-CB 4.4Å; F19-V35 HydrophobicContact CD2-CG2 3.58Å; F19-V35 HydrophobicContact CE1-CG2 4.39Å; F19-V35 HydrophobicContact CE2-CB 4.46Å; F19-V35 HydrophobicContact CE2-CG2 4.03Å; F19-V35 HydrophobicContact CG-CG2 3.54Å; F19-V35 HydrophobicContact CZ-CG2 4.41Å; I27-V35 HydrophobicContact CD1-CG2 3.78Å; D31-V35 WeakPolarHBondContact O-CG2 3.47Å; D31-V35 PolarHBondContact O-N 2.97Å; I32-V35 PolarHBondContact O-N 3.39Å; V35-R37 VanDerWaalsContact C-N 3.34Å; V35-R37 PolarHBondContact O-N 2.93Å; V35-A38 PolarHBondContact O-N 3.36Å; V35-M39 HydrophobicContact CG1-CE 3.95Å; V35-M39 WeakPolarHBondContact O-CG 3.49Å; V35-M39 PolarHBondContact O-N 3.15Å; V35-M39 VanDerWaalsContact O-N 3.1Å; V35-F66 HydrophobicContact CB-CE2 4.34Å; V35-F66 HydrophobicContact CB-CZ 4.1Å; V35-F66 HydrophobicContact CG1-CE1 4.21Å; V35-F66 HydrophobicContact CG1-CE2 4.28Å; V35-F66 HydrophobicContact CG1-CZ 3.63Å
36V95.3Very high94.4Very high0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-68.3-33.6-179-59.20000112.6I32 G33 E34 M39 G40 L41 P43 F66 Y70 L73I32-V36 WeakPolarHBondContact O-CG1 3.17Å; I32-V36 WeakPolarHBondContact O-CG2 3.44Å; I32-V36 PolarHBondContact O-N 3.37Å; G33-V36 WeakPolarHBondContact O-CG2 3.31Å; E34-V36 PolarHBondContact O-N 2.97Å; V36-M39 HydrophobicContact CB-CE 4.3Å; V36-M39 HydrophobicContact CG1-CE 3.95Å; V36-M39 CarbonylContact O-C 3.57Å; V36-M39 PolarHBondContact O-N 3.32Å; V36-G40 PolarHBondContact O-N 3.35Å; V36-L41 HydrophobicContact CB-CB 4.29Å; V36-L41 HydrophobicContact CB-CD2 4.44Å; V36-L41 WeakPolarHBondContact O-CB 3.28Å; V36-L41 PolarHBondContact O-N 2.71Å; V36-P43 HydrophobicContact CG2-CG 3.55Å; V36-F66 HydrophobicContact CG1-CE2 4.03Å; V36-F66 HydrophobicContact CG1-CZ 3.77Å; V36-Y70 HydrophobicContact CG1-CD2 4.25Å; V36-L73 HydrophobicContact CB-CD1 4.48Å; V36-L73 HydrophobicContact CG1-CD1 3.95Å; V36-L73 HydrophobicContact CG2-CD1 4.3Å
37R93.9Very high94.2Very high91 Ų9144 Ų4434%0.34324%0.243SC..Hα-helixtrans-68.6-38.9172.7-71.3171.2-172.51232.4112.6G33 E34 V35 M39 G40 L41 P43 E45G33-R37 WeakPolarHBondContact O-CB 3.16Å; G33-R37 WeakPolarHBondContact O-CD 3.48Å; G33-R37 WeakPolarHBondContact O-CG 3.21Å; G33-R37 PolarHBondContact O-N 3.14Å; G33-R37 VanDerWaalsContact O-N 3.17Å; E34-R37 PolarHBondContact O-N 3.42Å; V35-R37 VanDerWaalsContact C-N 3.34Å; V35-R37 PolarHBondContact O-N 2.93Å; R37-M39 PolarHBondContact O-N 3.23Å; R37-G40 PolarHBondContact O-N 3.32Å; R37-L41 WeakPolarHBondContact CA-O 3.45Å; R37-L41 VanDerWaalsContact CG-O 3.32Å; R37-L41 WeakPolarHBondContact CG-O 3.43Å; R37-P43 PolarHBondContact NH2-O 2.79Å; R37-E45 IonicContact CZ-OE1 3.14Å; R37-E45 VanDerWaalsContact CZ-OE1 3.29Å; R37-E45 IonicContact NH1-OE1 2.8Å; R37-E45 PolarHBondContact NH1-OE1 2.62Å; R37-E45 IonicContact NH2-OE1 2.64Å; R37-E45 PolarHBondContact NH2-OE1 2.99Å
38A94Very high94Very high49 Ų4944.5 Ų44.541%0.40525%0.246SC..Hα-helixtrans-63-25.6172.100000112.7M15 F19 E34 V35 G40M15-A38 HydrophobicContact SD-CB 4.32Å; F19-A38 HydrophobicContact CE2-CB 4.15Å; F19-A38 HydrophobicContact CZ-CB 4.17Å; E34-A38 WeakPolarHBondContact O-CB 3.4Å; E34-A38 PolarHBondContact O-N 2.69Å; V35-A38 PolarHBondContact O-N 3.36Å; A38-G40 VanDerWaalsContact C-N 3.32Å
39M92.8Very high93.8Very high37 Ų3743.7 Ų43.718%0.18225%0.246CC..THydrogen-bonded Turntrans-87.87.1172.7-64.6-175.7-61.300113.8V12 M15 V35 V36 R37 L41 F66 Y70V12-M39 HydrophobicContact CB-SD 3.97Å; V12-M39 HydrophobicContact CG1-CE 4.32Å; V12-M39 HydrophobicContact CG1-SD 3.76Å; V12-M39 HydrophobicContact CG2-SD 3.77Å; M15-M39 HydrophobicContact CB-CG 3.88Å; M15-M39 HydrophobicContact CB-SD 4.11Å; M15-M39 HydrophobicContact CG-CG 3.92Å; V35-M39 HydrophobicContact CG1-CE 3.95Å; V35-M39 WeakPolarHBondContact O-CG 3.49Å; V35-M39 PolarHBondContact O-N 3.15Å; V35-M39 VanDerWaalsContact O-N 3.1Å; V36-M39 HydrophobicContact CB-CE 4.3Å; V36-M39 HydrophobicContact CG1-CE 3.95Å; V36-M39 CarbonylContact O-C 3.57Å; V36-M39 PolarHBondContact O-N 3.32Å; R37-M39 PolarHBondContact O-N 3.23Å; M39-L41 HydrophobicContact CB-CD1 4.35Å; M39-F66 HydrophobicContact CE-CE1 3.83Å; M39-F66 HydrophobicContact CE-CZ 3.65Å; M39-Y70 HydrophobicContact CB-CE2 4.2Å; M39-Y70 HydrophobicContact CE-CD2 3.21Å; M39-Y70 HydrophobicContact CE-CE2 3.33Å; M39-Y70 HydrophobicContact CE-CG 4.11Å; M39-Y70 HydrophobicContact SD-CD2 4.22Å; M39-Y70 HydrophobicContact SD-CE2 3.89Å
40G91Very high93.7Very high49 Ų4949.3 Ų49.351%0.50527%0.27SS..THydrogen-bonded Turntrans83.813.4176.100000115.3V36 R37 A38 Q77V36-G40 PolarHBondContact O-N 3.35Å; R37-G40 PolarHBondContact O-N 3.32Å; A38-G40 VanDerWaalsContact C-N 3.32Å; G40-Q77 PolarHBondContact O-NE2 3.32Å
41L93.6Very high93.6Very high4 Ų446.9 Ų46.92%0.02126%0.258CS..  trans-91.8139.6171-70.759.1000109.9V36 R37 M39 P43 Y70 L73 L74 Q77V36-L41 HydrophobicContact CB-CB 4.29Å; V36-L41 HydrophobicContact CB-CD2 4.44Å; V36-L41 WeakPolarHBondContact O-CB 3.28Å; V36-L41 PolarHBondContact O-N 2.71Å; R37-L41 WeakPolarHBondContact CA-O 3.45Å; R37-L41 VanDerWaalsContact CG-O 3.32Å; R37-L41 WeakPolarHBondContact CG-O 3.43Å; M39-L41 HydrophobicContact CB-CD1 4.35Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å; L41-Y70 HydrophobicContact CD1-CE2 3.58Å; L41-Y70 HydrophobicContact CD2-CD2 3.82Å; L41-Y70 HydrophobicContact CD2-CE2 3.63Å; L41-Y70 HydrophobicContact CG-CE2 4.27Å; L41-L73 HydrophobicContact CD2-CB 3.95Å; L41-L74 HydrophobicContact CD1-CD1 4.2Å; L41-L74 HydrophobicContact CD2-CB 4.15Å; L41-L74 HydrophobicContact CD2-CD1 4.45Å; L41-L74 HydrophobicContact CG-CD1 4.4Å; L41-Q77 VanDerWaalsContact CA-NE2 3.34Å; L41-Q77 HydrophobicContact CG-CG 4.29Å
42N92.2Very high93Very high125 Ų12548.1 Ų48.167%0.66828%0.276SS*.  trans-115.357178.6-66-44.2000112.4
43P93.6Very high92.5Very high15 Ų1550.2 Ų50.210%0.09728%0.284CS..  trans-72.3152.7178.333.5-34.7000111.2V36 R37 L41 D47 I48 L73V36-P43 HydrophobicContact CG2-CG 3.55Å; R37-P43 PolarHBondContact NH2-O 2.79Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-D47 HydrophobicContact CB-CB 3.95Å; P43-I48 HydrophobicContact CB-CG1 4.26Å; P43-I48 HydrophobicContact CG-CD1 4.14Å; P43-I48 HydrophobicContact CG-CG1 3.99Å; P43-L73 HydrophobicContact CB-CD2 3.84Å; P43-L73 HydrophobicContact CG-CD1 4.38Å; P43-L73 HydrophobicContact CG-CD2 4.43Å
44T93.2Very high91.9Very high58 Ų5855.6 Ų55.636%0.35631%0.308SS..  trans-74162169.766.80000110.8S46 D47 I48 E114T44-S46 PolarHBondContact O-N 3.1Å; T44-D47 WeakPolarHBondContact CB-OD2 3.46Å; T44-D47 PolarHBondContact N-OD2 3.09Å; T44-D47 PolarHBondContact O-N 2.94Å; T44-D47 VanDerWaalsContact O-N 3.11Å; T44-D47 PolarHBondContact OG1-N 3.34Å; T44-D47 VanDerWaalsContact OG1-N 3.1Å; T44-D47 PolarHBondContact OG1-OD2 3.12Å; T44-I48 PolarHBondContact O-N 3.38Å; T44-I48 VanDerWaalsContact O-N 3.15Å; T44-E114 WeakPolarHBondContact CB-OE1 3.38Å; T44-E114 WeakPolarHBondContact CB-OE2 3.35Å
45E91.9Very high91.5Very high91 Ų9156.8 Ų56.843%0.42532%0.318SS..Hα-helixtrans-61.9-29.6174.1-66.2-57.7128.700111.5R37 G49 Q54 E114R37-E45 IonicContact CZ-OE1 3.14Å; R37-E45 VanDerWaalsContact CZ-OE1 3.29Å; R37-E45 IonicContact NH1-OE1 2.8Å; R37-E45 PolarHBondContact NH1-OE1 2.62Å; R37-E45 IonicContact NH2-OE1 2.64Å; R37-E45 PolarHBondContact NH2-OE1 2.99Å; E45-G49 PolarHBondContact O-N 3.4Å; E45-Q54 PolarHBondContact O-NE2 3.45Å; E45-E114 PolarHBondContact N-OE1 3.36Å; E45-E114 PolarHBondContact N-OE2 3.38Å
46S92.6Very high91.3Very high67 Ų6760.9 Ų60.947%0.46934%0.34SS..Hα-helixtrans-66.8-40.9172.8-600000112.2T44 G49 K50 E114T44-S46 PolarHBondContact O-N 3.1Å; S46-G49 PolarHBondContact O-N 3.41Å; S46-K50 PolarHBondContact O-N 2.99Å; S46-E114 WeakPolarHBondContact CB-OE1 3.44Å; S46-E114 PolarHBondContact N-OE1 3.11Å; S46-E114 PolarHBondContact OG-OE1 2.82Å
47D93.8Very high91.1Very high35 Ų3563.7 Ų63.719%0.18736%0.358CS..Hα-helixtrans-64-44.4177-63.1-43.3000111.4P43 T44 G49 K50 Y51 L73P43-D47 HydrophobicContact CB-CB 3.95Å; T44-D47 WeakPolarHBondContact CB-OD2 3.46Å; T44-D47 PolarHBondContact N-OD2 3.09Å; T44-D47 PolarHBondContact O-N 2.94Å; T44-D47 VanDerWaalsContact O-N 3.11Å; T44-D47 PolarHBondContact OG1-N 3.34Å; T44-D47 VanDerWaalsContact OG1-N 3.1Å; T44-D47 PolarHBondContact OG1-OD2 3.12Å; D47-G49 VanDerWaalsContact C-N 3.26Å; D47-G49 PolarHBondContact O-N 3.13Å; D47-K50 WeakPolarHBondContact O-CB 3.4Å; D47-K50 PolarHBondContact O-N 3.4Å; D47-K50 IonicContact OD1-NZ 3.89Å; D47-K50 PolarHBondContact OD1-NZ 3.1Å; D47-Y51 WeakPolarHBondContact O-CD2 3.34Å; D47-Y51 WeakPolarHBondContact O-CE2 3.39Å; D47-L73 HydrophobicContact CB-CD2 3.91Å
