A0A087XWA0_POEFO Loading...

Adaptor related protein complex 5 subunit sigma 1

AlphaFold DB , UniProt , Accession A0A087XWA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 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
1M86Confident89.1Confident49 Ų4910 Ų1024%0.2415%0.052CC..  0144.20-175.8-177.872.900109.2R3 E127 D130 G177M1-R3 PolarHBondContact O-N 2.87Å; M1-E127 VanDerWaalsContact N-CD 3.3Å; M1-E127 PolarHBondContact N-OE2 2.79Å; M1-E127 WeakPolarHBondContact O-CG 3.3Å; M1-E127 PolarHBondContact O-N 2.88Å; M1-D130 WeakPolarHBondContact CA-OD1 3.23Å; M1-D130 VanDerWaalsContact CA-OD2 3.24Å; M1-D130 WeakPolarHBondContact CA-OD2 3.49Å; M1-D130 PolarHBondContact N-OD1 2.93Å; M1-D130 PolarHBondContact N-OD2 3.48Å; M1-G177 VanDerWaalsContact CG-O 3.25Å; M1-G177 WeakPolarHBondContact CG-O 3.24Å
2V89.5Confident87.1Confident0 Ų018.3 Ų18.30%011%0.107CC..EExtended strand (participates in β ladder)trans-66.4127.6171.4-176.60000108.7C4 F29 L124 V125 L174 G177 L179V2-C4 WeakPolarHBondContact CG1-O 3.49Å; V2-F29 HydrophobicContact CG1-CD2 4.2Å; V2-F29 HydrophobicContact CG1-CE2 4.46Å; V2-F29 VanDerWaalsContact O-CB 3.24Å; V2-F29 WeakPolarHBondContact O-CB 3.45Å; V2-L124 HydrophobicContact CG1-CB 4.43Å; V2-L124 HydrophobicContact CG1-CD2 3.67Å; V2-V125 CarbonylContact C-O 3.52Å; V2-V125 VanDerWaalsContact CA-O 3.32Å; V2-V125 WeakPolarHBondContact CA-O 3.34Å; V2-V125 WeakPolarHBondContact CG1-O 3.33Å; V2-L174 HydrophobicContact CB-CD1 4.35Å; V2-L174 HydrophobicContact CB-CD2 3.87Å; V2-L174 HydrophobicContact CG1-CD2 3.89Å; V2-L174 HydrophobicContact CG2-CD1 3.72Å; V2-L174 HydrophobicContact CG2-CD2 3.97Å; V2-L174 HydrophobicContact CG2-CG 4.4Å; V2-G177 WeakPolarHBondContact CB-O 3.4Å; V2-G177 PolarHBondContact N-O 3.38Å; V2-L179 HydrophobicContact CG2-CD1 4.49Å; V2-L179 HydrophobicContact CG2-CD2 3.8Å; V2-L179 HydrophobicContact CG2-CG 3.95Å
3R89.9Confident85Confident27 Ų2720.9 Ų20.910%0.10212%0.123CC..EExtended strand (participates in β ladder)trans-89.3-34.4177.9-60.6-65.5-62176.25.7112.6M1 F29 P31 M110 V125 E127M1-R3 PolarHBondContact O-N 2.87Å; R3-F29 PolarHBondContact O-N 2.88Å; R3-P31 PolarHBondContact NH2-O 2.85Å; R3-M110 HydrophobicContact CG-CE 3.72Å; R3-M110 HydrophobicContact CG-SD 4.11Å; R3-V125 HydrophobicContact CB-CB 4.48Å; R3-V125 HydrophobicContact CB-CG1 4.34Å; R3-V125 PolarHBondContact N-O 3.38Å; R3-E127 WeakPolarHBondContact CD-OE1 3.48Å; R3-E127 HydrophobicContact CG-CG 4.16Å; R3-E127 IonicContact NH1-OE1 4Å
4C91.8Very high82.8Confident2 Ų225.9 Ų25.91%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-151.8141.3-176.3-174.40000111.8V2 R27 L28 L124 V125V2-C4 WeakPolarHBondContact CG1-O 3.49Å; C4-R27 CarbonylContact C-O 3.49Å; C4-R27 VanDerWaalsContact CA-O 3.3Å; C4-R27 WeakPolarHBondContact CA-O 3.37Å; C4-R27 PolarHBondContact SG-O 2.9Å; C4-R27 VanDerWaalsContact SG-O 3.38Å; C4-L28 HydrophobicContact CB-CD2 3.86Å; C4-L124 WeakPolarHBondContact O-CA 3.48Å; C4-V125 HydrophobicContact CB-CB 4.13Å; C4-V125 HydrophobicContact CB-CG2 3.97Å; C4-V125 PolarHBondContact O-N 3.27Å
5F94.4Very high81Confident0 Ų030.5 Ų30.50%022%0.221CC..EExtended strand (participates in β ladder)trans-115.9136.7161.3171.7-100.2000109.1I7 Y25 S26 R27 F29 F122 T123 L124 L139 L142 I166 L170F5-I7 HydrophobicContact CE1-CD1 3.96Å; F5-I7 HydrophobicContact CE1-CG1 3.75Å; F5-I7 HydrophobicContact CZ-CD1 3.99Å; F5-I7 HydrophobicContact CZ-CG1 3.69Å; F5-Y25 AromaticContact CD1-CD1 3.98Å; F5-Y25 HydrophobicContact CD1-CD1 3.98Å; F5-Y25 AromaticContact CD1-CE1 3.78Å; F5-Y25 HydrophobicContact CD1-CE1 3.78Å; F5-Y25 AromaticContact CE1-CD1 3.91Å; F5-Y25 HydrophobicContact CE1-CD1 3.91Å; F5-Y25 AromaticContact CE1-CE1 3.97Å; F5-Y25 HydrophobicContact CE1-CE1 3.97Å; F5-S26 CarbonylContact O-C 3.56Å; F5-S26 WeakPolarHBondContact O-CA 3.22Å; F5-R27 PolarHBondContact N-O 3.25Å; F5-R27 PolarHBondContact O-N 2.82Å; F5-F29 HydrophobicContact CB-CE2 3.91Å; F5-F122 HydrophobicContact CE2-CD1 4.4Å; F5-F122 HydrophobicContact CZ-CD1 4.07Å; F5-T123 WeakPolarHBondContact CA-O 3.41Å; F5-T123 WeakPolarHBondContact CD2-O 3.46Å; F5-L124 HydrophobicContact CB-CD2 3.81Å; F5-L124 HydrophobicContact CD2-CD2 3.61Å; F5-L124 HydrophobicContact CD2-CG 4.19Å; F5-L124 HydrophobicContact CG-CD2 4.16Å; F5-L139 HydrophobicContact CD2-CD1 4.42Å; F5-L139 HydrophobicContact CE2-CD1 3.97Å; F5-L142 HydrophobicContact CD2-CD1 4.36Å; F5-L142 HydrophobicContact CE2-CD1 4.23Å; F5-I166 HydrophobicContact CE1-CG2 4.02Å; F5-L170 HydrophobicContact CB-CD2 4.18Å; F5-L170 HydrophobicContact CD1-CD1 3.56Å; F5-L170 HydrophobicContact CD1-CD2 3.76Å; F5-L170 HydrophobicContact CD1-CG 4.22Å; F5-L170 HydrophobicContact CD2-CD2 4.42Å; F5-L170 HydrophobicContact CE1-CD1 4.07Å; F5-L170 HydrophobicContact CE1-CD2 4.18Å; F5-L170 HydrophobicContact CG-CD1 4.32Å; F5-L170 HydrophobicContact CG-CD2 3.86Å
6L94.1Very high79.6Confident1 Ų131.9 Ų31.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-143.8150.617859.287.5000111.9H8 Y25 V56 V59 A60 T123L6-H8 HydrophobicContact CD1-CB 4.39Å; L6-H8 WeakPolarHBondContact CD1-CD2 3.45Å; L6-Y25 CarbonylContact C-O 3.52Å; L6-Y25 VanDerWaalsContact CA-O 3.26Å; L6-Y25 WeakPolarHBondContact CA-O 3.35Å; L6-Y25 WeakPolarHBondContact CB-O 3.43Å; L6-V56 HydrophobicContact CB-CG1 4.41Å; L6-V56 HydrophobicContact CD2-CG1 3.81Å; L6-V59 HydrophobicContact CD2-CB 4.1Å; L6-V59 HydrophobicContact CD2-CG1 3.86Å; L6-A60 HydrophobicContact CD1-CB 4.45Å; L6-T123 VanDerWaalsContact CD1-CB 3.48Å; L6-T123 HydrophobicContact CD1-CG2 4.11Å; L6-T123 HydrophobicContact CG-CG2 4.19Å; L6-T123 PolarHBondContact N-O 3.25Å; L6-T123 PolarHBondContact O-N 3.14Å
7I93.2Very high78.5Confident0 Ų035.4 Ų35.40%024%0.244CC..EExtended strand (participates in β ladder)trans-120.6126.2171.2-53.7174.7000107F5 L24 Y25 G121 F122 V159 I166F5-I7 HydrophobicContact CE1-CD1 3.96Å; F5-I7 HydrophobicContact CE1-CG1 3.75Å; F5-I7 HydrophobicContact CZ-CD1 3.99Å; F5-I7 HydrophobicContact CZ-CG1 3.69Å; I7-L24 PolarHBondContact O-N 2.92Å; I7-Y25 PolarHBondContact N-O 3.13Å; I7-Y25 PolarHBondContact O-N 3.47Å; I7-Y25 VanDerWaalsContact O-N 3.08Å; I7-G121 WeakPolarHBondContact CA-O 3.34Å; I7-F122 HydrophobicContact CD1-CD1 4.06Å; I7-F122 HydrophobicContact CD1-CE1 3.68Å; I7-F122 HydrophobicContact CG1-CD1 3.86Å; I7-F122 HydrophobicContact CG1-CE1 3.96Å; I7-F122 HydrophobicContact CG2-CE1 4.4Å; I7-V159 HydrophobicContact CB-CG1 4.16Å; I7-V159 HydrophobicContact CD1-CG1 4.05Å; I7-V159 HydrophobicContact CG2-CG1 4.05Å; I7-V159 HydrophobicContact CG2-CG2 4.16Å; I7-I166 HydrophobicContact CD1-CD1 3.92Å
8H92Very high77.6Confident0 Ų039.3 Ų39.30%028%0.279CS..EExtended strand (participates in β ladder)trans-143.9168.6-176.870.596.6000112.1L6 V10 S21 R22 A60 V63 L120 G121 T123L6-H8 HydrophobicContact CD1-CB 4.39Å; L6-H8 WeakPolarHBondContact CD1-CD2 3.45Å; H8-V10 VanDerWaalsContact CE1-CG1 3.43Å; H8-V10 WeakPolarHBondContact CE1-CG1 3.23Å; H8-S21 PolarHBondContact ND1-OG 3.22Å; H8-R22 CarbonylContact C-O 3.55Å; H8-R22 VanDerWaalsContact CA-O 3.22Å; H8-R22 WeakPolarHBondContact CA-O 3.31Å; H8-R22 WeakPolarHBondContact CB-O 3.18Å; H8-A60 HydrophobicContact CB-CB 4.14Å; H8-A60 PolarHBondContact CE1-O 3.46Å; H8-A60 VanDerWaalsContact CE1-O 3.28Å; H8-V63 WeakPolarHBondContact NE2-CG1 3.32Å; H8-L120 CarbonylContact O-C 3.57Å; H8-L120 WeakPolarHBondContact O-CA 3.49Å; H8-G121 PolarHBondContact CD2-O 3.21Å; H8-G121 VanDerWaalsContact CD2-O 3.31Å; H8-G121 PolarHBondContact N-O 3.11Å; H8-G121 PolarHBondContact O-N 3.48Å; H8-T123 PolarHBondContact NE2-OG1 3.05Å
9T89.3Confident76.9Confident4 Ų438.9 Ų38.93%0.02528%0.282CS..EExtended strand (participates in β ladder)trans-81.6133.2175.961.70000110.7V13 S21 R22 L24 S119T9-V13 HydrophobicContact CG2-CG2 3.87Å; T9-S21 PolarHBondContact O-OG 2.98Å; T9-R22 HydrophobicContact CG2-CB 4.16Å; T9-R22 PolarHBondContact N-O 3.23Å; T9-R22 PolarHBondContact OG1-N 3.07Å; T9-L24 HydrophobicContact CG2-CD1 4.11Å; T9-L24 HydrophobicContact CG2-CD2 4.4Å; T9-L24 HydrophobicContact CG2-CG 4.32Å; T9-S119 CarbonylContact C-O 3.6Å; T9-S119 WeakPolarHBondContact CA-O 3.19Å
10V85.4Confident76.8Confident2 Ų241.5 Ų41.51%0.01229%0.289CS..  trans-108.8-19.7176.3-67.30000112.9H8 V67 S119H8-V10 VanDerWaalsContact CE1-CG1 3.43Å; H8-V10 WeakPolarHBondContact CE1-CG1 3.23Å; V10-V67 HydrophobicContact CB-CB 4.26Å; V10-V67 HydrophobicContact CB-CG1 3.91Å; V10-V67 HydrophobicContact CG1-CB 4.23Å; V10-V67 HydrophobicContact CG1-CG1 4.26Å; V10-V67 HydrophobicContact CG1-CG2 3.99Å; V10-V67 HydrophobicContact CG2-CG1 4.05Å; V10-S119 WeakPolarHBondContact CG2-O 3.32Å; V10-S119 PolarHBondContact N-O 3.03Å
11C74.6Confident77Confident25 Ų2540.2 Ų40.217%0.16928%0.28CS..SBendtrans-89.7155.7171.4-69.10000111.3V13 R71 L78C11-V13 PolarHBondContact O-N 3.14Å; C11-V13 VanDerWaalsContact O-N 3.14Å; C11-R71 PolarHBondContact SG-NH1 2.99Å; C11-L78 VanDerWaalsContact SG-CD1 3.55Å
12P64.5Low77.1Confident110 Ų11044.1 Ų44.171%0.71429%0.292SS*.PPolyproline II helixtrans-58.5118.2168.8-15.528.5000109.3
13V60.4Low77.2Confident52 Ų5246.4 Ų46.432%0.31531%0.306SS..PPolyproline II helixtrans-91.1126.7167.3-176.20000105.9T9 C11 A15 L16T9-V13 HydrophobicContact CG2-CG2 3.87Å; C11-V13 PolarHBondContact O-N 3.14Å; C11-V13 VanDerWaalsContact O-N 3.14Å; V13-A15 PolarHBondContact O-N 3.25Å; V13-L16 HydrophobicContact CB-CD1 3.96Å; V13-L16 HydrophobicContact CB-CG 4.22Å; V13-L16 HydrophobicContact CG2-CD1 4.19Å; V13-L16 PolarHBondContact O-N 3.11Å
14G54.1Low77.1Confident91 Ų9145.9 Ų45.994%0.93831%0.305SS*.THydrogen-bonded Turntrans-57.2-12.2-173.900000115.8
15A56.1Low77.1Confident94 Ų9446.5 Ų46.578%0.77731%0.307SS*.THydrogen-bonded Turntrans-93.1-2.3175.500000114.8V13V13-A15 PolarHBondContact O-N 3.25Å
16L58.8Low77.1Confident54 Ų5449.3 Ų49.328%0.28333%0.327SS..SBendtrans-113.3151.2-178.7-63.4174.2000110.6V13 E20 R22V13-L16 HydrophobicContact CB-CD1 3.96Å; V13-L16 HydrophobicContact CB-CG 4.22Å; V13-L16 HydrophobicContact CG2-CD1 4.19Å; V13-L16 PolarHBondContact O-N 3.11Å; L16-E20 HydrophobicContact CB-CB 4.04Å; L16-R22 HydrophobicContact CD1-CB 3.69Å
17T61Low76.9Confident91 Ų9154.6 Ų54.656%0.55835%0.347SS*.  trans-68.4156.3174.363.60000110.8G19 E20T17-G19 PolarHBondContact O-N 3.29Å; T17-G19 VanDerWaalsContact O-N 3.14Å; T17-E20 PolarHBondContact N-OE2 2.82Å; T17-E20 WeakPolarHBondContact O-CB 3.44Å; T17-E20 PolarHBondContact O-N 3.26Å; T17-E20 VanDerWaalsContact OG1-CG 3.23Å; T17-E20 WeakPolarHBondContact OG1-CG 2.98Å; T17-E20 PolarHBondContact OG1-OE1 3.04Å; T17-E20 PolarHBondContact OG1-OE2 3.12Å
18A61.4Low76.8Confident105 Ų10558 Ų5887%0.86837%0.365SS*.THydrogen-bonded Turntrans-58.5120.7178.600000110.1
19G64.5Low76.6Confident32 Ų3258.8 Ų58.833%0.3337%0.368SS..THydrogen-bonded Turntrans105.3-16.6-177.600000114.8T17T17-G19 PolarHBondContact O-N 3.29Å; T17-G19 VanDerWaalsContact O-N 3.14Å
20E73.9Confident76Confident90 Ų9060.8 Ų60.842%0.42139%0.389SS..  trans-78.4146.9-179.7-77.6178.5158.800112.5L16 T17 R64L16-E20 HydrophobicContact CB-CB 4.04Å; T17-E20 PolarHBondContact N-OE2 2.82Å; T17-E20 WeakPolarHBondContact O-CB 3.44Å; T17-E20 PolarHBondContact O-N 3.26Å; T17-E20 VanDerWaalsContact OG1-CG 3.23Å; T17-E20 WeakPolarHBondContact OG1-CG 2.98Å; T17-E20 PolarHBondContact OG1-OE1 3.04Å; T17-E20 PolarHBondContact OG1-OE2 3.12Å; E20-R64 WeakPolarHBondContact O-CD 3.31Å; E20-R64 PolarHBondContact O-NE 3.4Å
21S82.6Confident75.1Confident16 Ų1664.1 Ų64.111%0.11241%0.411CS..  trans-124.8120.4176.91770000107.7H8 T9 V23H8-S21 PolarHBondContact ND1-OG 3.22Å; T9-S21 PolarHBondContact O-OG 2.98Å; S21-V23 PolarHBondContact O-N 2.71Å
22R87.7Confident74.4Confident130 Ų13064.6 Ų64.649%0.49141%0.412SS..  trans-84.9115.6174.7-179176.6-176.8177.41.1108.6H8 T9 L16 L24H8-R22 CarbonylContact C-O 3.55Å; H8-R22 VanDerWaalsContact CA-O 3.22Å; H8-R22 WeakPolarHBondContact CA-O 3.31Å; H8-R22 WeakPolarHBondContact CB-O 3.18Å; T9-R22 HydrophobicContact CG2-CB 4.16Å; T9-R22 PolarHBondContact N-O 3.23Å; T9-R22 PolarHBondContact OG1-N 3.07Å; L16-R22 HydrophobicContact CD1-CB 3.69Å; R22-L24 HydrophobicContact CG-CD2 4Å; R22-L24 PolarHBondContact O-N 3.41Å
23V90.4Very high73.9Confident48 Ų4860.3 Ų60.329%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-72118.7169.1-177.50000107.9S21 V56 A60S21-V23 PolarHBondContact O-N 2.71Å; V23-V56 HydrophobicContact CG1-CG1 3.9Å; V23-V56 HydrophobicContact CG2-CG1 4Å; V23-A60 HydrophobicContact CG2-CB 3.89Å
24L89.6Confident73.5Confident16 Ų1659.2 Ų59.28%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-94.7-36.4-179.6-58.6173000110.9I7 T9 R22 L120 V159 L160I7-L24 PolarHBondContact O-N 2.92Å; T9-L24 HydrophobicContact CG2-CD1 4.11Å; T9-L24 HydrophobicContact CG2-CD2 4.4Å; T9-L24 HydrophobicContact CG2-CG 4.32Å; R22-L24 HydrophobicContact CG-CD2 4Å; R22-L24 PolarHBondContact O-N 3.41Å; L24-L120 HydrophobicContact CD1-CD2 3.53Å; L24-V159 HydrophobicContact CB-CB 3.95Å; L24-V159 HydrophobicContact CB-CG1 3.64Å; L24-V159 HydrophobicContact CD1-CB 4.12Å; L24-V159 HydrophobicContact CD1-CG1 4.49Å; L24-V159 HydrophobicContact CD1-CG2 3.99Å; L24-L160 HydrophobicContact CD2-CG 4.49Å; L24-L160 VanDerWaalsContact O-CD2 3.28Å; L24-L160 WeakPolarHBondContact O-CD2 3.43Å
