A0A093JNG3_STRCA Loading...

Testis-expressed sequence 264 protein

AlphaFold DB , UniProt , Accession A0A093JNG3, Species STRCA (Struthio camelus australis), Gene n/a, Length 321 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
1M64.8Low89.9Confident199 Ų199106.8 Ų106.898%0.9858%0.582SS**  0-44.90-92178.8-86.100111.3D3 V5M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.08Å; M1-V5 WeakPolarHBondContact O-CG2 3.46Å; M1-V5 PolarHBondContact O-N 3.18Å
2S81.8Confident90.5Very high83 Ų83106.6 Ų106.658%0.5859%0.586SS**Hα-helixtrans-52.1-41.5171.647.10000114V5 L6S2-V5 PolarHBondContact O-N 3.02Å; S2-L6 WeakPolarHBondContact O-CB 3.45Å; S2-L6 PolarHBondContact O-N 3.45Å
3D87.3Confident91Very high107 Ų107106.8 Ų106.857%0.57259%0.585SS**Hα-helixtrans-73.5-36-170.1-49.6-19000112.5M1 L6 L7M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.08Å; D3-L6 PolarHBondContact O-N 3.35Å; D3-L7 WeakPolarHBondContact O-CB 3.36Å; D3-L7 VanDerWaalsContact O-CG 3.26Å; D3-L7 WeakPolarHBondContact O-CG 3.34Å; D3-L7 PolarHBondContact O-N 3.14Å
4W92.2Very high91.4Very high205 Ų205104.2 Ų104.278%0.77757%0.574SS**Hα-helixtrans-69.1-35.5173.5-66.7110.1000112.3L7 G8W4-L7 HydrophobicContact CE3-CD1 4.26Å; W4-L7 HydrophobicContact CZ3-CD1 4.48Å; W4-G8 PolarHBondContact O-N 3.06Å
5V92Very high91.9Very high105 Ų105102.9 Ų102.964%0.63657%0.57SS**Hα-helixtrans-67.6-42.5173.7174.70000110.5M1 S2 G8 L9M1-V5 WeakPolarHBondContact O-CG2 3.46Å; M1-V5 PolarHBondContact O-N 3.18Å; S2-V5 PolarHBondContact O-N 3.02Å; V5-G8 PolarHBondContact O-N 3.39Å; V5-L9 WeakPolarHBondContact O-CB 3.37Å; V5-L9 PolarHBondContact O-N 3.39Å
6L93.1Very high92.2Very high101 Ų101103 Ų10353%0.52957%0.568SS.*Hα-helixtrans-63.6-46.2176.2-177.363.8000111.6S2 D3 G8 L9 I10S2-L6 WeakPolarHBondContact O-CB 3.45Å; S2-L6 PolarHBondContact O-N 3.45Å; D3-L6 PolarHBondContact O-N 3.35Å; L6-G8 VanDerWaalsContact C-N 3.31Å; L6-G8 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 3.23Å; L6-I10 HydrophobicContact CD1-CD1 4.46Å; L6-I10 HydrophobicContact CG-CD1 4.08Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 3.26Å
7L94.3Very high92.5Very high104 Ų104103.4 Ų103.455%0.54557%0.569SS.*Hα-helixtrans-60.9-40.6174.9-75.4170.3000111.8D3 W4 I10 G11D3-L7 WeakPolarHBondContact O-CB 3.36Å; D3-L7 VanDerWaalsContact O-CG 3.26Å; D3-L7 WeakPolarHBondContact O-CG 3.34Å; D3-L7 PolarHBondContact O-N 3.14Å; W4-L7 HydrophobicContact CE3-CD1 4.26Å; W4-L7 HydrophobicContact CZ3-CD1 4.48Å; L7-I10 PolarHBondContact O-N 2.82Å; L7-G11 PolarHBondContact O-N 3.03Å
8G94.5Very high92.8Very high39 Ų39103.8 Ų103.840%0.40257%0.57SS.*Hα-helixtrans-60.5-45.1173.300000112.2W4 V5 L6 G11 V12W4-G8 PolarHBondContact O-N 3.06Å; V5-G8 PolarHBondContact O-N 3.39Å; L6-G8 VanDerWaalsContact C-N 3.31Å; L6-G8 PolarHBondContact O-N 3.22Å; G8-G11 PolarHBondContact O-N 3.27Å; G8-V12 WeakPolarHBondContact O-CG2 3.46Å; G8-V12 PolarHBondContact O-N 3.04Å
9L95.5Very high93Very high115 Ų115104.1 Ų104.160%0.60257%0.569SS**Hα-helixtrans-65.7-40.3178.7-168.9143.9000112.1V5 L6 G11 V12 L13V5-L9 WeakPolarHBondContact O-CB 3.37Å; V5-L9 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.23Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 PolarHBondContact O-N 3.08Å
10I96.2Very high93.1Very high82 Ų82103.3 Ų103.342%0.42157%0.568SS.*Hα-helixtrans-61.3-44.8172.2-67164.4000110.2L6 L7 V12 L13 V14L6-I10 HydrophobicContact CD1-CD1 4.46Å; L6-I10 HydrophobicContact CG-CD1 4.08Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 3.26Å; L7-I10 PolarHBondContact O-N 2.82Å; I10-V12 PolarHBondContact O-N 3.02Å; I10-L13 PolarHBondContact O-N 3.34Å; I10-V14 HydrophobicContact CG2-CG2 4.33Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.44Å; I10-V14 PolarHBondContact O-N 3.12Å
11G97Very high93.2Very high35 Ų35102.5 Ų102.536%0.36157%0.566SS.*Hα-helixtrans-58.2-47.8176.600000112.5L7 G8 L9 L13 V14 V15L7-G11 PolarHBondContact O-N 3.03Å; G8-G11 PolarHBondContact O-N 3.27Å; L9-G11 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 3.43Å; G11-V14 PolarHBondContact O-N 3.02Å; G11-V15 WeakPolarHBondContact O-CG2 3.49Å; G11-V15 PolarHBondContact O-N 3.22Å
12V97.1Very high94.7Very high104 Ų10498.3 Ų98.363%0.6354%0.542SS*.Hα-helixtrans-60.7-43.9175.9172.50000111.3G8 L9 I10 V14 V15 L16G8-V12 WeakPolarHBondContact O-CG2 3.46Å; G8-V12 PolarHBondContact O-N 3.04Å; L9-V12 PolarHBondContact O-N 3.31Å; I10-V12 PolarHBondContact O-N 3.02Å; V12-V14 PolarHBondContact O-N 3.44Å; V12-V15 PolarHBondContact O-N 2.63Å; V12-L16 WeakPolarHBondContact O-CB 3.37Å; V12-L16 PolarHBondContact O-N 3.49Å
13L97.1Very high95.2Very high109 Ų10996.1 Ų96.157%0.57153%0.533SS*.Hα-helixtrans-61.4-44.6177.9-179.865.8000111.8L9 I10 G11 L16 L17L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 PolarHBondContact O-N 3.08Å; I10-L13 PolarHBondContact O-N 3.34Å; G11-L13 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 3.35Å
14V97.6Very high95.5Very high71 Ų7195.7 Ų95.743%0.4353%0.526SS..Hα-helixtrans-63.1-44.2177.5170.90000110.7I10 G11 V12 L16 L17 L18I10-V14 HydrophobicContact CG2-CG2 4.33Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.44Å; I10-V14 PolarHBondContact O-N 3.12Å; G11-V14 PolarHBondContact O-N 3.02Å; V12-V14 PolarHBondContact O-N 3.44Å; V14-L16 VanDerWaalsContact C-N 3.35Å; V14-L16 PolarHBondContact O-N 3.08Å; V14-L17 PolarHBondContact O-N 3.01Å; V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 3.31Å
15V97.8Very high95.5Very high85 Ų8586.8 Ų86.852%0.51550%0.496SS..Hα-helixtrans-61.2-44.4176.4171.70000110.9G11 V12 L17 L18 L19G11-V15 WeakPolarHBondContact O-CG2 3.49Å; G11-V15 PolarHBondContact O-N 3.22Å; V12-V15 PolarHBondContact O-N 2.63Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.66Å; V15-L18 PolarHBondContact O-N 3Å; V15-L19 HydrophobicContact CG1-CD1 4.11Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 2.94Å
16L97.5Very high95.5Very high104 Ų10484.4 Ų84.455%0.54548%0.482SS..Hα-helixtrans-63.2-40.6177.8-171.266.5000111.9V12 L13 V14 L19 T20V12-L16 WeakPolarHBondContact O-CB 3.37Å; V12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.39Å; V14-L16 VanDerWaalsContact C-N 3.35Å; V14-L16 PolarHBondContact O-N 3.08Å; L16-L19 PolarHBondContact O-N 3.49Å; L16-T20 WeakPolarHBondContact O-CB 3.29Å; L16-T20 PolarHBondContact O-N 3.44Å; L16-T20 PolarHBondContact O-OG1 3.49Å
17L97.3Very high95.5Very high109 Ų10987 Ų8757%0.57149%0.485SS*.Hα-helixtrans-62-46.8174.8-177.467.6000111.1L13 V14 V15 L19 T20 V21L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 3.35Å; V14-L17 PolarHBondContact O-N 3.01Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.66Å; L17-L19 PolarHBondContact O-N 2.92Å; L17-T20 WeakPolarHBondContact O-CB 3.39Å; L17-T20 PolarHBondContact O-N 3.45Å; L17-T20 VanDerWaalsContact O-N 3.15Å; L17-V21 WeakPolarHBondContact O-CG2 3.15Å; L17-V21 PolarHBondContact O-N 3.39Å
18L97.1Very high95.3Very high112 Ų11282 Ų8259%0.58646%0.46SS*.Hα-helixtrans-61.5-42.5177.7-71.6174.2000111.9V14 V15 T20 V21 F22V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 3.31Å; V15-L18 PolarHBondContact O-N 3Å; L18-T20 VanDerWaalsContact C-N 3.3Å; L18-T20 PolarHBondContact O-N 2.89Å; L18-V21 PolarHBondContact O-N 2.88Å; L18-F22 VanDerWaalsContact O-CB 3.23Å; L18-F22 WeakPolarHBondContact O-CB 2.93Å; L18-F22 PolarHBondContact O-N 3Å
19L97.3Very high95.1Very high108 Ų10880.2 Ų80.257%0.56544%0.441SS*.Hα-helixtrans-62.4-38.2174.7-72.2173.6000111.8V15 L16 L17 G23V15-L19 HydrophobicContact CG1-CD1 4.11Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.49Å; L17-L19 PolarHBondContact O-N 2.92Å; L19-G23 PolarHBondContact O-N 3.29Å
20T95.8Very high94.8Very high88 Ų8877.2 Ų77.254%0.5443%0.425SS..Hα-helixtrans-67.4-46.6177.4-52.50000111.2L16 L17 L18 F22 G23 F24L16-T20 WeakPolarHBondContact O-CB 3.29Å; L16-T20 PolarHBondContact O-N 3.44Å; L16-T20 PolarHBondContact O-OG1 3.49Å; L17-T20 WeakPolarHBondContact O-CB 3.39Å; L17-T20 PolarHBondContact O-N 3.45Å; L17-T20 VanDerWaalsContact O-N 3.15Å; L18-T20 VanDerWaalsContact C-N 3.3Å; L18-T20 PolarHBondContact O-N 2.89Å; T20-F22 VanDerWaalsContact C-N 3.33Å; T20-F22 PolarHBondContact O-N 3.46Å; T20-G23 PolarHBondContact O-N 2.97Å; T20-F24 WeakPolarHBondContact O-CB 3.34Å; T20-F24 PolarHBondContact O-N 3.46Å
21V95Very high94.5Very high87 Ų8780.1 Ų80.153%0.52744%0.435SS..Hα-helixtrans-62.4-42.1176172.70000110.8L17 L18 F24 A25L17-V21 WeakPolarHBondContact O-CG2 3.15Å; L17-V21 PolarHBondContact O-N 3.39Å; L18-V21 PolarHBondContact O-N 2.88Å; V21-F24 PolarHBondContact O-N 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.17Å; V21-A25 PolarHBondContact O-N 3.48Å
22F94.9Very high94.3Very high111 Ų11180.5 Ų80.549%0.48743%0.431SS..Hα-helixtrans-63.5-49.1176.3-179.1-104.3000111.4L18 T20 F24 A25 V26 F31L18-F22 VanDerWaalsContact O-CB 3.23Å; L18-F22 WeakPolarHBondContact O-CB 2.93Å; L18-F22 PolarHBondContact O-N 3Å; T20-F22 VanDerWaalsContact C-N 3.33Å; T20-F22 PolarHBondContact O-N 3.46Å; F22-F24 VanDerWaalsContact C-N 3.28Å; F22-F24 PolarHBondContact O-N 3.41Å; F22-A25 PolarHBondContact O-N 3.48Å; F22-A25 VanDerWaalsContact O-N 3.12Å; F22-V26 HydrophobicContact CD1-CG2 4.27Å; F22-V26 HydrophobicContact CE1-CG2 3.91Å; F22-V26 HydrophobicContact CE2-CG2 4.25Å; F22-V26 HydrophobicContact CZ-CG2 3.91Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 2.99Å; F22-F31 HydrophobicContact CE2-CE2 4.18Å; F22-F31 HydrophobicContact CE2-CZ 4.2Å; F22-F31 AromaticContact CZ-CE2 3.74Å; F22-F31 HydrophobicContact CZ-CE2 3.74Å; F22-F31 HydrophobicContact CZ-CZ 4.02Å
23G93.6Very high94Very high37 Ų3782.9 Ų82.938%0.38144%0.435SS..Hα-helixtrans-56.8-41.9174.900000112.2L19 T20 V26 Y27L19-G23 PolarHBondContact O-N 3.29Å; T20-G23 PolarHBondContact O-N 2.97Å; G23-V26 PolarHBondContact O-N 3.15Å; G23-Y27 WeakPolarHBondContact O-CB 3.46Å; G23-Y27 PolarHBondContact O-N 3.41Å
24F93.2Very high93.9Very high99 Ų9979 Ų7943%0.43442%0.416SS..Hα-helixtrans-63.1-42.6174.8-178.2-97.7000112.6T20 V21 F22 Y27 S28 T140 L142T20-F24 WeakPolarHBondContact O-CB 3.34Å; T20-F24 PolarHBondContact O-N 3.46Å; V21-F24 PolarHBondContact O-N 3.28Å; F22-F24 VanDerWaalsContact C-N 3.28Å; F22-F24 PolarHBondContact O-N 3.41Å; F24-Y27 PolarHBondContact O-N 2.64Å; F24-S28 WeakPolarHBondContact O-CB 3.36Å; F24-S28 PolarHBondContact O-N 2.87Å; F24-S28 PolarHBondContact O-OG 2.98Å; F24-T140 HydrophobicContact CE2-CG2 3.7Å; F24-T140 HydrophobicContact CZ-CG2 3.79Å; F24-L142 HydrophobicContact CD1-CD2 3.97Å; F24-L142 HydrophobicContact CE1-CB 4.02Å; F24-L142 HydrophobicContact CE1-CD2 3.84Å
25A91.6Very high93.7Very high17 Ų1780 Ų8014%0.1442%0.421CS..Hα-helixtrans-64.8-42.4176.800000111.7V21 F22 S28 G29 L30 L142V21-A25 WeakPolarHBondContact O-CB 3.17Å; V21-A25 PolarHBondContact O-N 3.48Å; F22-A25 PolarHBondContact O-N 3.48Å; F22-A25 VanDerWaalsContact O-N 3.12Å; A25-S28 WeakPolarHBondContact O-CB 3.22Å; A25-S28 PolarHBondContact O-N 2.91Å; A25-G29 PolarHBondContact O-N 2.89Å; A25-L30 HydrophobicContact CB-CB 4.35Å; A25-L30 HydrophobicContact CB-CD2 4Å; A25-L30 WeakPolarHBondContact O-CB 3.41Å; A25-L30 PolarHBondContact O-N 3.27Å; A25-L142 HydrophobicContact CB-CD2 4.39Å
26V92.9Very high93.6Very high55 Ų5577.1 Ų77.133%0.33340%0.404SS..Hα-helixtrans-61.3-48174.61750000111F22 G23 S28 G29 F31F22-V26 HydrophobicContact CD1-CG2 4.27Å; F22-V26 HydrophobicContact CE1-CG2 3.91Å; F22-V26 HydrophobicContact CE2-CG2 4.25Å; F22-V26 HydrophobicContact CZ-CG2 3.91Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 2.99Å; G23-V26 PolarHBondContact O-N 3.15Å; V26-S28 PolarHBondContact O-N 3.09Å; V26-G29 PolarHBondContact O-N 3.23Å; V26-F31 HydrophobicContact CB-CD2 4.41Å; V26-F31 HydrophobicContact CG1-CD2 4.1Å; V26-F31 HydrophobicContact CG2-CD2 3.63Å; V26-F31 HydrophobicContact CG2-CE2 3.47Å; V26-F31 VanDerWaalsContact CG2-CE2 3.47Å
27Y91.6Very high93.4Very high155 Ų15574.6 Ų74.661%0.60840%0.395SS*.Hα-helixtrans-60-31.5175.6-180-104.4000112.9G23 F24 G29 T139 T140G23-Y27 WeakPolarHBondContact O-CB 3.46Å; G23-Y27 PolarHBondContact O-N 3.41Å; F24-Y27 PolarHBondContact O-N 2.64Å; Y27-G29 PolarHBondContact O-N 3.1Å; Y27-T139 HydrophobicContact CE1-CG2 4.42Å; Y27-T139 PolarHBondContact O-OG1 2.82Å; Y27-T140 HydrophobicContact CD1-CG2 3.89Å; Y27-T140 HydrophobicContact CE1-CG2 3.97Å
28S90.6Very high93.1Very high0 Ų071.7 Ų71.70%039%0.387CS..THydrogen-bonded Turntrans-76.7-5.4176.5-56.10000113.8F24 A25 V26 T140 S143F24-S28 WeakPolarHBondContact O-CB 3.36Å; F24-S28 PolarHBondContact O-N 2.87Å; F24-S28 PolarHBondContact O-OG 2.98Å; A25-S28 WeakPolarHBondContact O-CB 3.22Å; A25-S28 PolarHBondContact O-N 2.91Å; V26-S28 PolarHBondContact O-N 3.09Å; S28-T140 WeakPolarHBondContact CB-OG1 3.4Å; S28-T140 WeakPolarHBondContact OG-CG2 3.45Å; S28-T140 PolarHBondContact OG-OG1 3.08Å; S28-S143 WeakPolarHBondContact CA-OG 3.36Å; S28-S143 WeakPolarHBondContact O-CA 3.46Å; S28-S143 WeakPolarHBondContact O-CB 3.5Å; S28-S143 PolarHBondContact O-OG 3.33Å
29G90.5Very high92.7Very high1 Ų167.6 Ų67.61%0.0137%0.372CS..THydrogen-bonded Turntrans105.718.3176.500000115.4A25 V26 Y27 F31 T32 F136A25-G29 PolarHBondContact O-N 2.89Å; V26-G29 PolarHBondContact O-N 3.23Å; Y27-G29 PolarHBondContact O-N 3.1Å; G29-F31 PolarHBondContact O-N 3.39Å; G29-F31 VanDerWaalsContact O-N 3.15Å; G29-T32 VanDerWaalsContact CA-OG1 3.27Å; G29-T32 WeakPolarHBondContact CA-OG1 2.98Å; G29-T32 WeakPolarHBondContact O-CB 3.33Å; G29-T32 PolarHBondContact O-N 2.89Å; G29-T32 PolarHBondContact O-OG1 3.05Å; G29-F136 WeakPolarHBondContact O-CZ 3.4Å