48I93.6Very high91.2Very high12 Ų1264.3 Ų64.36%0.06237%0.368CS..Hα-helixtrans-62.1-38.7174.3-61.6161.2000110.2I32 G33 P43 T44 K50 Y51 L73I32-I48 HydrophobicContact CB-CG2 4.44Å; I32-I48 HydrophobicContact CG2-CG2 3.93Å; G33-I48 VanDerWaalsContact CA-CD1 3.49Å; P43-I48 HydrophobicContact CB-CG1 4.26Å; P43-I48 HydrophobicContact CG-CD1 4.14Å; P43-I48 HydrophobicContact CG-CG1 3.99Å; T44-I48 PolarHBondContact O-N 3.38Å; T44-I48 VanDerWaalsContact O-N 3.15Å; I48-K50 VanDerWaalsContact C-N 3.28Å; I48-K50 PolarHBondContact O-N 3.32Å; I48-Y51 WeakPolarHBondContact O-CD2 3.29Å; I48-Y51 PolarHBondContact O-N 2.97Å; I48-L73 HydrophobicContact CG1-CD1 4.45Å
49G91.9Very high91.2Very high15 Ų1565.9 Ų65.916%0.15537%0.367CS..Hα-helixtrans-66.3-23.6-177.500000116.4E45 S46 D47 Y51 G52 Q54E45-G49 PolarHBondContact O-N 3.4Å; S46-G49 PolarHBondContact O-N 3.41Å; D47-G49 VanDerWaalsContact C-N 3.26Å; D47-G49 PolarHBondContact O-N 3.13Å; G49-Y51 PolarHBondContact O-N 3.34Å; G49-G52 PolarHBondContact O-N 2.95Å; G49-Q54 VanDerWaalsContact CA-CD 3.48Å; G49-Q54 VanDerWaalsContact CA-NE2 3.28Å
50K92.8Very high91.4Very high125 Ų12566.8 Ų66.854%0.54337%0.369SS..THydrogen-bonded Turntrans-56.4-23.5175.1-67.1165.1-176.3163.20112.7S46 D47 I48 E76S46-K50 PolarHBondContact O-N 2.99Å; D47-K50 WeakPolarHBondContact O-CB 3.4Å; D47-K50 PolarHBondContact O-N 3.4Å; D47-K50 IonicContact OD1-NZ 3.89Å; D47-K50 PolarHBondContact OD1-NZ 3.1Å; I48-K50 VanDerWaalsContact C-N 3.28Å; I48-K50 PolarHBondContact O-N 3.32Å; K50-E76 IonicContact NZ-OE2 2.69Å; K50-E76 PolarHBondContact NZ-OE2 3.4Å
51Y91.7Very high91.6Very high62 Ų6264.7 Ų64.724%0.24335%0.346CS..THydrogen-bonded Turntrans-880.7-179.1-58.5-86.9000114D47 I48 G49 Y53 I69 G72 L73D47-Y51 WeakPolarHBondContact O-CD2 3.34Å; D47-Y51 WeakPolarHBondContact O-CE2 3.39Å; I48-Y51 WeakPolarHBondContact O-CD2 3.29Å; I48-Y51 PolarHBondContact O-N 2.97Å; G49-Y51 PolarHBondContact O-N 3.34Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.41Å; Y51-Y53 WeakPolarHBondContact O-CE2 3.37Å; Y51-I69 HydrophobicContact CD1-CB 4.11Å; Y51-I69 HydrophobicContact CD1-CG1 3.84Å; Y51-I69 HydrophobicContact CD1-CG2 4.05Å; Y51-I69 HydrophobicContact CD2-CG2 3.75Å; Y51-I69 HydrophobicContact CE1-CB 4.39Å; Y51-I69 HydrophobicContact CE1-CG2 4.36Å; Y51-I69 HydrophobicContact CE2-CG2 4.1Å; Y51-I69 HydrophobicContact CG-CB 4.26Å; Y51-I69 HydrophobicContact CG-CG1 4.03Å; Y51-I69 HydrophobicContact CG-CG2 3.74Å; Y51-G72 VanDerWaalsContact OH-C 3.24Å; Y51-G72 WeakPolarHBondContact OH-CA 3.33Å; Y51-L73 HydrophobicContact CE2-CD2 3.7Å; Y51-L73 HydrophobicContact CE2-CG 3.84Å; Y51-L73 PolarHBondContact OH-N 3.34Å
52G84.2Confident91.8Very high51 Ų5166 Ų6653%0.52636%0.355SS..SBendtrans92.19.2166.600000116.3G49G49-G52 PolarHBondContact O-N 2.95Å
53Y85Confident92Very high43 Ų4361.6 Ų61.617%0.16933%0.33CS..  trans-96.4-7.5-172.5-61.9-65.8000115.4A29 I32 Y51 N55 N56 I61 I69A29-Y53 HydrophobicContact CB-CD1 4.08Å; A29-Y53 HydrophobicContact CB-CG 4.17Å; I32-Y53 HydrophobicContact CD1-CD2 3.71Å; I32-Y53 HydrophobicContact CD1-CE2 4.27Å; I32-Y53 HydrophobicContact CD1-CG 3.97Å; Y51-Y53 WeakPolarHBondContact O-CD2 3.41Å; Y51-Y53 WeakPolarHBondContact O-CE2 3.37Å; Y53-N55 PolarHBondContact O-N 2.86Å; Y53-N55 VanDerWaalsContact O-N 3.14Å; Y53-N56 CarbonylContact O-C 3.5Å; Y53-N56 PolarHBondContact O-N 3.26Å; Y53-I61 HydrophobicContact CD1-CD1 3.62Å; Y53-I61 HydrophobicContact CD1-CG1 4.26Å; Y53-I61 HydrophobicContact CE1-CD1 3.19Å; Y53-I61 HydrophobicContact CE1-CG1 4.08Å; Y53-I69 HydrophobicContact CD2-CD1 3.99Å; Y53-I69 HydrophobicContact CE2-CD1 3.27Å; Y53-I69 HydrophobicContact CE2-CG1 4.19Å
54Q81.9Confident92Very high119 Ų11968.7 Ų68.756%0.55636%0.362SS*.THydrogen-bonded Turntrans-58.7-31.1-176.7-74.5-177.4-1200113.9E45 G49E45-Q54 PolarHBondContact O-NE2 3.45Å; G49-Q54 VanDerWaalsContact CA-CD 3.48Å; G49-Q54 VanDerWaalsContact CA-NE2 3.28Å
55N87Confident92.1Very high145 Ų14568.5 Ų68.578%0.77536%0.363SS*.THydrogen-bonded Turntrans-90.6-10.7-175.7-63.7-43.5000113.8Y53Y53-N55 PolarHBondContact O-N 2.86Å; Y53-N55 VanDerWaalsContact O-N 3.14Å
56N91.9Very high92.3Very high86 Ų8664.1 Ų64.146%0.4634%0.343SS..  trans-129.965.3-178.3-60.7-36.3000110.9A29 Y53 N58 E59A29-N56 VanDerWaalsContact CB-O 3.28Å; A29-N56 WeakPolarHBondContact CB-O 3.07Å; Y53-N56 CarbonylContact O-C 3.5Å; Y53-N56 PolarHBondContact O-N 3.26Å; N56-N58 PolarHBondContact O-N 2.88Å; N56-E59 HydrophobicContact CB-CB 3.87Å; N56-E59 WeakPolarHBondContact CB-OE2 3.41Å; N56-E59 PolarHBondContact ND2-OE2 2.77Å; N56-E59 VanDerWaalsContact O-CB 3.23Å; N56-E59 WeakPolarHBondContact O-CB 3.46Å; N56-E59 PolarHBondContact O-N 2.72Å
57P91.5Very high92.4Very high58 Ų5862.2 Ų62.238%0.37733%0.328SS..THydrogen-bonded Turntrans-59.3-24.8-172.522.4-34.4000114.5A29 K30A29-P57 PolarHBondContact N-O 2.94Å; K30-P57 HydrophobicContact CB-CB 3.86Å; K30-P57 WeakPolarHBondContact CB-O 3.31Å; K30-P57 PolarHBondContact N-O 2.95Å
58N94.4Very high92.4Very high104 Ų10464.4 Ų64.456%0.55634%0.344SS*.THydrogen-bonded Turntrans-97.45.8179.8-53.7-42.6000113.1N56 R60N56-N58 PolarHBondContact O-N 2.88Å; N58-R60 PolarHBondContact O-N 2.95Å
59E94.9Very high92.4Very high82 Ų8264 Ų6438%0.38334%0.342SS..  trans-60.7134.5174-168.8174161.900109.6E28 A29 N56 I61E28-E59 CarbonylContact C-O 3.59Å; E28-E59 WeakPolarHBondContact CA-O 3.42Å; A29-E59 HydrophobicContact CB-CB 4.12Å; A29-E59 PolarHBondContact N-O 2.78Å; N56-E59 HydrophobicContact CB-CB 3.87Å; N56-E59 WeakPolarHBondContact CB-OE2 3.41Å; N56-E59 PolarHBondContact ND2-OE2 2.77Å; N56-E59 VanDerWaalsContact O-CB 3.23Å; N56-E59 WeakPolarHBondContact O-CB 3.46Å; N56-E59 PolarHBondContact O-N 2.72Å; E59-I61 HydrophobicContact CB-CD1 4.15Å; E59-I61 HydrophobicContact CG-CD1 3.75Å
60R96.2Very high92.6Very high57 Ų5764.3 Ų64.322%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-92.1108.1-176.9-62.8-62.3-59.2-60.315.5109.8D20 D24 K26 I27 N58D20-R60 IonicContact OD1-NH2 3.53Å; D24-R60 IonicContact OD1-CZ 3.94Å; D24-R60 IonicContact OD1-NH1 3.51Å; D24-R60 PolarHBondContact OD1-NH1 2.73Å; D24-R60 IonicContact OD1-NH2 2.63Å; D24-R60 PolarHBondContact OD1-NH2 3.02Å; D24-R60 IonicContact OD2-CZ 3.34Å; D24-R60 IonicContact OD2-NH1 3.39Å; D24-R60 PolarHBondContact OD2-NH1 2.91Å; D24-R60 IonicContact OD2-NH2 2.91Å; K26-R60 HydrophobicContact CB-CB 4.16Å; K26-R60 HydrophobicContact CD-CB 3.93Å; K26-R60 PolarHBondContact O-NH2 3.21Å; I27-R60 CarbonylContact O-C 3.53Å; I27-R60 WeakPolarHBondContact O-CA 3.4Å; N58-R60 PolarHBondContact O-N 2.95Å
61I95.9Very high92.6Very high5 Ų559.8 Ų59.83%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-96.4127.1-174.2-50.9-51.1000108.9F16 K26 I27 A29 I32 Y53 E59 F66F16-I61 WeakPolarHBondContact CZ-O 3.34Å; K26-I61 WeakPolarHBondContact CA-O 3.45Å; K26-I61 WeakPolarHBondContact CB-O 3.36Å; I27-I61 HydrophobicContact CG1-CB 4.49Å; I27-I61 PolarHBondContact N-O 3.48Å; I27-I61 VanDerWaalsContact N-O 3.1Å; I27-I61 PolarHBondContact O-N 3.49Å; A29-I61 HydrophobicContact CB-CD1 4.47Å; A29-I61 HydrophobicContact CB-CG1 4.14Å; I32-I61 HydrophobicContact CD1-CG1 4.36Å; Y53-I61 HydrophobicContact CD1-CD1 3.62Å; Y53-I61 HydrophobicContact CD1-CG1 4.26Å; Y53-I61 HydrophobicContact CE1-CD1 3.19Å; Y53-I61 HydrophobicContact CE1-CG1 4.08Å; E59-I61 HydrophobicContact CB-CD1 4.15Å; E59-I61 HydrophobicContact CG-CD1 3.75Å; I61-F66 HydrophobicContact CG2-CB 4.42Å
62S97Very high92.7Very high30 Ų3057.6 Ų57.621%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-76158.3174.2630000111.8E64 S65 F66S62-E64 VanDerWaalsContact C-N 3.26Å; S62-E64 PolarHBondContact O-N 3.17Å; S62-S65 WeakPolarHBondContact O-CB 3.18Å; S62-S65 PolarHBondContact O-N 3.35Å; S62-S65 PolarHBondContact OG-N 3.1Å; S62-S65 PolarHBondContact OG-OG 3.3Å; S62-F66 PolarHBondContact O-N 3.09Å