25Y91.4Very high73.2Confident15 Ų1559.6 Ų59.66%0.05936%0.36CS..EExtended strand (participates in β ladder)trans-145.6142.9177.2178.8-88000109.6F5 L6 I7 R27 I166 D167 L170F5-Y25 AromaticContact CD1-CD1 3.98Å; F5-Y25 HydrophobicContact CD1-CD1 3.98Å; F5-Y25 AromaticContact CD1-CE1 3.78Å; F5-Y25 HydrophobicContact CD1-CE1 3.78Å; F5-Y25 AromaticContact CE1-CD1 3.91Å; F5-Y25 HydrophobicContact CE1-CD1 3.91Å; F5-Y25 AromaticContact CE1-CE1 3.97Å; F5-Y25 HydrophobicContact CE1-CE1 3.97Å; L6-Y25 CarbonylContact C-O 3.52Å; L6-Y25 VanDerWaalsContact CA-O 3.26Å; L6-Y25 WeakPolarHBondContact CA-O 3.35Å; L6-Y25 WeakPolarHBondContact CB-O 3.43Å; I7-Y25 PolarHBondContact N-O 3.13Å; I7-Y25 PolarHBondContact O-N 3.47Å; I7-Y25 VanDerWaalsContact O-N 3.08Å; Y25-R27 HydrophobicContact CE1-CB 3.87Å; Y25-I166 HydrophobicContact CD1-CG2 3.94Å; Y25-I166 HydrophobicContact CD2-CB 4.41Å; Y25-I166 HydrophobicContact CD2-CD1 4.06Å; Y25-I166 HydrophobicContact CD2-CG2 4.39Å; Y25-I166 HydrophobicContact CE1-CB 4.47Å; Y25-I166 HydrophobicContact CE1-CG2 3.6Å; Y25-I166 HydrophobicContact CE2-CB 4.06Å; Y25-I166 HydrophobicContact CE2-CG2 4.07Å; Y25-I166 HydrophobicContact CG-CD1 4.13Å; Y25-I166 HydrophobicContact CG-CG2 4.33Å; Y25-D167 PolarHBondContact OH-OD1 3.43Å; Y25-L170 HydrophobicContact CE1-CD1 3.61Å; Y25-L170 VanDerWaalsContact OH-CD1 3.26Å; Y25-L170 WeakPolarHBondContact OH-CD1 3.19Å
26S92.9Very high72.9Confident60 Ų6060.7 Ų60.742%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-147.8131.6173.461.80000110.5F5F5-S26 CarbonylContact O-C 3.56Å; F5-S26 WeakPolarHBondContact O-CA 3.22Å
27R91.6Very high72.6Confident112 Ų11260.4 Ų60.442%0.42335%0.354SS..EExtended strand (participates in β ladder)trans-122.2127.6171.7-170.674.8-173.2-164.45.4108.9C4 F5 Y25 F29 D167 L170C4-R27 CarbonylContact C-O 3.49Å; C4-R27 VanDerWaalsContact CA-O 3.3Å; C4-R27 WeakPolarHBondContact CA-O 3.37Å; C4-R27 PolarHBondContact SG-O 2.9Å; C4-R27 VanDerWaalsContact SG-O 3.38Å; F5-R27 PolarHBondContact N-O 3.25Å; F5-R27 PolarHBondContact O-N 2.82Å; Y25-R27 HydrophobicContact CE1-CB 3.87Å; R27-F29 HydrophobicContact CB-CE2 4.28Å; R27-F29 HydrophobicContact CB-CZ 4.14Å; R27-F29 HydrophobicContact CG-CD1 4.44Å; R27-F29 HydrophobicContact CG-CE1 3.79Å; R27-F29 HydrophobicContact CG-CE2 4.07Å; R27-F29 HydrophobicContact CG-CZ 3.57Å; R27-D167 IonicContact CZ-OD1 3.01Å; R27-D167 IonicContact NE-OD1 2.76Å; R27-D167 IonicContact NH1-OD1 3.27Å; R27-D167 PolarHBondContact NH1-OD1 3.5Å; R27-L170 HydrophobicContact CB-CD1 3.8Å; R27-L170 HydrophobicContact CG-CD1 4.07Å
28L89.9Confident72Confident71 Ų7166.4 Ų66.437%0.37237%0.373SS..EExtended strand (participates in β ladder)trans-100.1145.1173-64.9167.2000109.3C4 Q52 V56C4-L28 HydrophobicContact CB-CD2 3.86Å; L28-Q52 HydrophobicContact CD1-CB 3.91Å; L28-Q52 HydrophobicContact CD1-CG 3.86Å; L28-V56 HydrophobicContact CD2-CG2 4.22Å
29F87.9Confident71.4Confident17 Ų1770.2 Ų70.28%0.07537%0.373CS..  trans-126.7143.6-179.1-59.7-76.5000110.2V2 R3 F5 R27 L170 L174V2-F29 HydrophobicContact CG1-CD2 4.2Å; V2-F29 HydrophobicContact CG1-CE2 4.46Å; V2-F29 VanDerWaalsContact O-CB 3.24Å; V2-F29 WeakPolarHBondContact O-CB 3.45Å; R3-F29 PolarHBondContact O-N 2.88Å; F5-F29 HydrophobicContact CB-CE2 3.91Å; R27-F29 HydrophobicContact CB-CE2 4.28Å; R27-F29 HydrophobicContact CB-CZ 4.14Å; R27-F29 HydrophobicContact CG-CD1 4.44Å; R27-F29 HydrophobicContact CG-CE1 3.79Å; R27-F29 HydrophobicContact CG-CE2 4.07Å; R27-F29 HydrophobicContact CG-CZ 3.57Å; F29-L170 HydrophobicContact CZ-CB 4.37Å; F29-L170 HydrophobicContact CZ-CD1 4.41Å; F29-L170 HydrophobicContact CZ-CD2 4.32Å; F29-L174 HydrophobicContact CD2-CD2 4.21Å; F29-L174 HydrophobicContact CE1-CD2 4.46Å; F29-L174 HydrophobicContact CE2-CD2 3.59Å; F29-L174 HydrophobicContact CZ-CD2 3.72Å; F29-L174 HydrophobicContact CZ-CG 4.49Å
30G77.5Confident70.7Confident45 Ų4574.9 Ų74.946%0.46439%0.386SS..SBendtrans81.1176.3-17900000114.5
31P65.8Low69.9Low73 Ų7381.4 Ų81.447%0.47441%0.406SS..SBendtrans-67.2142.117627.8-32.3000110.2R3 E33R3-P31 PolarHBondContact NH2-O 2.85Å; P31-E33 PolarHBondContact O-N 3.46Å
32D59.4Low68.9Low35 Ų3589.7 Ų89.719%0.18744%0.444CS..  trans-55.8133175.1-152.7-4.7000109.1V34 V35 Q52D32-V34 HydrophobicContact CB-CB 4.35Å; D32-V34 PolarHBondContact O-N 2.96Å; D32-V35 HydrophobicContact CB-CG2 4.28Å; D32-V35 WeakPolarHBondContact O-CB 3.49Å; D32-V35 PolarHBondContact O-N 3.42Å; D32-Q52 PolarHBondContact OD1-NE2 3.48Å; D32-Q52 PolarHBondContact OD2-NE2 2.89Å
33E55.6Low67.9Low19 Ų1986.1 Ų86.19%0.08943%0.432CS..G310 helixtrans-56.2-24.1177.6-78.9-175.7161.400111.5P31 V35 L36 S37 K55 S107P31-E33 PolarHBondContact O-N 3.46Å; E33-V35 PolarHBondContact O-N 3.12Å; E33-V35 VanDerWaalsContact O-N 3.16Å; E33-L36 PolarHBondContact O-N 3.36Å; E33-S37 PolarHBondContact O-N 3.03Å; E33-K55 IonicContact OE2-NZ 2.76Å; E33-K55 PolarHBondContact OE2-NZ 3.14Å; E33-S107 VanDerWaalsContact CD-OG 3.25Å; E33-S107 PolarHBondContact OE1-N 3.13Å; E33-S107 PolarHBondContact OE1-OG 3.33Å; E33-S107 VanDerWaalsContact OE1-OG 3.09Å; E33-S107 PolarHBondContact OE2-N 3.45Å
34V50.5Low67.4Low30 Ų3087 Ų8718%0.18244%0.438CS..G310 helixtrans-57.6-23.6173.2-170.30000112.8D32 F43 R48D32-V34 HydrophobicContact CB-CB 4.35Å; D32-V34 PolarHBondContact O-N 2.96Å; V34-F43 HydrophobicContact CG1-CD2 3.84Å; V34-R48 HydrophobicContact CG1-CG 4.25Å
35V49.3Very low66.9Low98 Ų9891.4 Ų91.459%0.59447%0.467SS*.G310 helixtrans-83.1-22.3176.7-177.60000111.9D32 E33D32-V35 HydrophobicContact CB-CG2 4.28Å; D32-V35 WeakPolarHBondContact O-CB 3.49Å; D32-V35 PolarHBondContact O-N 3.42Å; E33-V35 PolarHBondContact O-N 3.12Å; E33-V35 VanDerWaalsContact O-N 3.16Å
36L49.5Very low66.5Low118 Ų11898.1 Ų98.162%0.61850%0.499SS*.THydrogen-bonded Turntrans-94.7-26-173.8-63.9174.1000113.1E33 K38E33-L36 PolarHBondContact O-N 3.36Å; L36-K38 PolarHBondContact O-N 3.2Å
37S52Low66Low48 Ų4899.4 Ų99.434%0.33650%0.498SS..  trans-8097.3174540000110.8E33 Q39E33-S37 PolarHBondContact O-N 3.03Å; S37-Q39 PolarHBondContact O-N 3.27Å
38K47.5Very low65.4Low216 Ų21698.4 Ų98.494%0.93949%0.494SS*.THydrogen-bonded Turntrans-588.7174.5-70.3-175175.6179.90115.6L36L36-K38 PolarHBondContact O-N 3.2Å
39Q49.5Very low65Low186 Ų186104.2 Ų104.287%0.86951%0.511SS*.THydrogen-bonded Turntrans-127.91.2-166.9-81.1-174.1-1900116S37S37-Q39 PolarHBondContact O-N 3.27Å
40Q49.5Very low64.9Low130 Ų130108.9 Ų108.961%0.60754%0.537SS*.SBendtrans-115.7128.3-179.8-75.4174-25.600111.5F43Q40-F43 HydrophobicContact CB-CE2 3.84Å
41R56.9Low65.1Low226 Ų226109.5 Ų109.585%0.85353%0.529SS*.  trans-30.6143.6176.1-75.4170.7171.6167.3-3.6111.9F43R41-F43 WeakPolarHBondContact O-CD2 3.43Å; R41-F43 PolarHBondContact O-N 2.84Å
42E62.8Low66.1Low191 Ų191108.7 Ų108.789%0.89352%0.519SS*.  trans-52.186173.1-67.9179.8162.100110.7T44E42-T44 PolarHBondContact O-N 3.31Å
43F66.9Low67.4Low54 Ų54114.2 Ų114.224%0.23754%0.541CS..  trans-63.2132.1174.8-73.1-69.3000107.3V34 Q40 R41 E47 R48 L51V34-F43 HydrophobicContact CG1-CD2 3.84Å; Q40-F43 HydrophobicContact CB-CE2 3.84Å; R41-F43 WeakPolarHBondContact O-CD2 3.43Å; R41-F43 PolarHBondContact O-N 2.84Å; F43-E47 WeakPolarHBondContact CA-OE2 3.4Å; F43-E47 HydrophobicContact CB-CB 4.09Å; F43-E47 HydrophobicContact CD1-CB 3.93Å; F43-E47 HydrophobicContact CD1-CG 4.5Å; F43-E47 HydrophobicContact CG-CB 4.42Å; F43-R48 HydrophobicContact CB-CG 3.76Å; F43-R48 PolarHBondContact O-NE 2.87Å; F43-R48 PolarHBondContact O-NH2 3.17Å; F43-L51 HydrophobicContact CE1-CD1 4.38Å; F43-L51 HydrophobicContact CE2-CD1 4.35Å; F43-L51 HydrophobicContact CZ-CD1 4.29Å
44T80.1Confident69Low68 Ų68118.8 Ų118.842%0.41756%0.562SS.*  trans-56.1153.1168.561.30000109.4E42 E46 E47 R48E42-T44 PolarHBondContact O-N 3.31Å; T44-E46 PolarHBondContact O-N 3.5Å; T44-E46 VanDerWaalsContact O-N 3.13Å; T44-E47 PolarHBondContact N-OE2 2.8Å; T44-E47 PolarHBondContact O-N 3.37Å; T44-E47 VanDerWaalsContact O-N 3.13Å; T44-E47 WeakPolarHBondContact OG1-CG 3.31Å; T44-E47 PolarHBondContact OG1-N 2.97Å; T44-E47 PolarHBondContact OG1-OE2 3.01Å; T44-R48 WeakPolarHBondContact O-CG 3.44Å; T44-R48 PolarHBondContact O-N 2.9Å; T44-R48 VanDerWaalsContact O-N 3.09Å
45P78.9Confident70.9Confident107 Ų107119.2 Ų119.270%0.69556%0.562SS**Hα-helixtrans-56.9-29.1177.823-34.3000112.8R49P45-R49 WeakPolarHBondContact O-CB 3.18Å; P45-R49 PolarHBondContact O-N 2.9Å; P45-R49 VanDerWaalsContact O-N 3.1Å
46E82.6Confident72.9Confident157 Ų157115 Ų11573%0.73454%0.536SS*.Hα-helixtrans-69.5-45176.5-61.6-172.1168.100112.3T44 R48 R49 L50T44-E46 PolarHBondContact O-N 3.5Å; T44-E46 VanDerWaalsContact O-N 3.13Å; E46-R48 VanDerWaalsContact C-N 3.33Å; E46-R48 PolarHBondContact O-N 2.77Å; E46-R49 PolarHBondContact O-N 2.74Å; E46-L50 WeakPolarHBondContact O-CB 3.41Å; E46-L50 PolarHBondContact O-N 3.36Å
47E81.7Confident74.8Confident87 Ų87111.5 Ų111.541%0.40752%0.522SS..Hα-helixtrans-62.1-40.7175.5-72.7164.6146.400111.5F43 T44 R49 L50 L51F43-E47 WeakPolarHBondContact CA-OE2 3.4Å; F43-E47 HydrophobicContact CB-CB 4.09Å; F43-E47 HydrophobicContact CD1-CB 3.93Å; F43-E47 HydrophobicContact CD1-CG 4.5Å; F43-E47 HydrophobicContact CG-CB 4.42Å; T44-E47 PolarHBondContact N-OE2 2.8Å; T44-E47 PolarHBondContact O-N 3.37Å; T44-E47 VanDerWaalsContact O-N 3.13Å; T44-E47 WeakPolarHBondContact OG1-CG 3.31Å; T44-E47 PolarHBondContact OG1-N 2.97Å; T44-E47 PolarHBondContact OG1-OE2 3.01Å; E47-R49 PolarHBondContact O-N 2.95Å; E47-L50 PolarHBondContact O-N 2.83Å; E47-L51 VanDerWaalsContact O-CG 3.32Å; E47-L51 WeakPolarHBondContact O-CG 3.39Å; E47-L51 PolarHBondContact O-N 3.5Å
48R79.4Confident76.7Confident90 Ų90110.4 Ų110.434%0.3451%0.513SS..Hα-helixtrans-61.1-46.5175.3-63.7-179.1-163.4-166.5-0.1111.6V34 F43 T44 E46 L50 L51 Q52V34-R48 HydrophobicContact CG1-CG 4.25Å; F43-R48 HydrophobicContact CB-CG 3.76Å; F43-R48 PolarHBondContact O-NE 2.87Å; F43-R48 PolarHBondContact O-NH2 3.17Å; T44-R48 WeakPolarHBondContact O-CG 3.44Å; T44-R48 PolarHBondContact O-N 2.9Å; T44-R48 VanDerWaalsContact O-N 3.09Å; E46-R48 VanDerWaalsContact C-N 3.33Å; E46-R48 PolarHBondContact O-N 2.77Å; R48-L50 VanDerWaalsContact C-N 3.3Å; R48-L50 PolarHBondContact O-N 2.94Å; R48-L51 PolarHBondContact O-N 3.23Å; R48-Q52 WeakPolarHBondContact O-CB 3.28Å; R48-Q52 VanDerWaalsContact O-CG 3.3Å; R48-Q52 WeakPolarHBondContact O-CG 3.43Å; R48-Q52 PolarHBondContact O-N 2.85Å
49R81.8Confident78.9Confident193 Ų193100.2 Ų100.273%0.72847%0.469SS*.Hα-helixtrans-62.8-38.1177178.9179159.4177.8-5.3111.7P45 E46 E47 K53P45-R49 WeakPolarHBondContact O-CB 3.18Å; P45-R49 PolarHBondContact O-N 2.9Å; P45-R49 VanDerWaalsContact O-N 3.1Å; E46-R49 PolarHBondContact O-N 2.74Å; E47-R49 PolarHBondContact O-N 2.95Å; R49-K53 WeakPolarHBondContact O-CB 3.34Å; R49-K53 PolarHBondContact O-N 2.95Å
50L84.9Confident80.9Confident116 Ų11691.3 Ų91.361%0.60743%0.427SS*.Hα-helixtrans-64.7-49.1176.7-176.464.6000111.2E46 E47 R48 Q52 K53 E54E46-L50 WeakPolarHBondContact O-CB 3.41Å; E46-L50 PolarHBondContact O-N 3.36Å; E47-L50 PolarHBondContact O-N 2.83Å; R48-L50 VanDerWaalsContact C-N 3.3Å; R48-L50 PolarHBondContact O-N 2.94Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q52 PolarHBondContact O-N 3.47Å; L50-K53 WeakPolarHBondContact O-CB 3.19Å; L50-K53 PolarHBondContact O-N 3.33Å; L50-K53 VanDerWaalsContact O-N 3.16Å; L50-E54 PolarHBondContact O-N 3.36Å
51L83.6Confident82.9Confident58 Ų5891 Ų9130%0.30442%0.42SS..Hα-helixtrans-57.9-47.1176.6-72.4170.6000111.2F43 E47 R48 K53 E54 K55F43-L51 HydrophobicContact CE1-CD1 4.38Å; F43-L51 HydrophobicContact CE2-CD1 4.35Å; F43-L51 HydrophobicContact CZ-CD1 4.29Å; E47-L51 VanDerWaalsContact O-CG 3.32Å; E47-L51 WeakPolarHBondContact O-CG 3.39Å; E47-L51 PolarHBondContact O-N 3.5Å; R48-L51 PolarHBondContact O-N 3.23Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.12Å; L51-E54 WeakPolarHBondContact O-CB 3.21Å; L51-E54 PolarHBondContact O-N 2.7Å; L51-E54 VanDerWaalsContact O-N 3.17Å; L51-K55 WeakPolarHBondContact O-CG 3.2Å; L51-K55 PolarHBondContact O-N 3.37Å
52Q85.6Confident84.6Confident55 Ų5586.2 Ų86.226%0.25740%0.402SS..Hα-helixtrans-57.5-45.4175.9-75.1176.53.700112.3L28 D32 R48 L50 E54 K55 V56L28-Q52 HydrophobicContact CD1-CB 3.91Å; L28-Q52 HydrophobicContact CD1-CG 3.86Å; D32-Q52 PolarHBondContact OD1-NE2 3.48Å; D32-Q52 PolarHBondContact OD2-NE2 2.89Å; R48-Q52 WeakPolarHBondContact O-CB 3.28Å; R48-Q52 VanDerWaalsContact O-CG 3.3Å; R48-Q52 WeakPolarHBondContact O-CG 3.43Å; R48-Q52 PolarHBondContact O-N 2.85Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q52 PolarHBondContact O-N 3.47Å; Q52-E54 VanDerWaalsContact C-N 3.3Å; Q52-E54 PolarHBondContact O-N 2.9Å; Q52-K55 PolarHBondContact O-N 3.5Å; Q52-V56 WeakPolarHBondContact O-CG2 3.4Å; Q52-V56 PolarHBondContact O-N 3.2Å
53K87.6Confident86Confident152 Ų15277.1 Ų77.166%0.66136%0.36SS*.Hα-helixtrans-63-38.4177.7-173.1178.9177.1-173.80111.6R49 L50 L51 S57R49-K53 WeakPolarHBondContact O-CB 3.34Å; R49-K53 PolarHBondContact O-N 2.95Å; L50-K53 WeakPolarHBondContact O-CB 3.19Å; L50-K53 PolarHBondContact O-N 3.33Å; L50-K53 VanDerWaalsContact O-N 3.16Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.12Å; K53-S57 WeakPolarHBondContact O-CB 3.34Å; K53-S57 PolarHBondContact O-N 3.07Å
54E88.7Confident87.2Confident114 Ų11476 Ų7653%0.53335%0.354SS..Hα-helixtrans-64.5-46.8174.6-173177.8-173.100111.5L50 L51 Q52 V56 S57 V58L50-E54 PolarHBondContact O-N 3.36Å; L51-E54 WeakPolarHBondContact O-CB 3.21Å; L51-E54 PolarHBondContact O-N 2.7Å; L51-E54 VanDerWaalsContact O-N 3.17Å; Q52-E54 VanDerWaalsContact C-N 3.3Å; Q52-E54 PolarHBondContact O-N 2.9Å; E54-V56 VanDerWaalsContact C-N 3.32Å; E54-V56 PolarHBondContact O-N 3.35Å; E54-S57 WeakPolarHBondContact O-CB 3.31Å; E54-S57 PolarHBondContact O-N 3.13Å; E54-S57 VanDerWaalsContact O-N 3.1Å; E54-V58 WeakPolarHBondContact O-CG2 3.43Å; E54-V58 PolarHBondContact O-N 3.42Å
55K89.3Confident87.7Confident39 Ų3976.1 Ų76.117%0.1736%0.358CS..Hα-helixtrans-53.5-50.7175-65.6-167.4177.1-1760110.8E33 L51 Q52 S57 V58 V59 P105 F106E33-K55 IonicContact OE2-NZ 2.76Å; E33-K55 PolarHBondContact OE2-NZ 3.14Å; L51-K55 WeakPolarHBondContact O-CG 3.2Å; L51-K55 PolarHBondContact O-N 3.37Å; Q52-K55 PolarHBondContact O-N 3.5Å; K55-S57 VanDerWaalsContact C-N 3.33Å; K55-S57 PolarHBondContact O-N 3.26Å; K55-V58 PolarHBondContact O-N 3.37Å; K55-V59 WeakPolarHBondContact O-CG2 3.45Å; K55-V59 PolarHBondContact O-N 3.04Å; K55-V59 VanDerWaalsContact O-N 3.11Å; K55-P105 HydrophobicContact CB-CB 4.22Å; K55-P105 HydrophobicContact CB-CG 3.97Å; K55-P105 WeakPolarHBondContact CE-O 3.41Å; K55-P105 HydrophobicContact CG-CB 3.99Å; K55-P105 HydrophobicContact CG-CG 4.21Å; K55-F106 HydrophobicContact CD-CD1 4.35Å; K55-F106 HydrophobicContact CD-CE1 4.19Å