30L89.3Confident92Very high52 Ų5266.9 Ų66.927%0.27238%0.376SS..THydrogen-bonded Turntrans-54.9-34.5-178.8-178.665.6000113.6A25 L146 R150A25-L30 HydrophobicContact CB-CB 4.35Å; A25-L30 HydrophobicContact CB-CD2 4Å; A25-L30 WeakPolarHBondContact O-CB 3.41Å; A25-L30 PolarHBondContact O-N 3.27Å; L30-L146 HydrophobicContact CB-CD1 4.48Å; L30-L146 HydrophobicContact CD1-CD2 4.19Å; L30-R150 PolarHBondContact O-NH1 3.38Å
31F91Very high91.2Very high143 Ų14364.4 Ų64.463%0.62736%0.361SS*.THydrogen-bonded Turntrans-102.79.5177.2-64.4-58.8000113.6F22 V26 G29 E33F22-F31 HydrophobicContact CE2-CE2 4.18Å; F22-F31 HydrophobicContact CE2-CZ 4.2Å; F22-F31 AromaticContact CZ-CE2 3.74Å; F22-F31 HydrophobicContact CZ-CE2 3.74Å; F22-F31 HydrophobicContact CZ-CZ 4.02Å; V26-F31 HydrophobicContact CB-CD2 4.41Å; V26-F31 HydrophobicContact CG1-CD2 4.1Å; V26-F31 HydrophobicContact CG2-CD2 3.63Å; V26-F31 HydrophobicContact CG2-CE2 3.47Å; V26-F31 VanDerWaalsContact CG2-CE2 3.47Å; G29-F31 PolarHBondContact O-N 3.39Å; G29-F31 VanDerWaalsContact O-N 3.15Å; F31-E33 PolarHBondContact O-N 3.48Å
32T90.9Very high90.1Very high44 Ų4462.7 Ų62.727%0.2735%0.352SS..  trans-69.7127177.1-56.70000110.1G29 F136 P137 R150G29-T32 VanDerWaalsContact CA-OG1 3.27Å; G29-T32 WeakPolarHBondContact CA-OG1 2.98Å; G29-T32 WeakPolarHBondContact O-CB 3.33Å; G29-T32 PolarHBondContact O-N 2.89Å; G29-T32 PolarHBondContact O-OG1 3.05Å; T32-F136 HydrophobicContact CG2-CD2 4.38Å; T32-F136 HydrophobicContact CG2-CE2 4.2Å; T32-P137 HydrophobicContact CG2-CG 3.85Å; T32-R150 PolarHBondContact O-NH2 3.31Å
33E92Very high89.3Confident153 Ų15358.1 Ų58.172%0.71533%0.333SS*.  trans-71134.5172.8-172.4176.1178.300109.9F31 V35F31-E33 PolarHBondContact O-N 3.48Å; E33-V35 HydrophobicContact CG-CG2 4.23Å
34V94.4Very high88.9Confident29 Ų2957.6 Ų57.618%0.17633%0.327CS..  trans-95.2105175.1178.70000107.9V36 A134 F136 R150 V151 A154V34-V36 HydrophobicContact CG1-CG2 4.23Å; V34-A134 HydrophobicContact CG1-CB 4.34Å; V34-F136 HydrophobicContact CG2-CD2 3.99Å; V34-F136 HydrophobicContact CG2-CE2 3.99Å; V34-R150 HydrophobicContact CG2-CB 4.03Å; V34-V151 HydrophobicContact CG1-CB 4.32Å; V34-V151 HydrophobicContact CG1-CG1 4.23Å; V34-V151 HydrophobicContact CG1-CG2 4.01Å; V34-V151 HydrophobicContact CG2-CG2 3.94Å; V34-A154 HydrophobicContact CB-CB 4.46Å; V34-A154 HydrophobicContact CG1-CB 3.79Å
35V93.4Very high88.8Confident90 Ų9054.6 Ų54.655%0.54532%0.319SS..  trans-94.9118.6174.2-176.80000108.7E33E33-V35 HydrophobicContact CG-CG2 4.23Å
36V95.1Very high88.9Confident25 Ų2554 Ų5415%0.15231%0.313CS..EExtended strand (participates in β ladder)trans-101.2129.2174-176.30000109V34 V132 M133 A134 A154 L155 Y158V34-V36 HydrophobicContact CG1-CG2 4.23Å; V36-V132 HydrophobicContact CG1-CG1 3.59Å; V36-M133 WeakPolarHBondContact CA-O 3.45Å; V36-A134 HydrophobicContact CG2-CB 4.21Å; V36-A154 HydrophobicContact CG2-CB 3.84Å; V36-L155 HydrophobicContact CG1-CD2 3.78Å; V36-L155 HydrophobicContact CG2-CD2 4.33Å; V36-Y158 HydrophobicContact CB-CD2 4.04Å; V36-Y158 HydrophobicContact CB-CG 4.18Å; V36-Y158 HydrophobicContact CG1-CD1 3.84Å; V36-Y158 HydrophobicContact CG1-CD2 3.8Å; V36-Y158 HydrophobicContact CG1-CE1 4.4Å; V36-Y158 HydrophobicContact CG1-CE2 4.35Å; V36-Y158 HydrophobicContact CG1-CG 3.51Å
37S93.2Very high89Confident52 Ų5252.4 Ų52.436%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-135.7154.9177.162.20000111.2V132 M133S37-V132 CarbonylContact O-C 3.26Å; S37-V132 WeakPolarHBondContact O-CA 3.32Å; S37-M133 PolarHBondContact N-O 2.75Å; S37-M133 PolarHBondContact O-N 3Å
38A92.5Very high89.1Confident48 Ų4845.1 Ų45.140%0.39728%0.275SS..EExtended strand (participates in β ladder)trans-107.7136.6167.500000108.7V131 V132 Y158A38-V131 CarbonylContact C-O 3.59Å; A38-V131 VanDerWaalsContact CA-O 3.27Å; A38-V131 WeakPolarHBondContact CA-O 3.48Å; A38-V132 HydrophobicContact CB-CG2 4.41Å; A38-Y158 HydrophobicContact CB-CE1 4.17Å; A38-Y158 PolarHBondContact N-OH 3.42Å
39G87Confident89.4Confident25 Ų2545.1 Ų45.126%0.25828%0.275SS..EExtended strand (participates in β ladder)trans176.4-163.4-179.100000113.8V131G39-V131 PolarHBondContact N-O 3.27Å; G39-V131 PolarHBondContact O-N 2.92Å
40S83.4Confident89.7Confident93 Ų9345.3 Ų45.365%0.6528%0.276SS*.SBendtrans-62.2143.2175.2-51.60000110.6M133S40-M133 WeakPolarHBondContact O-CE 3.3Å
41P78.1Confident90Very high37 Ų3745 Ų4524%0.2427%0.272CS..  trans-64.5147.7-175.833.6-42.8000112.1V43 P128 V131P41-V43 WeakPolarHBondContact CB-O 3.41Å; P41-V43 PolarHBondContact O-N 2.86Å; P41-P128 HydrophobicContact CB-CB 4.01Å; P41-P128 HydrophobicContact CB-CG 3.73Å; P41-P128 WeakPolarHBondContact CD-O 3.35Å; P41-P128 HydrophobicContact CG-CB 4.43Å; P41-P128 HydrophobicContact CG-CG 4.4Å; P41-P128 WeakPolarHBondContact CG-O 3.31Å; P41-V131 HydrophobicContact CB-CG1 4.11Å; P41-V131 HydrophobicContact CB-CG2 4.42Å
42P73.3Confident90.2Very high51 Ų5140.1 Ų40.133%0.33125%0.251SS..SBendtrans-77-11.1173.532.8-33.8000112.5M133 Y179 V181P42-M133 HydrophobicContact CB-SD 4.21Å; P42-M133 HydrophobicContact CG-CE 4.37Å; P42-M133 HydrophobicContact CG-SD 3.95Å; P42-Y179 HydrophobicContact CB-CD1 4.24Å; P42-Y179 HydrophobicContact CG-CD1 4.32Å; P42-V181 HydrophobicContact CG-CG2 3.94Å
43V78.3Confident90.3Very high14 Ų1444.9 Ų44.99%0.08526%0.264CS..SBendtrans-132.6143.8-173.9-65.90000110.9P41 E102 I172P41-V43 WeakPolarHBondContact CB-O 3.41Å; P41-V43 PolarHBondContact O-N 2.86Å; V43-E102 VanDerWaalsContact CA-OE1 3.32Å; V43-E102 WeakPolarHBondContact CA-OE1 2.95Å; V43-E102 WeakPolarHBondContact CB-OE1 3.17Å; V43-I172 HydrophobicContact CB-CD1 4.49Å; V43-I172 HydrophobicContact CG1-CD1 4Å; V43-I172 HydrophobicContact CG2-CD1 3.85Å
44G85.4Confident90.5Very high26 Ų2641.3 Ų41.327%0.26825%0.252SS..  trans-77-156.2175.500000113.1E102G44-E102 PolarHBondContact N-OE1 2.72Å
45S90.7Very high90.4Very high36 Ų3640.1 Ų40.125%0.25225%0.246SC..  trans-61.5138.916547.30000109.9E102 G103 F125S45-E102 CarbonylContact O-C 3.59Å; S45-E102 WeakPolarHBondContact O-CA 3.36Å; S45-G103 PolarHBondContact O-N 3.39Å; S45-G103 PolarHBondContact OG-O 2.96Å; S45-G103 VanDerWaalsContact OG-O 3.1Å; S45-F125 WeakPolarHBondContact CA-O 3.5Å
46I93.1Very high90.3Very high4 Ų437.9 Ų37.92%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-127.4134.9-179.256.9173.1000110.7L48 I77 I99 S101 E102 S124 F125I46-L48 HydrophobicContact CD1-CD2 4.41Å; I46-L48 HydrophobicContact CG1-CD2 4.47Å; I46-I77 HydrophobicContact CD1-CD1 3.46Å; I46-I77 VanDerWaalsContact CD1-CD1 3.46Å; I46-I99 HydrophobicContact CB-CG2 4.22Å; I46-I99 HydrophobicContact CD1-CD1 4.27Å; I46-I99 HydrophobicContact CD1-CG1 4.48Å; I46-I99 HydrophobicContact CG2-CG2 4.24Å; I46-S101 WeakPolarHBondContact CA-O 3.4Å; I46-E102 HydrophobicContact CG2-CB 4.3Å; I46-E102 HydrophobicContact CG2-CG 4.05Å; I46-S124 CarbonylContact O-C 3.59Å; I46-S124 VanDerWaalsContact O-CA 3.23Å; I46-S124 WeakPolarHBondContact O-CA 3.48Å; I46-F125 HydrophobicContact CD1-CD2 4.01Å; I46-F125 HydrophobicContact CG1-CB 3.88Å; I46-F125 HydrophobicContact CG1-CD2 4.15Å; I46-F125 HydrophobicContact CG1-CG 4.46Å; I46-F125 PolarHBondContact N-O 3.19Å; I46-F125 PolarHBondContact O-N 3.25Å
47T94.4Very high90Very high23 Ų2338.6 Ų38.614%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-102.2123.8169.1-59.20000108.6L100 S101 P107 I122 S124T47-L100 PolarHBondContact O-N 2.64Å; T47-S101 PolarHBondContact N-O 3.13Å; T47-S101 PolarHBondContact O-N 3.26Å; T47-P107 HydrophobicContact CG2-CG 4.02Å; T47-I122 HydrophobicContact CG2-CG2 3.78Å; T47-S124 WeakPolarHBondContact CG2-OG 3.33Å; T47-S124 PolarHBondContact OG1-OG 3.31Å
48L94.7Very high89.7Confident1 Ų139.8 Ų39.81%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-127.1144.7-171.367.4106.2000111.9I46 Y50 I77 R98 I122 F123 F125I46-L48 HydrophobicContact CD1-CD2 4.41Å; I46-L48 HydrophobicContact CG1-CD2 4.47Å; L48-Y50 HydrophobicContact CD1-CD1 3.4Å; L48-Y50 HydrophobicContact CD1-CE1 4.42Å; L48-Y50 HydrophobicContact CD1-CG 3.71Å; L48-Y50 HydrophobicContact CG-CD1 4.46Å; L48-I77 HydrophobicContact CB-CG2 4.3Å; L48-R98 CarbonylContact C-O 3.56Å; L48-R98 VanDerWaalsContact CA-O 3.27Å; L48-R98 WeakPolarHBondContact CA-O 3.41Å; L48-I122 WeakPolarHBondContact O-CA 3.39Å; L48-F123 PolarHBondContact N-O 2.66Å; L48-F123 PolarHBondContact O-N 3.27Å; L48-F125 HydrophobicContact CD2-CD1 4.22Å; L48-F125 HydrophobicContact CD2-CD2 3.3Å; L48-F125 HydrophobicContact CD2-CE1 4.19Å; L48-F125 HydrophobicContact CD2-CE2 3.25Å; L48-F125 HydrophobicContact CD2-CG 3.8Å; L48-F125 HydrophobicContact CD2-CZ 3.73Å
49A96.1Very high89.4Confident0 Ų042.7 Ų42.70%026%0.259CS..EExtended strand (participates in β ladder)trans-98.9119.4167.400000108.6G97 R98 L100 F115 F120 K121 I122A49-G97 CarbonylContact O-C 3.57Å; A49-G97 WeakPolarHBondContact O-CA 3.18Å; A49-R98 PolarHBondContact N-O 2.96Å; A49-R98 PolarHBondContact O-N 2.82Å; A49-L100 HydrophobicContact CB-CD1 4.13Å; A49-L100 HydrophobicContact CB-CD2 3.96Å; A49-L100 HydrophobicContact CB-CG 4.08Å; A49-F115 HydrophobicContact CB-CB 3.76Å; A49-F115 HydrophobicContact CB-CD1 3.58Å; A49-F115 HydrophobicContact CB-CD2 4.23Å; A49-F115 HydrophobicContact CB-CE1 4.25Å; A49-F115 HydrophobicContact CB-CG 3.58Å; A49-F120 HydrophobicContact CB-CB 4.19Å; A49-K121 CarbonylContact C-O 3.48Å; A49-K121 VanDerWaalsContact CA-O 3.29Å; A49-K121 WeakPolarHBondContact CA-O 3.27Å; A49-I122 HydrophobicContact CB-CD1 3.56Å
50Y96.4Very high89.4Confident5 Ų542.3 Ų42.32%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-133.5162-174.767.1-71.6000113.6L48 F52 A95 I96 F120 K121 F123 V192 P193 E194L48-Y50 HydrophobicContact CD1-CD1 3.4Å; L48-Y50 HydrophobicContact CD1-CE1 4.42Å; L48-Y50 HydrophobicContact CD1-CG 3.71Å; L48-Y50 HydrophobicContact CG-CD1 4.46Å; Y50-F52 HydrophobicContact CD2-CB 4.38Å; Y50-F52 HydrophobicContact CE2-CB 4.24Å; Y50-A95 HydrophobicContact CD2-CB 3.91Å; Y50-A95 HydrophobicContact CG-CB 4.47Å; Y50-I96 CarbonylContact C-O 3.58Å; Y50-I96 VanDerWaalsContact CA-O 3.29Å; Y50-I96 WeakPolarHBondContact CA-O 3.48Å; Y50-F120 WeakPolarHBondContact O-CA 3.45Å; Y50-K121 HydrophobicContact CD1-CB 4.43Å; Y50-K121 WeakPolarHBondContact CD1-O 3.3Å; Y50-K121 HydrophobicContact CE1-CB 3.79Å; Y50-K121 WeakPolarHBondContact CE1-O 3.42Å; Y50-K121 HydrophobicContact CE2-CB 4.41Å; Y50-K121 PolarHBondContact N-O 3.15Å; Y50-K121 PolarHBondContact O-N 3.29Å; Y50-F123 HydrophobicContact CD1-CB 4.19Å; Y50-F123 HydrophobicContact CE1-CB 3.44Å; Y50-F123 VanDerWaalsContact CE1-CB 3.44Å; Y50-V192 HydrophobicContact CD1-CG1 4.39Å; Y50-V192 HydrophobicContact CD2-CB 4.32Å; Y50-V192 HydrophobicContact CD2-CG1 3.81Å; Y50-V192 HydrophobicContact CE1-CG1 4.15Å; Y50-V192 HydrophobicContact CE2-CB 3.57Å; Y50-V192 HydrophobicContact CE2-CG1 3.51Å; Y50-V192 HydrophobicContact CE2-CG2 3.94Å; Y50-V192 HydrophobicContact CG-CG1 4.25Å; Y50-P193 WeakPolarHBondContact OH-CD 3.34Å; Y50-E194 PolarHBondContact OH-OE2 2.9Å; Y50-E194 VanDerWaalsContact OH-OE2 3.05Å
51K95.8Very high89.6Confident46 Ų4639.7 Ų39.720%0.224%0.24CC..EExtended strand (participates in β ladder)trans-119125.4161-75.5-180174.6174.50108.8L63 A95 I96 Y118 G119 F120K51-L63 HydrophobicContact CB-CD2 4.48Å; K51-L63 HydrophobicContact CD-CD2 4.32Å; K51-A95 WeakPolarHBondContact O-CA 3.34Å; K51-I96 PolarHBondContact N-O 2.94Å; K51-I96 PolarHBondContact O-N 3.11Å; K51-I96 VanDerWaalsContact O-N 3.1Å; K51-Y118 WeakPolarHBondContact CE-O 3.47Å; K51-Y118 PolarHBondContact NZ-O 3.43Å; K51-G119 WeakPolarHBondContact CE-O 3.25Å; K51-F120 HydrophobicContact CD-CD1 4.45Å; K51-F120 HydrophobicContact CD-CD2 4.25Å; K51-F120 HydrophobicContact CD-CE1 4.17Å; K51-F120 HydrophobicContact CD-CE2 3.94Å; K51-F120 HydrophobicContact CD-CG 4.47Å; K51-F120 HydrophobicContact CD-CZ 3.9Å; K51-F120 VanDerWaalsContact CE-CE2 3.42Å; K51-F120 HydrophobicContact CG-CD1 3.88Å; K51-F120 HydrophobicContact CG-CD2 4.3Å; K51-F120 HydrophobicContact CG-CE1 3.96Å; K51-F120 HydrophobicContact CG-CE2 4.36Å; K51-F120 HydrophobicContact CG-CG 4.03Å; K51-F120 HydrophobicContact CG-CZ 4.19Å
52F95.8Very high90.1Very high40 Ų4044.7 Ų44.718%0.17526%0.26CS..EExtended strand (participates in β ladder)trans-84.5135.9172.3179.9-99.7000110.2Y50 V54 Y81 R93 A95 V192 E194 M195Y50-F52 HydrophobicContact CD2-CB 4.38Å; Y50-F52 HydrophobicContact CE2-CB 4.24Å; F52-V54 HydrophobicContact CE1-CG2 3.72Å; F52-V54 HydrophobicContact CZ-CG2 4.03Å; F52-Y81 HydrophobicContact CD2-CE2 4.31Å; F52-Y81 HydrophobicContact CE2-CD2 4.25Å; F52-Y81 HydrophobicContact CE2-CE2 4.07Å; F52-R93 HydrophobicContact CE2-CB 4.11Å; F52-R93 HydrophobicContact CZ-CB 4.01Å; F52-R93 HydrophobicContact CZ-CG 4.26Å; F52-A95 HydrophobicContact CD2-CB 4.45Å; F52-V192 HydrophobicContact CB-CG2 4.48Å; F52-V192 HydrophobicContact CD2-CG2 3.65Å; F52-V192 HydrophobicContact CE2-CG2 4.25Å; F52-V192 HydrophobicContact CG-CG2 4.33Å; F52-E194 HydrophobicContact CB-CB 4.34Å; F52-E194 HydrophobicContact CB-CG 4.36Å; F52-E194 HydrophobicContact CD1-CB 3.68Å; F52-E194 HydrophobicContact CD1-CG 4.28Å; F52-E194 HydrophobicContact CD2-CB 4.48Å; F52-E194 HydrophobicContact CE1-CB 4.05Å; F52-E194 HydrophobicContact CG-CB 3.91Å; F52-E194 HydrophobicContact CG-CG 4.43Å; F52-M195 HydrophobicContact CE2-CB 4.05Å; F52-M195 HydrophobicContact CZ-CB 4.49Å
53R94.3Very high90.9Very high145 Ų14542.9 Ų42.955%0.54725%0.248SC..EExtended strand (participates in β ladder)trans-139.5155.5175.3-72.8-62.2-168.9167.72.5110.8L63 F94R53-L63 HydrophobicContact CB-CD1 4.34Å; R53-L63 HydrophobicContact CG-CD1 3.73Å; R53-F94 HydrophobicContact CB-CD1 4.48Å; R53-F94 HydrophobicContact CB-CE1 3.9Å; R53-F94 HydrophobicContact CB-CE2 4.19Å; R53-F94 HydrophobicContact CB-CZ 3.73Å; R53-F94 PolarHBondContact N-O 2.61Å; R53-F94 PolarHBondContact O-N 2.82Å; R53-F94 VanDerWaalsContact O-O 3.08Å