63F96.3Very high93.2Very high33 Ų3355.4 Ų55.415%0.14529%0.292CS..Hα-helixtrans-53.7-44173.1-174.7-112.5000112.5L9 V12 H13 F16 E25 S65 F66 V67L9-F63 HydrophobicContact CD2-CE1 4.08Å; L9-F63 HydrophobicContact CD2-CZ 4.05Å; V12-F63 HydrophobicContact CG1-CE2 3.97Å; V12-F63 HydrophobicContact CG1-CZ 4.29Å; H13-F63 HydrophobicContact CB-CD2 4.42Å; H13-F63 HydrophobicContact CB-CE1 3.93Å; H13-F63 HydrophobicContact CB-CE2 3.74Å; H13-F63 HydrophobicContact CB-CZ 3.46Å; H13-F63 VanDerWaalsContact CB-CZ 3.46Å; H13-F63 AromaticContact CD2-CD1 3.89Å; H13-F63 AromaticContact CD2-CD2 3.67Å; H13-F63 AromaticContact CD2-CE2 3.89Å; H13-F63 AromaticContact CD2-CG 3.67Å; H13-F63 AromaticContact CG-CE1 3.99Å; H13-F63 AromaticContact CG-CZ 3.94Å; F16-F63 HydrophobicContact CB-CD2 3.88Å; F16-F63 HydrophobicContact CB-CE2 4.11Å; F16-F63 HydrophobicContact CD1-CB 4.25Å; F16-F63 AromaticContact CD1-CD2 3.97Å; F16-F63 HydrophobicContact CD1-CD2 3.97Å; F16-F63 AromaticContact CD2-CD2 3.99Å; F16-F63 HydrophobicContact CD2-CD2 3.99Å; F16-F63 HydrophobicContact CE1-CB 4.05Å; F16-F63 HydrophobicContact CE1-CD2 4.5Å; F16-F63 HydrophobicContact CE2-CD2 4.5Å; F16-F63 AromaticContact CG-CD2 3.69Å; F16-F63 HydrophobicContact CG-CD2 3.69Å; F16-F63 HydrophobicContact CG-CE2 4.39Å; F16-F63 HydrophobicContact CZ-CB 4.28Å; E25-F63 PolarHBondContact O-N 2.96Å; F63-S65 PolarHBondContact O-N 3.45Å; F63-F66 WeakPolarHBondContact O-CB 3.36Å; F63-F66 PolarHBondContact O-N 2.95Å; F63-V67 HydrophobicContact CD1-CG2 4.13Å; F63-V67 HydrophobicContact CD2-CG2 4.48Å; F63-V67 HydrophobicContact CE1-CG2 3.68Å; F63-V67 HydrophobicContact CE2-CG2 4.07Å; F63-V67 HydrophobicContact CZ-CG2 3.63Å; F63-V67 WeakPolarHBondContact O-CG2 3.09Å; F63-V67 PolarHBondContact O-N 2.94Å
64E95.1Very high93.6Very high164 Ų16455.9 Ų55.977%0.76630%0.297SS*.Hα-helixtrans-57.4-35.6175.9-66.5-178159.800113.2S62 P68S62-E64 VanDerWaalsContact C-N 3.26Å; S62-E64 PolarHBondContact O-N 3.17Å; E64-P68 WeakPolarHBondContact O-CD 3.38Å
65S94.7Very high94.1Very high54 Ų5455.9 Ų55.938%0.37830%0.296SS..Hα-helixtrans-78.7-27.4177.5-55.90000112S62 F63S62-S65 WeakPolarHBondContact O-CB 3.18Å; S62-S65 PolarHBondContact O-N 3.35Å; S62-S65 PolarHBondContact OG-N 3.1Å; S62-S65 PolarHBondContact OG-OG 3.3Å; F63-S65 PolarHBondContact O-N 3.45Å
66F95.5Very high94.3Very high0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-76.7-36.4179.3177.8-98.6000113.1V12 F16 I27 I32 V35 V36 M39 I61 S62 F63 I69 Y70V12-F66 HydrophobicContact CG1-CD1 4.4Å; V12-F66 HydrophobicContact CG1-CE1 3.93Å; F16-F66 HydrophobicContact CD2-CB 4.08Å; F16-F66 AromaticContact CD2-CD1 3.72Å; F16-F66 HydrophobicContact CD2-CD1 3.72Å; F16-F66 HydrophobicContact CD2-CD2 4.25Å; F16-F66 HydrophobicContact CD2-CE1 4.17Å; F16-F66 AromaticContact CD2-CG 3.76Å; F16-F66 HydrophobicContact CD2-CG 3.76Å; F16-F66 HydrophobicContact CE2-CB 3.67Å; F16-F66 HydrophobicContact CE2-CD1 4.2Å; F16-F66 HydrophobicContact CE2-CD2 4.22Å; F16-F66 AromaticContact CE2-CG 3.78Å; F16-F66 HydrophobicContact CE2-CG 3.78Å; I27-F66 HydrophobicContact CD1-CD2 4.16Å; I27-F66 HydrophobicContact CD1-CE2 4.31Å; I32-F66 HydrophobicContact CG1-CD2 4.32Å; I32-F66 HydrophobicContact CG1-CE2 4.43Å; I32-F66 HydrophobicContact CG2-CE2 4.11Å; V35-F66 HydrophobicContact CB-CE2 4.34Å; V35-F66 HydrophobicContact CB-CZ 4.1Å; V35-F66 HydrophobicContact CG1-CE1 4.21Å; V35-F66 HydrophobicContact CG1-CE2 4.28Å; V35-F66 HydrophobicContact CG1-CZ 3.63Å; V36-F66 HydrophobicContact CG1-CE2 4.03Å; V36-F66 HydrophobicContact CG1-CZ 3.77Å; M39-F66 HydrophobicContact CE-CE1 3.83Å; M39-F66 HydrophobicContact CE-CZ 3.65Å; I61-F66 HydrophobicContact CG2-CB 4.42Å; S62-F66 PolarHBondContact O-N 3.09Å; F63-F66 WeakPolarHBondContact O-CB 3.36Å; F63-F66 PolarHBondContact O-N 2.95Å; F66-I69 WeakPolarHBondContact O-CA 3.31Å; F66-I69 VanDerWaalsContact O-CB 3.28Å; F66-I69 WeakPolarHBondContact O-CB 3.41Å; F66-I69 PolarHBondContact O-N 3.39Å; F66-Y70 HydrophobicContact CE1-CG 4.49Å; F66-Y70 PolarHBondContact O-N 3.15Å
67V94.7Very high94.1Very high27 Ų2752.9 Ų52.916%0.16427%0.274CS..Hα-helixtrans-53.9-46.5-177.2167.30000113.3L9 F63 I69 Y70 H71L9-V67 HydrophobicContact CD2-CG1 4.29Å; L9-V67 HydrophobicContact CD2-CG2 3.87Å; F63-V67 HydrophobicContact CD1-CG2 4.13Å; F63-V67 HydrophobicContact CD2-CG2 4.48Å; F63-V67 HydrophobicContact CE1-CG2 3.68Å; F63-V67 HydrophobicContact CE2-CG2 4.07Å; F63-V67 HydrophobicContact CZ-CG2 3.63Å; F63-V67 WeakPolarHBondContact O-CG2 3.09Å; F63-V67 PolarHBondContact O-N 2.94Å; V67-I69 VanDerWaalsContact C-N 3.3Å; V67-I69 PolarHBondContact O-N 3.49Å; V67-Y70 PolarHBondContact O-N 3.04Å; V67-H71 WeakPolarHBondContact O-CB 3.43Å; V67-H71 PolarHBondContact O-N 3.44Å
68P93.4Very high93.8Very high80 Ų8055.5 Ų55.552%0.51929%0.289SS..Hα-helixtrans-62.2-34.2175.2-24.134.2000113.9E64 G72E64-P68 WeakPolarHBondContact O-CD 3.38Å; P68-G72 PolarHBondContact O-N 2.91Å
69I94.7Very high93.3Very high5 Ų559.8 Ų59.83%0.02631%0.305CS..Hα-helixtrans-65.6-53.5177.5-55.4170000109.1I32 Y51 Y53 F66 V67 H71 G72 L73I32-I69 HydrophobicContact CD1-CD1 4.07Å; I32-I69 HydrophobicContact CG2-CG2 4.2Å; Y51-I69 HydrophobicContact CD1-CB 4.11Å; Y51-I69 HydrophobicContact CD1-CG1 3.84Å; Y51-I69 HydrophobicContact CD1-CG2 4.05Å; Y51-I69 HydrophobicContact CD2-CG2 3.75Å; Y51-I69 HydrophobicContact CE1-CB 4.39Å; Y51-I69 HydrophobicContact CE1-CG2 4.36Å; Y51-I69 HydrophobicContact CE2-CG2 4.1Å; Y51-I69 HydrophobicContact CG-CB 4.26Å; Y51-I69 HydrophobicContact CG-CG1 4.03Å; Y51-I69 HydrophobicContact CG-CG2 3.74Å; Y53-I69 HydrophobicContact CD2-CD1 3.99Å; Y53-I69 HydrophobicContact CE2-CD1 3.27Å; Y53-I69 HydrophobicContact CE2-CG1 4.19Å; F66-I69 WeakPolarHBondContact O-CA 3.31Å; F66-I69 VanDerWaalsContact O-CB 3.28Å; F66-I69 WeakPolarHBondContact O-CB 3.41Å; F66-I69 PolarHBondContact O-N 3.39Å; V67-I69 VanDerWaalsContact C-N 3.3Å; V67-I69 PolarHBondContact O-N 3.49Å; I69-H71 VanDerWaalsContact C-N 3.29Å; I69-H71 PolarHBondContact O-N 3.14Å; I69-G72 PolarHBondContact O-N 3.13Å; I69-G72 VanDerWaalsContact O-N 3.12Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.39Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.49Å
70Y95.1Very high92.8Very high21 Ų2159.9 Ų59.98%0.08231%0.311CS..Hα-helixtrans-55.9-45.5177.5174.9-106.4000111.4L4 V12 V36 M39 L41 F66 V67 G72 L73 L74L4-Y70 HydrophobicContact CD1-CD1 3.68Å; L4-Y70 HydrophobicContact CD1-CE1 3.63Å; L4-Y70 HydrophobicContact CD2-CE1 3.87Å; L4-Y70 HydrophobicContact CG-CE1 4.38Å; V12-Y70 HydrophobicContact CG1-CD1 4.13Å; V12-Y70 HydrophobicContact CG1-CE1 4.42Å; V12-Y70 HydrophobicContact CG1-CG 4.3Å; V12-Y70 HydrophobicContact CG2-CD1 3.93Å; V12-Y70 HydrophobicContact CG2-CE1 3.4Å; V12-Y70 HydrophobicContact CG2-CE2 4.34Å; V36-Y70 HydrophobicContact CG1-CD2 4.25Å; M39-Y70 HydrophobicContact CB-CE2 4.2Å; M39-Y70 HydrophobicContact CE-CD2 3.21Å; M39-Y70 HydrophobicContact CE-CE2 3.33Å; M39-Y70 HydrophobicContact CE-CG 4.11Å; M39-Y70 HydrophobicContact SD-CD2 4.22Å; M39-Y70 HydrophobicContact SD-CE2 3.89Å; L41-Y70 HydrophobicContact CD1-CE2 3.58Å; L41-Y70 HydrophobicContact CD2-CD2 3.82Å; L41-Y70 HydrophobicContact CD2-CE2 3.63Å; L41-Y70 HydrophobicContact CG-CE2 4.27Å; F66-Y70 HydrophobicContact CE1-CG 4.49Å; F66-Y70 PolarHBondContact O-N 3.15Å; V67-Y70 PolarHBondContact O-N 3.04Å; Y70-G72 VanDerWaalsContact C-N 3.33Å; Y70-G72 PolarHBondContact O-N 3.19Å; Y70-L73 PolarHBondContact O-N 2.85Å; Y70-L74 HydrophobicContact CE1-CD2 4.23Å; Y70-L74 VanDerWaalsContact O-CB 3.27Å; Y70-L74 WeakPolarHBondContact O-CB 3.35Å; Y70-L74 PolarHBondContact O-N 3.09Å
71H93.3Very high92.5Very high30 Ų3061.1 Ų61.114%0.13932%0.322CS..Hα-helixtrans-60.9-38.5177.4-103.3-62.8000114.1V2 L4 V67 I69 K75V2-H71 PolarHBondContact O-CE1 3.48Å; V2-H71 PolarHBondContact O-ND1 2.93Å; L4-H71 VanDerWaalsContact CD1-NE2 3.29Å; L4-H71 WeakPolarHBondContact CD1-NE2 3.1Å; L4-H71 WeakPolarHBondContact CG-CE1 3.26Å; L4-H71 PolarHBondContact N-CE1 2.84Å; V67-H71 WeakPolarHBondContact O-CB 3.43Å; V67-H71 PolarHBondContact O-N 3.44Å; I69-H71 VanDerWaalsContact C-N 3.29Å; I69-H71 PolarHBondContact O-N 3.14Å; H71-K75 WeakPolarHBondContact O-CG 3.39Å; H71-K75 PolarHBondContact O-N 3.11Å
72G94.1Very high92.4Very high16 Ų1664.6 Ų64.617%0.16534%0.338CS..Hα-helixtrans-71-45.4177.600000111.2Y51 P68 I69 Y70 L74 K75 E76Y51-G72 VanDerWaalsContact OH-C 3.24Å; Y51-G72 WeakPolarHBondContact OH-CA 3.33Å; P68-G72 PolarHBondContact O-N 2.91Å; I69-G72 PolarHBondContact O-N 3.13Å; I69-G72 VanDerWaalsContact O-N 3.12Å; Y70-G72 VanDerWaalsContact C-N 3.33Å; Y70-G72 PolarHBondContact O-N 3.19Å; G72-L74 VanDerWaalsContact C-N 3.33Å; G72-L74 PolarHBondContact O-N 3.17Å; G72-K75 PolarHBondContact O-N 3.42Å; G72-K75 VanDerWaalsContact O-N 3.13Å; G72-E76 PolarHBondContact O-N 3.06Å; G72-E76 VanDerWaalsContact O-N 3.09Å