56V91.8Very high88.3Confident9 Ų972 Ų726%0.05533%0.333CS..Hα-helixtrans-61.7-40.8178.81750000111.4L6 V23 L28 Q52 E54 V59 A60L6-V56 HydrophobicContact CB-CG1 4.41Å; L6-V56 HydrophobicContact CD2-CG1 3.81Å; V23-V56 HydrophobicContact CG1-CG1 3.9Å; V23-V56 HydrophobicContact CG2-CG1 4Å; L28-V56 HydrophobicContact CD2-CG2 4.22Å; Q52-V56 WeakPolarHBondContact O-CG2 3.4Å; Q52-V56 PolarHBondContact O-N 3.2Å; E54-V56 VanDerWaalsContact C-N 3.32Å; E54-V56 PolarHBondContact O-N 3.35Å; V56-V59 PolarHBondContact O-N 3.35Å; V56-A60 WeakPolarHBondContact O-CB 3.31Å; V56-A60 PolarHBondContact O-N 3.48Å
57S90.6Very high88.7Confident45 Ų4564.5 Ų64.532%0.31530%0.298SS..Hα-helixtrans-64.5-40.1177.4-178.40000112.8K53 E54 K55 A60 R61K53-S57 WeakPolarHBondContact O-CB 3.34Å; K53-S57 PolarHBondContact O-N 3.07Å; E54-S57 WeakPolarHBondContact O-CB 3.31Å; E54-S57 PolarHBondContact O-N 3.13Å; E54-S57 VanDerWaalsContact O-N 3.1Å; K55-S57 VanDerWaalsContact C-N 3.33Å; K55-S57 PolarHBondContact O-N 3.26Å; S57-A60 PolarHBondContact O-N 3.03Å; S57-R61 WeakPolarHBondContact O-CG 3.43Å; S57-R61 PolarHBondContact O-N 3.09Å
58V91.4Very high89.1Confident25 Ų2561.8 Ų61.815%0.15229%0.289CS..Hα-helixtrans-61.4-47.9175171.40000110.5E54 K55 A60 R61 R62 P105E54-V58 WeakPolarHBondContact O-CG2 3.43Å; E54-V58 PolarHBondContact O-N 3.42Å; K55-V58 PolarHBondContact O-N 3.37Å; V58-A60 PolarHBondContact O-N 2.93Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-R62 WeakPolarHBondContact O-CG 3.37Å; V58-R62 PolarHBondContact O-N 3.02Å; V58-P105 HydrophobicContact CB-CB 4.38Å; V58-P105 HydrophobicContact CB-CG 4.23Å; V58-P105 HydrophobicContact CG1-CB 4.34Å; V58-P105 HydrophobicContact CG1-CG 4.18Å
59V92.8Very high89.6Confident2 Ų263.1 Ų63.11%0.01230%0.302CS..Hα-helixtrans-58.8-49.4177.51780000110.6L6 K55 V56 R61 R62 V63 L100 P105 F106 V112 T123 V125L6-V59 HydrophobicContact CD2-CB 4.1Å; L6-V59 HydrophobicContact CD2-CG1 3.86Å; K55-V59 WeakPolarHBondContact O-CG2 3.45Å; K55-V59 PolarHBondContact O-N 3.04Å; K55-V59 VanDerWaalsContact O-N 3.11Å; V56-V59 PolarHBondContact O-N 3.35Å; V59-R61 VanDerWaalsContact C-N 3.3Å; V59-R61 PolarHBondContact O-N 3.25Å; V59-R62 PolarHBondContact O-N 3.16Å; V59-R62 VanDerWaalsContact O-N 3.16Å; V59-V63 HydrophobicContact CG1-CG2 4.27Å; V59-V63 WeakPolarHBondContact O-CG2 3.45Å; V59-V63 PolarHBondContact O-N 3.31Å; V59-L100 HydrophobicContact CG2-CD1 4.06Å; V59-P105 HydrophobicContact CG2-CG 4.38Å; V59-F106 HydrophobicContact CG2-CE2 3.96Å; V59-V112 HydrophobicContact CG1-CG1 3.84Å; V59-V112 HydrophobicContact CG1-CG2 4.3Å; V59-T123 HydrophobicContact CG1-CG2 3.94Å; V59-V125 HydrophobicContact CG1-CG2 3.93Å; V59-V125 HydrophobicContact CG2-CG2 4.23Å
60A92.9Very high89.9Confident0 Ų055.7 Ų55.70%028%0.279CS..Hα-helixtrans-60.6-37.1-179.200000112.8L6 H8 V23 V56 S57 V58 R64L6-A60 HydrophobicContact CD1-CB 4.45Å; H8-A60 HydrophobicContact CB-CB 4.14Å; H8-A60 PolarHBondContact CE1-O 3.46Å; H8-A60 VanDerWaalsContact CE1-O 3.28Å; V23-A60 HydrophobicContact CG2-CB 3.89Å; V56-A60 WeakPolarHBondContact O-CB 3.31Å; V56-A60 PolarHBondContact O-N 3.48Å; S57-A60 PolarHBondContact O-N 3.03Å; V58-A60 PolarHBondContact O-N 2.93Å; A60-R64 VanDerWaalsContact O-CB 3.31Å; A60-R64 WeakPolarHBondContact O-CB 3.45Å; A60-R64 PolarHBondContact O-N 2.9Å
61R91.1Very high90.1Very high123 Ų12351.4 Ų51.446%0.46426%0.255SS..Hα-helixtrans-67.5-44.8174.2-75.7-173.6-66.4163.3-1.7112.2S57 V58 V59 V63 R64 S65S57-R61 WeakPolarHBondContact O-CG 3.43Å; S57-R61 PolarHBondContact O-N 3.09Å; V58-R61 PolarHBondContact O-N 2.94Å; V59-R61 VanDerWaalsContact C-N 3.3Å; V59-R61 PolarHBondContact O-N 3.25Å; R61-V63 PolarHBondContact O-N 3.29Å; R61-R64 PolarHBondContact O-N 2.89Å; R61-S65 PolarHBondContact O-N 3.01Å; R61-S65 PolarHBondContact O-OG 3.44Å
62R91.6Very high90.3Very high125 Ų12555.8 Ų55.847%0.47227%0.274SS..Hα-helixtrans-61.1-45.4178.1-69.9-65.5-168-179.53.5111.4V58 V59 S65 A66 L100 E104V58-R62 WeakPolarHBondContact O-CG 3.37Å; V58-R62 PolarHBondContact O-N 3.02Å; V59-R62 PolarHBondContact O-N 3.16Å; V59-R62 VanDerWaalsContact O-N 3.16Å; R62-S65 PolarHBondContact O-N 2.98Å; R62-A66 PolarHBondContact O-N 2.96Å; R62-L100 HydrophobicContact CG-CD2 4.34Å; R62-E104 IonicContact NH2-OE2 3.95Å; R62-E104 PolarHBondContact NH2-OE2 3.31Å
63V93.1Very high90.4Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-64.8-44.8177.5173.50000111.1H8 V59 R61 S65 A66 V67 V112 W114 T123H8-V63 WeakPolarHBondContact NE2-CG1 3.32Å; V59-V63 HydrophobicContact CG1-CG2 4.27Å; V59-V63 WeakPolarHBondContact O-CG2 3.45Å; V59-V63 PolarHBondContact O-N 3.31Å; R61-V63 PolarHBondContact O-N 3.29Å; V63-S65 VanDerWaalsContact C-N 3.31Å; V63-S65 PolarHBondContact O-N 3.48Å; V63-A66 WeakPolarHBondContact O-CB 3.49Å; V63-A66 PolarHBondContact O-N 2.85Å; V63-A66 VanDerWaalsContact O-N 3.09Å; V63-V67 HydrophobicContact CG1-CG2 4.12Å; V63-V67 VanDerWaalsContact O-CG2 3.32Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 3.31Å; V63-V112 HydrophobicContact CG2-CG1 3.58Å; V63-W114 HydrophobicContact CB-CB 4.47Å; V63-W114 HydrophobicContact CG1-CB 3.45Å; V63-W114 VanDerWaalsContact CG1-CB 3.45Å; V63-W114 HydrophobicContact CG1-CD2 4.37Å; V63-W114 HydrophobicContact CG1-CG 3.77Å; V63-W114 HydrophobicContact CG2-CB 4.22Å; V63-T123 HydrophobicContact CG2-CG2 3.81Å
64R91.8Very high90.4Very high30 Ų3052.4 Ų52.411%0.11328%0.281CS..Hα-helixtrans-53.1-49.7174.6176.7-173175.6-72.9-3.1111.1E20 A60 R61 A66 V67 S68E20-R64 WeakPolarHBondContact O-CD 3.31Å; E20-R64 PolarHBondContact O-NE 3.4Å; A60-R64 VanDerWaalsContact O-CB 3.31Å; A60-R64 WeakPolarHBondContact O-CB 3.45Å; A60-R64 PolarHBondContact O-N 2.9Å; R61-R64 PolarHBondContact O-N 2.89Å; R64-A66 VanDerWaalsContact C-N 3.31Å; R64-A66 PolarHBondContact O-N 2.94Å; R64-V67 PolarHBondContact O-N 3.28Å; R64-S68 PolarHBondContact O-N 3.43Å; R64-S68 PolarHBondContact O-OG 3.5Å; R64-S68 VanDerWaalsContact O-OG 3.13Å
65S91Very high89.9Confident71 Ų7150 Ų5050%0.49729%0.286SS..Hα-helixtrans-61.7-38.9178.2-61.10000112.6R61 R62 V63 S68 L69R61-S65 PolarHBondContact O-N 3.01Å; R61-S65 PolarHBondContact O-OG 3.44Å; R62-S65 PolarHBondContact O-N 2.98Å; V63-S65 VanDerWaalsContact C-N 3.31Å; V63-S65 PolarHBondContact O-N 3.48Å; S65-S68 PolarHBondContact O-N 3.17Å; S65-L69 VanDerWaalsContact O-CB 3.31Å; S65-L69 WeakPolarHBondContact O-CB 3.26Å; S65-L69 PolarHBondContact O-N 3.31Å
66A92.3Very high89Confident21 Ų2155.6 Ų55.617%0.17431%0.307CS..Hα-helixtrans-65.6-41176.300000112.2R62 V63 R64 L69 S70 V98 W114R62-A66 PolarHBondContact O-N 2.96Å; V63-A66 WeakPolarHBondContact O-CB 3.49Å; V63-A66 PolarHBondContact O-N 2.85Å; V63-A66 VanDerWaalsContact O-N 3.09Å; R64-A66 VanDerWaalsContact C-N 3.31Å; R64-A66 PolarHBondContact O-N 2.94Å; A66-L69 PolarHBondContact O-N 2.77Å; A66-S70 WeakPolarHBondContact O-CB 3.4Å; A66-S70 PolarHBondContact O-N 2.9Å; A66-V98 HydrophobicContact CB-CG2 3.72Å; A66-W114 HydrophobicContact CB-CZ2 4.01Å
67V90.3Very high87.8Confident0 Ų063.8 Ų63.80%034%0.344CS..Hα-helixtrans-65.3-46.7175.6174.10000110.7V10 V63 R64 L69 S70 R71 W114V10-V67 HydrophobicContact CB-CB 4.26Å; V10-V67 HydrophobicContact CB-CG1 3.91Å; V10-V67 HydrophobicContact CG1-CB 4.23Å; V10-V67 HydrophobicContact CG1-CG1 4.26Å; V10-V67 HydrophobicContact CG1-CG2 3.99Å; V10-V67 HydrophobicContact CG2-CG1 4.05Å; V63-V67 HydrophobicContact CG1-CG2 4.12Å; V63-V67 VanDerWaalsContact O-CG2 3.32Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 3.31Å; R64-V67 PolarHBondContact O-N 3.28Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 2.85Å; V67-S70 PolarHBondContact O-N 3.29Å; V67-R71 WeakPolarHBondContact O-CG 3.31Å; V67-R71 PolarHBondContact O-N 3.47Å; V67-W114 HydrophobicContact CB-CZ3 4.36Å; V67-W114 HydrophobicContact CG2-CD2 4.01Å; V67-W114 HydrophobicContact CG2-CE3 3.4Å; V67-W114 HydrophobicContact CG2-CH2 4.18Å; V67-W114 HydrophobicContact CG2-CZ3 3.5Å
68S89.1Confident86.7Confident30 Ų3066 Ų6621%0.2135%0.352CS..Hα-helixtrans-57.7-47.9175.7-62.20000111.3R64 S65 S70 R71 E72R64-S68 PolarHBondContact O-N 3.43Å; R64-S68 PolarHBondContact O-OG 3.5Å; R64-S68 VanDerWaalsContact O-OG 3.13Å; S65-S68 PolarHBondContact O-N 3.17Å; S68-S70 VanDerWaalsContact C-N 3.35Å; S68-S70 PolarHBondContact O-N 2.94Å; S68-R71 PolarHBondContact O-N 3.16Å; S68-E72 WeakPolarHBondContact O-CB 3.41Å; S68-E72 VanDerWaalsContact O-CG 3.31Å; S68-E72 WeakPolarHBondContact O-CG 3.42Å; S68-E72 PolarHBondContact O-N 3.43Å
69L89.8Confident85.5Confident117 Ų11770.6 Ų70.661%0.61338%0.38SS*.Hα-helixtrans-60.1-43.8176.9-177.269.8000112S65 A66 V67 R71 E72 A73S65-L69 VanDerWaalsContact O-CB 3.31Å; S65-L69 WeakPolarHBondContact O-CB 3.26Å; S65-L69 PolarHBondContact O-N 3.31Å; A66-L69 PolarHBondContact O-N 2.77Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 2.85Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.09Å; L69-E72 PolarHBondContact O-N 3.26Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 3.09Å
70S89.9Confident84.2Confident37 Ų3777.7 Ų77.726%0.25942%0.418SS..Hα-helixtrans-60.7-41.7177.9-173.70000112A66 V67 S68 S74A66-S70 WeakPolarHBondContact O-CB 3.4Å; A66-S70 PolarHBondContact O-N 2.9Å; V67-S70 PolarHBondContact O-N 3.29Å; S68-S70 VanDerWaalsContact C-N 3.35Å; S68-S70 PolarHBondContact O-N 2.94Å; S70-S74 VanDerWaalsContact O-CB 3.31Å; S70-S74 WeakPolarHBondContact O-CB 3.39Å; S70-S74 PolarHBondContact O-N 3.47Å; S70-S74 PolarHBondContact O-OG 3.12Å
71R87.8Confident83Confident27 Ų2779 Ų7910%0.10243%0.428CS..Hα-helixtrans-70.4-44178.9-72174.6-179.5-179-2.3112.5C11 V67 S68 L69 A73 S74 G75 D94 G116 Q118C11-R71 PolarHBondContact SG-NH1 2.99Å; V67-R71 WeakPolarHBondContact O-CG 3.31Å; V67-R71 PolarHBondContact O-N 3.47Å; S68-R71 PolarHBondContact O-N 3.16Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.09Å; R71-A73 VanDerWaalsContact C-N 3.31Å; R71-A73 PolarHBondContact O-N 2.88Å; R71-S74 PolarHBondContact O-N 3.49Å; R71-S74 PolarHBondContact O-OG 3.05Å; R71-G75 PolarHBondContact O-N 2.86Å; R71-D94 WeakPolarHBondContact CG-OD2 3.34Å; R71-D94 IonicContact CZ-OD2 2.71Å; R71-D94 IonicContact NE-OD2 3.78Å; R71-D94 PolarHBondContact NE-OD2 3.08Å; R71-D94 IonicContact NH2-OD2 3.54Å; R71-G116 PolarHBondContact NH2-O 3.03Å; R71-Q118 PolarHBondContact NH1-O 2.94Å; R71-Q118 PolarHBondContact NH2-O 3.39Å
72E87.3Confident81.8Confident150 Ų15078.7 Ų78.770%0.70144%0.435SS*.Hα-helixtrans-61.7-42.2175.4-72.8170-159.600111S68 L69 G75S68-E72 WeakPolarHBondContact O-CB 3.41Å; S68-E72 VanDerWaalsContact O-CG 3.31Å; S68-E72 WeakPolarHBondContact O-CG 3.42Å; S68-E72 PolarHBondContact O-N 3.43Å; L69-E72 PolarHBondContact O-N 3.26Å; E72-G75 PolarHBondContact O-N 3.26Å
73A89.2Confident80.5Confident85 Ų8578.7 Ų78.770%0.70245%0.451SS*.Hα-helixtrans-69.9-34.7177.900000113.3L69 R71 G75L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 3.09Å; R71-A73 VanDerWaalsContact C-N 3.31Å; R71-A73 PolarHBondContact O-N 2.88Å; A73-G75 VanDerWaalsContact C-N 3.34Å
74S86.1Confident79.3Confident51 Ų5181.6 Ų81.636%0.35748%0.481SS..Hα-helixtrans-79.3-17.9178.771.70000113.2S70 R71 R76S70-S74 VanDerWaalsContact O-CB 3.31Å; S70-S74 WeakPolarHBondContact O-CB 3.39Å; S70-S74 PolarHBondContact O-N 3.47Å; S70-S74 PolarHBondContact O-OG 3.12Å; R71-S74 PolarHBondContact O-N 3.49Å; R71-S74 PolarHBondContact O-OG 3.05Å; S74-R76 PolarHBondContact O-N 3.11Å; S74-R76 VanDerWaalsContact O-N 3.12Å; S74-R76 PolarHBondContact OG-N 3.42Å
75G78.4Confident78.5Confident63 Ų6383 Ų8365%0.64949%0.491SS*.THydrogen-bonded Turntrans64.49.8-176.200000113.9R71 E72 A73 Q77R71-G75 PolarHBondContact O-N 2.86Å; E72-G75 PolarHBondContact O-N 3.26Å; A73-G75 VanDerWaalsContact C-N 3.34Å; G75-Q77 PolarHBondContact O-N 3.13Å
76R70.9Confident77.9Confident157 Ų15780.5 Ų80.559%0.59247%0.471SS*.PPolyproline II helixtrans-76.9123.6-178-69.5-178.5177.7-174.5-3.6109.9S74S74-R76 PolarHBondContact O-N 3.11Å; S74-R76 VanDerWaalsContact O-N 3.12Å; S74-R76 PolarHBondContact OG-N 3.42Å
77Q66.4Low77.2Confident180 Ų18082.2 Ų82.284%0.84149%0.486SS*.PPolyproline II helixtrans-76.9134.8168.5-73.6-175.5-13.500109.5G75 V79G75-Q77 PolarHBondContact O-N 3.13Å; Q77-V79 PolarHBondContact O-N 3.21Å
78L66.9Low76.6Confident93 Ų9387 Ų8749%0.48751%0.51SS..PPolyproline II helixtrans-67.3119.2171-67.5170.2000108.3C11C11-L78 VanDerWaalsContact SG-CD1 3.55Å
79V66.8Low76.2Confident121 Ų12186.5 Ų86.573%0.73351%0.507SS*.PPolyproline II helixtrans-90.6134.3170.3-170.70000107.3Q77 A81Q77-V79 PolarHBondContact O-N 3.21Å; V79-A81 PolarHBondContact O-N 2.97Å; V79-A81 VanDerWaalsContact O-N 3.11Å
80D66.4Low75.9Confident151 Ų15181.6 Ų81.681%0.80748%0.481SS*.  trans-61.2114.2170.1-88.8-16.7000108
81A66.5Low75.5Confident26 Ų2687.1 Ų87.122%0.21550%0.502CS..PPolyproline II helixtrans-76.4142.5178.200000110.5V79 D85 V89V79-A81 PolarHBondContact O-N 2.97Å; V79-A81 VanDerWaalsContact O-N 3.11Å; A81-D85 HydrophobicContact CB-CB 4.28Å; A81-V89 HydrophobicContact CB-CG2 3.17Å
82L66.8Low75.2Confident118 Ų11890.5 Ų90.562%0.61852%0.522SS*.PPolyproline II helixtrans-78.2151.8175.2-63169.3000109.8G84 D85L82-G84 PolarHBondContact O-N 3.19Å; L82-D85 WeakPolarHBondContact CB-OD2 3.26Å; L82-D85 PolarHBondContact N-OD2 3.4Å; L82-D85 WeakPolarHBondContact O-CB 3.35Å; L82-D85 PolarHBondContact O-N 2.97Å; L82-D85 VanDerWaalsContact O-N 3.07Å
83P63.7Low75.2Confident125 Ų12584 Ų8481%0.81250%0.495SS*.THydrogen-bonded Turntrans-56.6124168-2031.5000109.7