54V94.5Very high91.5Very high77 Ų7743.7 Ų43.747%0.46725%0.25SS..EExtended strand (participates in β ladder)trans-121.1126.5169.8-171.80000106.7F52 C92 R93F52-V54 HydrophobicContact CE1-CG2 3.72Å; F52-V54 HydrophobicContact CZ-CG2 4.03Å; V54-C92 CarbonylContact C-O 3.54Å; V54-C92 WeakPolarHBondContact CA-O 3.43Å; V54-R93 HydrophobicContact CG1-CG 4.12Å; V54-R93 HydrophobicContact CG2-CG 4.03Å
55G92.4Very high91.8Very high5 Ų547 Ų475%0.05227%0.266CS..SBendtrans149.3-175-175.900000112.8Y57 P89 C92 F94G55-Y57 PolarHBondContact O-N 3.46Å; G55-P89 CarbonylContact C-O 2.87Å; G55-P89 WeakPolarHBondContact CA-O 3.38Å; G55-P89 VanDerWaalsContact O-O 3.06Å; G55-C92 PolarHBondContact N-O 3.28Å; G55-C92 VanDerWaalsContact O-O 3.1Å; G55-F94 WeakPolarHBondContact O-CE1 3.46Å
56P91.9Very high91.7Very high42 Ų4249 Ų4927%0.27327%0.273SS..  trans-62.8134.3-174.6-2233.1000112.1G58 E59 P89P56-G58 PolarHBondContact O-N 2.93Å; P56-E59 WeakPolarHBondContact O-CB 3.39Å; P56-E59 PolarHBondContact O-N 3.38Å; P56-P89 WeakPolarHBondContact CA-O 3.19Å; P56-P89 HydrophobicContact CB-CB 4.08Å; P56-P89 HydrophobicContact CG-CB 4.09Å
57Y89.6Confident91.6Very high40 Ų4048.8 Ų48.816%0.15727%0.272CS..G310 helixtrans-62.5-17.7178.4-66.2-18000113.8G55 E59 S60 Y80 D82 P84 C92 R93 F94G55-Y57 PolarHBondContact O-N 3.46Å; Y57-E59 PolarHBondContact O-N 3.22Å; Y57-S60 WeakPolarHBondContact O-CB 3.38Å; Y57-S60 PolarHBondContact O-N 3.19Å; Y57-S60 PolarHBondContact O-OG 2.95Å; Y57-Y80 AromaticContact CD1-CD1 3.9Å; Y57-Y80 HydrophobicContact CD1-CD1 3.9Å; Y57-Y80 HydrophobicContact CD1-CE1 4.24Å; Y57-Y80 AromaticContact CD2-CD1 3.84Å; Y57-Y80 HydrophobicContact CD2-CD1 3.84Å; Y57-Y80 HydrophobicContact CD2-CE1 4.31Å; Y57-Y80 AromaticContact CE1-CD1 3.79Å; Y57-Y80 HydrophobicContact CE1-CD1 3.79Å; Y57-Y80 AromaticContact CE2-CD1 3.73Å; Y57-Y80 HydrophobicContact CE2-CD1 3.73Å; Y57-Y80 HydrophobicContact CE2-CG 4.34Å; Y57-Y80 AromaticContact CG-CD1 3.91Å; Y57-Y80 HydrophobicContact CG-CD1 3.91Å; Y57-Y80 HydrophobicContact CG-CE1 4.1Å; Y57-Y80 AromaticContact CZ-CD1 3.7Å; Y57-D82 PolarHBondContact OH-N 3.03Å; Y57-D82 PolarHBondContact OH-O 3.26Å; Y57-D82 VanDerWaalsContact OH-O 3.1Å; Y57-P84 HydrophobicContact CD2-CB 4.09Å; Y57-P84 HydrophobicContact CD2-CG 4.2Å; Y57-P84 HydrophobicContact CE2-CB 4.19Å; Y57-P84 HydrophobicContact CE2-CG 4.22Å; Y57-C92 HydrophobicContact CD1-CB 3.96Å; Y57-C92 HydrophobicContact CE1-CB 3.47Å; Y57-C92 VanDerWaalsContact CE1-CB 3.47Å; Y57-C92 HydrophobicContact CE2-CB 4.4Å; Y57-R93 PolarHBondContact OH-O 3.05Å; Y57-F94 HydrophobicContact CD1-CB 4.08Å; Y57-F94 AromaticContact CD1-CD1 3.52Å; Y57-F94 HydrophobicContact CD1-CD1 3.52Å; Y57-F94 HydrophobicContact CD1-CE1 4.1Å; Y57-F94 AromaticContact CD1-CG 3.85Å; Y57-F94 HydrophobicContact CD1-CG 3.85Å; Y57-F94 HydrophobicContact CE1-CB 3.62Å; Y57-F94 AromaticContact CE1-CD1 3.54Å; Y57-F94 HydrophobicContact CE1-CD1 3.54Å; Y57-F94 HydrophobicContact CE1-CE1 4.49Å; Y57-F94 AromaticContact CE1-CG 3.82Å; Y57-F94 HydrophobicContact CE1-CG 3.82Å
58G85.4Confident91.3Very high77 Ų7750.2 Ų50.279%0.79428%0.283SS*.G310 helixtrans-60.5-23.6170.300000113.9P56 S60P56-G58 PolarHBondContact O-N 2.93Å; G58-S60 VanDerWaalsContact C-N 3.3Å
59E86.6Confident91.1Very high110 Ų11054.8 Ų54.851%0.51432%0.315SS..G310 helixtrans-81-10.2176.5-61-175.817800113.1P56 Y57 G61 Q62P56-E59 WeakPolarHBondContact O-CB 3.39Å; P56-E59 PolarHBondContact O-N 3.38Å; Y57-E59 PolarHBondContact O-N 3.22Å; E59-G61 PolarHBondContact O-N 2.87Å; E59-Q62 PolarHBondContact O-N 3.19Å
60S87.9Confident90.8Very high17 Ų1755.5 Ų55.512%0.11932%0.318CS..Hα-helixtrans-58.2-31.417864.80000112.9Y57 G58 Q62 L63 F64Y57-S60 WeakPolarHBondContact O-CB 3.38Å; Y57-S60 PolarHBondContact O-N 3.19Å; Y57-S60 PolarHBondContact O-OG 2.95Å; G58-S60 VanDerWaalsContact C-N 3.3Å; S60-Q62 VanDerWaalsContact C-N 3.28Å; S60-Q62 PolarHBondContact O-N 3.21Å; S60-L63 PolarHBondContact O-N 2.97Å; S60-L63 VanDerWaalsContact O-N 3.08Å; S60-F64 VanDerWaalsContact O-CD2 3.25Å; S60-F64 WeakPolarHBondContact O-CD2 3.4Å; S60-F64 PolarHBondContact O-N 2.95Å
61G87.8Confident90.3Very high37 Ų3756.2 Ų56.238%0.38132%0.324SS..Hα-helixtrans-56.4-39.3179.100000113.1E59 F64 T65E59-G61 PolarHBondContact O-N 2.87Å; G61-F64 PolarHBondContact O-N 3.12Å; G61-T65 PolarHBondContact O-N 3.45Å; G61-T65 PolarHBondContact O-OG1 3.02Å
62Q88.8Confident89.8Confident142 Ų14258.5 Ų58.566%0.66435%0.346SS*.Hα-helixtrans-65.7-41.3177.6-65.4-179.519.500111.4E59 S60 F64 T65 D66E59-Q62 PolarHBondContact O-N 3.19Å; S60-Q62 VanDerWaalsContact C-N 3.28Å; S60-Q62 PolarHBondContact O-N 3.21Å; Q62-F64 VanDerWaalsContact C-N 3.32Å; Q62-F64 PolarHBondContact O-N 2.92Å; Q62-T65 PolarHBondContact O-N 3.14Å; Q62-D66 WeakPolarHBondContact O-CB 3.15Å; Q62-D66 PolarHBondContact O-N 2.61Å
63L89.9Confident89.4Confident13 Ų1365.8 Ų65.87%0.06838%0.377CS..Hα-helixtrans-66.1-35.5176.3-61.9179.7000112.3K51 R53 S60 S67 F94 I96K51-L63 HydrophobicContact CB-CD2 4.48Å; K51-L63 HydrophobicContact CD-CD2 4.32Å; R53-L63 HydrophobicContact CB-CD1 4.34Å; R53-L63 HydrophobicContact CG-CD1 3.73Å; S60-L63 PolarHBondContact O-N 2.97Å; S60-L63 VanDerWaalsContact O-N 3.08Å; L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.36Å; L63-S67 PolarHBondContact O-OG 3.1Å; L63-F94 HydrophobicContact CD1-CE2 3.71Å; L63-F94 HydrophobicContact CD1-CZ 4.38Å; L63-I96 HydrophobicContact CB-CB 3.74Å; L63-I96 HydrophobicContact CB-CG1 4.1Å; L63-I96 HydrophobicContact CB-CG2 3.84Å; L63-I96 HydrophobicContact CD1-CB 3.97Å; L63-I96 HydrophobicContact CD1-CG1 3.9Å
64F90.6Very high89.2Confident32 Ų3260.1 Ų60.114%0.1436%0.358CS..Hα-helixtrans-62.8-45.7172.6-81.3-67.2000111S60 G61 Q62 S67 C68 I96 Y173S60-F64 VanDerWaalsContact O-CD2 3.25Å; S60-F64 WeakPolarHBondContact O-CD2 3.4Å; S60-F64 PolarHBondContact O-N 2.95Å; G61-F64 PolarHBondContact O-N 3.12Å; Q62-F64 VanDerWaalsContact C-N 3.32Å; Q62-F64 PolarHBondContact O-N 2.92Å; F64-S67 PolarHBondContact O-N 2.81Å; F64-S67 PolarHBondContact O-OG 2.89Å; F64-C68 WeakPolarHBondContact O-CB 3.45Å; F64-C68 PolarHBondContact O-N 3.25Å; F64-I96 HydrophobicContact CB-CG2 4.47Å; F64-I96 HydrophobicContact CD1-CG2 3.57Å; F64-I96 HydrophobicContact CD2-CD1 4.49Å; F64-I96 HydrophobicContact CD2-CG2 3.86Å; F64-I96 HydrophobicContact CE1-CG2 3.62Å; F64-I96 HydrophobicContact CE2-CD1 3.69Å; F64-I96 HydrophobicContact CE2-CG1 4.25Å; F64-I96 HydrophobicContact CE2-CG2 3.91Å; F64-I96 HydrophobicContact CG-CG2 3.69Å; F64-I96 HydrophobicContact CZ-CD1 3.78Å; F64-I96 HydrophobicContact CZ-CG2 3.8Å; F64-Y173 HydrophobicContact CE1-CD2 4.06Å; F64-Y173 AromaticContact CE1-CE2 3.91Å; F64-Y173 HydrophobicContact CE1-CE2 3.91Å; F64-Y173 HydrophobicContact CZ-CD2 4.26Å; F64-Y173 AromaticContact CZ-CE2 3.64Å; F64-Y173 HydrophobicContact CZ-CE2 3.64Å
65T90.6Very high89.1Confident96 Ų9658.3 Ų58.359%0.58935%0.348SS*.Hα-helixtrans-61.2-47.5175.4-59.20000111.9G61 Q62 S67 C68 S69G61-T65 PolarHBondContact O-N 3.45Å; G61-T65 PolarHBondContact O-OG1 3.02Å; Q62-T65 PolarHBondContact O-N 3.14Å; T65-S67 VanDerWaalsContact C-N 3.35Å; T65-S67 PolarHBondContact O-N 2.83Å; T65-C68 WeakPolarHBondContact O-CB 3.23Å; T65-C68 PolarHBondContact O-N 2.96Å; T65-C68 VanDerWaalsContact O-N 3.13Å; T65-S69 PolarHBondContact O-N 2.84Å
66D89.9Confident89.2Confident76 Ų7658.8 Ų58.841%0.40635%0.351SS..Hα-helixtrans-57.2-48.2177.6-76.1-3.5000111Q62 C68 S69Q62-D66 WeakPolarHBondContact O-CB 3.15Å; Q62-D66 PolarHBondContact O-N 2.61Å; D66-C68 VanDerWaalsContact C-N 3.31Å; D66-C68 PolarHBondContact O-N 3.23Å; D66-S69 PolarHBondContact O-N 3.37Å; D66-S69 PolarHBondContact O-OG 3.22Å
67S89.2Confident89.4Confident0 Ų056.8 Ų56.80%034%0.338CS..Hα-helixtrans-64.7-35178.4760000112.6L63 F64 T65 I70 S71 R98L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.36Å; L63-S67 PolarHBondContact O-OG 3.1Å; F64-S67 PolarHBondContact O-N 2.81Å; F64-S67 PolarHBondContact O-OG 2.89Å; T65-S67 VanDerWaalsContact C-N 3.35Å; T65-S67 PolarHBondContact O-N 2.83Å; S67-I70 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-N 2.8Å; S67-R98 PolarHBondContact OG-NE 2.82Å
68C88.7Confident89.7Confident54 Ų5454.9 Ų54.937%0.36533%0.33SS..Hα-helixtrans-67.5-36.9178-145.20000112F64 T65 D66 I70 S71 S72 R98F64-C68 WeakPolarHBondContact O-CB 3.45Å; F64-C68 PolarHBondContact O-N 3.25Å; T65-C68 WeakPolarHBondContact O-CB 3.23Å; T65-C68 PolarHBondContact O-N 2.96Å; T65-C68 VanDerWaalsContact O-N 3.13Å; D66-C68 VanDerWaalsContact C-N 3.31Å; D66-C68 PolarHBondContact O-N 3.23Å; C68-I70 PolarHBondContact O-N 3.1Å; C68-S71 CarbonylContact O-C 3.54Å; C68-S71 VanDerWaalsContact O-C 3.26Å; C68-S71 PolarHBondContact O-N 3.19Å; C68-S72 PolarHBondContact O-N 2.87Å; C68-R98 PolarHBondContact SG-NH2 2.84Å
69S90.1Very high90.2Very high97 Ų9751.3 Ų51.368%0.67829%0.293SS*.Hα-helixtrans-63.6-27178.577.50000112.8T65 D66T65-S69 PolarHBondContact O-N 2.84Å; D66-S69 PolarHBondContact O-N 3.37Å; D66-S69 PolarHBondContact O-OG 3.22Å
70I90Very high90.6Very high15 Ų1547.1 Ų47.18%0.07727%0.273CS..Hα-helixtrans-78.5-47.1177-59.3169.9000110.4S67 C68 Q114 F115 Y118 F120S67-I70 PolarHBondContact O-N 2.91Å; C68-I70 PolarHBondContact O-N 3.1Å; I70-Q114 HydrophobicContact CG2-CG 3.81Å; I70-Q114 PolarHBondContact O-NE2 2.87Å; I70-Q114 VanDerWaalsContact O-NE2 3.08Å; I70-F115 HydrophobicContact CB-CE1 4.09Å; I70-F115 HydrophobicContact CB-CZ 4.08Å; I70-F115 HydrophobicContact CD1-CD1 3.94Å; I70-F115 HydrophobicContact CD1-CE1 3.98Å; I70-F115 HydrophobicContact CG2-CD1 4.21Å; I70-F115 HydrophobicContact CG2-CD2 4.09Å; I70-F115 HydrophobicContact CG2-CE1 4.02Å; I70-F115 HydrophobicContact CG2-CE2 3.88Å; I70-F115 HydrophobicContact CG2-CG 4.24Å; I70-F115 HydrophobicContact CG2-CZ 3.84Å; I70-Y118 HydrophobicContact CD1-CD2 3.78Å; I70-Y118 HydrophobicContact CD1-CG 3.81Å; I70-Y118 HydrophobicContact CG1-CD2 3.75Å; I70-Y118 HydrophobicContact CG1-CE2 4.25Å; I70-Y118 HydrophobicContact CG1-CG 4.05Å; I70-Y118 HydrophobicContact CG2-CD2 4.24Å; I70-F120 HydrophobicContact CD1-CD2 3.74Å; I70-F120 HydrophobicContact CD1-CE2 3.32Å; I70-F120 HydrophobicContact CD1-CZ 4.09Å
71S86.9Confident90.9Very high20 Ų2047.1 Ų47.114%0.1427%0.27CS..  trans-152.7114.1177.1-1760000111.2S67 C68 K73 R98S67-S71 PolarHBondContact O-N 2.8Å; C68-S71 CarbonylContact O-C 3.54Å; C68-S71 VanDerWaalsContact O-C 3.26Å; C68-S71 PolarHBondContact O-N 3.19Å; S71-K73 VanDerWaalsContact C-N 3.35Å; S71-R98 PolarHBondContact O-NH1 3.06Å
72S85.3Confident91.1Very high94 Ų9446.5 Ų46.566%0.65726%0.258SS*.SBendtrans-79-18.4176.556.90000113.5C68C68-S72 PolarHBondContact O-N 2.87Å
73K87Confident91.1Very high193 Ų19341.8 Ų41.884%0.83924%0.238SC*.SBendtrans-81.1-20.9-174.8-64.1-176.6-179.5179.10113.9S71S71-K73 VanDerWaalsContact C-N 3.35Å
74L90.8Very high90.9Very high25 Ų2544.2 Ų44.213%0.13125%0.254CS..SBendtrans-87.3146.4-176.3-64.9177.2000111R98 L100 F115L74-R98 HydrophobicContact CB-CB 4.19Å; L74-R98 HydrophobicContact CD1-CB 4.47Å; L74-R98 WeakPolarHBondContact O-CD 3.37Å; L74-R98 PolarHBondContact O-NH1 3.03Å; L74-L100 HydrophobicContact CD1-CD2 3.66Å; L74-F115 HydrophobicContact CD1-CE2 3.75Å; L74-F115 HydrophobicContact CD1-CZ 4.2Å
75C92.2Very high90.6Very high39 Ų3950.2 Ų50.226%0.26428%0.282SS..PPolyproline II helixtrans-66.3138.2176.5-64.50000110.6R98 I99 Y173C75-R98 CarbonylContact O-C 3.5Å; C75-R98 VanDerWaalsContact O-CA 3.3Å; C75-R98 WeakPolarHBondContact O-CA 3.2Å; C75-I99 HydrophobicContact CB-CB 4.41Å; C75-I99 HydrophobicContact CB-CD1 4.3Å; C75-I99 PolarHBondContact O-N 2.93Å; C75-Y173 WeakPolarHBondContact CB-O 3.48Å
76S94.4Very high90.4Very high15 Ų1550.6 Ų50.611%0.10528%0.284CS..EExtended strand (participates in β ladder)trans-83.5147.7175.1-46.60000110.4R98 Y173S76-R98 PolarHBondContact OG-NE 2.99Å; S76-R98 PolarHBondContact OG-NH1 3.01Å; S76-R98 PolarHBondContact OG-NH2 2.84Å; S76-Y173 PolarHBondContact N-O 2.85Å; S76-Y173 PolarHBondContact O-N 3.22Å
77I95.4Very high90.5Very high1 Ų148.6 Ų48.61%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-136.9135.3175.2-175.5169.1000110.7I46 L48 V79 G97 I99 L170 E171 I172I46-I77 HydrophobicContact CD1-CD1 3.46Å; I46-I77 VanDerWaalsContact CD1-CD1 3.46Å; L48-I77 HydrophobicContact CB-CG2 4.3Å; I77-V79 HydrophobicContact CG1-CG2 4.42Å; I77-G97 PolarHBondContact N-O 2.99Å; I77-G97 PolarHBondContact O-N 3.47Å; I77-I99 HydrophobicContact CB-CD1 4.32Å; I77-I99 HydrophobicContact CB-CG1 4.02Å; I77-I99 HydrophobicContact CD1-CD1 4.37Å; I77-I99 HydrophobicContact CD1-CG1 4.4Å; I77-I99 HydrophobicContact CG2-CG1 3.91Å; I77-L170 HydrophobicContact CD1-CD2 4.41Å; I77-E171 CarbonylContact C-O 3.56Å; I77-E171 VanDerWaalsContact CA-O 3.29Å; I77-E171 WeakPolarHBondContact CA-O 3.48Å; I77-I172 HydrophobicContact CD1-CD1 4.44Å; I77-I172 HydrophobicContact CD1-CG1 3.97Å; I77-I172 HydrophobicContact CG1-CG1 4.07Å
78G95.6Very high90.7Very high0 Ų051.5 Ų51.50%029%0.294CS..EExtended strand (participates in β ladder)trans-115.8138.6167.500000110.6A95 L170 E171G78-A95 CarbonylContact C-O 3.47Å; G78-L170 CarbonylContact O-C 3.58Å; G78-L170 WeakPolarHBondContact O-CA 3.21Å; G78-E171 PolarHBondContact N-O 3.14Å; G78-E171 PolarHBondContact O-N 3.19Å