73L94.6Very high92.2Very high5 Ų569.4 Ų69.43%0.02636%0.358CS..Hα-helixtrans-62.2-38.5175.9-66172.9000112.5V36 L41 P43 D47 I48 Y51 I69 Y70 K75 E76 Q77V36-L73 HydrophobicContact CB-CD1 4.48Å; V36-L73 HydrophobicContact CG1-CD1 3.95Å; V36-L73 HydrophobicContact CG2-CD1 4.3Å; L41-L73 HydrophobicContact CD2-CB 3.95Å; P43-L73 HydrophobicContact CB-CD2 3.84Å; P43-L73 HydrophobicContact CG-CD1 4.38Å; P43-L73 HydrophobicContact CG-CD2 4.43Å; D47-L73 HydrophobicContact CB-CD2 3.91Å; I48-L73 HydrophobicContact CG1-CD1 4.45Å; Y51-L73 HydrophobicContact CE2-CD2 3.7Å; Y51-L73 HydrophobicContact CE2-CG 3.84Å; Y51-L73 PolarHBondContact OH-N 3.34Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.39Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.49Å; Y70-L73 PolarHBondContact O-N 2.85Å; L73-K75 PolarHBondContact O-N 3.27Å; L73-E76 PolarHBondContact O-N 3.17Å; L73-Q77 PolarHBondContact O-N 3.17Å
74L93.2Very high92.1Very high52 Ų5271.9 Ų71.927%0.27238%0.376SS..Hα-helixtrans-61.3-34.3176.1-176.465000112.1L4 L41 Y70 G72L4-L74 HydrophobicContact CD2-CD2 4Å; L41-L74 HydrophobicContact CD1-CD1 4.2Å; L41-L74 HydrophobicContact CD2-CB 4.15Å; L41-L74 HydrophobicContact CD2-CD1 4.45Å; L41-L74 HydrophobicContact CG-CD1 4.4Å; Y70-L74 HydrophobicContact CE1-CD2 4.23Å; Y70-L74 VanDerWaalsContact O-CB 3.27Å; Y70-L74 WeakPolarHBondContact O-CB 3.35Å; Y70-L74 PolarHBondContact O-N 3.09Å; G72-L74 VanDerWaalsContact C-N 3.33Å; G72-L74 PolarHBondContact O-N 3.17Å
75K91.6Very high92Very high120 Ų12066.8 Ų66.852%0.52235%0.351SS..Hα-helixtrans-79.5-25.8177.4-70.5169.7-173.8164.50113.2H71 G72 L73H71-K75 WeakPolarHBondContact O-CG 3.39Å; H71-K75 PolarHBondContact O-N 3.11Å; G72-K75 PolarHBondContact O-N 3.42Å; G72-K75 VanDerWaalsContact O-N 3.13Å; L73-K75 PolarHBondContact O-N 3.27Å
76E91.5Very high92Very high86 Ų8665 Ų6540%0.40234%0.337SS..Hα-helixtrans-90.91.7-179.6-69.3-174.7-171.900112.9K50 G72 L73 V78K50-E76 IonicContact NZ-OE2 2.69Å; K50-E76 PolarHBondContact NZ-OE2 3.4Å; G72-E76 PolarHBondContact O-N 3.06Å; G72-E76 VanDerWaalsContact O-N 3.09Å; L73-E76 PolarHBondContact O-N 3.17Å; E76-V78 PolarHBondContact O-N 3.49Å
77Q88.7Confident91.9Very high82 Ų8269.6 Ų69.638%0.38336%0.358SS..  trans-49.2122.3174.9-81.5-1004400111.1G40 L41 L73G40-Q77 PolarHBondContact O-NE2 3.32Å; L41-Q77 VanDerWaalsContact CA-NE2 3.34Å; L41-Q77 HydrophobicContact CG-CG 4.29Å; L73-Q77 PolarHBondContact O-N 3.17Å
78V85.4Confident91.8Very high113 Ų11371.2 Ų71.269%0.68537%0.371SS*.  trans-105.7116.2172.4-178.40000107E76 V80E76-V78 PolarHBondContact O-N 3.49Å; V78-V80 PolarHBondContact O-N 2.92Å
79E83.9Confident91.7Very high194 Ų19468.1 Ų68.191%0.90735%0.349SS*.  trans-70.2119.6172.2-162.1173.3-17100108.4
80V84Confident91.6Very high83 Ų8373.9 Ų73.950%0.50337%0.371SS..  trans-96.8114.6175.1-179.30000107.4V78 F85 M145V78-V80 PolarHBondContact O-N 2.92Å; V80-F85 HydrophobicContact CG1-CB 4.23Å; V80-F85 HydrophobicContact CG1-CD1 4.34Å; V80-F85 HydrophobicContact CG1-CG 4.49Å; V80-M145 WeakPolarHBondContact O-CE 3.42Å
81D90.5Very high91.4Very high84 Ų8478.1 Ų78.145%0.44940%0.398SS..  trans-72.3131174.817061.3000110.7E83 T84 F85D81-E83 VanDerWaalsContact C-N 3.32Å; D81-E83 PolarHBondContact O-N 3.43Å; D81-E83 WeakPolarHBondContact OD2-CB 3.36Å; D81-E83 PolarHBondContact OD2-N 3.32Å; D81-T84 PolarHBondContact O-N 3.27Å; D81-T84 WeakPolarHBondContact OD2-CB 3.49Å; D81-T84 PolarHBondContact OD2-N 3.03Å; D81-T84 PolarHBondContact OD2-OG1 3.3Å; D81-F85 PolarHBondContact O-N 3.41Å
82Q92.8Very high91.3Very high77 Ų7780.2 Ų80.236%0.3641%0.407SS..Hα-helixtrans-63.6-39-176.2-171.1-174-58.900111.4F85 I86 V141 M145Q82-F85 PolarHBondContact O-N 2.63Å; Q82-I86 HydrophobicContact CG-CD1 4.03Å; Q82-I86 VanDerWaalsContact O-CG1 3.27Å; Q82-I86 WeakPolarHBondContact O-CG1 3.27Å; Q82-I86 PolarHBondContact O-N 3.16Å; Q82-V141 HydrophobicContact CG-CG1 3.87Å; Q82-M145 HydrophobicContact CB-CE 3.91Å; Q82-M145 HydrophobicContact CB-SD 3.75Å; Q82-M145 HydrophobicContact CG-CE 4.47Å; Q82-M145 HydrophobicContact CG-SD 3.72Å
83E93.7Very high91.2Very high132 Ų13280 Ų8062%0.61740%0.403SS*.Hα-helixtrans-65.7-45.6-179.6-171.3171.1-171.500110.5D81 F85 I86 E87D81-E83 VanDerWaalsContact C-N 3.32Å; D81-E83 PolarHBondContact O-N 3.43Å; D81-E83 WeakPolarHBondContact OD2-CB 3.36Å; D81-E83 PolarHBondContact OD2-N 3.32Å; E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.03Å; E83-I86 PolarHBondContact O-N 3.46Å; E83-E87 WeakPolarHBondContact O-CG 3.43Å; E83-E87 PolarHBondContact O-N 2.95Å
84T93.2Very high91Very high85 Ų8588.9 Ų88.952%0.52144%0.441SS..Hα-helixtrans-59.4-39.9174.4-55.20000111.9D81 E87 S88D81-T84 PolarHBondContact O-N 3.27Å; D81-T84 WeakPolarHBondContact OD2-CB 3.49Å; D81-T84 PolarHBondContact OD2-N 3.03Å; D81-T84 PolarHBondContact OD2-OG1 3.3Å; T84-E87 PolarHBondContact O-N 3.37Å; T84-S88 PolarHBondContact O-N 3.11Å; T84-S88 VanDerWaalsContact O-N 3.17Å
85F93.8Very high90.9Very high57 Ų5793.9 Ų93.925%0.2546%0.463CS..Hα-helixtrans-66.9-42.8176.8-166-177.7000111.4V80 D81 Q82 E83 E87 S88 F89 V141 V144 M145V80-F85 HydrophobicContact CG1-CB 4.23Å; V80-F85 HydrophobicContact CG1-CD1 4.34Å; V80-F85 HydrophobicContact CG1-CG 4.49Å; D81-F85 PolarHBondContact O-N 3.41Å; Q82-F85 PolarHBondContact O-N 2.63Å; E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.03Å; F85-E87 PolarHBondContact O-N 3.42Å; F85-S88 WeakPolarHBondContact O-CB 3.32Å; F85-S88 PolarHBondContact O-N 2.95Å; F85-S88 PolarHBondContact O-OG 3.03Å; F85-F89 HydrophobicContact CD2-CD2 4.48Å; F85-F89 AromaticContact CD2-CE2 3.89Å; F85-F89 HydrophobicContact CD2-CE2 3.89Å; F85-F89 AromaticContact CE2-CE2 3.54Å; F85-F89 HydrophobicContact CE2-CE2 3.54Å; F85-F89 HydrophobicContact CE2-CZ 4.09Å; F85-F89 HydrophobicContact CZ-CE2 4.32Å; F85-F89 WeakPolarHBondContact O-CD2 3.47Å; F85-V141 HydrophobicContact CB-CG1 4.04Å; F85-V141 HydrophobicContact CD1-CB 4.45Å; F85-V141 HydrophobicContact CD1-CG1 3.61Å; F85-V141 HydrophobicContact CD1-CG2 4.15Å; F85-V141 HydrophobicContact CD2-CG2 4.16Å; F85-V141 HydrophobicContact CE1-CG1 4.26Å; F85-V141 HydrophobicContact CE1-CG2 4.38Å; F85-V141 HydrophobicContact CE2-CG2 4.39Å; F85-V141 HydrophobicContact CG-CG1 3.93Å; F85-V141 HydrophobicContact CG-CG2 4.02Å; F85-V141 HydrophobicContact CZ-CG2 4.5Å; F85-V144 HydrophobicContact CE1-CB 4.5Å; F85-V144 HydrophobicContact CE1-CG1 4.04Å; F85-M145 HydrophobicContact CD1-CG 4.26Å; F85-M145 HydrophobicContact CD1-SD 3.88Å
86I94.4Very high91Very high17 Ų1794.3 Ų94.39%0.08747%0.471CS..Hα-helixtrans-61.2-44.8174.2-70.1168.8000111Q82 E83 S88 F89 Y137 E138 V141Q82-I86 HydrophobicContact CG-CD1 4.03Å; Q82-I86 VanDerWaalsContact O-CG1 3.27Å; Q82-I86 WeakPolarHBondContact O-CG1 3.27Å; Q82-I86 PolarHBondContact O-N 3.16Å; E83-I86 PolarHBondContact O-N 3.46Å; I86-S88 PolarHBondContact O-N 3.44Å; I86-F89 PolarHBondContact O-N 2.95Å; I86-Y137 HydrophobicContact CG2-CD2 4.01Å; I86-Y137 HydrophobicContact CG2-CE2 3.66Å; I86-E138 HydrophobicContact CD1-CB 4.43Å; I86-E138 HydrophobicContact CD1-CG 4.19Å; I86-E138 HydrophobicContact CG1-CG 4.45Å; I86-E138 HydrophobicContact CG2-CG 3.84Å; I86-V141 HydrophobicContact CG1-CB 3.92Å; I86-V141 HydrophobicContact CG1-CG1 3.9Å; I86-V141 HydrophobicContact CG1-CG2 4.04Å
87E93Very high91.2Very high96 Ų9693.6 Ų93.645%0.44947%0.47SS..Hα-helixtrans-59.2-33.4178.9-76.6-168.7154.100112.7E83 T84 F85 F89 R90E83-E87 WeakPolarHBondContact O-CG 3.43Å; E83-E87 PolarHBondContact O-N 2.95Å; T84-E87 PolarHBondContact O-N 3.37Å; F85-E87 PolarHBondContact O-N 3.42Å; E87-F89 PolarHBondContact O-N 2.95Å; E87-R90 WeakPolarHBondContact O-CB 3.13Å; E87-R90 PolarHBondContact O-N 3.01Å; E87-R90 VanDerWaalsContact O-N 3.09Å
88S91.9Very high91.5Very high60 Ų6090.6 Ų90.642%0.4246%0.46SS..Hα-helixtrans-60.9-25176.680.10000113.5T84 F85 I86T84-S88 PolarHBondContact O-N 3.11Å; T84-S88 VanDerWaalsContact O-N 3.17Å; F85-S88 WeakPolarHBondContact O-CB 3.32Å; F85-S88 PolarHBondContact O-N 2.95Å; F85-S88 PolarHBondContact O-OG 3.03Å; I86-S88 PolarHBondContact O-N 3.44Å
89F93Very high92Very high16 Ų1687.2 Ų87.27%0.0744%0.438CS..Hα-helixtrans-83.4-20.3177-75.2-73.4000113.9F85 I86 E87 V91 F92 D93 I100 L105 Y137 F140 V141F85-F89 HydrophobicContact CD2-CD2 4.48Å; F85-F89 AromaticContact CD2-CE2 3.89Å; F85-F89 HydrophobicContact CD2-CE2 3.89Å; F85-F89 AromaticContact CE2-CE2 3.54Å; F85-F89 HydrophobicContact CE2-CE2 3.54Å; F85-F89 HydrophobicContact CE2-CZ 4.09Å; F85-F89 HydrophobicContact CZ-CE2 4.32Å; F85-F89 WeakPolarHBondContact O-CD2 3.47Å; I86-F89 PolarHBondContact O-N 2.95Å; E87-F89 PolarHBondContact O-N 2.95Å; F89-V91 PolarHBondContact O-N 3.36Å; F89-F92 HydrophobicContact CD1-CD2 4.32Å; F89-F92 PolarHBondContact O-N 3.24Å; F89-D93 PolarHBondContact O-N 3.26Å; F89-I100 HydrophobicContact CD1-CD1 4.24Å; F89-L105 HydrophobicContact CE1-CD1 3.55Å; F89-L105 HydrophobicContact CZ-CD1 4.08Å; F89-Y137 HydrophobicContact CB-CD1 4.12Å; F89-Y137 HydrophobicContact CB-CD2 3.79Å; F89-Y137 HydrophobicContact CB-CE2 4.41Å; F89-Y137 HydrophobicContact CB-CG 3.65Å; F89-Y137 HydrophobicContact CG-CG 4.26Å; F89-F140 HydrophobicContact CE2-CD1 4.17Å; F89-F140 HydrophobicContact CE2-CE1 4.29Å; F89-F140 AromaticContact CZ-CD1 3.99Å; F89-F140 HydrophobicContact CZ-CD1 3.99Å; F89-F140 AromaticContact CZ-CE1 3.81Å; F89-F140 HydrophobicContact CZ-CE1 3.81Å; F89-V141 HydrophobicContact CD2-CG2 3.84Å; F89-V141 HydrophobicContact CE2-CG2 3.63Å