84G67.4Low75.2Confident60 Ų6080.9 Ų80.962%0.61947%0.466SS*.THydrogen-bonded Turntrans108.4-14.9-172.800000114.7L82 E86L82-G84 PolarHBondContact O-N 3.19Å; G84-E86 VanDerWaalsContact C-N 3.34Å; G84-E86 WeakPolarHBondContact CA-OE2 3.41Å; G84-E86 PolarHBondContact N-OE2 3.15Å
85D75.4Confident75.5Confident61 Ų6180.9 Ų80.933%0.32647%0.466SS..  trans-90.710.8178.2-68.4-25000113.3A81 L82 A87 L88 V89A81-D85 HydrophobicContact CB-CB 4.28Å; L82-D85 WeakPolarHBondContact CB-OD2 3.26Å; L82-D85 PolarHBondContact N-OD2 3.4Å; L82-D85 WeakPolarHBondContact O-CB 3.35Å; L82-D85 PolarHBondContact O-N 2.97Å; L82-D85 VanDerWaalsContact O-N 3.07Å; D85-A87 VanDerWaalsContact C-N 3.26Å; D85-A87 PolarHBondContact O-N 3.3Å; D85-A87 VanDerWaalsContact O-N 3.12Å; D85-L88 HydrophobicContact CB-CB 4.47Å; D85-L88 WeakPolarHBondContact O-CB 3.45Å; D85-L88 PolarHBondContact O-N 3.45Å; D85-V89 HydrophobicContact CB-CG2 4.33Å; D85-V89 VanDerWaalsContact O-CG2 3.31Å; D85-V89 WeakPolarHBondContact O-CG2 3.44Å; D85-V89 PolarHBondContact O-N 3.14Å
86E78.8Confident76.3Confident17 Ų1779 Ų798%0.07945%0.447CS..Hα-helixtrans-49.2-44.6-174.5-72.681.6171.800113.2G84 L90 L147 D148 H151 L153G84-E86 VanDerWaalsContact C-N 3.34Å; G84-E86 WeakPolarHBondContact CA-OE2 3.41Å; G84-E86 PolarHBondContact N-OE2 3.15Å; E86-L90 PolarHBondContact O-N 2.82Å; E86-L90 VanDerWaalsContact O-N 3.09Å; E86-L147 HydrophobicContact CB-CB 3.99Å; E86-L147 HydrophobicContact CG-CB 3.99Å; E86-D148 WeakPolarHBondContact CB-OD1 3.49Å; E86-H151 IonicContact OE1-CE1 2.9Å; E86-H151 IonicContact OE1-ND1 3.9Å; E86-H151 PolarHBondContact OE1-ND1 2.87Å; E86-H151 VanDerWaalsContact OE1-ND1 3.13Å; E86-L153 HydrophobicContact CB-CD1 4.41Å; E86-L153 HydrophobicContact CG-CD1 3.61Å; E86-L153 HydrophobicContact CG-CG 4.12Å
87A76.7Confident77.4Confident58 Ų5875.1 Ų75.148%0.47944%0.44SS..Hα-helixtrans-69.1-35.8-179.800000112.8D85 Q91D85-A87 VanDerWaalsContact C-N 3.26Å; D85-A87 PolarHBondContact O-N 3.3Å; D85-A87 VanDerWaalsContact O-N 3.12Å; A87-Q91 WeakPolarHBondContact O-CG 3.35Å; A87-Q91 PolarHBondContact O-N 3.14Å
88L78.6Confident78.7Confident99 Ų9968 Ų6852%0.51841%0.409SS..Hα-helixtrans-68.9-47.1177.2-17183.6000110D85 L90 Q91 D92D85-L88 HydrophobicContact CB-CB 4.47Å; D85-L88 WeakPolarHBondContact O-CB 3.45Å; D85-L88 PolarHBondContact O-N 3.45Å; L88-L90 PolarHBondContact O-N 3.33Å; L88-Q91 WeakPolarHBondContact O-CB 3.42Å; L88-Q91 PolarHBondContact O-N 3.01Å; L88-D92 PolarHBondContact O-N 3.29Å
89V80.8Confident79.9Confident21 Ų2172.8 Ų72.813%0.12742%0.421CS..Hα-helixtrans-58.7-37.6178.1178.90000111.5A81 D85 D92 A93 V117 Q118 L153A81-V89 HydrophobicContact CB-CG2 3.17Å; D85-V89 HydrophobicContact CB-CG2 4.33Å; D85-V89 VanDerWaalsContact O-CG2 3.31Å; D85-V89 WeakPolarHBondContact O-CG2 3.44Å; D85-V89 PolarHBondContact O-N 3.14Å; V89-D92 PolarHBondContact O-N 2.87Å; V89-A93 PolarHBondContact O-N 3.42Å; V89-A93 VanDerWaalsContact O-N 3.09Å; V89-V117 HydrophobicContact CG1-CG1 3.44Å; V89-V117 VanDerWaalsContact CG1-CG1 3.44Å; V89-Q118 HydrophobicContact CG1-CG 3.88Å; V89-L153 HydrophobicContact CB-CD2 4.42Å; V89-L153 HydrophobicContact CG1-CD2 4.11Å; V89-L153 HydrophobicContact CG2-CD2 4.47Å
90L82.6Confident81Confident13 Ų1367.4 Ų67.47%0.06839%0.388CS..Hα-helixtrans-69.4-34.8176.7-176.561.3000113E86 L88 D92 A93 V117 T143 R144 L147E86-L90 PolarHBondContact O-N 2.82Å; E86-L90 VanDerWaalsContact O-N 3.09Å; L88-L90 PolarHBondContact O-N 3.33Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-A93 WeakPolarHBondContact O-CB 3.42Å; L90-A93 PolarHBondContact O-N 3.11Å; L90-V117 HydrophobicContact CD1-CG2 4.32Å; L90-T143 HydrophobicContact CD1-CG2 3.6Å; L90-R144 HydrophobicContact CD2-CB 3.49Å; L90-R144 VanDerWaalsContact CD2-CB 3.49Å; L90-R144 HydrophobicContact CD2-CG 3.87Å; L90-L147 HydrophobicContact CB-CD1 4.2Å
91Q81.7Confident82.1Confident153 Ų15370 Ų7072%0.71539%0.386SS*.Hα-helixtrans-67.7-38.4175.9-73-174.530.400111.5A87 L88 A93A87-Q91 WeakPolarHBondContact O-CG 3.35Å; A87-Q91 PolarHBondContact O-N 3.14Å; L88-Q91 WeakPolarHBondContact O-CB 3.42Å; L88-Q91 PolarHBondContact O-N 3.01Å; Q91-A93 VanDerWaalsContact C-N 3.28Å; Q91-A93 PolarHBondContact O-N 3.36Å
92D82.5Confident83Confident98 Ų9872 Ų7252%0.52440%0.402SS..SBendtrans-84.3-1.1179.5-71.7-30.6000114L88 V89 L90L88-D92 PolarHBondContact O-N 3.29Å; V89-D92 PolarHBondContact O-N 2.87Å; L90-D92 VanDerWaalsContact C-N 3.34Å
93A86.3Confident83.4Confident14 Ų1469.2 Ų69.212%0.11640%0.403CS..  trans-63.2135.2-176.500000112.5V89 L90 Q91 V117V89-A93 PolarHBondContact O-N 3.42Å; V89-A93 VanDerWaalsContact O-N 3.09Å; L90-A93 WeakPolarHBondContact O-CB 3.42Å; L90-A93 PolarHBondContact O-N 3.11Å; Q91-A93 VanDerWaalsContact C-N 3.28Å; Q91-A93 PolarHBondContact O-N 3.36Å; A93-V117 HydrophobicContact CB-CG2 3.7Å
94D89.4Confident84Confident20 Ų2068.2 Ų68.211%0.10739%0.387CS..EExtended strand (participates in β ladder)trans-63.6138171.5-60-64.3000109.4R71 W114 L115 G116R71-D94 WeakPolarHBondContact CG-OD2 3.34Å; R71-D94 IonicContact CZ-OD2 2.71Å; R71-D94 IonicContact NE-OD2 3.78Å; R71-D94 PolarHBondContact NE-OD2 3.08Å; R71-D94 IonicContact NH2-OD2 3.54Å; D94-W114 HydrophobicContact CB-CH2 4.26Å; D94-W114 HydrophobicContact CB-CZ3 3.76Å; D94-L115 CarbonylContact O-C 3.54Å; D94-L115 VanDerWaalsContact O-CA 3.31Å; D94-L115 WeakPolarHBondContact O-CA 3.45Å; D94-G116 PolarHBondContact N-O 3.49Å; D94-G116 PolarHBondContact O-N 3.09Å
95S93Very high84.5Confident51 Ų5166.7 Ų66.736%0.35737%0.366SS..EExtended strand (participates in β ladder)trans-138.3148178.165.10000111.5W114 R140S95-W114 WeakPolarHBondContact CA-O 3.38Å; S95-R140 PolarHBondContact OG-NH2 3.04Å; S95-R140 VanDerWaalsContact OG-NH2 3.11Å
96G94.1Very high84.9Confident24 Ų2464.4 Ų64.425%0.24735%0.354CS..EExtended strand (participates in β ladder)trans-171.2-179.2175.100000113.8W114G96-W114 VanDerWaalsContact C-NE1 3.33Å; G96-W114 PolarHBondContact N-O 3.1Å; G96-W114 VanDerWaalsContact N-O 3.1Å; G96-W114 VanDerWaalsContact O-CD1 3.27Å; G96-W114 PolarHBondContact O-N 3.38Å; G96-W114 PolarHBondContact O-NE1 2.94Å
97V94.9Very high85.1Confident74 Ų7467.4 Ų67.445%0.44838%0.376SS..EExtended strand (participates in β ladder)trans-127.9131.2178.3-174.30000109.1V112 L113 L132V97-V112 CarbonylContact C-O 3.56Å; V97-V112 WeakPolarHBondContact CA-O 3.38Å; V97-L113 HydrophobicContact CG2-CD2 4.07Å; V97-L113 HydrophobicContact CG2-CG 4.08Å; V97-L132 HydrophobicContact CG1-CD1 4.47Å
98V93.8Very high85.5Confident31 Ų3169.5 Ų69.519%0.18838%0.376CS..EExtended strand (participates in β ladder)trans-112.2127.2171176.90000108.3A66 L100 V112A66-V98 HydrophobicContact CB-CG2 3.72Å; V98-L100 HydrophobicContact CG1-CD2 4.44Å; V98-V112 HydrophobicContact CB-CB 4.3Å; V98-V112 PolarHBondContact N-O 2.88Å; V98-V112 WeakPolarHBondContact O-CB 3.39Å; V98-V112 PolarHBondContact O-N 3.25Å
99R92.2Very high86Confident193 Ų19369.2 Ų69.273%0.72837%0.372SS*.EExtended strand (participates in β ladder)trans-88.8126172.2-75.3-174.6-82.1-179.6-6.7110.1
100L90.3Very high86.5Confident8 Ų868.2 Ų68.24%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-98.8126.2173.9-66.2-179000108.8V59 R62 V98 E104 F106 E109 M110 V112V59-L100 HydrophobicContact CG2-CD1 4.06Å; R62-L100 HydrophobicContact CG-CD2 4.34Å; V98-L100 HydrophobicContact CG1-CD2 4.44Å; L100-E104 WeakPolarHBondContact CB-O 3.29Å; L100-F106 HydrophobicContact CD1-CD2 4.12Å; L100-F106 HydrophobicContact CD1-CE2 4.13Å; L100-E109 WeakPolarHBondContact O-CA 3.47Å; L100-E109 VanDerWaalsContact O-CG 3.3Å; L100-E109 WeakPolarHBondContact O-CG 3.49Å; L100-M110 HydrophobicContact CB-CB 4.22Å; L100-M110 HydrophobicContact CD1-CB 4.47Å; L100-M110 PolarHBondContact N-O 3.46Å; L100-M110 PolarHBondContact O-N 2.97Å; L100-V112 HydrophobicContact CD1-CG2 3.34Å; L100-V112 HydrophobicContact CG-CG2 3.62Å
101R88.4Confident87Confident206 Ų20668.2 Ų68.278%0.77737%0.367SS*.PPolyproline II helixtrans-72.9151.6177.9-64.7-178.4-179.4166.1-0.2110.1G103 E104R101-G103 PolarHBondContact O-N 3.1Å; R101-E104 PolarHBondContact O-N 2.79Å
102A84.8Confident87.7Confident67 Ų6761 Ų6155%0.55433%0.334SS*.THydrogen-bonded Turntrans-51.2129.4167.300000110.1S107A102-S107 WeakPolarHBondContact CB-O 3.49Å
103G76.5Confident88.3Confident61 Ų6156.6 Ų56.663%0.62931%0.31SS*.THydrogen-bonded Turntrans96.1-8.9-175.200000115.3R101 F106R101-G103 PolarHBondContact O-N 3.1Å; G103-F106 WeakPolarHBondContact CA-O 3.45Å; G103-F106 PolarHBondContact N-O 2.84Å
104E76.9Confident88.7Confident104 Ų10456.5 Ų56.549%0.48631%0.307SS..SBendtrans-136.898.4179.2-74.3-171.2-155.600113R62 L100 R101R62-E104 IonicContact NH2-OE2 3.95Å; R62-E104 PolarHBondContact NH2-OE2 3.31Å; L100-E104 WeakPolarHBondContact CB-O 3.29Å; R101-E104 PolarHBondContact O-N 2.79Å
105P78Confident89Confident27 Ų2755.6 Ų55.618%0.17530%0.302CS..SBendcis-97.710.2-17.442-36.9000112.7K55 V58 V59K55-P105 HydrophobicContact CB-CB 4.22Å; K55-P105 HydrophobicContact CB-CG 3.97Å; K55-P105 WeakPolarHBondContact CE-O 3.41Å; K55-P105 HydrophobicContact CG-CB 3.99Å; K55-P105 HydrophobicContact CG-CG 4.21Å; V58-P105 HydrophobicContact CB-CB 4.38Å; V58-P105 HydrophobicContact CB-CG 4.23Å; V58-P105 HydrophobicContact CG1-CB 4.34Å; V58-P105 HydrophobicContact CG1-CG 4.18Å; V59-P105 HydrophobicContact CG2-CG 4.38Å
106F83.8Confident88.8Confident14 Ų1453.2 Ų53.26%0.06129%0.285CS..SBendtrans-98155.2177.8-61.9-81.4000110.4K55 V59 L100 G103 E108 M110 V125K55-F106 HydrophobicContact CD-CD1 4.35Å; K55-F106 HydrophobicContact CD-CE1 4.19Å; V59-F106 HydrophobicContact CG2-CE2 3.96Å; L100-F106 HydrophobicContact CD1-CD2 4.12Å; L100-F106 HydrophobicContact CD1-CE2 4.13Å; G103-F106 WeakPolarHBondContact CA-O 3.45Å; G103-F106 PolarHBondContact N-O 2.84Å; F106-E108 PolarHBondContact O-N 3.37Å; F106-M110 HydrophobicContact CB-CE 3.92Å; F106-M110 HydrophobicContact CB-CG 3.69Å; F106-M110 HydrophobicContact CD1-CE 4.1Å; F106-M110 HydrophobicContact CD2-CB 4.21Å; F106-M110 HydrophobicContact CD2-CG 3.67Å; F106-M110 HydrophobicContact CE2-CG 4.49Å; F106-M110 HydrophobicContact CG-CE 4.03Å; F106-M110 HydrophobicContact CG-CG 3.72Å; F106-V125 HydrophobicContact CD2-CG1 4.34Å; F106-V125 HydrophobicContact CE2-CG1 3.71Å; F106-V125 HydrophobicContact CZ-CG1 3.93Å
107S81.1Confident88.5Confident79 Ų7952.2 Ų52.255%0.55228%0.275SS*.SBendtrans-67.8-28.3177.747.60000112.6E33 A102E33-S107 VanDerWaalsContact CD-OG 3.25Å; E33-S107 PolarHBondContact OE1-N 3.13Å; E33-S107 PolarHBondContact OE1-OG 3.33Å; E33-S107 VanDerWaalsContact OE1-OG 3.09Å; E33-S107 PolarHBondContact OE2-N 3.45Å; A102-S107 WeakPolarHBondContact CB-O 3.49Å
108E85.3Confident88Confident103 Ų10350.1 Ų50.148%0.48126%0.26SS..SBendtrans-105.4163.1179.4-61.9-178.1178.600111F106 M110F106-E108 PolarHBondContact O-N 3.37Å; E108-M110 HydrophobicContact CB-CE 4.42Å
109E89.3Confident87.6Confident92 Ų9250.1 Ų50.143%0.4326%0.261SS..  trans-61.2139.3167.3-173.1177.6176.100109L100 P128L100-E109 WeakPolarHBondContact O-CA 3.47Å; L100-E109 VanDerWaalsContact O-CG 3.3Å; L100-E109 WeakPolarHBondContact O-CG 3.49Å; E109-P128 HydrophobicContact CB-CG 4.29Å; E109-P128 WeakPolarHBondContact O-CD 3.38Å; E109-P128 WeakPolarHBondContact O-CG 3.33Å
110M91.3Very high87.4Confident1 Ų141.1 Ų41.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-133.5147.3179.6-64.8-69-172.100110.6R3 L100 F106 E108 V125 E127R3-M110 HydrophobicContact CG-CE 3.72Å; R3-M110 HydrophobicContact CG-SD 4.11Å; L100-M110 HydrophobicContact CB-CB 4.22Å; L100-M110 HydrophobicContact CD1-CB 4.47Å; L100-M110 PolarHBondContact N-O 3.46Å; L100-M110 PolarHBondContact O-N 2.97Å; F106-M110 HydrophobicContact CB-CE 3.92Å; F106-M110 HydrophobicContact CB-CG 3.69Å; F106-M110 HydrophobicContact CD1-CE 4.1Å; F106-M110 HydrophobicContact CD2-CB 4.21Å; F106-M110 HydrophobicContact CD2-CG 3.67Å; F106-M110 HydrophobicContact CE2-CG 4.49Å; F106-M110 HydrophobicContact CG-CE 4.03Å; F106-M110 HydrophobicContact CG-CG 3.72Å; E108-M110 HydrophobicContact CB-CE 4.42Å; M110-V125 HydrophobicContact CB-CG1 3.96Å; M110-V125 HydrophobicContact CG-CG1 4.23Å; M110-V125 HydrophobicContact SD-CG1 4.49Å; M110-E127 HydrophobicContact CE-CG 4.33Å; M110-E127 HydrophobicContact SD-CG 4.12Å
111S93.9Very high87.4Confident13 Ų1340.7 Ų40.79%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-103.8122.6172.8-68.90000109.9C126S111-C126 PolarHBondContact N-O 2.9Å; S111-C126 PolarHBondContact O-N 3.43Å
112V95.3Very high87.7Confident2 Ų230.9 Ų30.91%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-105.5105.2-179.8-177.20000109V59 V63 V97 V98 L100 T123 L124 V125V59-V112 HydrophobicContact CG1-CG1 3.84Å; V59-V112 HydrophobicContact CG1-CG2 4.3Å; V63-V112 HydrophobicContact CG2-CG1 3.58Å; V97-V112 CarbonylContact C-O 3.56Å; V97-V112 WeakPolarHBondContact CA-O 3.38Å; V98-V112 HydrophobicContact CB-CB 4.3Å; V98-V112 PolarHBondContact N-O 2.88Å; V98-V112 WeakPolarHBondContact O-CB 3.39Å; V98-V112 PolarHBondContact O-N 3.25Å; L100-V112 HydrophobicContact CD1-CG2 3.34Å; L100-V112 HydrophobicContact CG-CG2 3.62Å; V112-T123 HydrophobicContact CG1-CG2 3.31Å; V112-L124 CarbonylContact C-O 3.49Å; V112-L124 VanDerWaalsContact CA-O 3.32Å; V112-L124 WeakPolarHBondContact CA-O 3.34Å; V112-V125 HydrophobicContact CG2-CG1 4.4Å; V112-V125 HydrophobicContact CG2-CG2 4.22Å
113L95.7Very high88.3Confident4 Ų427.7 Ų27.72%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-83.5139170.4-67.6110.2000109.8V97 T123 L124 C126 L132 A135 E136 L139V97-L113 HydrophobicContact CG2-CD2 4.07Å; V97-L113 HydrophobicContact CG2-CG 4.08Å; L113-T123 CarbonylContact O-C 3.51Å; L113-T123 VanDerWaalsContact O-CA 3.3Å; L113-T123 WeakPolarHBondContact O-CA 3.38Å; L113-L124 PolarHBondContact N-O 3.1Å; L113-L124 PolarHBondContact O-N 3.13Å; L113-C126 HydrophobicContact CD1-CB 4.25Å; L113-C126 VanDerWaalsContact CD1-SG 3.54Å; L113-L132 HydrophobicContact CD1-CD2 3.76Å; L113-L132 HydrophobicContact CD2-CB 4.46Å; L113-L132 WeakPolarHBondContact CD2-O 3.36Å; L113-A135 HydrophobicContact CD1-CB 3.61Å; L113-A135 HydrophobicContact CD2-CB 4.44Å; L113-E136 HydrophobicContact CD2-CB 3.81Å; L113-L139 HydrophobicContact CB-CD2 4.04Å