79V96.2Very high90.8Very high2 Ų251.9 Ų51.91%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-123.4121174.1-168.80000107.9I77 Y81 F94 A95 F125 P168 R169 L170I77-V79 HydrophobicContact CG1-CG2 4.42Å; V79-Y81 HydrophobicContact CB-CE2 4.44Å; V79-Y81 HydrophobicContact CG1-CD1 4.44Å; V79-Y81 HydrophobicContact CG1-CE1 3.73Å; V79-Y81 HydrophobicContact CG1-CE2 4.16Å; V79-F94 CarbonylContact O-C 3.57Å; V79-F94 WeakPolarHBondContact O-CA 3.42Å; V79-F94 WeakPolarHBondContact O-CB 3.28Å; V79-A95 HydrophobicContact CB-CB 4.32Å; V79-A95 PolarHBondContact N-O 2.94Å; V79-A95 PolarHBondContact O-N 2.91Å; V79-F125 HydrophobicContact CG2-CE2 3.71Å; V79-F125 HydrophobicContact CG2-CZ 4Å; V79-P168 HydrophobicContact CG1-CB 4.09Å; V79-P168 HydrophobicContact CG1-CG 3.94Å; V79-R169 WeakPolarHBondContact CA-O 3.42Å; V79-L170 HydrophobicContact CG1-CG 4.42Å; V79-L170 HydrophobicContact CG2-CG 4.42Å
80Y95.3Very high90.9Very high21 Ų2153.5 Ų53.58%0.08229%0.292CS..EExtended strand (participates in β ladder)trans-116.7120.2-177.5-53.9-92.1000108.8Y57 F94 I96 R169 E171Y57-Y80 AromaticContact CD1-CD1 3.9Å; Y57-Y80 HydrophobicContact CD1-CD1 3.9Å; Y57-Y80 HydrophobicContact CD1-CE1 4.24Å; Y57-Y80 AromaticContact CD2-CD1 3.84Å; Y57-Y80 HydrophobicContact CD2-CD1 3.84Å; Y57-Y80 HydrophobicContact CD2-CE1 4.31Å; Y57-Y80 AromaticContact CE1-CD1 3.79Å; Y57-Y80 HydrophobicContact CE1-CD1 3.79Å; Y57-Y80 AromaticContact CE2-CD1 3.73Å; Y57-Y80 HydrophobicContact CE2-CD1 3.73Å; Y57-Y80 HydrophobicContact CE2-CG 4.34Å; Y57-Y80 AromaticContact CG-CD1 3.91Å; Y57-Y80 HydrophobicContact CG-CD1 3.91Å; Y57-Y80 HydrophobicContact CG-CE1 4.1Å; Y57-Y80 AromaticContact CZ-CD1 3.7Å; Y80-F94 HydrophobicContact CD1-CB 3.83Å; Y80-F94 HydrophobicContact CE1-CB 4.3Å; Y80-I96 HydrophobicContact CE1-CD1 4.45Å; Y80-R169 PolarHBondContact N-O 3.43Å; Y80-R169 PolarHBondContact O-N 2.83Å; Y80-E171 HydrophobicContact CD2-CG 4.25Å; Y80-E171 HydrophobicContact CE2-CB 4.19Å; Y80-E171 HydrophobicContact CE2-CG 3.73Å; Y80-E171 VanDerWaalsContact CE2-OE2 3.24Å; Y80-E171 WeakPolarHBondContact CE2-OE2 3.45Å; Y80-E171 PolarHBondContact OH-OE2 3.42Å
81Y94.1Very high91.1Very high18 Ų1859.4 Ų59.47%0.07132%0.318CS..  trans-93.8-18.4-172.7-61.1-74.7000113.1F52 V79 R93 A95 P168 Y191 V192 M195F52-Y81 HydrophobicContact CD2-CE2 4.31Å; F52-Y81 HydrophobicContact CE2-CD2 4.25Å; F52-Y81 HydrophobicContact CE2-CE2 4.07Å; V79-Y81 HydrophobicContact CB-CE2 4.44Å; V79-Y81 HydrophobicContact CG1-CD1 4.44Å; V79-Y81 HydrophobicContact CG1-CE1 3.73Å; V79-Y81 HydrophobicContact CG1-CE2 4.16Å; Y81-R93 HydrophobicContact CD2-CB 4.19Å; Y81-R93 PolarHBondContact N-O 2.95Å; Y81-R93 VanDerWaalsContact N-O 3.14Å; Y81-A95 HydrophobicContact CE2-CB 4.22Å; Y81-P168 HydrophobicContact CD1-CB 3.72Å; Y81-P168 HydrophobicContact CD1-CG 4.23Å; Y81-P168 HydrophobicContact CE1-CB 4.03Å; Y81-P168 HydrophobicContact CE1-CG 4.07Å; Y81-Y191 HydrophobicContact CD1-CD1 4.46Å; Y81-Y191 HydrophobicContact CD1-CD2 4.27Å; Y81-Y191 HydrophobicContact CD1-CE1 4.46Å; Y81-Y191 HydrophobicContact CD1-CE2 4.22Å; Y81-Y191 HydrophobicContact CD1-CG 4.34Å; Y81-Y191 HydrophobicContact CE1-CD1 4.26Å; Y81-Y191 HydrophobicContact CE1-CD2 4.39Å; Y81-Y191 HydrophobicContact CE1-CG 4.09Å; Y81-V192 HydrophobicContact CE2-CG2 4.3Å; Y81-V192 WeakPolarHBondContact OH-CG1 3.29Å; Y81-V192 WeakPolarHBondContact OH-CG2 3.39Å; Y81-V192 PolarHBondContact OH-N 3.12Å; Y81-M195 HydrophobicContact CD1-CG 3.99Å; Y81-M195 HydrophobicContact CD2-CG 4.35Å; Y81-M195 HydrophobicContact CE1-CG 4.17Å; Y81-M195 HydrophobicContact CE2-CB 4.46Å; Y81-M195 HydrophobicContact CG-CE 4.47Å; Y81-M195 HydrophobicContact CG-CG 4.09Å; Y81-M195 HydrophobicContact CG-SD 4.27Å
82D92.7Very high91.4Very high23 Ų2358.6 Ų58.612%0.12331%0.312CS..SBendtrans-122.9154.9-172.4-60.6-64.7000110.9Y57 V87 R93Y57-D82 PolarHBondContact OH-N 3.03Å; Y57-D82 PolarHBondContact OH-O 3.26Å; Y57-D82 VanDerWaalsContact OH-O 3.1Å; D82-V87 HydrophobicContact CB-CB 4.09Å; D82-V87 HydrophobicContact CB-CG1 4.27Å; D82-V87 HydrophobicContact CB-CG2 3.93Å; D82-R93 IonicContact OD1-CZ 3.36Å; D82-R93 IonicContact OD1-NE 3.68Å; D82-R93 PolarHBondContact OD1-NE 2.97Å; D82-R93 IonicContact OD1-NH2 3.2Å; D82-R93 PolarHBondContact OD1-NH2 3.47Å; D82-R93 WeakPolarHBondContact OD2-CA 3.41Å; D82-R93 WeakPolarHBondContact OD2-CB 3.16Å; D82-R93 WeakPolarHBondContact OD2-CG 3.29Å; D82-R93 IonicContact OD2-CZ 3.21Å; D82-R93 PolarHBondContact OD2-N 3.33Å; D82-R93 IonicContact OD2-NE 2.61Å; D82-R93 PolarHBondContact OD2-NE 2.94Å; D82-R93 IonicContact OD2-NH2 2.81Å
83N88.1Confident91.8Very high44 Ų4456.4 Ų56.424%0.23529%0.289CS..  trans-91.6116.4172.4178.5-15.3000109.3H85 T86 V87N83-H85 PolarHBondContact O-N 3.33Å; N83-H85 VanDerWaalsContact O-N 3.12Å; N83-H85 WeakPolarHBondContact OD1-CB 3.41Å; N83-H85 PolarHBondContact OD1-CD2 2.93Å; N83-H85 PolarHBondContact OD1-N 3.38Å; N83-T86 HydrophobicContact CB-CG2 4.49Å; N83-T86 WeakPolarHBondContact CB-OG1 3.13Å; N83-T86 PolarHBondContact O-N 3.25Å; N83-T86 PolarHBondContact O-OG1 2.9Å; N83-V87 PolarHBondContact O-N 3.47Å
84P85.5Confident92.3Very high63 Ų6347.3 Ų47.341%0.40925%0.249SC..THydrogen-bonded Turntrans-67.6-12.6-174.929.7-36000113.7Y57Y57-P84 HydrophobicContact CD2-CB 4.09Å; Y57-P84 HydrophobicContact CD2-CG 4.2Å; Y57-P84 HydrophobicContact CE2-CB 4.19Å; Y57-P84 HydrophobicContact CE2-CG 4.22Å
85H84.4Confident92.5Very high158 Ų15846.1 Ų46.173%0.73124%0.243SC*.THydrogen-bonded Turntrans-83.4-16.3172.8-60.4-65.3000113.2N83N83-H85 PolarHBondContact O-N 3.33Å; N83-H85 VanDerWaalsContact O-N 3.12Å; N83-H85 WeakPolarHBondContact OD1-CB 3.41Å; N83-H85 PolarHBondContact OD1-CD2 2.93Å; N83-H85 PolarHBondContact OD1-N 3.38Å
86T87.5Confident92.7Very high104 Ų10444.3 Ų44.364%0.63823%0.231SC*.THydrogen-bonded Turntrans-115.6-30.5-176.861.50000113N83N83-T86 HydrophobicContact CB-CG2 4.49Å; N83-T86 WeakPolarHBondContact CB-OG1 3.13Å; N83-T86 PolarHBondContact O-N 3.25Å; N83-T86 PolarHBondContact O-OG1 2.9Å
87V91.2Very high92.7Very high34 Ų3443.6 Ų43.621%0.20623%0.226CC..SBendtrans-103.6131.9-180179.80000108.3D82 N83 K91D82-V87 HydrophobicContact CB-CB 4.09Å; D82-V87 HydrophobicContact CB-CG1 4.27Å; D82-V87 HydrophobicContact CB-CG2 3.93Å; N83-V87 PolarHBondContact O-N 3.47Å; V87-K91 HydrophobicContact CG1-CB 3.83Å
88P92.9Very high92.7Very high61 Ų6144.1 Ų44.140%0.39623%0.228SC..  trans-55.3140.5175.3-26.134.4000111.5E90 K91 C92P88-E90 PolarHBondContact O-N 3.4Å; P88-K91 HydrophobicContact CG-CD 4.37Å; P88-K91 PolarHBondContact O-N 2.94Å; P88-C92 PolarHBondContact O-N 3.2Å; P88-C92 PolarHBondContact O-SG 3.36Å; P88-C92 VanDerWaalsContact O-SG 3.39Å
89P91.5Very high92.7Very high62 Ų6244.7 Ų44.740%0.40323%0.231SC..G310 helixtrans-50.4-37.1-176.5-2935.5000114.2G55 P56 K91 C92G55-P89 CarbonylContact C-O 2.87Å; G55-P89 WeakPolarHBondContact CA-O 3.38Å; G55-P89 VanDerWaalsContact O-O 3.06Å; P56-P89 WeakPolarHBondContact CA-O 3.19Å; P56-P89 HydrophobicContact CB-CB 4.08Å; P56-P89 HydrophobicContact CG-CB 4.09Å; P89-K91 PolarHBondContact O-N 3.02Å; P89-C92 WeakPolarHBondContact O-CB 3.4Å; P89-C92 PolarHBondContact O-N 3.17Å
90E92.6Very high92.5Very high131 Ų13145.2 Ų45.261%0.61223%0.234SC*.G310 helixtrans-70.7-17.9-177.2-53.773-161.100112.8P88P88-E90 PolarHBondContact O-N 3.4Å
91K92.8Very high92.4Very high140 Ų14044.8 Ų44.861%0.60923%0.234SC*.G310 helixtrans-106-6.2179.9-63.6-176.8-179.3179.30112.6V87 P88 P89 R93V87-K91 HydrophobicContact CG1-CB 3.83Å; P88-K91 HydrophobicContact CG-CD 4.37Å; P88-K91 PolarHBondContact O-N 2.94Å; P89-K91 PolarHBondContact O-N 3.02Å; K91-R93 PolarHBondContact O-N 2.99Å
92C93.5Very high92.2Very high2 Ų247.2 Ų47.21%0.01425%0.246CC..  trans-65.8131.7179.6-72.40000110.9V54 G55 Y57 P88 P89V54-C92 CarbonylContact C-O 3.54Å; V54-C92 WeakPolarHBondContact CA-O 3.43Å; G55-C92 PolarHBondContact N-O 3.28Å; G55-C92 VanDerWaalsContact O-O 3.1Å; Y57-C92 HydrophobicContact CD1-CB 3.96Å; Y57-C92 HydrophobicContact CE1-CB 3.47Å; Y57-C92 VanDerWaalsContact CE1-CB 3.47Å; Y57-C92 HydrophobicContact CE2-CB 4.4Å; P88-C92 PolarHBondContact O-N 3.2Å; P88-C92 PolarHBondContact O-SG 3.36Å; P88-C92 VanDerWaalsContact O-SG 3.39Å; P89-C92 WeakPolarHBondContact O-CB 3.4Å; P89-C92 PolarHBondContact O-N 3.17Å
93R95.1Very high91.9Very high48 Ų4847.6 Ų47.618%0.18126%0.255CS..EExtended strand (participates in β ladder)trans-109.8138.1-176.8-56.9166.2-70.4-173.5-1.6109.6F52 V54 Y57 Y81 D82 K91 M195 L198F52-R93 HydrophobicContact CE2-CB 4.11Å; F52-R93 HydrophobicContact CZ-CB 4.01Å; F52-R93 HydrophobicContact CZ-CG 4.26Å; V54-R93 HydrophobicContact CG1-CG 4.12Å; V54-R93 HydrophobicContact CG2-CG 4.03Å; Y57-R93 PolarHBondContact OH-O 3.05Å; Y81-R93 HydrophobicContact CD2-CB 4.19Å; Y81-R93 PolarHBondContact N-O 2.95Å; Y81-R93 VanDerWaalsContact N-O 3.14Å; D82-R93 IonicContact OD1-CZ 3.36Å; D82-R93 IonicContact OD1-NE 3.68Å; D82-R93 PolarHBondContact OD1-NE 2.97Å; D82-R93 IonicContact OD1-NH2 3.2Å; D82-R93 PolarHBondContact OD1-NH2 3.47Å; D82-R93 WeakPolarHBondContact OD2-CA 3.41Å; D82-R93 WeakPolarHBondContact OD2-CB 3.16Å; D82-R93 WeakPolarHBondContact OD2-CG 3.29Å; D82-R93 IonicContact OD2-CZ 3.21Å; D82-R93 PolarHBondContact OD2-N 3.33Å; D82-R93 IonicContact OD2-NE 2.61Å; D82-R93 PolarHBondContact OD2-NE 2.94Å; D82-R93 IonicContact OD2-NH2 2.81Å; K91-R93 PolarHBondContact O-N 2.99Å; R93-M195 VanDerWaalsContact CZ-SD 3.58Å; R93-M195 VanDerWaalsContact NH1-CE 3.26Å; R93-M195 PolarHBondContact NH1-SD 3.08Å; R93-M195 VanDerWaalsContact NH1-SD 3.41Å; R93-L198 HydrophobicContact CG-CD2 4.34Å
94F95.8Very high91.4Very high2 Ų254.2 Ų54.21%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-155.5156.7-179.762.2-73.4000111.7R53 G55 Y57 L63 V79 Y80 I96R53-F94 HydrophobicContact CB-CD1 4.48Å; R53-F94 HydrophobicContact CB-CE1 3.9Å; R53-F94 HydrophobicContact CB-CE2 4.19Å; R53-F94 HydrophobicContact CB-CZ 3.73Å; R53-F94 PolarHBondContact N-O 2.61Å; R53-F94 PolarHBondContact O-N 2.82Å; R53-F94 VanDerWaalsContact O-O 3.08Å; G55-F94 WeakPolarHBondContact O-CE1 3.46Å; Y57-F94 HydrophobicContact CD1-CB 4.08Å; Y57-F94 AromaticContact CD1-CD1 3.52Å; Y57-F94 HydrophobicContact CD1-CD1 3.52Å; Y57-F94 HydrophobicContact CD1-CE1 4.1Å; Y57-F94 AromaticContact CD1-CG 3.85Å; Y57-F94 HydrophobicContact CD1-CG 3.85Å; Y57-F94 HydrophobicContact CE1-CB 3.62Å; Y57-F94 AromaticContact CE1-CD1 3.54Å; Y57-F94 HydrophobicContact CE1-CD1 3.54Å; Y57-F94 HydrophobicContact CE1-CE1 4.49Å; Y57-F94 AromaticContact CE1-CG 3.82Å; Y57-F94 HydrophobicContact CE1-CG 3.82Å; L63-F94 HydrophobicContact CD1-CE2 3.71Å; L63-F94 HydrophobicContact CD1-CZ 4.38Å; V79-F94 CarbonylContact O-C 3.57Å; V79-F94 WeakPolarHBondContact O-CA 3.42Å; V79-F94 WeakPolarHBondContact O-CB 3.28Å; Y80-F94 HydrophobicContact CD1-CB 3.83Å; Y80-F94 HydrophobicContact CE1-CB 4.3Å; F94-I96 HydrophobicContact CD2-CD1 3.87Å; F94-I96 HydrophobicContact CD2-CG1 3.63Å; F94-I96 HydrophobicContact CE2-CD1 4.5Å; F94-I96 HydrophobicContact CE2-CG1 3.88Å
95A96.4Very high91.2Very high1 Ų154 Ų541%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-127.1123.2172.900000109.1Y50 K51 F52 G78 V79 Y81 V192Y50-A95 HydrophobicContact CD2-CB 3.91Å; Y50-A95 HydrophobicContact CG-CB 4.47Å; K51-A95 WeakPolarHBondContact O-CA 3.34Å; F52-A95 HydrophobicContact CD2-CB 4.45Å; G78-A95 CarbonylContact C-O 3.47Å; V79-A95 HydrophobicContact CB-CB 4.32Å; V79-A95 PolarHBondContact N-O 2.94Å; V79-A95 PolarHBondContact O-N 2.91Å; Y81-A95 HydrophobicContact CE2-CB 4.22Å; A95-V192 HydrophobicContact CB-CG1 4.28Å; A95-V192 HydrophobicContact CB-CG2 4.48Å
96I96.3Very high91.1Very high0 Ų055.8 Ų55.80%029%0.293CS..EExtended strand (participates in β ladder)trans-113.1140.2177.1-55.1-53.7000109.1Y50 K51 L63 F64 Y80 F94Y50-I96 CarbonylContact C-O 3.58Å; Y50-I96 VanDerWaalsContact CA-O 3.29Å; Y50-I96 WeakPolarHBondContact CA-O 3.48Å; K51-I96 PolarHBondContact N-O 2.94Å; K51-I96 PolarHBondContact O-N 3.11Å; K51-I96 VanDerWaalsContact O-N 3.1Å; L63-I96 HydrophobicContact CB-CB 3.74Å; L63-I96 HydrophobicContact CB-CG1 4.1Å; L63-I96 HydrophobicContact CB-CG2 3.84Å; L63-I96 HydrophobicContact CD1-CB 3.97Å; L63-I96 HydrophobicContact CD1-CG1 3.9Å; F64-I96 HydrophobicContact CB-CG2 4.47Å; F64-I96 HydrophobicContact CD1-CG2 3.57Å; F64-I96 HydrophobicContact CD2-CD1 4.49Å; F64-I96 HydrophobicContact CD2-CG2 3.86Å; F64-I96 HydrophobicContact CE1-CG2 3.62Å; F64-I96 HydrophobicContact CE2-CD1 3.69Å; F64-I96 HydrophobicContact CE2-CG1 4.25Å; F64-I96 HydrophobicContact CE2-CG2 3.91Å; F64-I96 HydrophobicContact CG-CG2 3.69Å; F64-I96 HydrophobicContact CZ-CD1 3.78Å; F64-I96 HydrophobicContact CZ-CG2 3.8Å; Y80-I96 HydrophobicContact CE1-CD1 4.45Å; F94-I96 HydrophobicContact CD2-CD1 3.87Å; F94-I96 HydrophobicContact CD2-CG1 3.63Å; F94-I96 HydrophobicContact CE2-CD1 4.5Å; F94-I96 HydrophobicContact CE2-CG1 3.88Å
97G95Very high91.1Very high1 Ų152.1 Ų52.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-167.5-166.2-173.400000115.1A49 I77A49-G97 CarbonylContact O-C 3.57Å; A49-G97 WeakPolarHBondContact O-CA 3.18Å; I77-G97 PolarHBondContact N-O 2.99Å; I77-G97 PolarHBondContact O-N 3.47Å
98R95.1Very high91Very high12 Ų1252.7 Ų52.75%0.04528%0.277CS..EExtended strand (participates in β ladder)trans-128141.9176.1-68.6-84169162.2-6.7109.6L48 A49 S67 C68 S71 L74 C75 S76 L100 F115L48-R98 CarbonylContact C-O 3.56Å; L48-R98 VanDerWaalsContact CA-O 3.27Å; L48-R98 WeakPolarHBondContact CA-O 3.41Å; A49-R98 PolarHBondContact N-O 2.96Å; A49-R98 PolarHBondContact O-N 2.82Å; S67-R98 PolarHBondContact OG-NE 2.82Å; C68-R98 PolarHBondContact SG-NH2 2.84Å; S71-R98 PolarHBondContact O-NH1 3.06Å; L74-R98 HydrophobicContact CB-CB 4.19Å; L74-R98 HydrophobicContact CD1-CB 4.47Å; L74-R98 WeakPolarHBondContact O-CD 3.37Å; L74-R98 PolarHBondContact O-NH1 3.03Å; C75-R98 CarbonylContact O-C 3.5Å; C75-R98 VanDerWaalsContact O-CA 3.3Å; C75-R98 WeakPolarHBondContact O-CA 3.2Å; S76-R98 PolarHBondContact OG-NE 2.99Å; S76-R98 PolarHBondContact OG-NH1 3.01Å; S76-R98 PolarHBondContact OG-NH2 2.84Å; R98-L100 PolarHBondContact O-N 3.1Å; R98-F115 HydrophobicContact CB-CE1 4.06Å; R98-F115 HydrophobicContact CB-CZ 3.81Å; R98-F115 HydrophobicContact CG-CE1 3.95Å; R98-F115 HydrophobicContact CG-CZ 3.79Å