90R91.5Very high92.6Very high126 Ų12678.1 Ų78.148%0.47540%0.396SS..THydrogen-bonded Turntrans-60.1-21.7179.5-72.1-171.6176165.83113.4E87 F92 D93E87-R90 WeakPolarHBondContact O-CB 3.13Å; E87-R90 PolarHBondContact O-N 3.01Å; E87-R90 VanDerWaalsContact O-N 3.09Å; R90-F92 PolarHBondContact O-N 3.32Å; R90-D93 PolarHBondContact O-N 3.35Å
91V91.2Very high93.1Very high109 Ų10975.8 Ų75.866%0.66138%0.383SS*.THydrogen-bonded Turntrans-65.5-21.5175.9-44.20000112.7F89F89-V91 PolarHBondContact O-N 3.36Å
92F90.5Very high93.3Very high74 Ų7472.1 Ų72.133%0.32537%0.365SS..THydrogen-bonded Turntrans-96.8-28178.7-57.2-73.2000112.4F89 R90 K94 I100 L108F89-F92 HydrophobicContact CD1-CD2 4.32Å; F89-F92 PolarHBondContact O-N 3.24Å; R90-F92 PolarHBondContact O-N 3.32Å; F92-K94 PolarHBondContact O-N 3.33Å; F92-I100 HydrophobicContact CB-CD1 3.53Å; F92-I100 HydrophobicContact CB-CG1 4.05Å; F92-I100 HydrophobicContact CD2-CD1 4.04Å; F92-I100 HydrophobicContact CG-CD1 3.82Å; F92-L108 HydrophobicContact CD1-CD1 4.05Å; F92-L108 HydrophobicContact CD2-CD1 3.94Å; F92-L108 HydrophobicContact CE1-CD1 3.67Å; F92-L108 HydrophobicContact CE1-CD2 3.73Å; F92-L108 HydrophobicContact CE1-CG 4.27Å; F92-L108 HydrophobicContact CE2-CD1 3.56Å; F92-L108 HydrophobicContact CE2-CD2 4.44Å; F92-L108 HydrophobicContact CG-CD1 4.19Å; F92-L108 HydrophobicContact CZ-CD1 3.42Å; F92-L108 VanDerWaalsContact CZ-CD1 3.42Å; F92-L108 HydrophobicContact CZ-CD2 3.54Å; F92-L108 HydrophobicContact CZ-CG 4.13Å
93D93.4Very high93.4Very high13 Ų1371.8 Ų71.87%0.0738%0.375CS..  trans-80.186.9176.9-176.86.2000111.6F89 R90 E95 D96 N97 G98 Y137F89-D93 PolarHBondContact O-N 3.26Å; R90-D93 PolarHBondContact O-N 3.35Å; D93-E95 PolarHBondContact O-N 2.95Å; D93-E95 PolarHBondContact OD1-N 3.22Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; D93-D96 PolarHBondContact OD1-N 3.37Å; D93-D96 WeakPolarHBondContact OD2-CA 3.42Å; D93-N97 PolarHBondContact OD1-N 2.64Å; D93-N97 PolarHBondContact OD1-OD1 2.92Å; D93-N97 PolarHBondContact OD2-N 2.93Å; D93-G98 WeakPolarHBondContact OD2-CA 3.26Å; D93-G98 PolarHBondContact OD2-N 3.16Å; D93-Y137 HydrophobicContact CB-CE1 3.81Å
94K89.3Confident93.4Very high191 Ų19169.8 Ų69.883%0.8337%0.365SS*.THydrogen-bonded Turntrans-69.9-20.4179.2-62.9177.2-173.1164.50113.3F92F92-K94 PolarHBondContact O-N 3.33Å
95E91.9Very high93.4Very high157 Ų15765.7 Ų65.773%0.73434%0.341SS*.THydrogen-bonded Turntrans-97.8-6-175.6-62.4-166.6148.200112.4D93 N97D93-E95 PolarHBondContact O-N 2.95Å; D93-E95 PolarHBondContact OD1-N 3.22Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; E95-N97 HydrophobicContact CB-CB 4.34Å; E95-N97 PolarHBondContact O-N 3.33Å; E95-N97 PolarHBondContact OE2-ND2 2.8Å; E95-N97 VanDerWaalsContact OE2-ND2 3.08Å
96D93.2Very high93.5Very high128 Ų12866.1 Ų66.168%0.68434%0.341SS*.SBendtrans52.142-176.1-162.938.8000111.5D93D93-D96 PolarHBondContact OD1-N 3.37Å; D93-D96 WeakPolarHBondContact OD2-CA 3.42Å
97N94.9Very high93.6Very high72 Ų7271.3 Ų71.339%0.38536%0.364SS..SBendtrans-107.60.6-17670.714.9000113.5D93 E95 L99D93-N97 PolarHBondContact OD1-N 2.64Å; D93-N97 PolarHBondContact OD1-OD1 2.92Å; D93-N97 PolarHBondContact OD2-N 2.93Å; E95-N97 HydrophobicContact CB-CB 4.34Å; E95-N97 PolarHBondContact O-N 3.33Å; E95-N97 PolarHBondContact OE2-ND2 2.8Å; E95-N97 VanDerWaalsContact OE2-ND2 3.08Å; N97-L99 WeakPolarHBondContact OD1-CB 3.32Å; N97-L99 WeakPolarHBondContact OD1-CG 3.2Å; N97-L99 PolarHBondContact OD1-N 3.17Å
98G96Very high93.6Very high18 Ų1868.2 Ų68.219%0.18635%0.351CS..SBendtrans84.59.2-179.900000114.8D93 P136 Y137D93-G98 WeakPolarHBondContact OD2-CA 3.26Å; D93-G98 PolarHBondContact OD2-N 3.16Å; G98-P136 WeakPolarHBondContact O-CA 3.38Å; G98-Y137 VanDerWaalsContact C-CD1 3.47Å; G98-Y137 VanDerWaalsContact CA-CE1 3.4Å; G98-Y137 VanDerWaalsContact O-CD1 3.26Å; G98-Y137 WeakPolarHBondContact O-CD1 3.27Å; G98-Y137 WeakPolarHBondContact O-CE1 3.46Å; G98-Y137 PolarHBondContact O-N 3.12Å
99L96.7Very high93.7Very high42 Ų4267.2 Ų67.222%0.2234%0.34CS..EExtended strand (participates in β ladder)trans-120.8145.3-171.1-52.6172.6000112.5N97 L134 V135 P136N97-L99 WeakPolarHBondContact OD1-CB 3.32Å; N97-L99 WeakPolarHBondContact OD1-CG 3.2Å; N97-L99 PolarHBondContact OD1-N 3.17Å; L99-L134 HydrophobicContact CB-CB 4.26Å; L99-L134 HydrophobicContact CD1-CB 4.36Å; L99-L134 HydrophobicContact CD1-CD1 3.89Å; L99-V135 WeakPolarHBondContact CA-O 3.31Å; L99-P136 HydrophobicContact CD2-CB 4.04Å; L99-P136 HydrophobicContact CD2-CG 3.86Å
100I95.3Very high93.9Very high3 Ų368.1 Ų68.12%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-126.8150.1169-169.9172.8000109.6F89 F92 A102 E104 L105 L108 L134 V135F89-I100 HydrophobicContact CD1-CD1 4.24Å; F92-I100 HydrophobicContact CB-CD1 3.53Å; F92-I100 HydrophobicContact CB-CG1 4.05Å; F92-I100 HydrophobicContact CD2-CD1 4.04Å; F92-I100 HydrophobicContact CG-CD1 3.82Å; I100-A102 PolarHBondContact O-N 3.25Å; I100-E104 HydrophobicContact CD1-CB 4.48Å; I100-E104 HydrophobicContact CG1-CB 4.26Å; I100-L105 HydrophobicContact CD1-CB 4.37Å; I100-L105 HydrophobicContact CG2-CB 4.21Å; I100-L105 HydrophobicContact CG2-CD2 4.11Å; I100-L108 HydrophobicContact CD1-CD1 4.14Å; I100-L134 WeakPolarHBondContact O-CA 3.41Å; I100-V135 HydrophobicContact CG2-CB 4.28Å; I100-V135 PolarHBondContact N-O 3.33Å; I100-V135 PolarHBondContact O-N 3.29Å
101S94.9Very high94Very high35 Ų3564 Ų6425%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-63.7134.7172176.60000110.9A103 E104 L105S101-A103 PolarHBondContact O-N 3.44Å; S101-A103 PolarHBondContact OG-N 3.13Å; S101-E104 WeakPolarHBondContact CB-OE2 3.48Å; S101-E104 PolarHBondContact O-N 2.9Å; S101-E104 VanDerWaalsContact O-N 3.14Å; S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 PolarHBondContact O-N 3.22Å
102A95.3Very high94Very high7 Ų764.2 Ų64.26%0.05834%0.337CS..Hα-helixtrans-56.9-33.7172.200000111.9I100 R106 L125 E129 G133 V135I100-A102 PolarHBondContact O-N 3.25Å; A102-R106 VanDerWaalsContact O-CB 3.26Å; A102-R106 WeakPolarHBondContact O-CB 3.47Å; A102-R106 PolarHBondContact O-N 3.23Å; A102-L125 HydrophobicContact CB-CD1 4.42Å; A102-E129 HydrophobicContact CB-CG 4.02Å; A102-G133 WeakPolarHBondContact CB-O 3.38Å; A102-G133 PolarHBondContact N-O 3.36Å; A102-V135 HydrophobicContact CB-CG2 3.88Å
103A94.6Very high94Very high69 Ų6964.2 Ų64.257%0.5736%0.358SS*.Hα-helixtrans-69.9-41.9177.300000112.3S101 H107S101-A103 PolarHBondContact O-N 3.44Å; S101-A103 PolarHBondContact OG-N 3.13Å; A103-H107 WeakPolarHBondContact O-CB 3.4Å; A103-H107 PolarHBondContact O-N 3.25Å
104E93.1Very high93.9Very high90 Ų9067.5 Ų67.542%0.42137%0.372SS..Hα-helixtrans-65.2-46.5174.8-71.1175.4146.300110.6I100 S101 R106 H107 L108I100-E104 HydrophobicContact CD1-CB 4.48Å; I100-E104 HydrophobicContact CG1-CB 4.26Å; S101-E104 WeakPolarHBondContact CB-OE2 3.48Å; S101-E104 PolarHBondContact O-N 2.9Å; S101-E104 VanDerWaalsContact O-N 3.14Å; E104-R106 PolarHBondContact O-N 2.9Å; E104-H107 WeakPolarHBondContact O-CB 3.34Å; E104-H107 PolarHBondContact O-N 3.14Å; E104-H107 VanDerWaalsContact O-N 3.13Å; E104-L108 WeakPolarHBondContact O-CG 3.48Å; E104-L108 PolarHBondContact O-N 3.18Å
105L94.6Very high94.2Very high0 Ų065.1 Ų65.10%036%0.362CS..Hα-helixtrans-59.8-45.2177.4-177.353.5000111.6F89 I100 S101 H107 L108 L109 L125 V135 F140F89-L105 HydrophobicContact CE1-CD1 3.55Å; F89-L105 HydrophobicContact CZ-CD1 4.08Å; I100-L105 HydrophobicContact CD1-CB 4.37Å; I100-L105 HydrophobicContact CG2-CB 4.21Å; I100-L105 HydrophobicContact CG2-CD2 4.11Å; S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 PolarHBondContact O-N 3.22Å; L105-H107 VanDerWaalsContact C-N 3.34Å; L105-H107 PolarHBondContact O-N 2.94Å; L105-L108 PolarHBondContact O-N 3.03Å; L105-L109 HydrophobicContact CD1-CD1 4.01Å; L105-L109 HydrophobicContact CD1-CG 4.18Å; L105-L109 HydrophobicContact CG-CD1 4.04Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.28Å; L105-L125 HydrophobicContact CD2-CD2 3.47Å; L105-L125 VanDerWaalsContact CD2-CD2 3.47Å; L105-L125 HydrophobicContact CG-CD2 4.13Å; L105-V135 HydrophobicContact CD2-CB 4.42Å; L105-V135 HydrophobicContact CD2-CG1 4.06Å; L105-F140 HydrophobicContact CD1-CE1 4.26Å; L105-F140 HydrophobicContact CD1-CZ 4.36Å; L105-F140 HydrophobicContact CD2-CD1 4.31Å; L105-F140 HydrophobicContact CD2-CD2 3.94Å; L105-F140 HydrophobicContact CD2-CE1 4.46Å; L105-F140 HydrophobicContact CD2-CE2 4.07Å; L105-F140 HydrophobicContact CD2-CG 4.06Å; L105-F140 HydrophobicContact CD2-CZ 4.35Å