114W95.6Very high89.2Confident13 Ų1324.8 Ų24.85%0.04913%0.132CC..EExtended strand (participates in β ladder)trans-139.8150178.858.7-93.7000112.6V63 A66 V67 D94 S95 G96 F122V63-W114 HydrophobicContact CB-CB 4.47Å; V63-W114 HydrophobicContact CG1-CB 3.45Å; V63-W114 VanDerWaalsContact CG1-CB 3.45Å; V63-W114 HydrophobicContact CG1-CD2 4.37Å; V63-W114 HydrophobicContact CG1-CG 3.77Å; V63-W114 HydrophobicContact CG2-CB 4.22Å; A66-W114 HydrophobicContact CB-CZ2 4.01Å; V67-W114 HydrophobicContact CB-CZ3 4.36Å; V67-W114 HydrophobicContact CG2-CD2 4.01Å; V67-W114 HydrophobicContact CG2-CE3 3.4Å; V67-W114 HydrophobicContact CG2-CH2 4.18Å; V67-W114 HydrophobicContact CG2-CZ3 3.5Å; D94-W114 HydrophobicContact CB-CH2 4.26Å; D94-W114 HydrophobicContact CB-CZ3 3.76Å; S95-W114 WeakPolarHBondContact CA-O 3.38Å; G96-W114 VanDerWaalsContact C-NE1 3.33Å; G96-W114 PolarHBondContact N-O 3.1Å; G96-W114 VanDerWaalsContact N-O 3.1Å; G96-W114 VanDerWaalsContact O-CD1 3.27Å; G96-W114 PolarHBondContact O-N 3.38Å; G96-W114 PolarHBondContact O-NE1 2.94Å; W114-F122 CarbonylContact C-O 3.59Å; W114-F122 VanDerWaalsContact CA-O 3.24Å; W114-F122 WeakPolarHBondContact CA-O 3.3Å
115L94.1Very high90Very high1 Ų119.9 Ų19.91%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-126.2122.5168.9-64.8177.3000109.1D94 G121 F122 L139 R140D94-L115 CarbonylContact O-C 3.54Å; D94-L115 VanDerWaalsContact O-CA 3.31Å; D94-L115 WeakPolarHBondContact O-CA 3.45Å; L115-G121 CarbonylContact O-C 3.57Å; L115-G121 WeakPolarHBondContact O-CA 3.48Å; L115-F122 HydrophobicContact CB-CB 4.38Å; L115-F122 PolarHBondContact N-O 2.76Å; L115-F122 PolarHBondContact O-N 3.46Å; L115-L139 HydrophobicContact CD1-CB 4.33Å; L115-L139 HydrophobicContact CD1-CD2 4.32Å; L115-L139 HydrophobicContact CD1-CG 3.73Å; L115-L139 HydrophobicContact CG-CD2 3.94Å; L115-L139 HydrophobicContact CG-CG 3.91Å; L115-R140 HydrophobicContact CD1-CB 4.27Å; L115-R140 HydrophobicContact CD1-CG 3.6Å; L115-R140 HydrophobicContact CD2-CG 4.32Å
116G90.3Very high90.7Very high1 Ų118.6 Ų18.61%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-98.198.2176.100000111R71 D94 L120R71-G116 PolarHBondContact NH2-O 3.03Å; D94-G116 PolarHBondContact N-O 3.49Å; D94-G116 PolarHBondContact O-N 3.09Å; G116-L120 CarbonylContact C-O 3.58Å
117V87.9Confident91Very high3 Ų319.2 Ų19.22%0.01810%0.104CC..EExtended strand (participates in β ladder)trans-105.6109.4178.3177.40000108.5V89 L90 A93 S119 L120 F122 T143 L147 L153V89-V117 HydrophobicContact CG1-CG1 3.44Å; V89-V117 VanDerWaalsContact CG1-CG1 3.44Å; L90-V117 HydrophobicContact CD1-CG2 4.32Å; A93-V117 HydrophobicContact CB-CG2 3.7Å; V117-S119 PolarHBondContact O-N 3.02Å; V117-L120 CarbonylContact C-O 3.59Å; V117-L120 PolarHBondContact N-O 2.85Å; V117-L120 PolarHBondContact O-N 2.86Å; V117-L120 VanDerWaalsContact O-O 3.06Å; V117-F122 HydrophobicContact CB-CE2 4.37Å; V117-F122 HydrophobicContact CG2-CD2 4.39Å; V117-F122 HydrophobicContact CG2-CE2 4.47Å; V117-T143 HydrophobicContact CG2-CG2 3.81Å; V117-L147 HydrophobicContact CG1-CD1 3.82Å; V117-L147 HydrophobicContact CG1-CD2 4.18Å; V117-L153 HydrophobicContact CG1-CD2 4.41Å
118Q84.4Confident91.2Very high29 Ų2918.6 Ų18.614%0.13610%0.098CC..THydrogen-bonded Turntrans49.1-117.7-175.8-59.4-177.11.200113.1R71 V89 L153R71-Q118 PolarHBondContact NH1-O 2.94Å; R71-Q118 PolarHBondContact NH2-O 3.39Å; V89-Q118 HydrophobicContact CG1-CG 3.88Å; Q118-L153 PolarHBondContact OE1-O 3.34Å; Q118-L153 VanDerWaalsContact OE1-O 3.04Å
119S83.5Confident91.2Very high31 Ų3120 Ų2022%0.21711%0.105CC..THydrogen-bonded Turntrans-86-2.9177.3550000114.7T9 V10 V117T9-S119 CarbonylContact C-O 3.6Å; T9-S119 WeakPolarHBondContact CA-O 3.19Å; V10-S119 WeakPolarHBondContact CG2-O 3.32Å; V10-S119 PolarHBondContact N-O 3.03Å; V117-S119 PolarHBondContact O-N 3.02Å
120L88.5Confident91.1Very high4 Ų417 Ų172%0.0219%0.091CC..EExtended strand (participates in β ladder)trans-108.4142-176.6-60.3-177.9000112.6H8 L24 G116 V117 F122 M152 V159H8-L120 CarbonylContact O-C 3.57Å; H8-L120 WeakPolarHBondContact O-CA 3.49Å; L24-L120 HydrophobicContact CD1-CD2 3.53Å; G116-L120 CarbonylContact C-O 3.58Å; V117-L120 CarbonylContact C-O 3.59Å; V117-L120 PolarHBondContact N-O 2.85Å; V117-L120 PolarHBondContact O-N 2.86Å; V117-L120 VanDerWaalsContact O-O 3.06Å; L120-F122 HydrophobicContact CB-CE2 4.06Å; L120-F122 HydrophobicContact CD1-CE2 4.48Å; L120-M152 HydrophobicContact CD1-CB 4.26Å; L120-M152 WeakPolarHBondContact CD1-O 3.3Å; L120-V159 HydrophobicContact CD1-CG2 4.13Å
121G91.5Very high91.1Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-112.6120.8169.300000109.6I7 H8 L115I7-G121 WeakPolarHBondContact CA-O 3.34Å; H8-G121 PolarHBondContact CD2-O 3.21Å; H8-G121 VanDerWaalsContact CD2-O 3.31Å; H8-G121 PolarHBondContact N-O 3.11Å; H8-G121 PolarHBondContact O-N 3.48Å; L115-G121 CarbonylContact O-C 3.57Å; L115-G121 WeakPolarHBondContact O-CA 3.48Å
122F94.5Very high90.9Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-96.3131.6169.1-66.2-100.2000108F5 I7 W114 L115 V117 L120 L139 T143 C146F5-F122 HydrophobicContact CE2-CD1 4.4Å; F5-F122 HydrophobicContact CZ-CD1 4.07Å; I7-F122 HydrophobicContact CD1-CD1 4.06Å; I7-F122 HydrophobicContact CD1-CE1 3.68Å; I7-F122 HydrophobicContact CG1-CD1 3.86Å; I7-F122 HydrophobicContact CG1-CE1 3.96Å; I7-F122 HydrophobicContact CG2-CE1 4.4Å; W114-F122 CarbonylContact C-O 3.59Å; W114-F122 VanDerWaalsContact CA-O 3.24Å; W114-F122 WeakPolarHBondContact CA-O 3.3Å; L115-F122 HydrophobicContact CB-CB 4.38Å; L115-F122 PolarHBondContact N-O 2.76Å; L115-F122 PolarHBondContact O-N 3.46Å; V117-F122 HydrophobicContact CB-CE2 4.37Å; V117-F122 HydrophobicContact CG2-CD2 4.39Å; V117-F122 HydrophobicContact CG2-CE2 4.47Å; L120-F122 HydrophobicContact CB-CE2 4.06Å; L120-F122 HydrophobicContact CD1-CE2 4.48Å; F122-L139 HydrophobicContact CB-CD1 3.8Å; F122-T143 HydrophobicContact CD1-CG2 4.24Å; F122-T143 HydrophobicContact CD2-CG2 3.62Å; F122-T143 HydrophobicContact CE1-CG2 4.27Å; F122-T143 HydrophobicContact CE2-CG2 3.67Å; F122-T143 HydrophobicContact CG-CG2 3.93Å; F122-T143 WeakPolarHBondContact CG-OG1 3.24Å; F122-T143 HydrophobicContact CZ-CG2 4Å; F122-C146 HydrophobicContact CE1-CB 3.78Å; F122-C146 HydrophobicContact CZ-CB 4.1Å
123T96.3Very high90.6Very high0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-139.5137.8-171.7-58.20000112F5 L6 H8 V59 V63 V112 L113F5-T123 WeakPolarHBondContact CA-O 3.41Å; F5-T123 WeakPolarHBondContact CD2-O 3.46Å; L6-T123 VanDerWaalsContact CD1-CB 3.48Å; L6-T123 HydrophobicContact CD1-CG2 4.11Å; L6-T123 HydrophobicContact CG-CG2 4.19Å; L6-T123 PolarHBondContact N-O 3.25Å; L6-T123 PolarHBondContact O-N 3.14Å; H8-T123 PolarHBondContact NE2-OG1 3.05Å; V59-T123 HydrophobicContact CG1-CG2 3.94Å; V63-T123 HydrophobicContact CG2-CG2 3.81Å; V112-T123 HydrophobicContact CG1-CG2 3.31Å; L113-T123 CarbonylContact O-C 3.51Å; L113-T123 VanDerWaalsContact O-CA 3.3Å; L113-T123 WeakPolarHBondContact O-CA 3.38Å
124L95.4Very high90.4Very high0 Ų031.8 Ų31.80%017%0.168CC..EExtended strand (participates in β ladder)trans-118.9133.5167.9-72172.9000110.2V2 C4 F5 V112 L113 A135 L139 L174V2-L124 HydrophobicContact CG1-CB 4.43Å; V2-L124 HydrophobicContact CG1-CD2 3.67Å; C4-L124 WeakPolarHBondContact O-CA 3.48Å; F5-L124 HydrophobicContact CB-CD2 3.81Å; F5-L124 HydrophobicContact CD2-CD2 3.61Å; F5-L124 HydrophobicContact CD2-CG 4.19Å; F5-L124 HydrophobicContact CG-CD2 4.16Å; V112-L124 CarbonylContact C-O 3.49Å; V112-L124 VanDerWaalsContact CA-O 3.32Å; V112-L124 WeakPolarHBondContact CA-O 3.34Å; L113-L124 PolarHBondContact N-O 3.1Å; L113-L124 PolarHBondContact O-N 3.13Å; L124-A135 WeakPolarHBondContact CD1-O 3.3Å; L124-L139 HydrophobicContact CD1-CB 3.69Å; L124-L139 HydrophobicContact CD1-CD1 4.2Å; L124-L139 HydrophobicContact CD1-CD2 4.5Å; L124-L139 HydrophobicContact CD1-CG 4.32Å; L124-L139 HydrophobicContact CG-CB 4.35Å; L124-L139 HydrophobicContact CG-CD1 3.98Å; L124-L139 HydrophobicContact CG-CD2 4.43Å; L124-L139 HydrophobicContact CG-CG 4.46Å; L124-L174 HydrophobicContact CD2-CD2 4.13Å
125V94.1Very high90.2Very high1 Ų131.2 Ų31.21%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-101.5114.2170-174.80000108.3V2 R3 C4 V59 F106 M110 V112V2-V125 CarbonylContact C-O 3.52Å; V2-V125 VanDerWaalsContact CA-O 3.32Å; V2-V125 WeakPolarHBondContact CA-O 3.34Å; V2-V125 WeakPolarHBondContact CG1-O 3.33Å; R3-V125 HydrophobicContact CB-CB 4.48Å; R3-V125 HydrophobicContact CB-CG1 4.34Å; R3-V125 PolarHBondContact N-O 3.38Å; C4-V125 HydrophobicContact CB-CB 4.13Å; C4-V125 HydrophobicContact CB-CG2 3.97Å; C4-V125 PolarHBondContact O-N 3.27Å; V59-V125 HydrophobicContact CG1-CG2 3.93Å; V59-V125 HydrophobicContact CG2-CG2 4.23Å; F106-V125 HydrophobicContact CD2-CG1 4.34Å; F106-V125 HydrophobicContact CE2-CG1 3.71Å; F106-V125 HydrophobicContact CZ-CG1 3.93Å; M110-V125 HydrophobicContact CB-CG1 3.96Å; M110-V125 HydrophobicContact CG-CG1 4.23Å; M110-V125 HydrophobicContact SD-CG1 4.49Å; V112-V125 HydrophobicContact CG2-CG1 4.4Å; V112-V125 HydrophobicContact CG2-CG2 4.22Å
126C92.8Very high90.1Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-110.6148.1-177.2-64.90000111.2S111 L113 D130 L132S111-C126 PolarHBondContact N-O 2.9Å; S111-C126 PolarHBondContact O-N 3.43Å; L113-C126 HydrophobicContact CD1-CB 4.25Å; L113-C126 VanDerWaalsContact CD1-SG 3.54Å; C126-D130 HydrophobicContact CB-CB 4.02Å; C126-L132 HydrophobicContact CB-CD2 4.36Å
127E90.7Very high90Very high27 Ų2735.3 Ų35.313%0.12619%0.193CC..  trans-72.2159.1171.7-74.8165.9-167.900110.8M1 R3 M110 Q129 D130M1-E127 VanDerWaalsContact N-CD 3.3Å; M1-E127 PolarHBondContact N-OE2 2.79Å; M1-E127 WeakPolarHBondContact O-CG 3.3Å; M1-E127 PolarHBondContact O-N 2.88Å; R3-E127 WeakPolarHBondContact CD-OE1 3.48Å; R3-E127 HydrophobicContact CG-CG 4.16Å; R3-E127 IonicContact NH1-OE1 4Å; M110-E127 HydrophobicContact CE-CG 4.33Å; M110-E127 HydrophobicContact SD-CG 4.12Å; E127-Q129 VanDerWaalsContact C-N 3.26Å; E127-Q129 HydrophobicContact CB-CG 4.44Å; E127-Q129 PolarHBondContact O-N 2.89Å; E127-Q129 PolarHBondContact OE2-NE2 3.45Å; E127-D130 PolarHBondContact N-OD2 3Å; E127-D130 WeakPolarHBondContact O-CB 3.42Å; E127-D130 PolarHBondContact O-N 2.84Å
128P85.5Confident90.1Very high65 Ų6535.3 Ų35.342%0.42219%0.193SC..THydrogen-bonded Turntrans-57.4-35.1-176.3-27.736.7000114.6E109 D130E109-P128 HydrophobicContact CB-CG 4.29Å; E109-P128 WeakPolarHBondContact O-CD 3.38Å; E109-P128 WeakPolarHBondContact O-CG 3.33Å; P128-D130 VanDerWaalsContact C-N 3.27Å; P128-D130 PolarHBondContact O-N 2.69Å
129Q84.8Confident90.5Very high134 Ų13434 Ų3463%0.62619%0.187SC*.THydrogen-bonded Turntrans-75.9-9179.255.7-92.49.300114.6E127E127-Q129 VanDerWaalsContact C-N 3.26Å; E127-Q129 HydrophobicContact CB-CG 4.44Å; E127-Q129 PolarHBondContact O-N 2.89Å; E127-Q129 PolarHBondContact OE2-NE2 3.45Å
130D87.4Confident90.9Very high29 Ų2935.5 Ų35.516%0.15519%0.187CC..SBendtrans-73.5144.9-175.8-74.5-30.1000112.3M1 C126 E127 P128 L132 L179M1-D130 WeakPolarHBondContact CA-OD1 3.23Å; M1-D130 VanDerWaalsContact CA-OD2 3.24Å; M1-D130 WeakPolarHBondContact CA-OD2 3.49Å; M1-D130 PolarHBondContact N-OD1 2.93Å; M1-D130 PolarHBondContact N-OD2 3.48Å; C126-D130 HydrophobicContact CB-CB 4.02Å; E127-D130 PolarHBondContact N-OD2 3Å; E127-D130 WeakPolarHBondContact O-CB 3.42Å; E127-D130 PolarHBondContact O-N 2.84Å; P128-D130 VanDerWaalsContact C-N 3.27Å; P128-D130 PolarHBondContact O-N 2.69Å; D130-L132 PolarHBondContact O-N 3.33Å; D130-L179 HydrophobicContact CB-CD1 4.01Å
131N90.1Very high90.9Very high91 Ų9136.9 Ų36.949%0.48720%0.195SC..  trans-72.8103.3172.8-173.8-33.3000110L133 L134 A135N131-L133 VanDerWaalsContact C-N 3.29Å; N131-L133 PolarHBondContact O-N 2.58Å; N131-L133 WeakPolarHBondContact OD1-CB 3.26Å; N131-L133 PolarHBondContact OD1-N 2.73Å; N131-L134 HydrophobicContact CB-CB 4.01Å; N131-L134 PolarHBondContact O-N 3.47Å; N131-L134 PolarHBondContact OD1-N 2.93Å; N131-L134 VanDerWaalsContact OD1-N 3.13Å; N131-A135 PolarHBondContact O-N 3.42Å
132L90.9Very high90.8Very high63 Ų6337 Ų3733%0.3320%0.195SC..Hα-helixtrans-62.4-32.6-178.5-58.8-178.6000113.2V97 L113 C126 D130 A135 E136V97-L132 HydrophobicContact CG1-CD1 4.47Å; L113-L132 HydrophobicContact CD1-CD2 3.76Å; L113-L132 HydrophobicContact CD2-CB 4.46Å; L113-L132 WeakPolarHBondContact CD2-O 3.36Å; C126-L132 HydrophobicContact CB-CD2 4.36Å; D130-L132 PolarHBondContact O-N 3.33Å; L132-A135 PolarHBondContact O-N 3.5Å; L132-E136 WeakPolarHBondContact O-CB 3.4Å; L132-E136 PolarHBondContact O-N 2.85Å
133L89.4Confident90.5Very high137 Ų13737 Ų3772%0.71720%0.195SC*.Hα-helixtrans-66.4-41.5176.8-66.8170.4000110.9N131 E136 G137N131-L133 VanDerWaalsContact C-N 3.29Å; N131-L133 PolarHBondContact O-N 2.58Å; N131-L133 WeakPolarHBondContact OD1-CB 3.26Å; N131-L133 PolarHBondContact OD1-N 2.73Å; L133-E136 PolarHBondContact O-N 3.35Å; L133-G137 PolarHBondContact O-N 3.11Å
134L90.3Very high90.1Very high39 Ų3940.5 Ų40.520%0.20421%0.209CC..Hα-helixtrans-65.5-43.2175-176.261.9000110.8N131 E136 G137 V138 L179 F181N131-L134 HydrophobicContact CB-CB 4.01Å; N131-L134 PolarHBondContact O-N 3.47Å; N131-L134 PolarHBondContact OD1-N 2.93Å; N131-L134 VanDerWaalsContact OD1-N 3.13Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 2.88Å; L134-G137 PolarHBondContact O-N 3Å; L134-V138 WeakPolarHBondContact O-CG2 3.38Å; L134-V138 PolarHBondContact O-N 2.82Å; L134-L179 HydrophobicContact CD2-CB 3.76Å; L134-L179 HydrophobicContact CG-CB 4.21Å; L134-F181 HydrophobicContact CD1-CD2 4.45Å