99I94.8Very high90.9Very high12 Ų1256.1 Ų56.16%0.06229%0.288CS..EExtended strand (participates in β ladder)trans-79.4118.1172-57.9176000107.5I46 C75 I77 S101 I172I46-I99 HydrophobicContact CB-CG2 4.22Å; I46-I99 HydrophobicContact CD1-CD1 4.27Å; I46-I99 HydrophobicContact CD1-CG1 4.48Å; I46-I99 HydrophobicContact CG2-CG2 4.24Å; C75-I99 HydrophobicContact CB-CB 4.41Å; C75-I99 HydrophobicContact CB-CD1 4.3Å; C75-I99 PolarHBondContact O-N 2.93Å; I77-I99 HydrophobicContact CB-CD1 4.32Å; I77-I99 HydrophobicContact CB-CG1 4.02Å; I77-I99 HydrophobicContact CD1-CD1 4.37Å; I77-I99 HydrophobicContact CD1-CG1 4.4Å; I77-I99 HydrophobicContact CG2-CG1 3.91Å; I99-S101 WeakPolarHBondContact CG2-O 3.18Å; I99-I172 HydrophobicContact CD1-CG2 3.72Å
100L93Very high90.9Very high13 Ų1360.5 Ų60.57%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-84.8-36177.9-57.6-171.2000111.8T47 A49 L74 R98 P107 I112 F115 I122T47-L100 PolarHBondContact O-N 2.64Å; A49-L100 HydrophobicContact CB-CD1 4.13Å; A49-L100 HydrophobicContact CB-CD2 3.96Å; A49-L100 HydrophobicContact CB-CG 4.08Å; L74-L100 HydrophobicContact CD1-CD2 3.66Å; R98-L100 PolarHBondContact O-N 3.1Å; L100-P107 HydrophobicContact CB-CB 3.63Å; L100-P107 HydrophobicContact CD1-CB 4.2Å; L100-I112 HydrophobicContact CD1-CG1 3.78Å; L100-F115 HydrophobicContact CD2-CD2 3.73Å; L100-F115 HydrophobicContact CD2-CE2 3.78Å; L100-F115 HydrophobicContact CD2-CG 4.46Å; L100-I122 HydrophobicContact CD1-CD1 3.79Å
101S92.2Very high90.7Very high12 Ų1256.9 Ų56.98%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-154.6155174.669.10000111.7I46 T47 I99 A105 P107I46-S101 WeakPolarHBondContact CA-O 3.4Å; T47-S101 PolarHBondContact N-O 3.13Å; T47-S101 PolarHBondContact O-N 3.26Å; I99-S101 WeakPolarHBondContact CG2-O 3.18Å; S101-A105 WeakPolarHBondContact CB-O 3.37Å; S101-A105 PolarHBondContact OG-O 3.28Å; S101-P107 WeakPolarHBondContact OG-CD 3.37Å
102E90.6Very high90.8Very high69 Ų6951.9 Ų51.932%0.32227%0.266SS..EExtended strand (participates in β ladder)trans-126.1139.1178.5-177.3176.2-175.600109.1V43 G44 S45 I46 K174V43-E102 VanDerWaalsContact CA-OE1 3.32Å; V43-E102 WeakPolarHBondContact CA-OE1 2.95Å; V43-E102 WeakPolarHBondContact CB-OE1 3.17Å; G44-E102 PolarHBondContact N-OE1 2.72Å; S45-E102 CarbonylContact O-C 3.59Å; S45-E102 WeakPolarHBondContact O-CA 3.36Å; I46-E102 HydrophobicContact CG2-CB 4.3Å; I46-E102 HydrophobicContact CG2-CG 4.05Å; E102-K174 IonicContact OE2-NZ 3.39Å; E102-K174 PolarHBondContact OE2-NZ 3.22Å; E102-K174 VanDerWaalsContact OE2-NZ 3.1Å
103G85.7Confident90.8Very high30 Ų3057.8 Ų57.831%0.30929%0.291SS..THydrogen-bonded Turntrans73.6-141.6-17600000113.8S45 A105S45-G103 PolarHBondContact O-N 3.39Å; S45-G103 PolarHBondContact OG-O 2.96Å; S45-G103 VanDerWaalsContact OG-O 3.1Å; G103-A105 PolarHBondContact O-N 3.08Å
104E76.9Confident90.7Very high183 Ų18359.2 Ų59.286%0.85530%0.3SS*.THydrogen-bonded Turntrans-79-4.1179-62.8-61.1149.400113.2K106E104-K106 PolarHBondContact O-N 3Å
105A82.4Confident90.6Very high58 Ų5859.1 Ų59.148%0.47930%0.299SS..PPolyproline II helixtrans-67.8127.6179.200000110.4S101 G103S101-A105 WeakPolarHBondContact CB-O 3.37Å; S101-A105 PolarHBondContact OG-O 3.28Å; G103-A105 PolarHBondContact O-N 3.08Å
106K82.8Confident90.5Very high196 Ų19664 Ų6485%0.85232%0.322SS*.PPolyproline II helixtrans-78.3135.3173.7-69.2-177.1-178.8176.90110E104E104-K106 PolarHBondContact O-N 3Å
107P87.1Confident90.4Very high28 Ų2872.2 Ų72.218%0.18236%0.358CS..PPolyproline II helixtrans-65.5147.9174.729.9-35.8000110.4T47 L100 S101 E109 I112T47-P107 HydrophobicContact CG2-CG 4.02Å; L100-P107 HydrophobicContact CB-CB 3.63Å; L100-P107 HydrophobicContact CD1-CB 4.2Å; S101-P107 WeakPolarHBondContact OG-CD 3.37Å; P107-E109 PolarHBondContact O-N 2.91Å; P107-I112 HydrophobicContact CB-CD1 4.03Å; P107-I112 HydrophobicContact CB-CG1 4.22Å; P107-I112 HydrophobicContact CG-CD1 3.59Å; P107-I112 HydrophobicContact CG-CG1 4.21Å
108S88.7Confident90.3Very high45 Ų4578 Ų7832%0.31538%0.38SS..PPolyproline II helixtrans-63.1131.7174.7165.30000110.4E110 Q111 I112S108-E110 PolarHBondContact O-N 3.06Å; S108-E110 PolarHBondContact OG-N 2.85Å; S108-Q111 WeakPolarHBondContact O-CB 3.49Å; S108-Q111 PolarHBondContact O-N 2.87Å; S108-Q111 VanDerWaalsContact O-N 3.15Å; S108-I112 PolarHBondContact O-N 2.87Å
109E91.1Very high90.2Very high133 Ų13379.9 Ų79.962%0.62140%0.403SS*.Hα-helixtrans-58.7-32.4175.7-70.7-168.6-170.800112.5P107 I112 K113P107-E109 PolarHBondContact O-N 2.91Å; E109-I112 PolarHBondContact O-N 3.49Å; E109-K113 WeakPolarHBondContact O-CB 3.22Å; E109-K113 VanDerWaalsContact O-CG 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 2.77Å; E109-K113 IonicContact OE2-NZ 3.72Å; E109-K113 PolarHBondContact OE2-NZ 3.16Å
110E90.4Very high90.1Very high155 Ų15579.6 Ų79.672%0.72440%0.402SS*.Hα-helixtrans-65.4-44.3178.2-60.8176.9173.900110.6S108 K113 Q114S108-E110 PolarHBondContact O-N 3.06Å; S108-E110 PolarHBondContact OG-N 2.85Å; E110-K113 PolarHBondContact O-N 3.33Å; E110-Q114 VanDerWaalsContact O-CB 3.31Å; E110-Q114 WeakPolarHBondContact O-CB 3.34Å; E110-Q114 PolarHBondContact O-N 2.99Å
111Q90.3Very high90.3Very high54 Ų5484.3 Ų84.325%0.25242%0.421SS..Hα-helixtrans-63.3-45.1176.1-68.2176.6-3400110.7S108 K113 Q114 F115S108-Q111 WeakPolarHBondContact O-CB 3.49Å; S108-Q111 PolarHBondContact O-N 2.87Å; S108-Q111 VanDerWaalsContact O-N 3.15Å; Q111-K113 PolarHBondContact O-N 2.75Å; Q111-Q114 PolarHBondContact O-N 3.29Å; Q111-F115 WeakPolarHBondContact O-CD2 3.39Å; Q111-F115 PolarHBondContact O-N 3.45Å
112I92.8Very high90.4Very high36 Ų3686.1 Ų86.119%0.18543%0.43CS..Hα-helixtrans-56.4-52.2176.3-70.1164.4000110.8L100 P107 S108 E109 Q114 F115 Q116 I122L100-I112 HydrophobicContact CD1-CG1 3.78Å; P107-I112 HydrophobicContact CB-CD1 4.03Å; P107-I112 HydrophobicContact CB-CG1 4.22Å; P107-I112 HydrophobicContact CG-CD1 3.59Å; P107-I112 HydrophobicContact CG-CG1 4.21Å; S108-I112 PolarHBondContact O-N 2.87Å; E109-I112 PolarHBondContact O-N 3.49Å; I112-Q114 VanDerWaalsContact C-N 3.29Å; I112-Q114 PolarHBondContact O-N 3.23Å; I112-F115 PolarHBondContact O-N 3.34Å; I112-Q116 HydrophobicContact CG2-CG 4.36Å; I112-Q116 WeakPolarHBondContact O-CB 3.38Å; I112-Q116 VanDerWaalsContact O-CG 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.24Å; I112-Q116 PolarHBondContact O-N 2.94Å; I112-I122 HydrophobicContact CG2-CG1 3.97Å
113K93.7Very high90.6Very high126 Ų12685.1 Ų85.155%0.54843%0.425SS..Hα-helixtrans-60.6-39.9179.8-73.6167.7-174.5158.30111.4E109 E110 Q111 K117E109-K113 WeakPolarHBondContact O-CB 3.22Å; E109-K113 VanDerWaalsContact O-CG 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 2.77Å; E109-K113 IonicContact OE2-NZ 3.72Å; E109-K113 PolarHBondContact OE2-NZ 3.16Å; E110-K113 PolarHBondContact O-N 3.33Å; Q111-K113 PolarHBondContact O-N 2.75Å; K113-K117 WeakPolarHBondContact O-CB 3.45Å; K113-K117 PolarHBondContact O-N 2.85Å
114Q93.3Very high91Very high77 Ų7786.8 Ų86.836%0.3643%0.431SS..Hα-helixtrans-63.8-49.9178-167.4-175.1-2.900111.5I70 E110 Q111 I112 Q116 K117 Y118I70-Q114 HydrophobicContact CG2-CG 3.81Å; I70-Q114 PolarHBondContact O-NE2 2.87Å; I70-Q114 VanDerWaalsContact O-NE2 3.08Å; E110-Q114 VanDerWaalsContact O-CB 3.31Å; E110-Q114 WeakPolarHBondContact O-CB 3.34Å; E110-Q114 PolarHBondContact O-N 2.99Å; Q111-Q114 PolarHBondContact O-N 3.29Å; I112-Q114 VanDerWaalsContact C-N 3.29Å; I112-Q114 PolarHBondContact O-N 3.23Å; Q114-Q116 PolarHBondContact O-N 2.84Å; Q114-K117 WeakPolarHBondContact O-CB 3.45Å; Q114-K117 PolarHBondContact O-N 3.36Å; Q114-Y118 HydrophobicContact CG-CE2 4.23Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.47Å; Q114-Y118 PolarHBondContact O-N 3.42Å
115F93.8Very high91.8Very high0 Ų078.2 Ų78.20%039%0.391CS..Hα-helixtrans-63.2-41.6178.2-88.6-82.3000112.1A49 I70 L74 R98 L100 Q111 I112 K117 Y118 G119 F120A49-F115 HydrophobicContact CB-CB 3.76Å; A49-F115 HydrophobicContact CB-CD1 3.58Å; A49-F115 HydrophobicContact CB-CD2 4.23Å; A49-F115 HydrophobicContact CB-CE1 4.25Å; A49-F115 HydrophobicContact CB-CG 3.58Å; I70-F115 HydrophobicContact CB-CE1 4.09Å; I70-F115 HydrophobicContact CB-CZ 4.08Å; I70-F115 HydrophobicContact CD1-CD1 3.94Å; I70-F115 HydrophobicContact CD1-CE1 3.98Å; I70-F115 HydrophobicContact CG2-CD1 4.21Å; I70-F115 HydrophobicContact CG2-CD2 4.09Å; I70-F115 HydrophobicContact CG2-CE1 4.02Å; I70-F115 HydrophobicContact CG2-CE2 3.88Å; I70-F115 HydrophobicContact CG2-CG 4.24Å; I70-F115 HydrophobicContact CG2-CZ 3.84Å; L74-F115 HydrophobicContact CD1-CE2 3.75Å; L74-F115 HydrophobicContact CD1-CZ 4.2Å; R98-F115 HydrophobicContact CB-CE1 4.06Å; R98-F115 HydrophobicContact CB-CZ 3.81Å; R98-F115 HydrophobicContact CG-CE1 3.95Å; R98-F115 HydrophobicContact CG-CZ 3.79Å; L100-F115 HydrophobicContact CD2-CD2 3.73Å; L100-F115 HydrophobicContact CD2-CE2 3.78Å; L100-F115 HydrophobicContact CD2-CG 4.46Å; Q111-F115 WeakPolarHBondContact O-CD2 3.39Å; Q111-F115 PolarHBondContact O-N 3.45Å; I112-F115 PolarHBondContact O-N 3.34Å; F115-K117 VanDerWaalsContact C-N 3.33Å; F115-K117 PolarHBondContact O-N 3.35Å; F115-Y118 CarbonylContact O-C 3.56Å; F115-Y118 PolarHBondContact O-N 3.41Å; F115-Y118 VanDerWaalsContact O-N 3.14Å; F115-G119 PolarHBondContact O-N 3.04Å; F115-F120 HydrophobicContact CB-CB 3.99Å; F115-F120 HydrophobicContact CD1-CB 4.05Å; F115-F120 AromaticContact CD1-CD1 3.97Å; F115-F120 HydrophobicContact CD1-CD1 3.97Å; F115-F120 AromaticContact CD1-CD2 3.94Å; F115-F120 HydrophobicContact CD1-CD2 3.94Å; F115-F120 HydrophobicContact CD1-CE1 4.45Å; F115-F120 HydrophobicContact CD1-CE2 4.42Å; F115-F120 AromaticContact CD1-CG 3.72Å; F115-F120 HydrophobicContact CD1-CG 3.72Å; F115-F120 HydrophobicContact CE1-CD1 4.46Å; F115-F120 WeakPolarHBondContact O-CB 3.19Å; F115-F120 PolarHBondContact O-N 3.24Å
116Q94.3Very high92.2Very high105 Ų10577.1 Ų77.149%0.49138%0.379SS..Hα-helixtrans-60.7-39.6175.1-74.8177.6-1400112.6I112 Q114 Y118 G119 F120 I122I112-Q116 HydrophobicContact CG2-CG 4.36Å; I112-Q116 WeakPolarHBondContact O-CB 3.38Å; I112-Q116 VanDerWaalsContact O-CG 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.24Å; I112-Q116 PolarHBondContact O-N 2.94Å; Q114-Q116 PolarHBondContact O-N 2.84Å; Q116-Y118 PolarHBondContact O-N 3.19Å; Q116-G119 PolarHBondContact O-N 3.41Å; Q116-F120 WeakPolarHBondContact CA-O 2.92Å; Q116-I122 HydrophobicContact CG-CG1 4.31Å
117K94.6Very high92.5Very high171 Ų17170.3 Ų70.374%0.74336%0.36SS*.Hα-helixtrans-57.5-33.1175.8-176.3-177.9176.6-176.90112.5K113 Q114 F115 G119K113-K117 WeakPolarHBondContact O-CB 3.45Å; K113-K117 PolarHBondContact O-N 2.85Å; Q114-K117 WeakPolarHBondContact O-CB 3.45Å; Q114-K117 PolarHBondContact O-N 3.36Å; F115-K117 VanDerWaalsContact C-N 3.33Å; F115-K117 PolarHBondContact O-N 3.35Å; K117-G119 VanDerWaalsContact C-N 3.32Å
118Y92.6Very high92.4Very high123 Ų12369.6 Ų69.648%0.48236%0.355SS..THydrogen-bonded Turntrans-92.713.5176.9-67.3-75.7000113.5K51 I70 Q114 F115 Q116K51-Y118 WeakPolarHBondContact CE-O 3.47Å; K51-Y118 PolarHBondContact NZ-O 3.43Å; I70-Y118 HydrophobicContact CD1-CD2 3.78Å; I70-Y118 HydrophobicContact CD1-CG 3.81Å; I70-Y118 HydrophobicContact CG1-CD2 3.75Å; I70-Y118 HydrophobicContact CG1-CE2 4.25Å; I70-Y118 HydrophobicContact CG1-CG 4.05Å; I70-Y118 HydrophobicContact CG2-CD2 4.24Å; Q114-Y118 HydrophobicContact CG-CE2 4.23Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.47Å; Q114-Y118 PolarHBondContact O-N 3.42Å; F115-Y118 CarbonylContact O-C 3.56Å; F115-Y118 PolarHBondContact O-N 3.41Å; F115-Y118 VanDerWaalsContact O-N 3.14Å; Q116-Y118 PolarHBondContact O-N 3.19Å
119G92.3Very high92.2Very high52 Ų5270.4 Ų70.454%0.53636%0.36SS..THydrogen-bonded Turntrans79.121.5174.500000114.8K51 F115 Q116 K117K51-G119 WeakPolarHBondContact CE-O 3.25Å; F115-G119 PolarHBondContact O-N 3.04Å; Q116-G119 PolarHBondContact O-N 3.41Å; K117-G119 VanDerWaalsContact C-N 3.32Å
120F94.7Very high92.2Very high6 Ų669.5 Ų69.53%0.02636%0.356CS..PPolyproline II helixtrans-84.8141.6169.8-71-107.5000110.2A49 Y50 K51 I70 F115 Q116A49-F120 HydrophobicContact CB-CB 4.19Å; Y50-F120 WeakPolarHBondContact O-CA 3.45Å; K51-F120 HydrophobicContact CD-CD1 4.45Å; K51-F120 HydrophobicContact CD-CD2 4.25Å; K51-F120 HydrophobicContact CD-CE1 4.17Å; K51-F120 HydrophobicContact CD-CE2 3.94Å; K51-F120 HydrophobicContact CD-CG 4.47Å; K51-F120 HydrophobicContact CD-CZ 3.9Å; K51-F120 VanDerWaalsContact CE-CE2 3.42Å; K51-F120 HydrophobicContact CG-CD1 3.88Å; K51-F120 HydrophobicContact CG-CD2 4.3Å; K51-F120 HydrophobicContact CG-CE1 3.96Å; K51-F120 HydrophobicContact CG-CE2 4.36Å; K51-F120 HydrophobicContact CG-CG 4.03Å; K51-F120 HydrophobicContact CG-CZ 4.19Å; I70-F120 HydrophobicContact CD1-CD2 3.74Å; I70-F120 HydrophobicContact CD1-CE2 3.32Å; I70-F120 HydrophobicContact CD1-CZ 4.09Å; F115-F120 HydrophobicContact CB-CB 3.99Å; F115-F120 HydrophobicContact CD1-CB 4.05Å; F115-F120 AromaticContact CD1-CD1 3.97Å; F115-F120 HydrophobicContact CD1-CD1 3.97Å; F115-F120 AromaticContact CD1-CD2 3.94Å; F115-F120 HydrophobicContact CD1-CD2 3.94Å; F115-F120 HydrophobicContact CD1-CE1 4.45Å; F115-F120 HydrophobicContact CD1-CE2 4.42Å; F115-F120 AromaticContact CD1-CG 3.72Å; F115-F120 HydrophobicContact CD1-CG 3.72Å; F115-F120 HydrophobicContact CE1-CD1 4.46Å; F115-F120 WeakPolarHBondContact O-CB 3.19Å; F115-F120 PolarHBondContact O-N 3.24Å; Q116-F120 WeakPolarHBondContact CA-O 2.92Å