106R95.8Very high94.4Very high66 Ų6660.2 Ų60.225%0.24934%0.341CS..Hα-helixtrans-58.9-45.2173.4177.1179.7-58-87.2-3.5111.9A102 E104 L108 L109 T110 D118 V121 D122A102-R106 VanDerWaalsContact O-CB 3.26Å; A102-R106 WeakPolarHBondContact O-CB 3.47Å; A102-R106 PolarHBondContact O-N 3.23Å; E104-R106 PolarHBondContact O-N 2.9Å; R106-L108 VanDerWaalsContact C-N 3.3Å; R106-L108 PolarHBondContact O-N 3.09Å; R106-L109 PolarHBondContact O-N 3.17Å; R106-T110 HydrophobicContact CG-CG2 4.26Å; R106-T110 WeakPolarHBondContact O-CB 3.43Å; R106-T110 VanDerWaalsContact O-CG2 3.31Å; R106-T110 WeakPolarHBondContact O-CG2 3.39Å; R106-T110 PolarHBondContact O-N 3.05Å; R106-T110 PolarHBondContact O-OG1 3.25Å; R106-D118 PolarHBondContact NH1-O 3.45Å; R106-V121 HydrophobicContact CB-CG1 4.04Å; R106-V121 HydrophobicContact CG-CG1 4.04Å; R106-D122 IonicContact CZ-OD1 2.71Å; R106-D122 IonicContact NH1-OD1 3.29Å; R106-D122 PolarHBondContact NH1-OD1 3.45Å; R106-D122 IonicContact NH2-OD1 2.79Å; R106-D122 PolarHBondContact NH2-OD1 2.78Å
107H95.1Very high94.6Very high125 Ų12561.5 Ų61.558%0.57934%0.336SS*.Hα-helixtrans-61.3-41.8179.4-175.863.3000111.5A103 E104 L105 T110 A111A103-H107 WeakPolarHBondContact O-CB 3.4Å; A103-H107 PolarHBondContact O-N 3.25Å; E104-H107 WeakPolarHBondContact O-CB 3.34Å; E104-H107 PolarHBondContact O-N 3.14Å; E104-H107 VanDerWaalsContact O-N 3.13Å; L105-H107 VanDerWaalsContact C-N 3.34Å; L105-H107 PolarHBondContact O-N 2.94Å; H107-T110 PolarHBondContact O-N 3.05Å; H107-T110 PolarHBondContact O-OG1 3.45Å; H107-A111 WeakPolarHBondContact O-CB 3.43Å; H107-A111 PolarHBondContact O-N 3.49Å
108L93.1Very high94.6Very high32 Ų3262.8 Ų62.817%0.16834%0.343CS..Hα-helixtrans-60.2-51.7176.4-68.7169000111.5F92 I100 E104 L105 R106 T110 A111 L112F92-L108 HydrophobicContact CD1-CD1 4.05Å; F92-L108 HydrophobicContact CD2-CD1 3.94Å; F92-L108 HydrophobicContact CE1-CD1 3.67Å; F92-L108 HydrophobicContact CE1-CD2 3.73Å; F92-L108 HydrophobicContact CE1-CG 4.27Å; F92-L108 HydrophobicContact CE2-CD1 3.56Å; F92-L108 HydrophobicContact CE2-CD2 4.44Å; F92-L108 HydrophobicContact CG-CD1 4.19Å; F92-L108 HydrophobicContact CZ-CD1 3.42Å; F92-L108 VanDerWaalsContact CZ-CD1 3.42Å; F92-L108 HydrophobicContact CZ-CD2 3.54Å; F92-L108 HydrophobicContact CZ-CG 4.13Å; I100-L108 HydrophobicContact CD1-CD1 4.14Å; E104-L108 WeakPolarHBondContact O-CG 3.48Å; E104-L108 PolarHBondContact O-N 3.18Å; L105-L108 PolarHBondContact O-N 3.03Å; R106-L108 VanDerWaalsContact C-N 3.3Å; R106-L108 PolarHBondContact O-N 3.09Å; L108-T110 VanDerWaalsContact C-N 3.26Å; L108-T110 PolarHBondContact O-N 2.64Å; L108-A111 PolarHBondContact O-N 3.43Å; L108-L112 HydrophobicContact CD2-CD1 3.73Å; L108-L112 PolarHBondContact O-N 3Å; L108-L112 VanDerWaalsContact O-N 3.1Å
109L94.9Very high94.6Very high38 Ų3866.2 Ų66.220%0.19936%0.357CS..Hα-helixtrans-67.4-23.5-176.3-65.9172.4000113.8L105 R106 L116 V121 F140L105-L109 HydrophobicContact CD1-CD1 4.01Å; L105-L109 HydrophobicContact CD1-CG 4.18Å; L105-L109 HydrophobicContact CG-CD1 4.04Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.28Å; R106-L109 PolarHBondContact O-N 3.17Å; L109-L116 HydrophobicContact CB-CD1 4.29Å; L109-L116 HydrophobicContact CD2-CD1 4.39Å; L109-L116 PolarHBondContact O-N 2.94Å; L109-V121 HydrophobicContact CB-CG2 3.92Å; L109-V121 HydrophobicContact CD1-CG1 4.19Å; L109-V121 HydrophobicContact CD1-CG2 4.34Å; L109-F140 HydrophobicContact CD1-CE2 4.32Å; L109-F140 HydrophobicContact CD1-CZ 3.88Å
110T96.9Very high94.6Very high36 Ų3667 Ų6722%0.22136%0.36CS..Hα-helixtrans-99-18.5-179.855.80000113.5R106 H107 L108 K115 V121R106-T110 HydrophobicContact CG-CG2 4.26Å; R106-T110 WeakPolarHBondContact O-CB 3.43Å; R106-T110 VanDerWaalsContact O-CG2 3.31Å; R106-T110 WeakPolarHBondContact O-CG2 3.39Å; R106-T110 PolarHBondContact O-N 3.05Å; R106-T110 PolarHBondContact O-OG1 3.25Å; H107-T110 PolarHBondContact O-N 3.05Å; H107-T110 PolarHBondContact O-OG1 3.45Å; L108-T110 VanDerWaalsContact C-N 3.26Å; L108-T110 PolarHBondContact O-N 2.64Å; T110-K115 WeakPolarHBondContact O-CD 3.47Å; T110-K115 WeakPolarHBondContact O-CG 3.45Å; T110-V121 HydrophobicContact CG2-CG2 3.9Å
111A94.3Very high94.6Very high38 Ų3866.9 Ų66.931%0.31436%0.359SS..Hα-helixtrans-107.9-29.8-17400000114.5H107 L108 K115H107-A111 WeakPolarHBondContact O-CB 3.43Å; H107-A111 PolarHBondContact O-N 3.49Å; L108-A111 PolarHBondContact O-N 3.43Å; A111-K115 VanDerWaalsContact O-CE 3.31Å; A111-K115 WeakPolarHBondContact O-CE 3.45Å
112L90.7Very high94.6Very high115 Ų11569.1 Ų69.160%0.60237%0.368SS*.SBendtrans-112.8150.5-172.5-58.7179.1000111.8L108L108-L112 HydrophobicContact CD2-CD1 3.73Å; L108-L112 PolarHBondContact O-N 3Å; L108-L112 VanDerWaalsContact O-N 3.1Å
113G90.6Very high94.6Very high74 Ų7474 Ų7476%0.76340%0.397SS*.SBendtrans62.9-139.9174.800000114.1K115G113-K115 PolarHBondContact O-N 3.41Å
114E91.7Very high94.5Very high81 Ų8172.8 Ų72.838%0.37938%0.381SS..SBendtrans-78.5104170.4-63.1-163.9160.100109.4T44 E45 S46 L116T44-E114 WeakPolarHBondContact CB-OE1 3.38Å; T44-E114 WeakPolarHBondContact CB-OE2 3.35Å; E45-E114 PolarHBondContact N-OE1 3.36Å; E45-E114 PolarHBondContact N-OE2 3.38Å; S46-E114 WeakPolarHBondContact CB-OE1 3.44Å; S46-E114 PolarHBondContact N-OE1 3.11Å; S46-E114 PolarHBondContact OG-OE1 2.82Å; E114-L116 PolarHBondContact O-N 3.31Å
115K95.3Very high94.6Very high141 Ų14168.9 Ų68.961%0.61336%0.363SS*.PPolyproline II helixtrans-75.7127-167.2-59.5175-176.1-175.50110.7T110 A111 G113T110-K115 WeakPolarHBondContact O-CD 3.47Å; T110-K115 WeakPolarHBondContact O-CG 3.45Å; A111-K115 VanDerWaalsContact O-CE 3.31Å; A111-K115 WeakPolarHBondContact O-CE 3.45Å; G113-K115 PolarHBondContact O-N 3.41Å
116L95.7Very high94.6Very high54 Ų5472.7 Ų72.728%0.28339%0.389SS..PPolyproline II helixtrans-78.7150.9167.5-60.4-176.7000110.3L109 E114 E120 V121 L124L109-L116 HydrophobicContact CB-CD1 4.29Å; L109-L116 HydrophobicContact CD2-CD1 4.39Å; L109-L116 PolarHBondContact O-N 2.94Å; E114-L116 PolarHBondContact O-N 3.31Å; L116-E120 HydrophobicContact CB-CB 4.19Å; L116-E120 HydrophobicContact CD2-CB 4.5Å; L116-V121 HydrophobicContact CB-CG2 3.78Å; L116-V121 HydrophobicContact CD1-CG2 4.23Å; L116-L124 HydrophobicContact CD1-CD1 3.55Å
117R96.2Very high94.6Very high155 Ų15573.3 Ų73.359%0.58542%0.416SS*.PPolyproline II helixtrans-77.6155.8167.5-61.4170.8-72.9-177.5-1.8109.6N119 E120 V121R117-N119 WeakPolarHBondContact CB-OD1 3.35Å; R117-N119 PolarHBondContact O-N 3.01Å; R117-N119 VanDerWaalsContact O-N 3.14Å; R117-E120 HydrophobicContact CB-CG 4.36Å; R117-E120 VanDerWaalsContact CB-OE2 3.26Å; R117-E120 WeakPolarHBondContact CB-OE2 3.44Å; R117-E120 WeakPolarHBondContact CG-OE2 3.46Å; R117-E120 IonicContact CZ-OE1 2.62Å; R117-E120 IonicContact CZ-OE2 3.71Å; R117-E120 PolarHBondContact N-OE2 2.81Å; R117-E120 VanDerWaalsContact NE-CD 3.26Å; R117-E120 IonicContact NE-OE1 3.4Å; R117-E120 PolarHBondContact NE-OE1 3.4Å; R117-E120 IonicContact NE-OE2 3.89Å; R117-E120 PolarHBondContact NE-OE2 2.99Å; R117-E120 IonicContact NH2-OE1 3.3Å; R117-E120 PolarHBondContact NH2-OE1 3.14Å; R117-E120 IonicContact NH2-OE2 3Å; R117-E120 WeakPolarHBondContact O-CB 3.14Å; R117-E120 PolarHBondContact O-N 3.45Å; R117-V121 PolarHBondContact O-N 2.88Å; R117-V121 VanDerWaalsContact O-N 3.11Å
118D96.1Very high94.6Very high100 Ų10068.5 Ų68.554%0.53539%0.394SS..Hα-helixtrans-53.9-39.6-178.3-71.4-47000113R106 E120 V121 D122R106-D118 PolarHBondContact NH1-O 3.45Å; D118-E120 VanDerWaalsContact C-N 3.35Å; D118-E120 PolarHBondContact O-N 3.46Å; D118-V121 PolarHBondContact O-N 3.33Å; D118-D122 PolarHBondContact O-N 2.94Å
119N96.6Very high94.7Very high89 Ų8972.1 Ų72.148%0.47641%0.41SS..Hα-helixtrans-69.4-30178.667.2-60000113.2R117 V123R117-N119 WeakPolarHBondContact CB-OD1 3.35Å; R117-N119 PolarHBondContact O-N 3.01Å; R117-N119 VanDerWaalsContact O-N 3.14Å; N119-V123 WeakPolarHBondContact O-CG2 3.29Å; N119-V123 PolarHBondContact O-N 3.04Å