135A91.6Very high89.7Confident0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-61.5-41177.100000112.4L113 L124 N131 L132 V138 L139 L179L113-A135 HydrophobicContact CD1-CB 3.61Å; L113-A135 HydrophobicContact CD2-CB 4.44Å; L124-A135 WeakPolarHBondContact CD1-O 3.3Å; N131-A135 PolarHBondContact O-N 3.42Å; L132-A135 PolarHBondContact O-N 3.5Å; A135-V138 PolarHBondContact O-N 3.22Å; A135-L139 WeakPolarHBondContact O-CB 3.41Å; A135-L139 PolarHBondContact O-N 2.92Å; A135-L179 HydrophobicContact CB-CD1 3.86Å; A135-L179 HydrophobicContact CB-CD2 3.99Å
136E91.6Very high89.3Confident59 Ų5941.4 Ų41.428%0.27621%0.213SC..Hα-helixtrans-62.1-45.6174.4-171.4-173.8169.400111.2L113 L132 L133 L134 V138 L139 R140L113-E136 HydrophobicContact CD2-CB 3.81Å; L132-E136 WeakPolarHBondContact O-CB 3.4Å; L132-E136 PolarHBondContact O-N 2.85Å; L133-E136 PolarHBondContact O-N 3.35Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 2.88Å; E136-V138 VanDerWaalsContact C-N 3.32Å; E136-V138 PolarHBondContact O-N 3.41Å; E136-L139 PolarHBondContact O-N 3.35Å; E136-R140 HydrophobicContact CG-CG 4.47Å; E136-R140 WeakPolarHBondContact O-CB 3.26Å; E136-R140 WeakPolarHBondContact O-CG 3.41Å; E136-R140 PolarHBondContact O-N 3.46Å; E136-R140 IonicContact OE1-CZ 3.13Å; E136-R140 VanDerWaalsContact OE1-CZ 3.27Å; E136-R140 IonicContact OE1-NE 3.6Å; E136-R140 PolarHBondContact OE1-NE 3.03Å; E136-R140 IonicContact OE1-NH2 3.76Å; E136-R140 PolarHBondContact OE1-NH2 3.45Å
137G89.4Confident88.8Confident30 Ų3041.5 Ų41.531%0.30921%0.213SC..Hα-helixtrans-58-44175.600000112.4L133 L134 R140 N141L133-G137 PolarHBondContact O-N 3.11Å; L134-G137 PolarHBondContact O-N 3Å; G137-R140 PolarHBondContact O-N 3.24Å; G137-N141 WeakPolarHBondContact O-CB 3.49Å; G137-N141 PolarHBondContact O-N 2.88Å; G137-N141 PolarHBondContact O-ND2 3.35Å
138V90.4Very high88.4Confident3 Ų343.1 Ų43.12%0.01822%0.223CC..Hα-helixtrans-63.6-43.8174.71730000111.2L134 A135 E136 N141 L142 L174 L179L134-V138 WeakPolarHBondContact O-CG2 3.38Å; L134-V138 PolarHBondContact O-N 2.82Å; A135-V138 PolarHBondContact O-N 3.22Å; E136-V138 VanDerWaalsContact C-N 3.32Å; E136-V138 PolarHBondContact O-N 3.41Å; V138-N141 PolarHBondContact O-N 3.32Å; V138-L142 HydrophobicContact CG1-CD1 3.88Å; V138-L142 HydrophobicContact CG1-CG 4.39Å; V138-L142 WeakPolarHBondContact O-CB 3.49Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 2.7Å; V138-L174 HydrophobicContact CG1-CD1 4.27Å; V138-L179 HydrophobicContact CB-CD2 4.27Å; V138-L179 HydrophobicContact CG2-CD2 4.07Å
139L92.8Very high87.7Confident1 Ų142.8 Ų42.81%0.00522%0.218CC..Hα-helixtrans-62.7-43.8178.1-172.548.6000112F5 L113 L115 F122 L124 A135 E136 L142 T143F5-L139 HydrophobicContact CD2-CD1 4.42Å; F5-L139 HydrophobicContact CE2-CD1 3.97Å; L113-L139 HydrophobicContact CB-CD2 4.04Å; L115-L139 HydrophobicContact CD1-CB 4.33Å; L115-L139 HydrophobicContact CD1-CD2 4.32Å; L115-L139 HydrophobicContact CD1-CG 3.73Å; L115-L139 HydrophobicContact CG-CD2 3.94Å; L115-L139 HydrophobicContact CG-CG 3.91Å; F122-L139 HydrophobicContact CB-CD1 3.8Å; L124-L139 HydrophobicContact CD1-CB 3.69Å; L124-L139 HydrophobicContact CD1-CD1 4.2Å; L124-L139 HydrophobicContact CD1-CD2 4.5Å; L124-L139 HydrophobicContact CD1-CG 4.32Å; L124-L139 HydrophobicContact CG-CB 4.35Å; L124-L139 HydrophobicContact CG-CD1 3.98Å; L124-L139 HydrophobicContact CG-CD2 4.43Å; L124-L139 HydrophobicContact CG-CG 4.46Å; A135-L139 WeakPolarHBondContact O-CB 3.41Å; A135-L139 PolarHBondContact O-N 2.92Å; E136-L139 PolarHBondContact O-N 3.35Å; L139-L142 PolarHBondContact O-N 3.41Å; L139-T143 VanDerWaalsContact O-CB 3.3Å; L139-T143 WeakPolarHBondContact O-CB 3.33Å; L139-T143 PolarHBondContact O-N 2.92Å; L139-T143 PolarHBondContact O-OG1 3.02Å
140R90.5Very high87Confident62 Ų6236.4 Ų36.423%0.23419%0.188CC..Hα-helixtrans-63.6-42.1176-73.2-177.2-176.8-80.1-0.9111.2S95 L115 E136 G137 T143 R144S95-R140 PolarHBondContact OG-NH2 3.04Å; S95-R140 VanDerWaalsContact OG-NH2 3.11Å; L115-R140 HydrophobicContact CD1-CB 4.27Å; L115-R140 HydrophobicContact CD1-CG 3.6Å; L115-R140 HydrophobicContact CD2-CG 4.32Å; E136-R140 HydrophobicContact CG-CG 4.47Å; E136-R140 WeakPolarHBondContact O-CB 3.26Å; E136-R140 WeakPolarHBondContact O-CG 3.41Å; E136-R140 PolarHBondContact O-N 3.46Å; E136-R140 IonicContact OE1-CZ 3.13Å; E136-R140 VanDerWaalsContact OE1-CZ 3.27Å; E136-R140 IonicContact OE1-NE 3.6Å; E136-R140 PolarHBondContact OE1-NE 3.03Å; E136-R140 IonicContact OE1-NH2 3.76Å; E136-R140 PolarHBondContact OE1-NH2 3.45Å; G137-R140 PolarHBondContact O-N 3.24Å; R140-T143 PolarHBondContact O-N 3.1Å; R140-R144 WeakPolarHBondContact O-CB 3.5Å; R140-R144 PolarHBondContact O-N 3.29Å
141N88.8Confident86.2Confident34 Ų3440.5 Ų40.518%0.18221%0.206CC..Hα-helixtrans-65.7-44.7176.9-72.2-15.2000112.4G137 V138 T143 R144 H145G137-N141 WeakPolarHBondContact O-CB 3.49Å; G137-N141 PolarHBondContact O-N 2.88Å; G137-N141 PolarHBondContact O-ND2 3.35Å; V138-N141 PolarHBondContact O-N 3.32Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 2.65Å; N141-R144 PolarHBondContact O-N 2.81Å; N141-R144 PolarHBondContact OD1-NH1 2.83Å; N141-R144 PolarHBondContact OD1-NH2 2.77Å; N141-H145 PolarHBondContact O-CD2 3.08Å; N141-H145 PolarHBondContact O-N 3.05Å
142L89.3Confident85.2Confident1 Ų136.2 Ų36.21%0.00518%0.183CC..Hα-helixtrans-58.5-47.1174.2-80.7167.4000111.2F5 V138 L139 R144 H145 C146 L169 L170 L173F5-L142 HydrophobicContact CD2-CD1 4.36Å; F5-L142 HydrophobicContact CE2-CD1 4.23Å; V138-L142 HydrophobicContact CG1-CD1 3.88Å; V138-L142 HydrophobicContact CG1-CG 4.39Å; V138-L142 WeakPolarHBondContact O-CB 3.49Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 2.7Å; L139-L142 PolarHBondContact O-N 3.41Å; L142-R144 PolarHBondContact O-N 3Å; L142-H145 PolarHBondContact O-N 3.3Å; L142-C146 WeakPolarHBondContact O-CB 3.43Å; L142-C146 PolarHBondContact O-N 3.21Å; L142-C146 PolarHBondContact O-SG 2.85Å; L142-L169 HydrophobicContact CD2-CB 4.31Å; L142-L170 HydrophobicContact CD1-CD2 3.77Å; L142-L170 HydrophobicContact CD2-CD2 3.81Å; L142-L170 HydrophobicContact CD2-CG 4.44Å; L142-L170 HydrophobicContact CG-CD2 4.48Å; L142-L173 HydrophobicContact CD2-CB 4.03Å; L142-L173 HydrophobicContact CD2-CD1 3.47Å; L142-L173 VanDerWaalsContact CD2-CD1 3.47Å; L142-L173 HydrophobicContact CD2-CG 4.39Å; L142-L173 HydrophobicContact CG-CB 4.37Å; L142-L173 HydrophobicContact CG-CD1 3.98Å
143T89.6Confident84Confident0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-61.7-46179.6-55.70000110.5L90 V117 F122 L139 R140 N141 H145 C146 L147L90-T143 HydrophobicContact CD1-CG2 3.6Å; V117-T143 HydrophobicContact CG2-CG2 3.81Å; F122-T143 HydrophobicContact CD1-CG2 4.24Å; F122-T143 HydrophobicContact CD2-CG2 3.62Å; F122-T143 HydrophobicContact CE1-CG2 4.27Å; F122-T143 HydrophobicContact CE2-CG2 3.67Å; F122-T143 HydrophobicContact CG-CG2 3.93Å; F122-T143 WeakPolarHBondContact CG-OG1 3.24Å; F122-T143 HydrophobicContact CZ-CG2 4Å; L139-T143 VanDerWaalsContact O-CB 3.3Å; L139-T143 WeakPolarHBondContact O-CB 3.33Å; L139-T143 PolarHBondContact O-N 2.92Å; L139-T143 PolarHBondContact O-OG1 3.02Å; R140-T143 PolarHBondContact O-N 3.1Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 2.65Å; T143-H145 PolarHBondContact O-N 3.25Å; T143-C146 WeakPolarHBondContact O-CB 3.2Å; T143-C146 PolarHBondContact O-N 2.97Å; T143-C146 VanDerWaalsContact O-N 3.11Å; T143-L147 HydrophobicContact CG2-CD1 4.11Å; T143-L147 HydrophobicContact CG2-CG 4.35Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 2.78Å
144R88.1Confident82.8Confident75 Ų7529.6 Ų29.628%0.28316%0.156SC..Hα-helixtrans-53.9-52.5174.8-166.7-175.4-49.2100.87.1112L90 R140 N141 L142 C146 L147 D148L90-R144 HydrophobicContact CD2-CB 3.49Å; L90-R144 VanDerWaalsContact CD2-CB 3.49Å; L90-R144 HydrophobicContact CD2-CG 3.87Å; R140-R144 WeakPolarHBondContact O-CB 3.5Å; R140-R144 PolarHBondContact O-N 3.29Å; N141-R144 PolarHBondContact O-N 2.81Å; N141-R144 PolarHBondContact OD1-NH1 2.83Å; N141-R144 PolarHBondContact OD1-NH2 2.77Å; L142-R144 PolarHBondContact O-N 3Å; R144-C146 VanDerWaalsContact C-N 3.25Å; R144-C146 PolarHBondContact O-N 2.87Å; R144-L147 PolarHBondContact O-N 2.88Å; R144-L147 VanDerWaalsContact O-N 3.12Å; R144-D148 VanDerWaalsContact CG-OD2 3.26Å; R144-D148 WeakPolarHBondContact CG-OD2 3.41Å; R144-D148 WeakPolarHBondContact O-CB 3.32Å; R144-D148 PolarHBondContact O-N 3.22Å
145H85.4Confident81.5Confident19 Ų1936.4 Ų36.49%0.08819%0.187CC..Hα-helixtrans-64.4-30.8179.3-69.6-53.9000113.1N141 L142 T143 N149 L169N141-H145 PolarHBondContact O-CD2 3.08Å; N141-H145 PolarHBondContact O-N 3.05Å; L142-H145 PolarHBondContact O-N 3.3Å; T143-H145 PolarHBondContact O-N 3.25Å; H145-N149 PolarHBondContact ND1-ND2 2.77Å; H145-N149 VanDerWaalsContact O-CB 3.29Å; H145-N149 WeakPolarHBondContact O-CB 3.47Å; H145-N149 PolarHBondContact O-N 2.64Å; H145-N149 VanDerWaalsContact O-N 3.14Å; H145-N149 PolarHBondContact O-ND2 3.44Å; H145-L169 HydrophobicContact CB-CD1 4.03Å; H145-L169 HydrophobicContact CB-CD2 4.02Å
146C85.4Confident80.2Confident1 Ų136.5 Ų36.51%0.00719%0.188CC..Hα-helixtrans-70.1-37.3173.6-690000112.2F122 L142 T143 R144 L150 M152F122-C146 HydrophobicContact CE1-CB 3.78Å; F122-C146 HydrophobicContact CZ-CB 4.1Å; L142-C146 WeakPolarHBondContact O-CB 3.43Å; L142-C146 PolarHBondContact O-N 3.21Å; L142-C146 PolarHBondContact O-SG 2.85Å; T143-C146 WeakPolarHBondContact O-CB 3.2Å; T143-C146 PolarHBondContact O-N 2.97Å; T143-C146 VanDerWaalsContact O-N 3.11Å; R144-C146 VanDerWaalsContact C-N 3.25Å; R144-C146 PolarHBondContact O-N 2.87Å; C146-L150 CarbonylContact O-C 3.57Å; C146-L150 WeakPolarHBondContact O-CA 3.43Å; C146-L150 WeakPolarHBondContact O-CB 3.32Å; C146-L150 PolarHBondContact O-N 2.95Å; C146-M152 HydrophobicContact CB-SD 3.69Å; C146-M152 WeakPolarHBondContact O-CG 3.32Å
147L83.6Confident79Confident1 Ų136.7 Ų36.71%0.00520%0.196CC..Hα-helixtrans-73.8-55.4176.7-62.7178.3000110.6E86 L90 V117 T143 R144 H151 M152 L153E86-L147 HydrophobicContact CB-CB 3.99Å; E86-L147 HydrophobicContact CG-CB 3.99Å; L90-L147 HydrophobicContact CB-CD1 4.2Å; V117-L147 HydrophobicContact CG1-CD1 3.82Å; V117-L147 HydrophobicContact CG1-CD2 4.18Å; T143-L147 HydrophobicContact CG2-CD1 4.11Å; T143-L147 HydrophobicContact CG2-CG 4.35Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 2.78Å; R144-L147 PolarHBondContact O-N 2.88Å; R144-L147 VanDerWaalsContact O-N 3.12Å; L147-H151 WeakPolarHBondContact O-CA 3.38Å; L147-H151 PolarHBondContact O-N 2.75Å; L147-M152 HydrophobicContact CD2-CB 4.3Å; L147-L153 HydrophobicContact CD1-CD2 4.46Å; L147-L153 HydrophobicContact CD2-CD2 3.69Å; L147-L153 HydrophobicContact CD2-CG 4.26Å
148D81.1Confident78.2Confident61 Ų6138 Ų3833%0.32619%0.194SC..Hα-helixtrans-66.7-44.9-171.9-64.2-7.3000112.7E86 R144E86-D148 WeakPolarHBondContact CB-OD1 3.49Å; R144-D148 VanDerWaalsContact CG-OD2 3.26Å; R144-D148 WeakPolarHBondContact CG-OD2 3.41Å; R144-D148 WeakPolarHBondContact O-CB 3.32Å; R144-D148 PolarHBondContact O-N 3.22Å
149N71.1Confident77.3Confident58 Ų5837.9 Ų37.931%0.3119%0.193SC..Hα-helixtrans-97.8-19.5-172-59.3-56.2000113.2H145 M198H145-N149 PolarHBondContact ND1-ND2 2.77Å; H145-N149 VanDerWaalsContact O-CB 3.29Å; H145-N149 WeakPolarHBondContact O-CB 3.47Å; H145-N149 PolarHBondContact O-N 2.64Å; H145-N149 VanDerWaalsContact O-N 3.14Å; H145-N149 PolarHBondContact O-ND2 3.44Å; N149-M198 HydrophobicContact CB-CE 3.4Å; N149-M198 VanDerWaalsContact CB-CE 3.4Å; N149-M198 HydrophobicContact CB-SD 3.47Å; N149-M198 WeakPolarHBondContact CB-SD 3.08Å; N149-M198 PolarHBondContact ND2-SD 3.14Å
150L70.3Confident76.4Confident0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-116.22.6-177.3-49.8174.7000112.5C146 M152 K162 R165 I166 L169 M198C146-L150 CarbonylContact O-C 3.57Å; C146-L150 WeakPolarHBondContact O-CA 3.43Å; C146-L150 WeakPolarHBondContact O-CB 3.32Å; C146-L150 PolarHBondContact O-N 2.95Å; L150-M152 VanDerWaalsContact C-N 3.26Å; L150-M152 HydrophobicContact CB-CE 3.6Å; L150-M152 HydrophobicContact CB-CG 3.89Å; L150-M152 HydrophobicContact CB-SD 4.26Å; L150-M152 HydrophobicContact CD1-CE 3.29Å; L150-M152 HydrophobicContact CD1-SD 4.43Å; L150-M152 HydrophobicContact CG-CE 4.05Å; L150-M152 PolarHBondContact O-N 2.85Å; L150-K162 HydrophobicContact CB-CD 3.7Å; L150-K162 HydrophobicContact CD1-CB 4.4Å; L150-K162 HydrophobicContact CD2-CB 4.22Å; L150-K162 HydrophobicContact CD2-CD 3.97Å; L150-K162 HydrophobicContact CD2-CG 4.43Å; L150-K162 HydrophobicContact CG-CD 4.39Å; L150-K162 WeakPolarHBondContact O-CD 3.3Å; L150-K162 PolarHBondContact O-NZ 3.44Å; L150-R165 HydrophobicContact CD1-CB 4.29Å; L150-R165 HydrophobicContact CD2-CB 3.75Å; L150-R165 VanDerWaalsContact CD2-CD 3.42Å; L150-R165 HydrophobicContact CD2-CG 4.23Å; L150-I166 HydrophobicContact CD1-CG1 3.87Å; L150-L169 HydrophobicContact CD1-CD1 4.2Å; L150-M198 HydrophobicContact CD1-CE 3.95Å; L150-M198 HydrophobicContact CD2-CE 3.41Å; L150-M198 VanDerWaalsContact CD2-CE 3.41Å; L150-M198 HydrophobicContact CG-CE 3.55Å
151H69.7Low75.5Confident116 Ų11644.7 Ų44.754%0.53723%0.233SC..  trans43.450.2176.9-61.7-64.1000112.8E86 L147 L153E86-H151 IonicContact OE1-CE1 2.9Å; E86-H151 IonicContact OE1-ND1 3.9Å; E86-H151 PolarHBondContact OE1-ND1 2.87Å; E86-H151 VanDerWaalsContact OE1-ND1 3.13Å; L147-H151 WeakPolarHBondContact O-CA 3.38Å; L147-H151 PolarHBondContact O-N 2.75Å; H151-L153 PolarHBondContact O-N 3.17Å