121K95.4Very high92.4Very high111 Ų11162.1 Ų62.148%0.48332%0.321SS..EExtended strand (participates in β ladder)trans-95.7150.5172.7-70.2173-179.3-177.40109.8A49 Y50 E194A49-K121 CarbonylContact C-O 3.48Å; A49-K121 VanDerWaalsContact CA-O 3.29Å; A49-K121 WeakPolarHBondContact CA-O 3.27Å; Y50-K121 HydrophobicContact CD1-CB 4.43Å; Y50-K121 WeakPolarHBondContact CD1-O 3.3Å; Y50-K121 HydrophobicContact CE1-CB 3.79Å; Y50-K121 WeakPolarHBondContact CE1-O 3.42Å; Y50-K121 HydrophobicContact CE2-CB 4.41Å; Y50-K121 PolarHBondContact N-O 3.15Å; Y50-K121 PolarHBondContact O-N 3.29Å; K121-E194 WeakPolarHBondContact CD-OE1 3.23Å; K121-E194 VanDerWaalsContact CE-OE1 3.29Å; K121-E194 WeakPolarHBondContact CE-OE1 3.38Å; K121-E194 IonicContact NZ-OE1 2.64Å; K121-E194 PolarHBondContact NZ-OE1 3.3Å
122I95.2Very high92.6Very high50 Ų5059.5 Ų59.526%0.25631%0.309SS..EExtended strand (participates in β ladder)trans-102.9133.3178.1-50.9-52.2000108.8T47 L48 A49 L100 I112 Q116T47-I122 HydrophobicContact CG2-CG2 3.78Å; L48-I122 WeakPolarHBondContact O-CA 3.39Å; A49-I122 HydrophobicContact CB-CD1 3.56Å; L100-I122 HydrophobicContact CD1-CD1 3.79Å; I112-I122 HydrophobicContact CG2-CG1 3.97Å; Q116-I122 HydrophobicContact CG-CG1 4.31Å
123F94.6Very high92.7Very high49 Ų4959.2 Ų59.222%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-148158.4173.1-171.2-111000109.7L48 Y50 F125 V192 P193L48-F123 PolarHBondContact N-O 2.66Å; L48-F123 PolarHBondContact O-N 3.27Å; Y50-F123 HydrophobicContact CD1-CB 4.19Å; Y50-F123 HydrophobicContact CE1-CB 3.44Å; Y50-F123 VanDerWaalsContact CE1-CB 3.44Å; F123-F125 AromaticContact CD1-CD1 3.63Å; F123-F125 HydrophobicContact CD1-CD1 3.63Å; F123-F125 AromaticContact CD1-CE1 3.46Å; F123-F125 HydrophobicContact CD1-CE1 3.46Å; F123-F125 VanDerWaalsContact CD1-CE1 3.46Å; F123-F125 HydrophobicContact CD1-CZ 4.5Å; F123-F125 AromaticContact CE1-CD1 3.54Å; F123-F125 HydrophobicContact CE1-CD1 3.54Å; F123-F125 AromaticContact CE1-CE1 3.53Å; F123-F125 HydrophobicContact CE1-CE1 3.53Å; F123-V192 HydrophobicContact CD1-CG1 4.46Å; F123-P193 HydrophobicContact CD2-CG 3.97Å; F123-P193 HydrophobicContact CE2-CG 4.04Å
124S93.7Very high92.8Very high64 Ų6453.3 Ų53.345%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-122.8128179.8-580000109.9I46 T47I46-S124 CarbonylContact O-C 3.59Å; I46-S124 VanDerWaalsContact O-CA 3.23Å; I46-S124 WeakPolarHBondContact O-CA 3.48Å; T47-S124 WeakPolarHBondContact CG2-OG 3.33Å; T47-S124 PolarHBondContact OG1-OG 3.31Å
125F93.3Very high92.8Very high3 Ų352.1 Ų52.11%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-91.9137.7169.9-63.5-30.3000110.1S45 I46 L48 V79 F123 L170 F190 V192S45-F125 WeakPolarHBondContact CA-O 3.5Å; I46-F125 HydrophobicContact CD1-CD2 4.01Å; I46-F125 HydrophobicContact CG1-CB 3.88Å; I46-F125 HydrophobicContact CG1-CD2 4.15Å; I46-F125 HydrophobicContact CG1-CG 4.46Å; I46-F125 PolarHBondContact N-O 3.19Å; I46-F125 PolarHBondContact O-N 3.25Å; L48-F125 HydrophobicContact CD2-CD1 4.22Å; L48-F125 HydrophobicContact CD2-CD2 3.3Å; L48-F125 HydrophobicContact CD2-CE1 4.19Å; L48-F125 HydrophobicContact CD2-CE2 3.25Å; L48-F125 HydrophobicContact CD2-CG 3.8Å; L48-F125 HydrophobicContact CD2-CZ 3.73Å; V79-F125 HydrophobicContact CG2-CE2 3.71Å; V79-F125 HydrophobicContact CG2-CZ 4Å; F123-F125 AromaticContact CD1-CD1 3.63Å; F123-F125 HydrophobicContact CD1-CD1 3.63Å; F123-F125 AromaticContact CD1-CE1 3.46Å; F123-F125 HydrophobicContact CD1-CE1 3.46Å; F123-F125 VanDerWaalsContact CD1-CE1 3.46Å; F123-F125 HydrophobicContact CD1-CZ 4.5Å; F123-F125 AromaticContact CE1-CD1 3.54Å; F123-F125 HydrophobicContact CE1-CD1 3.54Å; F123-F125 AromaticContact CE1-CE1 3.53Å; F123-F125 HydrophobicContact CE1-CE1 3.53Å; F125-L170 HydrophobicContact CD2-CD2 4.21Å; F125-L170 HydrophobicContact CE2-CD2 4.33Å; F125-F190 HydrophobicContact CB-CD1 3.85Å; F125-F190 HydrophobicContact CB-CE1 4.03Å; F125-F190 HydrophobicContact CD1-CD1 4.45Å; F125-F190 HydrophobicContact CD2-CD1 4.17Å; F125-F190 WeakPolarHBondContact CE1-O 3.19Å; F125-F190 AromaticContact CG-CD1 3.94Å; F125-F190 HydrophobicContact CG-CD1 3.94Å; F125-F190 WeakPolarHBondContact CZ-O 3.27Å; F125-V192 HydrophobicContact CE1-CG1 4.3Å; F125-V192 HydrophobicContact CZ-CG1 4.17Å
126P91.3Very high92.9Very high36 Ų3652.1 Ų52.123%0.23428%0.28CS..PPolyproline II helixtrans-69.5163.3174.832.2-35.6000110.9D189 F190P126-D189 HydrophobicContact CG-CB 3.57Å; P126-F190 HydrophobicContact CG-CZ 4.23Å; P126-F190 WeakPolarHBondContact O-CE1 3.48Å
127A88.8Confident92.9Very high53 Ų5348.4 Ų48.444%0.43827%0.265SS..PPolyproline II helixtrans-60.8127168.700000109.4
128P85.8Confident92.8Very high12 Ų1243.4 Ų43.48%0.07824%0.244CC..PPolyproline II helixtrans-66.4145.4174.8-8.921000110.4P41 V131 F190P41-P128 HydrophobicContact CB-CB 4.01Å; P41-P128 HydrophobicContact CB-CG 3.73Å; P41-P128 WeakPolarHBondContact CD-O 3.35Å; P41-P128 HydrophobicContact CG-CB 4.43Å; P41-P128 HydrophobicContact CG-CG 4.4Å; P41-P128 WeakPolarHBondContact CG-O 3.31Å; P128-V131 HydrophobicContact CB-CG1 3.37Å; P128-V131 HydrophobicContact CG-CG1 3.85Å; P128-F190 HydrophobicContact CB-CZ 3.84Å; P128-F190 HydrophobicContact CG-CE1 4Å; P128-F190 HydrophobicContact CG-CZ 3.8Å
129S85.4Confident92.7Very high62 Ų6239.9 Ų39.943%0.43424%0.235SC..SBendtrans-80.1-50.7173.654.30000111.7
130H90.5Very high92.5Very high114 Ų11438 Ų3853%0.52821%0.213SC..SBendtrans-135.8138.5177.5-66.178.9000109.5L184H130-L184 HydrophobicContact CB-CB 4.32Å; H130-L184 HydrophobicContact CB-CD1 4.27Å; H130-L184 WeakPolarHBondContact O-CB 3.35Å; H130-L184 PolarHBondContact O-N 3.22Å
131V93.4Very high92.2Very high0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-133.2151.3180-55.10000110.6A38 G39 P41 P128 M133 V181 C182A38-V131 CarbonylContact C-O 3.59Å; A38-V131 VanDerWaalsContact CA-O 3.27Å; A38-V131 WeakPolarHBondContact CA-O 3.48Å; G39-V131 PolarHBondContact N-O 3.27Å; G39-V131 PolarHBondContact O-N 2.92Å; P41-V131 HydrophobicContact CB-CG1 4.11Å; P41-V131 HydrophobicContact CB-CG2 4.42Å; P128-V131 HydrophobicContact CB-CG1 3.37Å; P128-V131 HydrophobicContact CG-CG1 3.85Å; V131-M133 HydrophobicContact CG2-CB 4.18Å; V131-M133 HydrophobicContact CG2-CE 3.79Å; V131-V181 HydrophobicContact CB-CG1 3.75Å; V131-V181 HydrophobicContact CG1-CG1 3.62Å; V131-V181 HydrophobicContact CG2-CG1 4.05Å; V131-C182 WeakPolarHBondContact CA-O 3.35Å
132V94.9Very high91.9Very high0 Ų040.7 Ų40.70%024%0.239CC..EExtended strand (participates in β ladder)trans-90.5128.8154.9-177.50000106.7V36 S37 A38 L155 Y158 I159 L164 A166 C182 L184V36-V132 HydrophobicContact CG1-CG1 3.59Å; S37-V132 CarbonylContact O-C 3.26Å; S37-V132 WeakPolarHBondContact O-CA 3.32Å; A38-V132 HydrophobicContact CB-CG2 4.41Å; V132-L155 HydrophobicContact CG1-CD2 3.71Å; V132-Y158 HydrophobicContact CG1-CD1 3.82Å; V132-Y158 HydrophobicContact CG1-CE1 4.11Å; V132-Y158 HydrophobicContact CG2-CD1 4.45Å; V132-Y158 HydrophobicContact CG2-CE1 4.32Å; V132-I159 HydrophobicContact CG1-CG1 4.41Å; V132-I159 HydrophobicContact CG2-CG1 4.41Å; V132-L164 HydrophobicContact CG2-CD1 3.78Å; V132-A166 HydrophobicContact CG2-CB 4.38Å; V132-C182 HydrophobicContact CB-CB 4.44Å; V132-C182 PolarHBondContact N-O 3.29Å; V132-C182 PolarHBondContact O-N 3.32Å; V132-L184 HydrophobicContact CG2-CD1 3.93Å; V132-L184 HydrophobicContact CG2-CD2 3.83Å; V132-L184 HydrophobicContact CG2-CG 4.03Å
133M94.8Very high91.7Very high29 Ų2938.3 Ų38.314%0.14323%0.227CC..EExtended strand (participates in β ladder)trans-135.7158-179.872171.410600113V36 S37 S40 P42 V131 F180V36-M133 WeakPolarHBondContact CA-O 3.45Å; S37-M133 PolarHBondContact N-O 2.75Å; S37-M133 PolarHBondContact O-N 3Å; S40-M133 WeakPolarHBondContact O-CE 3.3Å; P42-M133 HydrophobicContact CB-SD 4.21Å; P42-M133 HydrophobicContact CG-CE 4.37Å; P42-M133 HydrophobicContact CG-SD 3.95Å; V131-M133 HydrophobicContact CG2-CB 4.18Å; V131-M133 HydrophobicContact CG2-CE 3.79Å; M133-F180 CarbonylContact C-O 3.51Å; M133-F180 WeakPolarHBondContact CA-O 3.38Å; M133-F180 WeakPolarHBondContact CB-O 3.48Å
134A95.6Very high91.5Very high3 Ų338.7 Ų38.73%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-145.1153.2167.500000108.7V34 V36 V151 L155 F180V34-A134 HydrophobicContact CG1-CB 4.34Å; V36-A134 HydrophobicContact CG2-CB 4.21Å; A134-V151 HydrophobicContact CB-CG1 3.55Å; A134-L155 HydrophobicContact CB-CD2 4.22Å; A134-L155 HydrophobicContact CB-CG 4.47Å; A134-F180 PolarHBondContact N-O 2.96Å; A134-F180 PolarHBondContact O-N 3.48Å
135T94.8Very high91.3Very high51 Ų5140.9 Ų40.931%0.31323%0.233SC..EExtended strand (participates in β ladder)trans-120.8147.3175.563.60000110.3I178 Y179T135-I178 WeakPolarHBondContact CA-O 3.38Å; T135-Y179 HydrophobicContact CG2-CD1 3.56Å; T135-Y179 HydrophobicContact CG2-CE1 3.76Å; T135-Y179 HydrophobicContact CG2-CG 4.35Å
136F95.3Very high91.3Very high0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-141.4145.7177-156.8-98.2000110.5G29 T32 V34 L146 A147 V151 R177 I178 F180G29-F136 WeakPolarHBondContact O-CZ 3.4Å; T32-F136 HydrophobicContact CG2-CD2 4.38Å; T32-F136 HydrophobicContact CG2-CE2 4.2Å; V34-F136 HydrophobicContact CG2-CD2 3.99Å; V34-F136 HydrophobicContact CG2-CE2 3.99Å; F136-L146 HydrophobicContact CE1-CB 3.93Å; F136-L146 HydrophobicContact CZ-CB 4.06Å; F136-A147 HydrophobicContact CB-CB 4.02Å; F136-A147 HydrophobicContact CD1-CB 3.51Å; F136-A147 HydrophobicContact CE1-CB 4.17Å; F136-A147 HydrophobicContact CG-CB 3.84Å; F136-V151 HydrophobicContact CB-CG2 3.96Å; F136-V151 HydrophobicContact CD2-CG2 3.8Å; F136-V151 HydrophobicContact CG-CG2 4.04Å; F136-R177 CarbonylContact O-C 3.41Å; F136-R177 WeakPolarHBondContact O-CA 3.43Å; F136-I178 PolarHBondContact N-O 2.7Å; F136-I178 PolarHBondContact O-N 2.88Å; F136-F180 HydrophobicContact CB-CE2 4.17Å
137P94Very high91.4Very high27 Ų2740.2 Ų40.218%0.17523%0.228CC..EExtended strand (participates in β ladder)trans-60.2143.7175.4-24.134.2000112.2T32 S143 D176T32-P137 HydrophobicContact CG2-CG 3.85Å; P137-S143 VanDerWaalsContact O-CB 3.3Å; P137-S143 WeakPolarHBondContact O-CB 3.45Å; P137-D176 CarbonylContact C-O 3.57Å
138F92.8Very high91.5Very high67 Ų6740.1 Ų40.129%0.29422%0.222SC..  trans-125.270.3175.2-175.2-130.7000109.8I144 Y173 D176 I178F138-I144 HydrophobicContact CD2-CG1 3.93Å; F138-I144 HydrophobicContact CE2-CD1 3.68Å; F138-I144 HydrophobicContact CE2-CG1 3.51Å; F138-I144 HydrophobicContact CZ-CD1 4.36Å; F138-Y173 HydrophobicContact CD1-CD1 4.34Å; F138-Y173 HydrophobicContact CD2-CD1 4.38Å; F138-Y173 HydrophobicContact CE1-CD1 4.28Å; F138-Y173 HydrophobicContact CE2-CD1 4.36Å; F138-Y173 HydrophobicContact CG-CD1 4.39Å; F138-Y173 HydrophobicContact CZ-CD1 4.29Å; F138-D176 PolarHBondContact N-O 3.24Å; F138-I178 HydrophobicContact CB-CD1 4.37Å; F138-I178 HydrophobicContact CB-CG1 3.66Å; F138-I178 HydrophobicContact CD2-CD1 4.12Å; F138-I178 HydrophobicContact CD2-CG1 4.21Å; F138-I178 HydrophobicContact CG-CD1 4.46Å; F138-I178 HydrophobicContact CG-CG1 4.04Å
139T89.4Confident91.7Very high49 Ų4943.7 Ų43.730%0.30124%0.24SC..SBendtrans-98.8-28.9-178.654.50000112.1Y27 S143Y27-T139 HydrophobicContact CE1-CG2 4.42Å; Y27-T139 PolarHBondContact O-OG1 2.82Å; T139-S143 PolarHBondContact N-OG 3.3Å; T139-S143 PolarHBondContact OG1-OG 3.31Å
140T89.4Confident92.1Very high13 Ų1345.3 Ų45.38%0.0824%0.237CC..SBendtrans-142.5165.7-179.278.40000111.3F24 Y27 S28 L142 S143F24-T140 HydrophobicContact CE2-CG2 3.7Å; F24-T140 HydrophobicContact CZ-CG2 3.79Å; Y27-T140 HydrophobicContact CD1-CG2 3.89Å; Y27-T140 HydrophobicContact CE1-CG2 3.97Å; S28-T140 WeakPolarHBondContact CB-OG1 3.4Å; S28-T140 WeakPolarHBondContact OG-CG2 3.45Å; S28-T140 PolarHBondContact OG-OG1 3.08Å; T140-L142 PolarHBondContact O-N 2.96Å; T140-L142 WeakPolarHBondContact OG1-CB 3.48Å; T140-L142 PolarHBondContact OG1-N 3.39Å; T140-S143 PolarHBondContact N-OG 2.83Å; T140-S143 WeakPolarHBondContact O-CB 3.43Å; T140-S143 PolarHBondContact O-N 2.83Å; T140-S143 PolarHBondContact O-OG 2.98Å; T140-S143 PolarHBondContact OG1-N 3.19Å
141P87.1Confident92.3Very high111 Ų11139.9 Ų39.972%0.72121%0.212SC*.Hα-helixtrans-58.1-30.2171.2-2635.7000113.5S143 I144P141-S143 PolarHBondContact O-N 2.87Å; P141-I144 WeakPolarHBondContact O-CB 3.28Å; P141-I144 PolarHBondContact O-N 2.99Å
142L89.2Confident92.2Very high62 Ų6241.2 Ų41.233%0.32522%0.218SC..Hα-helixtrans-64.9-30.3175.3-178.462.8000111.4F24 A25 T140 I144 H145 L146F24-L142 HydrophobicContact CD1-CD2 3.97Å; F24-L142 HydrophobicContact CE1-CB 4.02Å; F24-L142 HydrophobicContact CE1-CD2 3.84Å; A25-L142 HydrophobicContact CB-CD2 4.39Å; T140-L142 PolarHBondContact O-N 2.96Å; T140-L142 WeakPolarHBondContact OG1-CB 3.48Å; T140-L142 PolarHBondContact OG1-N 3.39Å; L142-I144 VanDerWaalsContact C-N 3.26Å; L142-I144 PolarHBondContact O-N 3.38Å; L142-H145 PolarHBondContact O-N 3.47Å; L142-L146 HydrophobicContact CG-CD1 4.29Å; L142-L146 HydrophobicContact CG-CG 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.39Å; L142-L146 PolarHBondContact O-N 2.84Å