120E94.9Very high94.6Very high60 Ų6073 Ų7328%0.2842%0.415SS..Hα-helixtrans-71.5-39.8175-67.9168.4141.500110.1L116 R117 D118 D122 V123 L124L116-E120 HydrophobicContact CB-CB 4.19Å; L116-E120 HydrophobicContact CD2-CB 4.5Å; R117-E120 HydrophobicContact CB-CG 4.36Å; R117-E120 VanDerWaalsContact CB-OE2 3.26Å; R117-E120 WeakPolarHBondContact CB-OE2 3.44Å; R117-E120 WeakPolarHBondContact CG-OE2 3.46Å; R117-E120 IonicContact CZ-OE1 2.62Å; R117-E120 IonicContact CZ-OE2 3.71Å; R117-E120 PolarHBondContact N-OE2 2.81Å; R117-E120 VanDerWaalsContact NE-CD 3.26Å; R117-E120 IonicContact NE-OE1 3.4Å; R117-E120 PolarHBondContact NE-OE1 3.4Å; R117-E120 IonicContact NE-OE2 3.89Å; R117-E120 PolarHBondContact NE-OE2 2.99Å; R117-E120 IonicContact NH2-OE1 3.3Å; R117-E120 PolarHBondContact NH2-OE1 3.14Å; R117-E120 IonicContact NH2-OE2 3Å; R117-E120 WeakPolarHBondContact O-CB 3.14Å; R117-E120 PolarHBondContact O-N 3.45Å; D118-E120 VanDerWaalsContact C-N 3.35Å; D118-E120 PolarHBondContact O-N 3.46Å; E120-D122 VanDerWaalsContact C-N 3.35Å; E120-V123 PolarHBondContact O-N 2.95Å; E120-L124 WeakPolarHBondContact O-CG 3.44Å; E120-L124 PolarHBondContact O-N 3.09Å; E120-L124 VanDerWaalsContact O-N 3.17Å
121V96Very high94.5Very high0 Ų077.6 Ų77.60%045%0.449CS..Hα-helixtrans-63.8-41.2173.1-179.20000111.2R106 L109 T110 L116 R117 D118 V123 L124 L125R106-V121 HydrophobicContact CB-CG1 4.04Å; R106-V121 HydrophobicContact CG-CG1 4.04Å; L109-V121 HydrophobicContact CB-CG2 3.92Å; L109-V121 HydrophobicContact CD1-CG1 4.19Å; L109-V121 HydrophobicContact CD1-CG2 4.34Å; T110-V121 HydrophobicContact CG2-CG2 3.9Å; L116-V121 HydrophobicContact CB-CG2 3.78Å; L116-V121 HydrophobicContact CD1-CG2 4.23Å; R117-V121 PolarHBondContact O-N 2.88Å; R117-V121 VanDerWaalsContact O-N 3.11Å; D118-V121 PolarHBondContact O-N 3.33Å; V121-V123 VanDerWaalsContact C-N 3.27Å; V121-V123 PolarHBondContact O-N 3.33Å; V121-L124 PolarHBondContact O-N 3.01Å; V121-L124 VanDerWaalsContact O-N 3.16Å; V121-L125 HydrophobicContact CG1-CD1 3.68Å; V121-L125 HydrophobicContact CG1-CG 3.96Å; V121-L125 WeakPolarHBondContact O-CG 3.49Å; V121-L125 PolarHBondContact O-N 3.03Å
122D95.3Very high94.5Very high82 Ų8283 Ų8344%0.43947%0.468SS..Hα-helixtrans-57.2-41.9176.9-67.5-19.3000111.9R106 D118 E120 S126R106-D122 IonicContact CZ-OD1 2.71Å; R106-D122 IonicContact NH1-OD1 3.29Å; R106-D122 PolarHBondContact NH1-OD1 3.45Å; R106-D122 IonicContact NH2-OD1 2.79Å; R106-D122 PolarHBondContact NH2-OD1 2.78Å; D118-D122 PolarHBondContact O-N 2.94Å; E120-D122 VanDerWaalsContact C-N 3.35Å; D122-S126 WeakPolarHBondContact O-CB 3.48Å; D122-S126 PolarHBondContact O-N 3.28Å
123V94.5Very high94.7Very high109 Ų10978.3 Ų78.366%0.66145%0.447SS*.Hα-helixtrans-63.9-44.7177.3172.20000110.9N119 E120 V121 S126N119-V123 WeakPolarHBondContact O-CG2 3.29Å; N119-V123 PolarHBondContact O-N 3.04Å; E120-V123 PolarHBondContact O-N 2.95Å; V121-V123 VanDerWaalsContact C-N 3.27Å; V121-V123 PolarHBondContact O-N 3.33Å; V123-S126 WeakPolarHBondContact O-CB 3.45Å; V123-S126 PolarHBondContact O-N 3.05Å
124L93.6Very high94.9Very high44 Ų4477 Ų7723%0.2342%0.422CS..Hα-helixtrans-65.7-41.3-179.8-69.6176.4000112.8L116 E120 V121 S126 F140 R143 V144L116-L124 HydrophobicContact CD1-CD1 3.55Å; E120-L124 WeakPolarHBondContact O-CG 3.44Å; E120-L124 PolarHBondContact O-N 3.09Å; E120-L124 VanDerWaalsContact O-N 3.17Å; V121-L124 PolarHBondContact O-N 3.01Å; V121-L124 VanDerWaalsContact O-N 3.16Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-F140 HydrophobicContact CB-CE2 4.02Å; L124-R143 WeakPolarHBondContact O-CD 3.17Å; L124-V144 HydrophobicContact CD2-CG2 4.27Å
125L94.6Very high95.2Very high8 Ų873.1 Ų73.14%0.04240%0.404CS..Hα-helixtrans-82.2-11-177.7-60.4-173.4000113.6A102 L105 V121 G127 L128 V135 F140A102-L125 HydrophobicContact CB-CD1 4.42Å; L105-L125 HydrophobicContact CD2-CD2 3.47Å; L105-L125 VanDerWaalsContact CD2-CD2 3.47Å; L105-L125 HydrophobicContact CG-CD2 4.13Å; V121-L125 HydrophobicContact CG1-CD1 3.68Å; V121-L125 HydrophobicContact CG1-CG 3.96Å; V121-L125 WeakPolarHBondContact O-CG 3.49Å; V121-L125 PolarHBondContact O-N 3.03Å; L125-G127 PolarHBondContact O-N 2.92Å; L125-G127 VanDerWaalsContact O-N 3.12Å; L125-L128 PolarHBondContact O-N 3.18Å; L125-V135 HydrophobicContact CD2-CG2 4.39Å; L125-F140 HydrophobicContact CD2-CD2 3.83Å; L125-F140 HydrophobicContact CD2-CE2 3.8Å
126S94.5Very high95.2Very high80 Ų8068.7 Ų68.756%0.55939%0.39SS*.THydrogen-bonded Turntrans-52.6118.4-176.6-173.40000112.4D122 V123 L124 L128 R143D122-S126 WeakPolarHBondContact O-CB 3.48Å; D122-S126 PolarHBondContact O-N 3.28Å; V123-S126 WeakPolarHBondContact O-CB 3.45Å; V123-S126 PolarHBondContact O-N 3.05Å; L124-S126 VanDerWaalsContact C-N 3.32Å; S126-L128 VanDerWaalsContact C-N 3.27Å; S126-L128 PolarHBondContact O-N 2.99Å; S126-R143 PolarHBondContact O-NH1 2.91Å
127G95.1Very high95.2Very high78 Ų7866.4 Ų66.480%0.80438%0.377SS*.THydrogen-bonded Turntrans73.35.2178.700000116.1L125L125-G127 PolarHBondContact O-N 2.92Å; L125-G127 VanDerWaalsContact O-N 3.12Å
128L96Very high95.2Very high25 Ų2563.5 Ų63.513%0.13137%0.371CS..THydrogen-bonded Turntrans-92.6-28.5173-64.7177.6000112.9L125 S126 N130 V135 P136 A139 F140 R143L125-L128 PolarHBondContact O-N 3.18Å; S126-L128 VanDerWaalsContact C-N 3.27Å; S126-L128 PolarHBondContact O-N 2.99Å; L128-N130 PolarHBondContact O-N 2.99Å; L128-V135 HydrophobicContact CB-CG1 4.05Å; L128-V135 HydrophobicContact CD1-CG1 4.35Å; L128-P136 WeakPolarHBondContact O-CD 3.26Å; L128-A139 HydrophobicContact CD2-CB 4.12Å; L128-F140 HydrophobicContact CD1-CB 3.99Å; L128-F140 HydrophobicContact CD1-CD2 3.96Å; L128-F140 HydrophobicContact CD1-CG 4.49Å; L128-R143 VanDerWaalsContact CG-NH1 3.29Å
129E94.9Very high95.2Very high107 Ų10760.4 Ų60.450%0.536%0.359SS..  trans-70.5125.6-177.9-169.1177161.300110.8A102 G133 L134 V135A102-E129 HydrophobicContact CB-CG 4.02Å; E129-G133 WeakPolarHBondContact OE1-CA 3.33Å; E129-L134 WeakPolarHBondContact CA-O 3.46Å; E129-V135 HydrophobicContact CB-CG2 4.34Å
130N94Very high95.1Very high57 Ų5756.4 Ų56.431%0.30534%0.337SS..  trans-81.9178.8175.473.615.4000111.6L128 Q132 G133 L134L128-N130 PolarHBondContact O-N 2.99Å; N130-Q132 PolarHBondContact O-N 3.31Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.4Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.41Å; N130-Q132 PolarHBondContact OD1-N 3.12Å; N130-G133 PolarHBondContact O-N 2.78Å; N130-G133 PolarHBondContact OD1-N 3.07Å; N130-L134 PolarHBondContact N-O 2.84Å; N130-L134 PolarHBondContact OD1-N 3.36Å; N130-L134 PolarHBondContact OD1-O 3.18Å
131S93.6Very high95.1Very high132 Ų13253.5 Ų53.592%0.92332%0.324SS*.THydrogen-bonded Turntrans-63-9.7-179.156.10000115.3
132Q93.7Very high95Very high153 Ų15358.5 Ų58.572%0.71535%0.347SS*.THydrogen-bonded Turntrans-103.51.4178.2-57-173.9-71.600113N130 L134N130-Q132 PolarHBondContact O-N 3.31Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.4Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.41Å; N130-Q132 PolarHBondContact OD1-N 3.12Å; Q132-L134 HydrophobicContact CB-CD1 4.31Å; Q132-L134 HydrophobicContact CB-CG 4.23Å
133G95.1Very high94.8Very high16 Ų1659.9 Ų59.917%0.16535%0.346CS..SBendtrans78.323.4-176.900000114.5A102 E129 N130A102-G133 WeakPolarHBondContact CB-O 3.38Å; A102-G133 PolarHBondContact N-O 3.36Å; E129-G133 WeakPolarHBondContact OE1-CA 3.33Å; N130-G133 PolarHBondContact O-N 2.78Å; N130-G133 PolarHBondContact OD1-N 3.07Å
134L96.4Very high94.7Very high45 Ų4557.7 Ų57.724%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-108.1145.5179.9-55.3176.1000110.6L99 I100 E129 N130 Q132L99-L134 HydrophobicContact CB-CB 4.26Å; L99-L134 HydrophobicContact CD1-CB 4.36Å; L99-L134 HydrophobicContact CD1-CD1 3.89Å; I100-L134 WeakPolarHBondContact O-CA 3.41Å; E129-L134 WeakPolarHBondContact CA-O 3.46Å; N130-L134 PolarHBondContact N-O 2.84Å; N130-L134 PolarHBondContact OD1-N 3.36Å; N130-L134 PolarHBondContact OD1-O 3.18Å; Q132-L134 HydrophobicContact CB-CD1 4.31Å; Q132-L134 HydrophobicContact CB-CG 4.23Å
135V96.9Very high94.5Very high0 Ų059.1 Ų59.10%034%0.339CS..EExtended strand (participates in β ladder)trans-119125.8-177.9173.70000108.6L99 I100 A102 L105 L125 L128 E129 Y137 F140L99-V135 WeakPolarHBondContact CA-O 3.31Å; I100-V135 HydrophobicContact CG2-CB 4.28Å; I100-V135 PolarHBondContact N-O 3.33Å; I100-V135 PolarHBondContact O-N 3.29Å; A102-V135 HydrophobicContact CB-CG2 3.88Å; L105-V135 HydrophobicContact CD2-CB 4.42Å; L105-V135 HydrophobicContact CD2-CG1 4.06Å; L125-V135 HydrophobicContact CD2-CG2 4.39Å; L128-V135 HydrophobicContact CB-CG1 4.05Å; L128-V135 HydrophobicContact CD1-CG1 4.35Å; E129-V135 HydrophobicContact CB-CG2 4.34Å; V135-Y137 PolarHBondContact O-N 2.73Å; V135-F140 HydrophobicContact CG1-CB 4.04Å