152M70.9Confident75.2Confident0 Ų044.9 Ų44.90%023%0.232CC..  trans-81.313.9-171.9-72-177.1177.800114.8L120 C146 L147 L150 G154 E158 V159 K162 I166L120-M152 HydrophobicContact CD1-CB 4.26Å; L120-M152 WeakPolarHBondContact CD1-O 3.3Å; C146-M152 HydrophobicContact CB-SD 3.69Å; C146-M152 WeakPolarHBondContact O-CG 3.32Å; L147-M152 HydrophobicContact CD2-CB 4.3Å; L150-M152 VanDerWaalsContact C-N 3.26Å; L150-M152 HydrophobicContact CB-CE 3.6Å; L150-M152 HydrophobicContact CB-CG 3.89Å; L150-M152 HydrophobicContact CB-SD 4.26Å; L150-M152 HydrophobicContact CD1-CE 3.29Å; L150-M152 HydrophobicContact CD1-SD 4.43Å; L150-M152 HydrophobicContact CG-CE 4.05Å; L150-M152 PolarHBondContact O-N 2.85Å; M152-G154 PolarHBondContact O-N 2.95Å; M152-E158 HydrophobicContact CG-CB 4.43Å; M152-V159 HydrophobicContact CE-CG2 4.41Å; M152-V159 HydrophobicContact CG-CG2 4.24Å; M152-V159 HydrophobicContact SD-CG2 3.86Å; M152-K162 HydrophobicContact CE-CB 4.14Å; M152-I166 HydrophobicContact CE-CD1 3.47Å; M152-I166 VanDerWaalsContact CE-CD1 3.47Å; M152-I166 HydrophobicContact CE-CG1 3.72Å
153L64.6Low74.9Confident30 Ų3047 Ų4716%0.15725%0.247CC..  trans-71.412.9-179.5-63.3176000114.8E86 V89 V117 Q118 L147 H151E86-L153 HydrophobicContact CB-CD1 4.41Å; E86-L153 HydrophobicContact CG-CD1 3.61Å; E86-L153 HydrophobicContact CG-CG 4.12Å; V89-L153 HydrophobicContact CB-CD2 4.42Å; V89-L153 HydrophobicContact CG1-CD2 4.11Å; V89-L153 HydrophobicContact CG2-CD2 4.47Å; V117-L153 HydrophobicContact CG1-CD2 4.41Å; Q118-L153 PolarHBondContact OE1-O 3.34Å; Q118-L153 VanDerWaalsContact OE1-O 3.04Å; L147-L153 HydrophobicContact CD1-CD2 4.46Å; L147-L153 HydrophobicContact CD2-CD2 3.69Å; L147-L153 HydrophobicContact CD2-CG 4.26Å; H151-L153 PolarHBondContact O-N 3.17Å
154G64.8Low74.7Confident32 Ų3250.6 Ų50.633%0.3327%0.272SS..SBendtrans-98.4-167.8-179.900000114.3M152 G156M152-G154 PolarHBondContact O-N 2.95Å; G154-G156 PolarHBondContact O-N 3.41Å
155Q62.8Low74.5Confident182 Ų18252 Ų5285%0.8528%0.277SS*.SBendtrans-67.514.7179.7-62.2-178.6-11.500115
156G64.1Low74.6Confident2 Ų251 Ų512%0.02127%0.273CS..SBendtrans87.9-2.7177.900000116.1G154 E158 V159G154-G156 PolarHBondContact O-N 3.41Å; G156-E158 VanDerWaalsContact C-N 3.28Å; G156-E158 PolarHBondContact O-N 3.31Å; G156-V159 WeakPolarHBondContact O-CB 3.32Å; G156-V159 PolarHBondContact O-N 3.47Å
157S66.4Low74.7Confident63 Ų6353.6 Ų53.644%0.44129%0.286SS..Hα-helixtrans-59.4-38.8173.450.40000112.4V159 L160 L161S157-V159 PolarHBondContact O-N 3.46Å; S157-L160 WeakPolarHBondContact O-CB 3.45Å; S157-L160 PolarHBondContact O-N 3.05Å; S157-L160 VanDerWaalsContact O-N 3.12Å; S157-L161 PolarHBondContact O-N 3.25Å
158E71.8Confident74.9Confident57 Ų5756.5 Ų56.527%0.26630%0.304SS..Hα-helixtrans-60.6-31.9178.4-62.9-53.6116.500112.7M152 G156 L160 L161 K162M152-E158 HydrophobicContact CG-CB 4.43Å; G156-E158 VanDerWaalsContact C-N 3.28Å; G156-E158 PolarHBondContact O-N 3.31Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 3.47Å; E158-L161 PolarHBondContact O-N 2.86Å; E158-K162 WeakPolarHBondContact O-CB 3.45Å; E158-K162 WeakPolarHBondContact O-CG 3.39Å; E158-K162 PolarHBondContact O-N 2.97Å; E158-K162 VanDerWaalsContact OE2-CE 3.23Å; E158-K162 WeakPolarHBondContact OE2-CE 3.46Å; E158-K162 IonicContact OE2-NZ 3.95Å; E158-K162 PolarHBondContact OE2-NZ 3.4Å
159V72.8Confident75.1Confident0 Ų053.7 Ų53.70%029%0.289CS..Hα-helixtrans-64.5-40.2178.2-176.50000110.9I7 L24 L120 M152 G156 S157 K162 S163 I166I7-V159 HydrophobicContact CB-CG1 4.16Å; I7-V159 HydrophobicContact CD1-CG1 4.05Å; I7-V159 HydrophobicContact CG2-CG1 4.05Å; I7-V159 HydrophobicContact CG2-CG2 4.16Å; L24-V159 HydrophobicContact CB-CB 3.95Å; L24-V159 HydrophobicContact CB-CG1 3.64Å; L24-V159 HydrophobicContact CD1-CB 4.12Å; L24-V159 HydrophobicContact CD1-CG1 4.49Å; L24-V159 HydrophobicContact CD1-CG2 3.99Å; L120-V159 HydrophobicContact CD1-CG2 4.13Å; M152-V159 HydrophobicContact CE-CG2 4.41Å; M152-V159 HydrophobicContact CG-CG2 4.24Å; M152-V159 HydrophobicContact SD-CG2 3.86Å; G156-V159 WeakPolarHBondContact O-CB 3.32Å; G156-V159 PolarHBondContact O-N 3.47Å; S157-V159 PolarHBondContact O-N 3.46Å; V159-K162 PolarHBondContact O-N 2.96Å; V159-S163 PolarHBondContact O-N 3.35Å; V159-I166 HydrophobicContact CG1-CD1 4Å
160L73.6Confident76Confident78 Ų7851 Ų5141%0.40828%0.275SS..Hα-helixtrans-68.8-38.5179.2-62.5172.9000111.6L24 S157 E158 K162L24-L160 HydrophobicContact CD2-CG 4.49Å; L24-L160 VanDerWaalsContact O-CD2 3.28Å; L24-L160 WeakPolarHBondContact O-CD2 3.43Å; S157-L160 WeakPolarHBondContact O-CB 3.45Å; S157-L160 PolarHBondContact O-N 3.05Å; S157-L160 VanDerWaalsContact O-N 3.12Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 3.47Å; L160-K162 VanDerWaalsContact C-N 3.34Å
161L70.9Confident76.8Confident129 Ų12954.4 Ų54.468%0.67530%0.299SS*.Hα-helixtrans-73.8-25.4-179.2-64.9175.2000113S157 E158S157-L161 PolarHBondContact O-N 3.25Å; E158-L161 PolarHBondContact O-N 2.86Å
162K82.1Confident77.6Confident37 Ų3751.5 Ų51.516%0.16128%0.283CS..THydrogen-bonded Turntrans-111.315.5-171.7-62.5173-173.8161.30113.4L150 M152 E158 V159 L160 S164 R165 I166L150-K162 HydrophobicContact CB-CD 3.7Å; L150-K162 HydrophobicContact CD1-CB 4.4Å; L150-K162 HydrophobicContact CD2-CB 4.22Å; L150-K162 HydrophobicContact CD2-CD 3.97Å; L150-K162 HydrophobicContact CD2-CG 4.43Å; L150-K162 HydrophobicContact CG-CD 4.39Å; L150-K162 WeakPolarHBondContact O-CD 3.3Å; L150-K162 PolarHBondContact O-NZ 3.44Å; M152-K162 HydrophobicContact CE-CB 4.14Å; E158-K162 WeakPolarHBondContact O-CB 3.45Å; E158-K162 WeakPolarHBondContact O-CG 3.39Å; E158-K162 PolarHBondContact O-N 2.97Å; E158-K162 VanDerWaalsContact OE2-CE 3.23Å; E158-K162 WeakPolarHBondContact OE2-CE 3.46Å; E158-K162 IonicContact OE2-NZ 3.95Å; E158-K162 PolarHBondContact OE2-NZ 3.4Å; V159-K162 PolarHBondContact O-N 2.96Å; L160-K162 VanDerWaalsContact C-N 3.34Å; K162-S164 VanDerWaalsContact C-N 3.27Å; K162-S164 PolarHBondContact O-N 3.24Å; K162-R165 WeakPolarHBondContact O-CB 3.48Å; K162-R165 PolarHBondContact O-N 3.13Å; K162-I166 WeakPolarHBondContact O-CG1 3.4Å; K162-I166 PolarHBondContact O-N 3.19Å; K162-I166 VanDerWaalsContact O-N 3.15Å
163S83.8Confident78.2Confident46 Ų4651.7 Ų51.732%0.32228%0.284SS..Hα-helixtrans-52.6-40.5-178.459.70000113.7V159 R165 I166 D167V159-S163 PolarHBondContact O-N 3.35Å; S163-R165 VanDerWaalsContact C-N 3.32Å; S163-R165 PolarHBondContact O-N 2.71Å; S163-I166 WeakPolarHBondContact O-CB 3.25Å; S163-I166 PolarHBondContact O-N 2.8Å; S163-D167 PolarHBondContact O-N 3.41Å
164S84.8Confident79.4Confident75 Ų7550.3 Ų50.352%0.52428%0.277SS..Hα-helixtrans-62.7-36.2176.858.20000113.2K162 D167 V168K162-S164 VanDerWaalsContact C-N 3.27Å; K162-S164 PolarHBondContact O-N 3.24Å; S164-D167 WeakPolarHBondContact O-CB 3.36Å; S164-D167 PolarHBondContact O-N 3.5Å; S164-V168 WeakPolarHBondContact O-CG2 3.44Å; S164-V168 PolarHBondContact O-N 3.34Å
165R85Confident80.5Confident104 Ų10450.1 Ų50.139%0.39227%0.27SS..Hα-helixtrans-71.8-35.4176.6-62.3-177.7175.3-168.4-3.7111.2L150 K162 S163 D167 V168 L169L150-R165 HydrophobicContact CD1-CB 4.29Å; L150-R165 HydrophobicContact CD2-CB 3.75Å; L150-R165 VanDerWaalsContact CD2-CD 3.42Å; L150-R165 HydrophobicContact CD2-CG 4.23Å; K162-R165 WeakPolarHBondContact O-CB 3.48Å; K162-R165 PolarHBondContact O-N 3.13Å; S163-R165 VanDerWaalsContact C-N 3.32Å; S163-R165 PolarHBondContact O-N 2.71Å; R165-D167 VanDerWaalsContact C-N 3.34Å; R165-V168 PolarHBondContact O-N 3.14Å; R165-L169 WeakPolarHBondContact O-CG 3.3Å; R165-L169 PolarHBondContact O-N 2.85Å
166I86.2Confident81.6Confident0 Ų048.7 Ų48.70%026%0.263CS..Hα-helixtrans-64.1-41.1173.5-55.6168.9000110.3F5 I7 Y25 L150 M152 V159 K162 S163 V168 L169 L170F5-I166 HydrophobicContact CE1-CG2 4.02Å; I7-I166 HydrophobicContact CD1-CD1 3.92Å; Y25-I166 HydrophobicContact CD1-CG2 3.94Å; Y25-I166 HydrophobicContact CD2-CB 4.41Å; Y25-I166 HydrophobicContact CD2-CD1 4.06Å; Y25-I166 HydrophobicContact CD2-CG2 4.39Å; Y25-I166 HydrophobicContact CE1-CB 4.47Å; Y25-I166 HydrophobicContact CE1-CG2 3.6Å; Y25-I166 HydrophobicContact CE2-CB 4.06Å; Y25-I166 HydrophobicContact CE2-CG2 4.07Å; Y25-I166 HydrophobicContact CG-CD1 4.13Å; Y25-I166 HydrophobicContact CG-CG2 4.33Å; L150-I166 HydrophobicContact CD1-CG1 3.87Å; M152-I166 HydrophobicContact CE-CD1 3.47Å; M152-I166 VanDerWaalsContact CE-CD1 3.47Å; M152-I166 HydrophobicContact CE-CG1 3.72Å; V159-I166 HydrophobicContact CG1-CD1 4Å; K162-I166 WeakPolarHBondContact O-CG1 3.4Å; K162-I166 PolarHBondContact O-N 3.19Å; K162-I166 VanDerWaalsContact O-N 3.15Å; S163-I166 WeakPolarHBondContact O-CB 3.25Å; S163-I166 PolarHBondContact O-N 2.8Å; I166-V168 VanDerWaalsContact C-N 3.32Å; I166-V168 PolarHBondContact O-N 3.48Å; I166-L169 WeakPolarHBondContact O-CB 3.38Å; I166-L169 PolarHBondContact O-N 2.94Å; I166-L170 HydrophobicContact CG2-CD1 4.04Å; I166-L170 HydrophobicContact CG2-CG 4.4Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 2.79Å
167D88.1Confident82.7Confident54 Ų5448.6 Ų48.629%0.28926%0.262SS..Hα-helixtrans-58.9-42.9174.8-78.6-47.9000111.9Y25 R27 S163 S164 R165 L170 S171Y25-D167 PolarHBondContact OH-OD1 3.43Å; R27-D167 IonicContact CZ-OD1 3.01Å; R27-D167 IonicContact NE-OD1 2.76Å; R27-D167 IonicContact NH1-OD1 3.27Å; R27-D167 PolarHBondContact NH1-OD1 3.5Å; S163-D167 PolarHBondContact O-N 3.41Å; S164-D167 WeakPolarHBondContact O-CB 3.36Å; S164-D167 PolarHBondContact O-N 3.5Å; R165-D167 VanDerWaalsContact C-N 3.34Å; D167-L170 PolarHBondContact O-N 2.76Å; D167-S171 PolarHBondContact O-N 2.85Å
168V87.4Confident83.7Confident63 Ų6350.7 Ų50.738%0.38227%0.265SS..Hα-helixtrans-63.4-44.3176.7174.70000110.9S164 R165 I166 L170 S171 R172S164-V168 WeakPolarHBondContact O-CG2 3.44Å; S164-V168 PolarHBondContact O-N 3.34Å; R165-V168 PolarHBondContact O-N 3.14Å; I166-V168 VanDerWaalsContact C-N 3.32Å; I166-V168 PolarHBondContact O-N 3.48Å; V168-L170 PolarHBondContact O-N 2.96Å; V168-S171 PolarHBondContact O-N 3.09Å; V168-S171 PolarHBondContact O-OG 3.27Å; V168-R172 PolarHBondContact O-N 3.42Å
169L86.3Confident84.5Confident2 Ų249.5 Ų49.51%0.0126%0.26CS..Hα-helixtrans-57.3-48.1174.6-74.8176000112L142 H145 L150 R165 I166 S171 R172 L173 V194 M198L142-L169 HydrophobicContact CD2-CB 4.31Å; H145-L169 HydrophobicContact CB-CD1 4.03Å; H145-L169 HydrophobicContact CB-CD2 4.02Å; L150-L169 HydrophobicContact CD1-CD1 4.2Å; R165-L169 WeakPolarHBondContact O-CG 3.3Å; R165-L169 PolarHBondContact O-N 2.85Å; I166-L169 WeakPolarHBondContact O-CB 3.38Å; I166-L169 PolarHBondContact O-N 2.94Å; L169-S171 PolarHBondContact O-N 2.76Å; L169-R172 PolarHBondContact O-N 3.35Å; L169-L173 PolarHBondContact O-N 3Å; L169-V194 HydrophobicContact CD2-CB 4.36Å; L169-V194 HydrophobicContact CD2-CG1 3.28Å; L169-V194 HydrophobicContact CD2-CG2 4.17Å; L169-M198 HydrophobicContact CD1-CE 3.73Å; L169-M198 HydrophobicContact CD1-SD 4.33Å; L169-M198 HydrophobicContact CD2-CE 4.19Å; L169-M198 HydrophobicContact CD2-SD 3.73Å; L169-M198 HydrophobicContact CG-CE 4.05Å; L169-M198 HydrophobicContact CG-SD 4.24Å
170L89.1Confident85Confident2 Ų251.7 Ų51.71%0.0127%0.271CS..Hα-helixtrans-64.9-38.7-179.5-71.6170000112.3F5 Y25 R27 F29 L142 I166 D167 V168 R172 L174F5-L170 HydrophobicContact CB-CD2 4.18Å; F5-L170 HydrophobicContact CD1-CD1 3.56Å; F5-L170 HydrophobicContact CD1-CD2 3.76Å; F5-L170 HydrophobicContact CD1-CG 4.22Å; F5-L170 HydrophobicContact CD2-CD2 4.42Å; F5-L170 HydrophobicContact CE1-CD1 4.07Å; F5-L170 HydrophobicContact CE1-CD2 4.18Å; F5-L170 HydrophobicContact CG-CD1 4.32Å; F5-L170 HydrophobicContact CG-CD2 3.86Å; Y25-L170 HydrophobicContact CE1-CD1 3.61Å; Y25-L170 VanDerWaalsContact OH-CD1 3.26Å; Y25-L170 WeakPolarHBondContact OH-CD1 3.19Å; R27-L170 HydrophobicContact CB-CD1 3.8Å; R27-L170 HydrophobicContact CG-CD1 4.07Å; F29-L170 HydrophobicContact CZ-CB 4.37Å; F29-L170 HydrophobicContact CZ-CD1 4.41Å; F29-L170 HydrophobicContact CZ-CD2 4.32Å; L142-L170 HydrophobicContact CD1-CD2 3.77Å; L142-L170 HydrophobicContact CD2-CD2 3.81Å; L142-L170 HydrophobicContact CD2-CG 4.44Å; L142-L170 HydrophobicContact CG-CD2 4.48Å; I166-L170 HydrophobicContact CG2-CD1 4.04Å; I166-L170 HydrophobicContact CG2-CG 4.4Å; I166-L170 WeakPolarHBondContact O-CG 3.35Å; I166-L170 PolarHBondContact O-N 2.79Å; D167-L170 PolarHBondContact O-N 2.76Å; V168-L170 PolarHBondContact O-N 2.96Å; L170-R172 PolarHBondContact O-N 2.88Å; L170-R172 VanDerWaalsContact O-N 3.13Å; L170-L174 CarbonylContact O-C 3.05Å; L170-L174 VanDerWaalsContact O-CA 3.29Å; L170-L174 WeakPolarHBondContact O-CA 3.01Å; L170-L174 PolarHBondContact O-N 3.29Å; L170-L174 VanDerWaalsContact O-O 3.11Å
171S87.9Confident85.2Confident71 Ų7156.2 Ų56.250%0.49729%0.288SS..Hα-helixtrans-60.4-23.6177.169.90000113.6D167 V168 L169D167-S171 PolarHBondContact O-N 2.85Å; V168-S171 PolarHBondContact O-N 3.09Å; V168-S171 PolarHBondContact O-OG 3.27Å; L169-S171 PolarHBondContact O-N 2.76Å
172R86.1Confident85.2Confident55 Ų5551.8 Ų51.821%0.20827%0.265CS..Hα-helixtrans-97.7-46.1-177.8-68.4-178.3179.2-157.9-1.2113.4V168 L169 L170 L190 E193 S197V168-R172 PolarHBondContact O-N 3.42Å; L169-R172 PolarHBondContact O-N 3.35Å; L170-R172 PolarHBondContact O-N 2.88Å; L170-R172 VanDerWaalsContact O-N 3.13Å; R172-L190 HydrophobicContact CB-CD1 4.09Å; R172-E193 IonicContact CZ-OE1 3.71Å; R172-E193 IonicContact NE-OE1 2.82Å; R172-E193 VanDerWaalsContact NH1-CG 3.34Å; R172-E193 PolarHBondContact NH1-O 3.16Å; R172-E193 IonicContact NH1-OE1 2.88Å; R172-E193 IonicContact NH2-OE1 3.8Å; R172-S197 PolarHBondContact NH1-OG 2.85Å; R172-S197 VanDerWaalsContact NH2-CB 3.3Å; R172-S197 PolarHBondContact NH2-OG 2.76Å
173L84.6Confident84.9Confident4 Ų454.4 Ų54.42%0.02128%0.281CS..Hα-helixtrans-81.7-26.2-177.7-72.8161.3000112.3L142 L169 L190L142-L173 HydrophobicContact CD2-CB 4.03Å; L142-L173 HydrophobicContact CD2-CD1 3.47Å; L142-L173 VanDerWaalsContact CD2-CD1 3.47Å; L142-L173 HydrophobicContact CD2-CG 4.39Å; L142-L173 HydrophobicContact CG-CB 4.37Å; L142-L173 HydrophobicContact CG-CD1 3.98Å; L169-L173 PolarHBondContact O-N 3Å; L173-L190 HydrophobicContact CD2-CD2 3.49Å; L173-L190 VanDerWaalsContact CD2-CD2 3.49Å; L173-L190 HydrophobicContact CD2-CG 4.24Å; L173-L190 HydrophobicContact CG-CD2 4.28Å