143S91.4Very high92.1Very high0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-58.5-36.5174.6-55.40000112.5S28 P137 T139 T140 P141 H145 L146 A147S28-S143 WeakPolarHBondContact CA-OG 3.36Å; S28-S143 WeakPolarHBondContact O-CA 3.46Å; S28-S143 WeakPolarHBondContact O-CB 3.5Å; S28-S143 PolarHBondContact O-OG 3.33Å; P137-S143 VanDerWaalsContact O-CB 3.3Å; P137-S143 WeakPolarHBondContact O-CB 3.45Å; T139-S143 PolarHBondContact N-OG 3.3Å; T139-S143 PolarHBondContact OG1-OG 3.31Å; T140-S143 PolarHBondContact N-OG 2.83Å; T140-S143 WeakPolarHBondContact O-CB 3.43Å; T140-S143 PolarHBondContact O-N 2.83Å; T140-S143 PolarHBondContact O-OG 2.98Å; T140-S143 PolarHBondContact OG1-N 3.19Å; P141-S143 PolarHBondContact O-N 2.87Å; S143-H145 PolarHBondContact O-N 2.82Å; S143-L146 PolarHBondContact O-N 3Å; S143-A147 WeakPolarHBondContact O-CB 3.41Å; S143-A147 PolarHBondContact O-N 3.36Å
144I91.1Very high92.1Very high57 Ų5744.1 Ų44.129%0.29224%0.242SC..Hα-helixtrans-61.8-47.6177.2-53.9177.4000109.8F138 P141 L142 L146 A147 V148 Y173 I178F138-I144 HydrophobicContact CD2-CG1 3.93Å; F138-I144 HydrophobicContact CE2-CD1 3.68Å; F138-I144 HydrophobicContact CE2-CG1 3.51Å; F138-I144 HydrophobicContact CZ-CD1 4.36Å; P141-I144 WeakPolarHBondContact O-CB 3.28Å; P141-I144 PolarHBondContact O-N 2.99Å; L142-I144 VanDerWaalsContact C-N 3.26Å; L142-I144 PolarHBondContact O-N 3.38Å; I144-L146 PolarHBondContact O-N 3.12Å; I144-A147 PolarHBondContact O-N 3.15Å; I144-V148 HydrophobicContact CG2-CG2 4.44Å; I144-V148 WeakPolarHBondContact O-CG2 3.33Å; I144-V148 PolarHBondContact O-N 3.24Å; I144-Y173 HydrophobicContact CD1-CE1 4.43Å; I144-Y173 HydrophobicContact CG1-CE1 4.3Å; I144-I178 HydrophobicContact CG1-CD1 4.45Å
145H90.1Very high92.1Very high110 Ų11044 Ų4451%0.50924%0.241SC..Hα-helixtrans-63.5-42.7179.9-172.670.5000112L142 S143 A147 N149L142-H145 PolarHBondContact O-N 3.47Å; S143-H145 PolarHBondContact O-N 2.82Å; H145-A147 VanDerWaalsContact C-N 3.34Å; H145-N149 PolarHBondContact CD2-ND2 2.7Å; H145-N149 PolarHBondContact CE1-ND2 2.87Å; H145-N149 VanDerWaalsContact CE1-ND2 3.27Å; H145-N149 PolarHBondContact NE2-ND2 2.73Å; H145-N149 WeakPolarHBondContact O-CB 3.35Å; H145-N149 PolarHBondContact O-N 2.85Å; H145-N149 VanDerWaalsContact O-N 3.12Å; H145-N149 PolarHBondContact O-ND2 3.42Å
146L92.6Very high92Very high24 Ų2443.6 Ų43.613%0.12624%0.236CC..Hα-helixtrans-63-41.2174.9-70174.5000111.8L30 F136 L142 S143 I144 R150L30-L146 HydrophobicContact CB-CD1 4.48Å; L30-L146 HydrophobicContact CD1-CD2 4.19Å; F136-L146 HydrophobicContact CE1-CB 3.93Å; F136-L146 HydrophobicContact CZ-CB 4.06Å; L142-L146 HydrophobicContact CG-CD1 4.29Å; L142-L146 HydrophobicContact CG-CG 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.39Å; L142-L146 PolarHBondContact O-N 2.84Å; S143-L146 PolarHBondContact O-N 3Å; I144-L146 PolarHBondContact O-N 3.12Å; L146-R150 VanDerWaalsContact O-CB 3.29Å; L146-R150 WeakPolarHBondContact O-CB 3.11Å; L146-R150 WeakPolarHBondContact O-CG 3.45Å; L146-R150 PolarHBondContact O-N 3.44Å
147A92.9Very high91.9Very high0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-63.6-51.3179.400000111F136 S143 I144 H145 N149 R150 V151 I178 F180F136-A147 HydrophobicContact CB-CB 4.02Å; F136-A147 HydrophobicContact CD1-CB 3.51Å; F136-A147 HydrophobicContact CE1-CB 4.17Å; F136-A147 HydrophobicContact CG-CB 3.84Å; S143-A147 WeakPolarHBondContact O-CB 3.41Å; S143-A147 PolarHBondContact O-N 3.36Å; I144-A147 PolarHBondContact O-N 3.15Å; H145-A147 VanDerWaalsContact C-N 3.34Å; A147-N149 VanDerWaalsContact C-N 3.33Å; A147-N149 PolarHBondContact O-N 2.82Å; A147-R150 PolarHBondContact O-N 3.37Å; A147-V151 HydrophobicContact CB-CG2 4.34Å; A147-V151 WeakPolarHBondContact O-CA 3.41Å; A147-V151 WeakPolarHBondContact O-CB 3.15Å; A147-V151 VanDerWaalsContact O-CG2 3.24Å; A147-V151 WeakPolarHBondContact O-CG2 3.36Å; A147-V151 PolarHBondContact O-N 3.31Å; A147-I178 HydrophobicContact CB-CD1 3.85Å; A147-F180 HydrophobicContact CB-CE2 3.85Å; A147-F180 HydrophobicContact CB-CZ 3.62Å
148V90.3Very high92Very high52 Ų5246.4 Ų46.432%0.31525%0.249SC..Hα-helixtrans-57.7-46.4178.5171.20000110.8I144 R150 H152I144-V148 HydrophobicContact CG2-CG2 4.44Å; I144-V148 WeakPolarHBondContact O-CG2 3.33Å; I144-V148 PolarHBondContact O-N 3.24Å; V148-R150 PolarHBondContact O-N 3.04Å; V148-H152 WeakPolarHBondContact O-CB 3.44Å; V148-H152 PolarHBondContact O-CD2 3.34Å; V148-H152 PolarHBondContact O-N 2.87Å
149N90.8Very high92Very high87 Ų8744.2 Ų44.247%0.46524%0.24SC..Hα-helixtrans-73.7-22.5-176.3-71.2-14.1000114.6H145 A147 P153H145-N149 PolarHBondContact CD2-ND2 2.7Å; H145-N149 PolarHBondContact CE1-ND2 2.87Å; H145-N149 VanDerWaalsContact CE1-ND2 3.27Å; H145-N149 PolarHBondContact NE2-ND2 2.73Å; H145-N149 WeakPolarHBondContact O-CB 3.35Å; H145-N149 PolarHBondContact O-N 2.85Å; H145-N149 VanDerWaalsContact O-N 3.12Å; H145-N149 PolarHBondContact O-ND2 3.42Å; A147-N149 VanDerWaalsContact C-N 3.33Å; A147-N149 PolarHBondContact O-N 2.82Å; N149-P153 WeakPolarHBondContact O-CD 3.32Å; N149-P153 VanDerWaalsContact O-CG 3.28Å; N149-P153 WeakPolarHBondContact O-CG 3.44Å
150R93.8Very high92.2Very high96 Ų9650 Ų5036%0.36226%0.257SS..Hα-helixtrans-107.7-41-176.5-65.1177.265.3137.2-11.4112.8L30 T32 V34 L146 A147 V148 A154L30-R150 PolarHBondContact O-NH1 3.38Å; T32-R150 PolarHBondContact O-NH2 3.31Å; V34-R150 HydrophobicContact CG2-CB 4.03Å; L146-R150 VanDerWaalsContact O-CB 3.29Å; L146-R150 WeakPolarHBondContact O-CB 3.11Å; L146-R150 WeakPolarHBondContact O-CG 3.45Å; L146-R150 PolarHBondContact O-N 3.44Å; A147-R150 PolarHBondContact O-N 3.37Å; V148-R150 PolarHBondContact O-N 3.04Å; R150-A154 WeakPolarHBondContact O-CB 3.35Å; R150-A154 PolarHBondContact O-N 2.96Å
151V94.6Very high92.5Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-76-42.7-175.4-174.70000111.1V34 A134 F136 A147 A154 L155 F180V34-V151 HydrophobicContact CG1-CB 4.32Å; V34-V151 HydrophobicContact CG1-CG1 4.23Å; V34-V151 HydrophobicContact CG1-CG2 4.01Å; V34-V151 HydrophobicContact CG2-CG2 3.94Å; A134-V151 HydrophobicContact CB-CG1 3.55Å; F136-V151 HydrophobicContact CB-CG2 3.96Å; F136-V151 HydrophobicContact CD2-CG2 3.8Å; F136-V151 HydrophobicContact CG-CG2 4.04Å; A147-V151 HydrophobicContact CB-CG2 4.34Å; A147-V151 WeakPolarHBondContact O-CA 3.41Å; A147-V151 WeakPolarHBondContact O-CB 3.15Å; A147-V151 VanDerWaalsContact O-CG2 3.24Å; A147-V151 WeakPolarHBondContact O-CG2 3.36Å; A147-V151 PolarHBondContact O-N 3.31Å; V151-A154 PolarHBondContact O-N 3.36Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.15Å; V151-L155 WeakPolarHBondContact O-CB 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.47Å; V151-L155 PolarHBondContact O-N 3.41Å; V151-F180 HydrophobicContact CB-CD2 4.14Å; V151-F180 HydrophobicContact CB-CE2 4.07Å; V151-F180 HydrophobicContact CB-CG 4.39Å; V151-F180 HydrophobicContact CB-CZ 4.28Å; V151-F180 HydrophobicContact CG1-CB 4Å; V151-F180 HydrophobicContact CG1-CD1 4.13Å; V151-F180 HydrophobicContact CG1-CD2 3.56Å; V151-F180 HydrophobicContact CG1-CE2 4.02Å; V151-F180 HydrophobicContact CG1-CG 3.62Å; V151-F180 HydrophobicContact CG1-CZ 4.5Å; V151-F180 HydrophobicContact CG2-CD2 4.26Å; V151-F180 HydrophobicContact CG2-CE2 3.98Å; V151-F180 HydrophobicContact CG2-CZ 4.47Å
152H92.1Very high92.9Very high27 Ų2758 Ų5813%0.12528%0.277CS..Hα-helixtrans-62.2-49.2178.2-67-50.3000112.9V148 A154 L155 D156 R169 E171 F180V148-H152 WeakPolarHBondContact O-CB 3.44Å; V148-H152 PolarHBondContact O-CD2 3.34Å; V148-H152 PolarHBondContact O-N 2.87Å; H152-A154 VanDerWaalsContact C-N 3.27Å; H152-A154 PolarHBondContact O-N 2.72Å; H152-L155 WeakPolarHBondContact O-CB 3.42Å; H152-L155 PolarHBondContact O-N 3.13Å; H152-D156 WeakPolarHBondContact O-CB 3.39Å; H152-D156 PolarHBondContact O-N 2.96Å; H152-R169 PolarHBondContact ND1-NH1 3.01Å; H152-E171 IonicContact CE1-OE1 3.1Å; H152-E171 PolarHBondContact CE1-OE1 3.5Å; H152-E171 IonicContact NE2-OE1 3.34Å; H152-E171 PolarHBondContact NE2-OE1 3.33Å; H152-F180 AromaticContact CE1-CD1 3.82Å; H152-F180 AromaticContact CE1-CE1 3.74Å
153P93.2Very high93.1Very high61 Ų6164.1 Ų64.140%0.39630%0.301SS..Hα-helixtrans-61.4-34.3176.8-2738.3000113.7N149 T157N149-P153 WeakPolarHBondContact O-CD 3.32Å; N149-P153 VanDerWaalsContact O-CG 3.28Å; N149-P153 WeakPolarHBondContact O-CG 3.44Å; P153-T157 WeakPolarHBondContact O-CB 3.08Å; P153-T157 PolarHBondContact O-N 2.97Å; P153-T157 PolarHBondContact O-OG1 3.43Å
154A94.7Very high93.1Very high30 Ų3066.7 Ų66.725%0.24831%0.314CS..Hα-helixtrans-66.7-45175.300000111.6V34 V36 R150 V151 H152 T157 Y158V34-A154 HydrophobicContact CB-CB 4.46Å; V34-A154 HydrophobicContact CG1-CB 3.79Å; V36-A154 HydrophobicContact CG2-CB 3.84Å; R150-A154 WeakPolarHBondContact O-CB 3.35Å; R150-A154 PolarHBondContact O-N 2.96Å; V151-A154 PolarHBondContact O-N 3.36Å; H152-A154 VanDerWaalsContact C-N 3.27Å; H152-A154 PolarHBondContact O-N 2.72Å; A154-T157 PolarHBondContact O-N 3.33Å; A154-Y158 WeakPolarHBondContact O-CB 3.35Å; A154-Y158 PolarHBondContact O-N 3Å
155L94Very high93Very high1 Ų168.2 Ų68.21%0.00533%0.329CS..Hα-helixtrans-59.9-47.8173.4-74.6168.4000111.1V36 V132 A134 V151 H152 T157 Y158 I159 F180V36-L155 HydrophobicContact CG1-CD2 3.78Å; V36-L155 HydrophobicContact CG2-CD2 4.33Å; V132-L155 HydrophobicContact CG1-CD2 3.71Å; A134-L155 HydrophobicContact CB-CD2 4.22Å; A134-L155 HydrophobicContact CB-CG 4.47Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.15Å; V151-L155 WeakPolarHBondContact O-CB 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.47Å; V151-L155 PolarHBondContact O-N 3.41Å; H152-L155 WeakPolarHBondContact O-CB 3.42Å; H152-L155 PolarHBondContact O-N 3.13Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 3.08Å; L155-Y158 PolarHBondContact O-N 3.04Å; L155-I159 HydrophobicContact CB-CD1 4.42Å; L155-I159 WeakPolarHBondContact O-CB 3.38Å; L155-I159 WeakPolarHBondContact O-CD1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-I159 PolarHBondContact O-N 3.29Å; L155-F180 HydrophobicContact CD1-CB 3.83Å; L155-F180 HydrophobicContact CD1-CG 4.46Å
156D92.9Very high93Very high41 Ų4163.8 Ų63.822%0.21931%0.311CS..Hα-helixtrans-56.7-44.8177.8-84.3-56.4000112.1H152 R160 R169H152-D156 WeakPolarHBondContact O-CB 3.39Å; H152-D156 PolarHBondContact O-N 2.96Å; D156-R160 WeakPolarHBondContact O-CB 3.36Å; D156-R160 PolarHBondContact O-N 2.75Å; D156-R169 IonicContact OD1-CZ 3.11Å; D156-R169 IonicContact OD1-NH1 3.24Å; D156-R169 IonicContact OD1-NH2 2.94Å; D156-R169 PolarHBondContact OD1-NH2 3.31Å; D156-R169 IonicContact OD2-CZ 2.86Å; D156-R169 IonicContact OD2-NH1 2.72Å; D156-R169 PolarHBondContact OD2-NH1 3.47Å; D156-R169 IonicContact OD2-NH2 3.47Å; D156-R169 PolarHBondContact OD2-NH2 3.38Å; D156-R169 VanDerWaalsContact OD2-NH2 3.11Å
157T94.4Very high92.9Very high50 Ų5066.1 Ų66.131%0.30732%0.322SS..Hα-helixtrans-64.1-48.6178-59.60000111P153 A154 L155 I159 R160 E161P153-T157 WeakPolarHBondContact O-CB 3.08Å; P153-T157 PolarHBondContact O-N 2.97Å; P153-T157 PolarHBondContact O-OG1 3.43Å; A154-T157 PolarHBondContact O-N 3.33Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 3.08Å; T157-I159 PolarHBondContact O-N 3.31Å; T157-R160 PolarHBondContact O-N 2.87Å; T157-E161 HydrophobicContact CG2-CG 4.34Å; T157-E161 WeakPolarHBondContact CG2-OE1 3.32Å; T157-E161 WeakPolarHBondContact O-CB 3.48Å; T157-E161 WeakPolarHBondContact O-CG 2.92Å; T157-E161 PolarHBondContact O-N 3.44Å
158Y95.1Very high93Very high37 Ų3766.2 Ų66.215%0.14532%0.322CS..Hα-helixtrans-61-45.9179.3-173.7-85.1000112.7V36 A38 V132 A154 L155 R162 L164V36-Y158 HydrophobicContact CB-CD2 4.04Å; V36-Y158 HydrophobicContact CB-CG 4.18Å; V36-Y158 HydrophobicContact CG1-CD1 3.84Å; V36-Y158 HydrophobicContact CG1-CD2 3.8Å; V36-Y158 HydrophobicContact CG1-CE1 4.4Å; V36-Y158 HydrophobicContact CG1-CE2 4.35Å; V36-Y158 HydrophobicContact CG1-CG 3.51Å; A38-Y158 HydrophobicContact CB-CE1 4.17Å; A38-Y158 PolarHBondContact N-OH 3.42Å; V132-Y158 HydrophobicContact CG1-CD1 3.82Å; V132-Y158 HydrophobicContact CG1-CE1 4.11Å; V132-Y158 HydrophobicContact CG2-CD1 4.45Å; V132-Y158 HydrophobicContact CG2-CE1 4.32Å; A154-Y158 WeakPolarHBondContact O-CB 3.35Å; A154-Y158 PolarHBondContact O-N 3Å; L155-Y158 PolarHBondContact O-N 3.04Å; Y158-R162 VanDerWaalsContact CE1-CD 3.43Å; Y158-R162 VanDerWaalsContact CE2-NE 3.27Å; Y158-R162 VanDerWaalsContact CZ-CD 3.4Å; Y158-R162 WeakPolarHBondContact O-CB 3.29Å; Y158-R162 PolarHBondContact O-N 3.27Å; Y158-R162 PolarHBondContact OH-NE 2.94Å; Y158-L164 HydrophobicContact CD1-CD1 4.33Å; Y158-L164 HydrophobicContact CE1-CD1 4.03Å
159I93.5Very high93.2Very high21 Ų2165.7 Ų65.711%0.10831%0.314CS..Hα-helixtrans-61.9-45.8178.8-70.1162.9000110V132 L155 T157 K163 L164 A166V132-I159 HydrophobicContact CG1-CG1 4.41Å; V132-I159 HydrophobicContact CG2-CG1 4.41Å; L155-I159 HydrophobicContact CB-CD1 4.42Å; L155-I159 WeakPolarHBondContact O-CB 3.38Å; L155-I159 WeakPolarHBondContact O-CD1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-I159 PolarHBondContact O-N 3.29Å; T157-I159 PolarHBondContact O-N 3.31Å; I159-K163 PolarHBondContact O-N 3.23Å; I159-L164 HydrophobicContact CG2-CB 4.23Å; I159-L164 WeakPolarHBondContact CG2-O 3.24Å; I159-L164 PolarHBondContact O-N 2.81Å; I159-A166 HydrophobicContact CD1-CB 3.78Å; I159-A166 HydrophobicContact CG1-CB 4.02Å; I159-A166 HydrophobicContact CG2-CB 4.48Å
160R93.6Very high93.3Very high170 Ų17061.9 Ų61.964%0.64229%0.294SS*.Hα-helixtrans-65.4-47.7-179.8-178.6178.360.8-145.5-7.1112.5D156 T157 R162 K163D156-R160 WeakPolarHBondContact O-CB 3.36Å; D156-R160 PolarHBondContact O-N 2.75Å; T157-R160 PolarHBondContact O-N 2.87Å; R160-R162 VanDerWaalsContact C-N 3.27Å; R160-R162 PolarHBondContact O-N 3.42Å; R160-K163 PolarHBondContact O-N 2.95Å; R160-K163 VanDerWaalsContact O-N 3.17Å
161E96.1Very high93.4Very high140 Ų14057.5 Ų57.565%0.65428%0.278SS*.Hα-helixtrans-62-36.2-178.5-75.8177.3178.600112.4T157T157-E161 HydrophobicContact CG2-CG 4.34Å; T157-E161 WeakPolarHBondContact CG2-OE1 3.32Å; T157-E161 WeakPolarHBondContact O-CB 3.48Å; T157-E161 WeakPolarHBondContact O-CG 2.92Å; T157-E161 PolarHBondContact O-N 3.44Å