136P96.6Very high93.9Very high49 Ų4965.7 Ų65.732%0.31839%0.386SS..EExtended strand (participates in β ladder)trans-67.1110.7167.6-14.328.4000109.8G98 L99 L128 E138 A139 F140G98-P136 WeakPolarHBondContact O-CA 3.38Å; L99-P136 HydrophobicContact CD2-CB 4.04Å; L99-P136 HydrophobicContact CD2-CG 3.86Å; L128-P136 WeakPolarHBondContact O-CD 3.26Å; P136-E138 VanDerWaalsContact C-N 3.27Å; P136-E138 PolarHBondContact O-N 2.81Å; P136-A139 HydrophobicContact CB-CB 4.08Å; P136-A139 PolarHBondContact O-N 3.29Å; P136-A139 VanDerWaalsContact O-N 3.14Å; P136-F140 PolarHBondContact O-N 2.86Å
137Y95.3Very high93.8Very high5 Ų565 Ų652%0.0238%0.377CS..Hα-helixtrans-69.3-25.9-172.857.5-106.2000112.5I86 F89 D93 G98 V135 F140 V141I86-Y137 HydrophobicContact CG2-CD2 4.01Å; I86-Y137 HydrophobicContact CG2-CE2 3.66Å; F89-Y137 HydrophobicContact CB-CD1 4.12Å; F89-Y137 HydrophobicContact CB-CD2 3.79Å; F89-Y137 HydrophobicContact CB-CE2 4.41Å; F89-Y137 HydrophobicContact CB-CG 3.65Å; F89-Y137 HydrophobicContact CG-CG 4.26Å; D93-Y137 HydrophobicContact CB-CE1 3.81Å; G98-Y137 VanDerWaalsContact C-CD1 3.47Å; G98-Y137 VanDerWaalsContact CA-CE1 3.4Å; G98-Y137 VanDerWaalsContact O-CD1 3.26Å; G98-Y137 WeakPolarHBondContact O-CD1 3.27Å; G98-Y137 WeakPolarHBondContact O-CE1 3.46Å; G98-Y137 PolarHBondContact O-N 3.12Å; V135-Y137 PolarHBondContact O-N 2.73Å; Y137-F140 WeakPolarHBondContact O-CB 3.33Å; Y137-F140 PolarHBondContact O-N 3.3Å; Y137-V141 WeakPolarHBondContact O-CG2 3.43Å; Y137-V141 PolarHBondContact O-N 2.94Å
138E95.3Very high93.8Very high95 Ų9564.3 Ų64.344%0.44435%0.354SS..Hα-helixtrans-62.7-44.1171.2-65.5-174.3177.500111.6I86 P136 F140 V141 Q142I86-E138 HydrophobicContact CD1-CB 4.43Å; I86-E138 HydrophobicContact CD1-CG 4.19Å; I86-E138 HydrophobicContact CG1-CG 4.45Å; I86-E138 HydrophobicContact CG2-CG 3.84Å; P136-E138 VanDerWaalsContact C-N 3.27Å; P136-E138 PolarHBondContact O-N 2.81Å; E138-F140 VanDerWaalsContact C-N 3.33Å; E138-V141 PolarHBondContact O-N 3.19Å; E138-Q142 WeakPolarHBondContact O-CB 3.19Å; E138-Q142 WeakPolarHBondContact O-CG 3.42Å; E138-Q142 PolarHBondContact O-N 3.21Å
139A95.4Very high93.6Very high35 Ų3566.4 Ų66.429%0.28937%0.367SS..Hα-helixtrans-68-35.3176.600000111.6L128 P136 R143L128-A139 HydrophobicContact CD2-CB 4.12Å; P136-A139 HydrophobicContact CB-CB 4.08Å; P136-A139 PolarHBondContact O-N 3.29Å; P136-A139 VanDerWaalsContact O-N 3.14Å; A139-R143 WeakPolarHBondContact O-CB 3.38Å; A139-R143 PolarHBondContact O-N 3.33Å
140F96Very high93.6Very high4 Ų464.1 Ų64.12%0.01836%0.359CS..Hα-helixtrans-61.6-51172.3174.7-99.2000111.6F89 L105 L109 L124 L125 L128 V135 P136 Y137 E138 Q142 R143 V144F89-F140 HydrophobicContact CE2-CD1 4.17Å; F89-F140 HydrophobicContact CE2-CE1 4.29Å; F89-F140 AromaticContact CZ-CD1 3.99Å; F89-F140 HydrophobicContact CZ-CD1 3.99Å; F89-F140 AromaticContact CZ-CE1 3.81Å; F89-F140 HydrophobicContact CZ-CE1 3.81Å; L105-F140 HydrophobicContact CD1-CE1 4.26Å; L105-F140 HydrophobicContact CD1-CZ 4.36Å; L105-F140 HydrophobicContact CD2-CD1 4.31Å; L105-F140 HydrophobicContact CD2-CD2 3.94Å; L105-F140 HydrophobicContact CD2-CE1 4.46Å; L105-F140 HydrophobicContact CD2-CE2 4.07Å; L105-F140 HydrophobicContact CD2-CG 4.06Å; L105-F140 HydrophobicContact CD2-CZ 4.35Å; L109-F140 HydrophobicContact CD1-CE2 4.32Å; L109-F140 HydrophobicContact CD1-CZ 3.88Å; L124-F140 HydrophobicContact CB-CE2 4.02Å; L125-F140 HydrophobicContact CD2-CD2 3.83Å; L125-F140 HydrophobicContact CD2-CE2 3.8Å; L128-F140 HydrophobicContact CD1-CB 3.99Å; L128-F140 HydrophobicContact CD1-CD2 3.96Å; L128-F140 HydrophobicContact CD1-CG 4.49Å; V135-F140 HydrophobicContact CG1-CB 4.04Å; P136-F140 PolarHBondContact O-N 2.86Å; Y137-F140 WeakPolarHBondContact O-CB 3.33Å; Y137-F140 PolarHBondContact O-N 3.3Å; E138-F140 VanDerWaalsContact C-N 3.33Å; F140-Q142 PolarHBondContact O-N 2.9Å; F140-R143 WeakPolarHBondContact O-CB 3.46Å; F140-R143 PolarHBondContact O-N 3.36Å; F140-R143 VanDerWaalsContact O-N 3.14Å; F140-V144 HydrophobicContact CD1-CG2 4.4Å; F140-V144 HydrophobicContact CE1-CG2 3.96Å; F140-V144 HydrophobicContact CE2-CG2 4.13Å; F140-V144 HydrophobicContact CZ-CG2 3.81Å; F140-V144 WeakPolarHBondContact O-CG2 3.42Å; F140-V144 PolarHBondContact O-N 2.95Å
141V94.6Very high93.6Very high0 Ų064.5 Ų64.50%036%0.362CS..Hα-helixtrans-61.2-44.3178.6171.10000111Q82 F85 I86 F89 Y137 E138 R143 V144 M145Q82-V141 HydrophobicContact CG-CG1 3.87Å; F85-V141 HydrophobicContact CB-CG1 4.04Å; F85-V141 HydrophobicContact CD1-CB 4.45Å; F85-V141 HydrophobicContact CD1-CG1 3.61Å; F85-V141 HydrophobicContact CD1-CG2 4.15Å; F85-V141 HydrophobicContact CD2-CG2 4.16Å; F85-V141 HydrophobicContact CE1-CG1 4.26Å; F85-V141 HydrophobicContact CE1-CG2 4.38Å; F85-V141 HydrophobicContact CE2-CG2 4.39Å; F85-V141 HydrophobicContact CG-CG1 3.93Å; F85-V141 HydrophobicContact CG-CG2 4.02Å; F85-V141 HydrophobicContact CZ-CG2 4.5Å; I86-V141 HydrophobicContact CG1-CB 3.92Å; I86-V141 HydrophobicContact CG1-CG1 3.9Å; I86-V141 HydrophobicContact CG1-CG2 4.04Å; F89-V141 HydrophobicContact CD2-CG2 3.84Å; F89-V141 HydrophobicContact CE2-CG2 3.63Å; Y137-V141 WeakPolarHBondContact O-CG2 3.43Å; Y137-V141 PolarHBondContact O-N 2.94Å; E138-V141 PolarHBondContact O-N 3.19Å; V141-R143 VanDerWaalsContact C-N 3.28Å; V141-R143 PolarHBondContact O-N 3.42Å; V141-V144 PolarHBondContact O-N 3.45Å; V141-V144 VanDerWaalsContact O-N 3.09Å; V141-M145 HydrophobicContact CG1-CG 4.26Å; V141-M145 HydrophobicContact CG1-SD 3.67Å; V141-M145 WeakPolarHBondContact O-CG 3.44Å; V141-M145 PolarHBondContact O-N 3.34Å
142Q93.2Very high93.6Very high104 Ų10460 Ų6049%0.48633%0.325SS..Hα-helixtrans-57.9-40175.2-76.7177.38.800112.4E138 F140 M145 S146E138-Q142 WeakPolarHBondContact O-CB 3.19Å; E138-Q142 WeakPolarHBondContact O-CG 3.42Å; E138-Q142 PolarHBondContact O-N 3.21Å; F140-Q142 PolarHBondContact O-N 2.9Å; Q142-M145 PolarHBondContact O-N 3.08Å; Q142-S146 VanDerWaalsContact O-CB 3.29Å; Q142-S146 WeakPolarHBondContact O-CB 3.49Å; Q142-S146 PolarHBondContact O-N 3.14Å
143R92.5Very high93.5Very high112 Ų11253.4 Ų53.442%0.42330%0.297SS..Hα-helixtrans-67.1-35.7175.3167.9161.7-73.9156.5-0.8112.9L124 S126 L128 A139 F140 V141 M145 S146L124-R143 WeakPolarHBondContact O-CD 3.17Å; S126-R143 PolarHBondContact O-NH1 2.91Å; L128-R143 VanDerWaalsContact CG-NH1 3.29Å; A139-R143 WeakPolarHBondContact O-CB 3.38Å; A139-R143 PolarHBondContact O-N 3.33Å; F140-R143 WeakPolarHBondContact O-CB 3.46Å; F140-R143 PolarHBondContact O-N 3.36Å; F140-R143 VanDerWaalsContact O-N 3.14Å; V141-R143 VanDerWaalsContact C-N 3.28Å; V141-R143 PolarHBondContact O-N 3.42Å; R143-M145 VanDerWaalsContact C-N 3.34Å; R143-S146 PolarHBondContact O-OG 2.92Å
144V91.8Very high93.4Very high62 Ų6256.2 Ų56.238%0.37631%0.307SS..Hα-helixtrans-72.3-32.2178.61730000111.3F85 L124 F140 V141F85-V144 HydrophobicContact CE1-CB 4.5Å; F85-V144 HydrophobicContact CE1-CG1 4.04Å; L124-V144 HydrophobicContact CD2-CG2 4.27Å; F140-V144 HydrophobicContact CD1-CG2 4.4Å; F140-V144 HydrophobicContact CE1-CG2 3.96Å; F140-V144 HydrophobicContact CE2-CG2 4.13Å; F140-V144 HydrophobicContact CZ-CG2 3.81Å; F140-V144 WeakPolarHBondContact O-CG2 3.42Å; F140-V144 PolarHBondContact O-N 2.95Å; V141-V144 PolarHBondContact O-N 3.45Å; V141-V144 VanDerWaalsContact O-N 3.09Å
145M89.3Confident93.2Very high74 Ų7457.2 Ų57.237%0.36531%0.313SS..Hα-helixtrans-96.9-3.9-176-63.9-175.871.400114.8V80 Q82 F85 V141 Q142 R143V80-M145 WeakPolarHBondContact O-CE 3.42Å; Q82-M145 HydrophobicContact CB-CE 3.91Å; Q82-M145 HydrophobicContact CB-SD 3.75Å; Q82-M145 HydrophobicContact CG-CE 4.47Å; Q82-M145 HydrophobicContact CG-SD 3.72Å; F85-M145 HydrophobicContact CD1-CG 4.26Å; F85-M145 HydrophobicContact CD1-SD 3.88Å; V141-M145 HydrophobicContact CG1-CG 4.26Å; V141-M145 HydrophobicContact CG1-SD 3.67Å; V141-M145 WeakPolarHBondContact O-CG 3.44Å; V141-M145 PolarHBondContact O-N 3.34Å; Q142-M145 PolarHBondContact O-N 3.08Å; R143-M145 VanDerWaalsContact C-N 3.34Å
146S81.2Confident92.8Very high146 Ų14662.4 Ų62.4100%1.02134%0.342SS*.  trans-80.90178.366.90000112.7Q142 R143Q142-S146 VanDerWaalsContact O-CB 3.29Å; Q142-S146 WeakPolarHBondContact O-CB 3.49Å; Q142-S146 PolarHBondContact O-N 3.14Å; R143-S146 PolarHBondContact O-OG 2.92Å

Retrieved 146 of 146 residues in 90.4 ms (Link to these results)

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