174L89Confident84.4Confident0 Ų059 Ų590%030%0.297CS..SBendtrans-144.460.9-174.6-163.276.8000111.3V2 F29 L124 V138 L170 H176 G177 Q178 L179V2-L174 HydrophobicContact CB-CD1 4.35Å; V2-L174 HydrophobicContact CB-CD2 3.87Å; V2-L174 HydrophobicContact CG1-CD2 3.89Å; V2-L174 HydrophobicContact CG2-CD1 3.72Å; V2-L174 HydrophobicContact CG2-CD2 3.97Å; V2-L174 HydrophobicContact CG2-CG 4.4Å; F29-L174 HydrophobicContact CD2-CD2 4.21Å; F29-L174 HydrophobicContact CE1-CD2 4.46Å; F29-L174 HydrophobicContact CE2-CD2 3.59Å; F29-L174 HydrophobicContact CZ-CD2 3.72Å; F29-L174 HydrophobicContact CZ-CG 4.49Å; L124-L174 HydrophobicContact CD2-CD2 4.13Å; V138-L174 HydrophobicContact CG1-CD1 4.27Å; L170-L174 CarbonylContact O-C 3.05Å; L170-L174 VanDerWaalsContact O-CA 3.29Å; L170-L174 WeakPolarHBondContact O-CA 3.01Å; L170-L174 PolarHBondContact O-N 3.29Å; L170-L174 VanDerWaalsContact O-O 3.11Å; L174-H176 PolarHBondContact O-N 2.97Å; L174-H176 VanDerWaalsContact O-N 3.14Å; L174-G177 PolarHBondContact O-N 3.4Å; L174-G177 VanDerWaalsContact O-N 3.12Å; L174-Q178 WeakPolarHBondContact CD1-O 3.39Å; L174-L179 HydrophobicContact CD1-CD2 3.74Å; L174-L179 HydrophobicContact CD1-CG 4.36Å
175P87.4Confident84Confident29 Ų2965.3 Ų65.319%0.18831%0.309CS..G310 helixtrans-59.2122-178.226.6-34.3000109.8G177 Q178 L180P175-G177 PolarHBondContact O-N 2.86Å; P175-Q178 WeakPolarHBondContact O-CB 3.33Å; P175-Q178 PolarHBondContact O-N 3.04Å; P175-L180 HydrophobicContact CG-CD1 3.88Å; P175-L180 HydrophobicContact CG-CD2 3.96Å; P175-L180 HydrophobicContact CG-CG 4.07Å
176H86.1Confident83.3Confident151 Ų15164.8 Ų64.870%0.69931%0.31SS*.G310 helixtrans54.621.3-178.7-50.9-70.9000115.4L174L174-H176 PolarHBondContact O-N 2.97Å; L174-H176 VanDerWaalsContact O-N 3.14Å
177G86.8Confident82.6Confident0 Ų065.8 Ų65.80%032%0.318CS..G310 helixtrans86.26.7-176.600000114.2M1 V2 L174 P175M1-G177 VanDerWaalsContact CG-O 3.25Å; M1-G177 WeakPolarHBondContact CG-O 3.24Å; V2-G177 WeakPolarHBondContact CB-O 3.4Å; V2-G177 PolarHBondContact N-O 3.38Å; L174-G177 PolarHBondContact O-N 3.4Å; L174-G177 VanDerWaalsContact O-N 3.12Å; P175-G177 PolarHBondContact O-N 2.86Å
178Q88.8Confident82Confident108 Ų10867.5 Ų67.551%0.50532%0.324SS..  trans-84126.1-179.5-63.1-177.4-28.300111.2L174 P175 L180L174-Q178 WeakPolarHBondContact CD1-O 3.39Å; P175-Q178 WeakPolarHBondContact O-CB 3.33Å; P175-Q178 PolarHBondContact O-N 3.04Å; Q178-L180 PolarHBondContact O-N 2.77Å
179L88.2Confident81.4Confident32 Ų3267.9 Ų67.917%0.16833%0.329CS..  trans-73.3112172.2-66.7170.9000109.3V2 D130 L134 A135 V138 L174V2-L179 HydrophobicContact CG2-CD1 4.49Å; V2-L179 HydrophobicContact CG2-CD2 3.8Å; V2-L179 HydrophobicContact CG2-CG 3.95Å; D130-L179 HydrophobicContact CB-CD1 4.01Å; L134-L179 HydrophobicContact CD2-CB 3.76Å; L134-L179 HydrophobicContact CG-CB 4.21Å; A135-L179 HydrophobicContact CB-CD1 3.86Å; A135-L179 HydrophobicContact CB-CD2 3.99Å; V138-L179 HydrophobicContact CB-CD2 4.27Å; V138-L179 HydrophobicContact CG2-CD2 4.07Å; L174-L179 HydrophobicContact CD1-CD2 3.74Å; L174-L179 HydrophobicContact CD1-CG 4.36Å
180L83.6Confident80.8Confident45 Ų4568.2 Ų68.224%0.23633%0.331CS..  trans-83.3129.3177.4-59.9-179.9000109.9P175 Q178 L182 F186P175-L180 HydrophobicContact CG-CD1 3.88Å; P175-L180 HydrophobicContact CG-CD2 3.96Å; P175-L180 HydrophobicContact CG-CG 4.07Å; Q178-L180 PolarHBondContact O-N 2.77Å; L180-L182 HydrophobicContact CB-CD2 3.77Å; L180-L182 HydrophobicContact CD1-CD2 4.5Å; L180-L182 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact O-N 3.13Å; L180-F186 HydrophobicContact CD1-CE1 4.44Å
181F77.4Confident80.1Confident173 Ų17372 Ų7276%0.75935%0.349SS*.  trans-75.2102.6168.8-169.4-96.4000109.2L134 N183L134-F181 HydrophobicContact CD1-CD2 4.45Å; F181-N183 PolarHBondContact O-N 2.84Å
182L70.9Confident79.5Confident37 Ų3776 Ų7619%0.19436%0.358CS..  trans-87.7108.5-178.4-49.8177.7000109.2L180 F186 A187 L190L180-L182 HydrophobicContact CB-CD2 3.77Å; L180-L182 HydrophobicContact CD1-CD2 4.5Å; L180-L182 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact O-N 3.13Å; L182-F186 HydrophobicContact CB-CD1 4.41Å; L182-F186 HydrophobicContact CD2-CD1 3.33Å; L182-F186 HydrophobicContact CD2-CE1 3.42Å; L182-F186 VanDerWaalsContact CD2-CE1 3.42Å; L182-F186 HydrophobicContact CG-CD1 4.45Å; L182-A187 HydrophobicContact CB-CB 4.18Å; L182-L190 HydrophobicContact CD1-CD2 4.18Å; L182-L190 HydrophobicContact CD2-CD2 3.88Å
183N76.4Confident79.1Confident92 Ų9278 Ų7849%0.49237%0.369SS..  trans-70.6159.7163.57033.4000109.7F181 R185 F186 A187F181-N183 PolarHBondContact O-N 2.84Å; N183-R185 PolarHBondContact O-N 3.07Å; N183-R185 VanDerWaalsContact O-N 3.14Å; N183-R185 PolarHBondContact OD1-N 3.19Å; N183-F186 PolarHBondContact O-N 2.97Å; N183-F186 WeakPolarHBondContact OD1-CB 3.4Å; N183-F186 PolarHBondContact OD1-N 3.35Å; N183-A187 PolarHBondContact O-N 3.02Å
184H72.9Confident78.6Confident142 Ų14277.9 Ų77.966%0.65737%0.368SS*.Hα-helixtrans-53.3-39.3-175.8176.6-83.4000113.4Q188H184-Q188 VanDerWaalsContact CE1-CD 3.44Å; H184-Q188 PolarHBondContact CE1-NE2 2.83Å; H184-Q188 PolarHBondContact NE2-NE2 3.34Å; H184-Q188 WeakPolarHBondContact O-CG 3.25Å; H184-Q188 PolarHBondContact O-N 3.06Å; H184-Q188 VanDerWaalsContact O-N 3.15Å
185R75.3Confident77.9Confident208 Ų20880.2 Ų80.279%0.78539%0.388SS*.Hα-helixtrans-68.2-39.2178.7-173-174.8-72.3-173.4-2111.8N183 S189N183-R185 PolarHBondContact O-N 3.07Å; N183-R185 VanDerWaalsContact O-N 3.14Å; N183-R185 PolarHBondContact OD1-N 3.19Å; R185-S189 PolarHBondContact O-N 3.12Å
186F71.7Confident77.2Confident93 Ų9381.9 Ų81.941%0.40840%0.4SS..Hα-helixtrans-74.7-39.3-179.2-169.9-100.9000111.1L180 L182 N183 Q188 S189 L190L180-F186 HydrophobicContact CD1-CE1 4.44Å; L182-F186 HydrophobicContact CB-CD1 4.41Å; L182-F186 HydrophobicContact CD2-CD1 3.33Å; L182-F186 HydrophobicContact CD2-CE1 3.42Å; L182-F186 VanDerWaalsContact CD2-CE1 3.42Å; L182-F186 HydrophobicContact CG-CD1 4.45Å; N183-F186 PolarHBondContact O-N 2.97Å; N183-F186 WeakPolarHBondContact OD1-CB 3.4Å; N183-F186 PolarHBondContact OD1-N 3.35Å; F186-Q188 PolarHBondContact O-N 2.93Å; F186-S189 PolarHBondContact O-N 3.14Å; F186-L190 HydrophobicContact CE1-CD2 4.46Å; F186-L190 VanDerWaalsContact O-CB 3.24Å; F186-L190 WeakPolarHBondContact O-CB 3.39Å; F186-L190 PolarHBondContact O-N 3.15Å
187A71.4Confident76.3Confident21 Ų2176.3 Ų76.317%0.17438%0.379CS..Hα-helixtrans-55.8-49.7170.800000111.3L182 N183 S189 L190 E191L182-A187 HydrophobicContact CB-CB 4.18Å; N183-A187 PolarHBondContact O-N 3.02Å; A187-S189 PolarHBondContact O-N 3.28Å; A187-L190 PolarHBondContact O-N 3.45Å; A187-E191 WeakPolarHBondContact O-CB 3.34Å; A187-E191 VanDerWaalsContact O-CG 3.3Å; A187-E191 WeakPolarHBondContact O-CG 3.35Å; A187-E191 PolarHBondContact O-N 2.84Å
188Q74.4Confident75.3Confident90 Ų9077.5 Ų77.542%0.42138%0.384SS..Hα-helixtrans-63-38.1177.1-74.3-173.6-14.100113.5H184 F186 K192H184-Q188 VanDerWaalsContact CE1-CD 3.44Å; H184-Q188 PolarHBondContact CE1-NE2 2.83Å; H184-Q188 PolarHBondContact NE2-NE2 3.34Å; H184-Q188 WeakPolarHBondContact O-CG 3.25Å; H184-Q188 PolarHBondContact O-N 3.06Å; H184-Q188 VanDerWaalsContact O-N 3.15Å; F186-Q188 PolarHBondContact O-N 2.93Å; Q188-K192 WeakPolarHBondContact O-CG 3.24Å; Q188-K192 PolarHBondContact O-N 3.24Å; Q188-K192 VanDerWaalsContact O-N 3.14Å
189S75.8Confident73.9Confident70 Ų7076.6 Ų76.649%0.4940%0.395SS..Hα-helixtrans-66.9-42.5176.5-167.50000111.1R185 F186 A187 K192 E193R185-S189 PolarHBondContact O-N 3.12Å; F186-S189 PolarHBondContact O-N 3.14Å; A187-S189 PolarHBondContact O-N 3.28Å; S189-K192 PolarHBondContact O-N 3.05Å; S189-E193 PolarHBondContact O-N 2.84Å
190L73.1Confident71.9Confident9 Ų985.8 Ų85.85%0.04743%0.434CS..Hα-helixtrans-66.5-40.6179.3-169.663.8000111.2R172 L173 L182 F186 A187 K192 E193 V194R172-L190 HydrophobicContact CB-CD1 4.09Å; L173-L190 HydrophobicContact CD2-CD2 3.49Å; L173-L190 VanDerWaalsContact CD2-CD2 3.49Å; L173-L190 HydrophobicContact CD2-CG 4.24Å; L173-L190 HydrophobicContact CG-CD2 4.28Å; L182-L190 HydrophobicContact CD1-CD2 4.18Å; L182-L190 HydrophobicContact CD2-CD2 3.88Å; F186-L190 HydrophobicContact CE1-CD2 4.46Å; F186-L190 VanDerWaalsContact O-CB 3.24Å; F186-L190 WeakPolarHBondContact O-CB 3.39Å; F186-L190 PolarHBondContact O-N 3.15Å; A187-L190 PolarHBondContact O-N 3.45Å; L190-K192 PolarHBondContact O-N 2.99Å; L190-E193 PolarHBondContact O-N 3.25Å; L190-V194 WeakPolarHBondContact O-CB 3.29Å; L190-V194 VanDerWaalsContact O-CG2 3.25Å; L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 3.47Å
191E73.4Confident71.4Confident81 Ų8187.8 Ų87.838%0.37944%0.444SS..Hα-helixtrans-59.1-45.6173.3-77.5171.6-175.500111.6A187 E193 V194 A195A187-E191 WeakPolarHBondContact O-CB 3.34Å; A187-E191 VanDerWaalsContact O-CG 3.3Å; A187-E191 WeakPolarHBondContact O-CG 3.35Å; A187-E191 PolarHBondContact O-N 2.84Å; E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.4Å; E191-V194 PolarHBondContact O-N 2.77Å; E191-A195 WeakPolarHBondContact O-CB 3.24Å; E191-A195 PolarHBondContact O-N 2.72Å
192K76.8Confident71Confident157 Ų15783.3 Ų83.368%0.68343%0.427SS*.Hα-helixtrans-62.2-42.4175.1-74.3177.1-177.7-1780111.9Q188 S189 L190 S196Q188-K192 WeakPolarHBondContact O-CG 3.24Å; Q188-K192 PolarHBondContact O-N 3.24Å; Q188-K192 VanDerWaalsContact O-N 3.14Å; S189-K192 PolarHBondContact O-N 3.05Å; L190-K192 PolarHBondContact O-N 2.99Å; K192-S196 WeakPolarHBondContact O-CB 3.35Å; K192-S196 PolarHBondContact O-N 3.03Å
193E76.8Confident71Confident95 Ų9585.9 Ų85.944%0.44444%0.44SS..Hα-helixtrans-64.2-48.1178.8-146.7-165.8144.500110.4R172 S189 L190 E191 S196 S197R172-E193 IonicContact CZ-OE1 3.71Å; R172-E193 IonicContact NE-OE1 2.82Å; R172-E193 VanDerWaalsContact NH1-CG 3.34Å; R172-E193 PolarHBondContact NH1-O 3.16Å; R172-E193 IonicContact NH1-OE1 2.88Å; R172-E193 IonicContact NH2-OE1 3.8Å; S189-E193 PolarHBondContact O-N 2.84Å; L190-E193 PolarHBondContact O-N 3.25Å; E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.4Å; E193-S196 PolarHBondContact O-N 3.2Å; E193-S196 PolarHBondContact O-OG 3.13Å; E193-S197 WeakPolarHBondContact O-CB 3.39Å; E193-S197 PolarHBondContact O-N 2.67Å; E193-S197 VanDerWaalsContact O-N 3.1Å; E193-S197 PolarHBondContact O-OG 3.33Å
194V74.2Confident70.7Confident2 Ų285.5 Ų85.51%0.01244%0.437CS..Hα-helixtrans-56.5-51.3176.6163.80000110.4L169 L190 E191 S196 S197 M198L169-V194 HydrophobicContact CD2-CB 4.36Å; L169-V194 HydrophobicContact CD2-CG1 3.28Å; L169-V194 HydrophobicContact CD2-CG2 4.17Å; L190-V194 WeakPolarHBondContact O-CB 3.29Å; L190-V194 VanDerWaalsContact O-CG2 3.25Å; L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 3.47Å; E191-V194 PolarHBondContact O-N 2.77Å; V194-S196 VanDerWaalsContact C-N 3.33Å; V194-S196 PolarHBondContact O-N 3.19Å; V194-S197 PolarHBondContact O-N 3.43Å; V194-S197 VanDerWaalsContact O-N 3.08Å; V194-M198 HydrophobicContact CG1-CG 4.47Å; V194-M198 HydrophobicContact CG1-SD 3.81Å; V194-M198 WeakPolarHBondContact O-CG 3.48Å; V194-M198 PolarHBondContact O-N 2.83Å
195A73.8Confident70.6Confident50 Ų5082 Ų8241%0.41342%0.423SS..Hα-helixtrans-57-45.1177.400000112.1E191 S197 M198 A199E191-A195 WeakPolarHBondContact O-CB 3.24Å; E191-A195 PolarHBondContact O-N 2.72Å; A195-S197 PolarHBondContact O-N 3.13Å; A195-M198 PolarHBondContact O-N 2.99Å; A195-A199 PolarHBondContact O-N 3.45Å; A195-A199 VanDerWaalsContact O-N 3.14Å
196S73.9Confident70.3Confident63 Ų6373.6 Ų73.644%0.44140%0.399SS..Hα-helixtrans-62.9-27.3179.276.20000113.8K192 E193 V194K192-S196 WeakPolarHBondContact O-CB 3.35Å; K192-S196 PolarHBondContact O-N 3.03Å; E193-S196 PolarHBondContact O-N 3.2Å; E193-S196 PolarHBondContact O-OG 3.13Å; V194-S196 VanDerWaalsContact C-N 3.33Å; V194-S196 PolarHBondContact O-N 3.19Å
197S66.1Low70.2Confident35 Ų3572.2 Ų72.225%0.24540%0.398CS..Hα-helixtrans-95.3-14.1-175.2-57.80000113R172 E193 V194 A195R172-S197 PolarHBondContact NH1-OG 2.85Å; R172-S197 VanDerWaalsContact NH2-CB 3.3Å; R172-S197 PolarHBondContact NH2-OG 2.76Å; E193-S197 WeakPolarHBondContact O-CB 3.39Å; E193-S197 PolarHBondContact O-N 2.67Å; E193-S197 VanDerWaalsContact O-N 3.1Å; E193-S197 PolarHBondContact O-OG 3.33Å; V194-S197 PolarHBondContact O-N 3.43Å; V194-S197 VanDerWaalsContact O-N 3.08Å; A195-S197 PolarHBondContact O-N 3.13Å
198M65.6Low70.1Confident24 Ų2476.2 Ų76.212%0.11842%0.416CS..Hα-helixtrans-90.4-17169.1-62.5-176.396.200112.6N149 L150 L169 V194 A195 K200N149-M198 HydrophobicContact CB-CE 3.4Å; N149-M198 VanDerWaalsContact CB-CE 3.4Å; N149-M198 HydrophobicContact CB-SD 3.47Å; N149-M198 WeakPolarHBondContact CB-SD 3.08Å; N149-M198 PolarHBondContact ND2-SD 3.14Å; L150-M198 HydrophobicContact CD1-CE 3.95Å; L150-M198 HydrophobicContact CD2-CE 3.41Å; L150-M198 VanDerWaalsContact CD2-CE 3.41Å; L150-M198 HydrophobicContact CG-CE 3.55Å; L169-M198 HydrophobicContact CD1-CE 3.73Å; L169-M198 HydrophobicContact CD1-SD 4.33Å; L169-M198 HydrophobicContact CD2-CE 4.19Å; L169-M198 HydrophobicContact CD2-SD 3.73Å; L169-M198 HydrophobicContact CG-CE 4.05Å; L169-M198 HydrophobicContact CG-SD 4.24Å; V194-M198 HydrophobicContact CG1-CG 4.47Å; V194-M198 HydrophobicContact CG1-SD 3.81Å; V194-M198 WeakPolarHBondContact O-CG 3.48Å; V194-M198 PolarHBondContact O-N 2.83Å; A195-M198 PolarHBondContact O-N 2.99Å; M198-K200 VanDerWaalsContact C-N 3.32Å
199A60Low69.7Low89 Ų8975 Ų7574%0.73642%0.415SS*.  trans-82.1-5.917400000114.2A195A195-A199 PolarHBondContact O-N 3.45Å; A195-A199 VanDerWaalsContact O-N 3.14Å
200K47.2Very low69.2Low225 Ų22575.5 Ų75.598%0.97841%0.409SS*.  trans-1010172.9-74.5-179.6177.6176.80110.3M198M198-K200 VanDerWaalsContact C-N 3.32Å

Retrieved 200 of 200 residues in 231.8 ms (Link to these results)

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