162R94Very high93.4Very high153 Ų15357.5 Ų57.558%0.57728%0.278SS*.THydrogen-bonded Turntrans-93.12.8179.5-66.2175.4-179.6-100.80.4113.7Y158 R160 L164Y158-R162 VanDerWaalsContact CE1-CD 3.43Å; Y158-R162 VanDerWaalsContact CE2-NE 3.27Å; Y158-R162 VanDerWaalsContact CZ-CD 3.4Å; Y158-R162 WeakPolarHBondContact O-CB 3.29Å; Y158-R162 PolarHBondContact O-N 3.27Å; Y158-R162 PolarHBondContact OH-NE 2.94Å; R160-R162 VanDerWaalsContact C-N 3.27Å; R160-R162 PolarHBondContact O-N 3.42Å; R162-L164 HydrophobicContact CB-CD1 3.91Å; R162-L164 HydrophobicContact CB-CD2 4.37Å; R162-L164 HydrophobicContact CB-CG 3.72Å; R162-L164 PolarHBondContact O-N 3.44Å
163K93.1Very high93.5Very high189 Ų18957 Ų5782%0.82228%0.275SS*.THydrogen-bonded Turntrans51.242.7-179.2-56.3179.6-178.6178.40112.7I159 R160I159-K163 PolarHBondContact O-N 3.23Å; R160-K163 PolarHBondContact O-N 2.95Å; R160-K163 VanDerWaalsContact O-N 3.17Å
164L91.6Very high93.3Very high54 Ų5457 Ų5728%0.28327%0.269SS..  trans-87151.2-179.2-60.5175.3000110.9V132 Y158 I159 R162 L184V132-L164 HydrophobicContact CG2-CD1 3.78Å; Y158-L164 HydrophobicContact CD1-CD1 4.33Å; Y158-L164 HydrophobicContact CE1-CD1 4.03Å; I159-L164 HydrophobicContact CG2-CB 4.23Å; I159-L164 WeakPolarHBondContact CG2-O 3.24Å; I159-L164 PolarHBondContact O-N 2.81Å; R162-L164 HydrophobicContact CB-CD1 3.91Å; R162-L164 HydrophobicContact CB-CD2 4.37Å; R162-L164 HydrophobicContact CB-CG 3.72Å; R162-L164 PolarHBondContact O-N 3.44Å; L164-L184 HydrophobicContact CB-CD2 3.84Å; L164-L184 HydrophobicContact CD1-CD2 4.22Å; L164-L184 HydrophobicContact CD2-CD2 4.46Å; L164-L184 HydrophobicContact CG-CD2 4.39Å
165C89.9Confident93Very high90 Ų9063.4 Ų63.461%0.60829%0.294SS*.  trans-105.390.2170.7-660000109.2Q187C165-Q187 PolarHBondContact O-NE2 3.38Å
166A90.6Very high92.9Very high16 Ų1667.2 Ų67.213%0.13231%0.314CS..  trans-113.4109.5-176.200000111.3V132 I159 C182 P183 L184V132-A166 HydrophobicContact CG2-CB 4.38Å; I159-A166 HydrophobicContact CD1-CB 3.78Å; I159-A166 HydrophobicContact CG1-CB 4.02Å; I159-A166 HydrophobicContact CG2-CB 4.48Å; A166-C182 HydrophobicContact CB-CB 3.64Å; A166-P183 WeakPolarHBondContact CA-O 3.46Å; A166-L184 HydrophobicContact CB-CD2 3.68Å
167H90.6Very high92.9Very high73 Ų7370.3 Ų70.334%0.33832%0.323SS..  trans-159.9159.6176.862.197.9000110.9P183 Q187 Y191H167-P183 PolarHBondContact N-O 2.96Å; H167-Q187 WeakPolarHBondContact CE1-CB 3.1Å; H167-Q187 WeakPolarHBondContact O-CB 3.47Å; H167-Q187 WeakPolarHBondContact O-CG 3.49Å; H167-Y191 AromaticContact ND1-CE1 3.96Å; H167-Y191 AromaticContact ND1-CZ 3.86Å; H167-Y191 PolarHBondContact ND1-OH 2.91Å
168P93.7Very high92.9Very high2 Ų268 Ų681%0.01331%0.308CS..SBendcis-71.9174.8-13.932.3-29.1000111.5V79 Y81 L170 P183 F190 Y191V79-P168 HydrophobicContact CG1-CB 4.09Å; V79-P168 HydrophobicContact CG1-CG 3.94Å; Y81-P168 HydrophobicContact CD1-CB 3.72Å; Y81-P168 HydrophobicContact CD1-CG 4.23Å; Y81-P168 HydrophobicContact CE1-CB 4.03Å; Y81-P168 HydrophobicContact CE1-CG 4.07Å; P168-L170 HydrophobicContact CG-CD1 3.98Å; P168-L170 WeakPolarHBondContact O-CD1 3.39Å; P168-P183 WeakPolarHBondContact O-CD 3.3Å; P168-F190 HydrophobicContact CG-CB 3.71Å; P168-Y191 HydrophobicContact CB-CE1 4.39Å; P168-Y191 HydrophobicContact CG-CD1 4.27Å; P168-Y191 HydrophobicContact CG-CE1 4.07Å
169R94Very high92.9Very high41 Ų4169 Ų6916%0.15531%0.312CS..EExtended strand (participates in β ladder)trans-88.4123.2174.6-62.8-170.9-176.7-164.2-3.1109.9V79 Y80 H152 D156V79-R169 WeakPolarHBondContact CA-O 3.42Å; Y80-R169 PolarHBondContact N-O 3.43Å; Y80-R169 PolarHBondContact O-N 2.83Å; H152-R169 PolarHBondContact ND1-NH1 3.01Å; D156-R169 IonicContact OD1-CZ 3.11Å; D156-R169 IonicContact OD1-NH1 3.24Å; D156-R169 IonicContact OD1-NH2 2.94Å; D156-R169 PolarHBondContact OD1-NH2 3.31Å; D156-R169 IonicContact OD2-CZ 2.86Å; D156-R169 IonicContact OD2-NH1 2.72Å; D156-R169 PolarHBondContact OD2-NH1 3.47Å; D156-R169 IonicContact OD2-NH2 3.47Å; D156-R169 PolarHBondContact OD2-NH2 3.38Å; D156-R169 VanDerWaalsContact OD2-NH2 3.11Å
170L94.8Very high93Very high7 Ų768 Ų684%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-107.1135.3175.1-68.574.1000109.4I77 G78 V79 F125 P168 F180 V181 P183 F190I77-L170 HydrophobicContact CD1-CD2 4.41Å; G78-L170 CarbonylContact O-C 3.58Å; G78-L170 WeakPolarHBondContact O-CA 3.21Å; V79-L170 HydrophobicContact CG1-CG 4.42Å; V79-L170 HydrophobicContact CG2-CG 4.42Å; F125-L170 HydrophobicContact CD2-CD2 4.21Å; F125-L170 HydrophobicContact CE2-CD2 4.33Å; P168-L170 HydrophobicContact CG-CD1 3.98Å; P168-L170 WeakPolarHBondContact O-CD1 3.39Å; L170-F180 CarbonylContact O-C 3.6Å; L170-F180 WeakPolarHBondContact O-CA 3.35Å; L170-V181 HydrophobicContact CB-CB 4.31Å; L170-V181 WeakPolarHBondContact CB-O 3.35Å; L170-V181 PolarHBondContact N-O 2.76Å; L170-V181 PolarHBondContact O-N 2.79Å; L170-P183 HydrophobicContact CD1-CG 4.1Å; L170-F190 HydrophobicContact CD2-CD1 4.3Å
171E95.4Very high93.1Very high4 Ų460 Ų602%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-118.3111.8171.9-65.9179.3-179.800108.6I77 G78 Y80 H152 Y173 Y179 F180I77-E171 CarbonylContact C-O 3.56Å; I77-E171 VanDerWaalsContact CA-O 3.29Å; I77-E171 WeakPolarHBondContact CA-O 3.48Å; G78-E171 PolarHBondContact N-O 3.14Å; G78-E171 PolarHBondContact O-N 3.19Å; Y80-E171 HydrophobicContact CD2-CG 4.25Å; Y80-E171 HydrophobicContact CE2-CB 4.19Å; Y80-E171 HydrophobicContact CE2-CG 3.73Å; Y80-E171 VanDerWaalsContact CE2-OE2 3.24Å; Y80-E171 WeakPolarHBondContact CE2-OE2 3.45Å; Y80-E171 PolarHBondContact OH-OE2 3.42Å; H152-E171 IonicContact CE1-OE1 3.1Å; H152-E171 PolarHBondContact CE1-OE1 3.5Å; H152-E171 IonicContact NE2-OE1 3.34Å; H152-E171 PolarHBondContact NE2-OE1 3.33Å; E171-Y173 HydrophobicContact CB-CE2 3.7Å; E171-Y173 PolarHBondContact OE2-OH 3.01Å; E171-Y179 WeakPolarHBondContact CA-O 3.34Å; E171-F180 HydrophobicContact CG-CD1 3.75Å; E171-F180 HydrophobicContact CG-CE1 3.68Å; E171-F180 WeakPolarHBondContact OE1-CE1 3.49Å
172I94.6Very high93Very high1 Ų153.4 Ų53.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-109.3117.7-179.9-56.6171.5000108.1V43 I77 I99 K174 I178 Y179V43-I172 HydrophobicContact CB-CD1 4.49Å; V43-I172 HydrophobicContact CG1-CD1 4Å; V43-I172 HydrophobicContact CG2-CD1 3.85Å; I77-I172 HydrophobicContact CD1-CD1 4.44Å; I77-I172 HydrophobicContact CD1-CG1 3.97Å; I77-I172 HydrophobicContact CG1-CG1 4.07Å; I99-I172 HydrophobicContact CD1-CG2 3.72Å; I172-K174 HydrophobicContact CG2-CB 4.48Å; I172-I178 WeakPolarHBondContact O-CA 3.47Å; I172-Y179 PolarHBondContact N-O 3.39Å; I172-Y179 PolarHBondContact O-N 3.15Å
173Y93.1Very high93Very high17 Ų1746.1 Ų46.17%0.06722%0.219CC..EExtended strand (participates in β ladder)trans-97.2102.7179.8-59.8-102.8000107.9F64 C75 S76 F138 I144 E171 I178F64-Y173 HydrophobicContact CE1-CD2 4.06Å; F64-Y173 AromaticContact CE1-CE2 3.91Å; F64-Y173 HydrophobicContact CE1-CE2 3.91Å; F64-Y173 HydrophobicContact CZ-CD2 4.26Å; F64-Y173 AromaticContact CZ-CE2 3.64Å; F64-Y173 HydrophobicContact CZ-CE2 3.64Å; C75-Y173 WeakPolarHBondContact CB-O 3.48Å; S76-Y173 PolarHBondContact N-O 2.85Å; S76-Y173 PolarHBondContact O-N 3.22Å; F138-Y173 HydrophobicContact CD1-CD1 4.34Å; F138-Y173 HydrophobicContact CD2-CD1 4.38Å; F138-Y173 HydrophobicContact CE1-CD1 4.28Å; F138-Y173 HydrophobicContact CE2-CD1 4.36Å; F138-Y173 HydrophobicContact CG-CD1 4.39Å; F138-Y173 HydrophobicContact CZ-CD1 4.29Å; I144-Y173 HydrophobicContact CD1-CE1 4.43Å; I144-Y173 HydrophobicContact CG1-CE1 4.3Å; E171-Y173 HydrophobicContact CB-CE2 3.7Å; E171-Y173 PolarHBondContact OE2-OH 3.01Å; Y173-I178 HydrophobicContact CD1-CD1 4.1Å; Y173-I178 HydrophobicContact CD1-CG1 3.93Å; Y173-I178 HydrophobicContact CD1-CG2 4.17Å; Y173-I178 HydrophobicContact CE1-CD1 3.66Å; Y173-I178 HydrophobicContact CE1-CG1 3.98Å; Y173-I178 HydrophobicContact CE1-CG2 3.98Å
174K90.6Very high93Very high61 Ų6139.1 Ų39.127%0.26519%0.19SC..EExtended strand (participates in β ladder)trans-128.1117.6-175.7-177.7169.2-174.3172.90108.5E102 I172 D176 R177 Y179E102-K174 IonicContact OE2-NZ 3.39Å; E102-K174 PolarHBondContact OE2-NZ 3.22Å; E102-K174 VanDerWaalsContact OE2-NZ 3.1Å; I172-K174 HydrophobicContact CG2-CB 4.48Å; K174-D176 PolarHBondContact O-N 3.1Å; K174-R177 PolarHBondContact N-O 2.99Å; K174-R177 PolarHBondContact O-N 3.42Å; K174-R177 VanDerWaalsContact O-N 3.11Å; K174-Y179 HydrophobicContact CB-CD2 4.25Å; K174-Y179 HydrophobicContact CB-CE2 4Å
175E88.5Confident92.9Very high164 Ų16438.2 Ų38.277%0.76619%0.191SC*.THydrogen-bonded Turntrans56.3-120.5-179-58.9171.4-173.600111.9
176D90.7Very high92.9Very high81 Ų8141.5 Ų41.543%0.43319%0.19SC..THydrogen-bonded Turntrans-9819.1-178.572-27.7000112.6P137 F138 K174P137-D176 CarbonylContact C-O 3.57Å; F138-D176 PolarHBondContact N-O 3.24Å; K174-D176 PolarHBondContact O-N 3.1Å
177R93.5Very high92.9Very high106 Ų10642.5 Ų42.540%0.419%0.192SC..EExtended strand (participates in β ladder)trans-138.4150.3-177.1-68.9173.9-174.5-97.5-3.2113.5F136 K174 Y179F136-R177 CarbonylContact O-C 3.41Å; F136-R177 WeakPolarHBondContact O-CA 3.43Å; K174-R177 PolarHBondContact N-O 2.99Å; K174-R177 PolarHBondContact O-N 3.42Å; K174-R177 VanDerWaalsContact O-N 3.11Å; R177-Y179 HydrophobicContact CB-CD2 4.46Å; R177-Y179 HydrophobicContact CB-CE2 3.85Å
178I95.1Very high92.7Very high0 Ų040.8 Ų40.80%019%0.194CC..EExtended strand (participates in β ladder)trans-106.2125.7167.2-40.7-178.4000107.7T135 F136 F138 I144 A147 I172 Y173 F180T135-I178 WeakPolarHBondContact CA-O 3.38Å; F136-I178 PolarHBondContact N-O 2.7Å; F136-I178 PolarHBondContact O-N 2.88Å; F138-I178 HydrophobicContact CB-CD1 4.37Å; F138-I178 HydrophobicContact CB-CG1 3.66Å; F138-I178 HydrophobicContact CD2-CD1 4.12Å; F138-I178 HydrophobicContact CD2-CG1 4.21Å; F138-I178 HydrophobicContact CG-CD1 4.46Å; F138-I178 HydrophobicContact CG-CG1 4.04Å; I144-I178 HydrophobicContact CG1-CD1 4.45Å; A147-I178 HydrophobicContact CB-CD1 3.85Å; I172-I178 WeakPolarHBondContact O-CA 3.47Å; Y173-I178 HydrophobicContact CD1-CD1 4.1Å; Y173-I178 HydrophobicContact CD1-CG1 3.93Å; Y173-I178 HydrophobicContact CD1-CG2 4.17Å; Y173-I178 HydrophobicContact CE1-CD1 3.66Å; Y173-I178 HydrophobicContact CE1-CG1 3.98Å; Y173-I178 HydrophobicContact CE1-CG2 3.98Å; I178-F180 HydrophobicContact CB-CD2 4.37Å; I178-F180 HydrophobicContact CB-CE2 3.73Å; I178-F180 HydrophobicContact CB-CZ 4.32Å; I178-F180 HydrophobicContact CG2-CD2 4.03Å; I178-F180 HydrophobicContact CG2-CE1 4.46Å; I178-F180 HydrophobicContact CG2-CE2 3.48Å; I178-F180 VanDerWaalsContact CG2-CE2 3.48Å; I178-F180 HydrophobicContact CG2-CZ 3.72Å
179Y95Very high92.6Very high58 Ų5842.9 Ų42.923%0.22721%0.206CC..EExtended strand (participates in β ladder)trans-101.9115.3172.5-62.8-99.8000108.3P42 T135 E171 I172 K174 R177P42-Y179 HydrophobicContact CB-CD1 4.24Å; P42-Y179 HydrophobicContact CG-CD1 4.32Å; T135-Y179 HydrophobicContact CG2-CD1 3.56Å; T135-Y179 HydrophobicContact CG2-CE1 3.76Å; T135-Y179 HydrophobicContact CG2-CG 4.35Å; E171-Y179 WeakPolarHBondContact CA-O 3.34Å; I172-Y179 PolarHBondContact N-O 3.39Å; I172-Y179 PolarHBondContact O-N 3.15Å; K174-Y179 HydrophobicContact CB-CD2 4.25Å; K174-Y179 HydrophobicContact CB-CE2 4Å; R177-Y179 HydrophobicContact CB-CD2 4.46Å; R177-Y179 HydrophobicContact CB-CE2 3.85Å
180F95.4Very high92.5Very high2 Ų241.2 Ų41.21%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-94.3120.3171.9-64.6-97.8000107.8M133 A134 F136 A147 V151 H152 L155 L170 E171 I178M133-F180 CarbonylContact C-O 3.51Å; M133-F180 WeakPolarHBondContact CA-O 3.38Å; M133-F180 WeakPolarHBondContact CB-O 3.48Å; A134-F180 PolarHBondContact N-O 2.96Å; A134-F180 PolarHBondContact O-N 3.48Å; F136-F180 HydrophobicContact CB-CE2 4.17Å; A147-F180 HydrophobicContact CB-CE2 3.85Å; A147-F180 HydrophobicContact CB-CZ 3.62Å; V151-F180 HydrophobicContact CB-CD2 4.14Å; V151-F180 HydrophobicContact CB-CE2 4.07Å; V151-F180 HydrophobicContact CB-CG 4.39Å; V151-F180 HydrophobicContact CB-CZ 4.28Å; V151-F180 HydrophobicContact CG1-CB 4Å; V151-F180 HydrophobicContact CG1-CD1 4.13Å; V151-F180 HydrophobicContact CG1-CD2 3.56Å; V151-F180 HydrophobicContact CG1-CE2 4.02Å; V151-F180 HydrophobicContact CG1-CG 3.62Å; V151-F180 HydrophobicContact CG1-CZ 4.5Å; V151-F180 HydrophobicContact CG2-CD2 4.26Å; V151-F180 HydrophobicContact CG2-CE2 3.98Å; V151-F180 HydrophobicContact CG2-CZ 4.47Å; H152-F180 AromaticContact CE1-CD1 3.82Å; H152-F180 AromaticContact CE1-CE1 3.74Å; L155-F180 HydrophobicContact CD1-CB 3.83Å; L155-F180 HydrophobicContact CD1-CG 4.46Å; L170-F180 CarbonylContact O-C 3.6Å; L170-F180 WeakPolarHBondContact O-CA 3.35Å; E171-F180 HydrophobicContact CG-CD1 3.75Å; E171-F180 HydrophobicContact CG-CE1 3.68Å; E171-F180 WeakPolarHBondContact OE1-CE1 3.49Å; I178-F180 HydrophobicContact CB-CD2 4.37Å; I178-F180 HydrophobicContact CB-CE2 3.73Å; I178-F180 HydrophobicContact CB-CZ 4.32Å; I178-F180 HydrophobicContact CG2-CD2 4.03Å; I178-F180 HydrophobicContact CG2-CE1 4.46Å; I178-F180 HydrophobicContact CG2-CE2 3.48Å; I178-F180 VanDerWaalsContact CG2-CE2 3.48Å; I178-F180 HydrophobicContact CG2-CZ 3.72Å
181V94.9Very high92.4Very high2 Ų241.7 Ų41.71%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-131.2126.7-173.1-175.70000109.2P42 V131 L170P42-V181 HydrophobicContact CG-CG2 3.94Å; V131-V181 HydrophobicContact CB-CG1 3.75Å; V131-V181 HydrophobicContact CG1-CG1 3.62Å; V131-V181 HydrophobicContact CG2-CG1 4.05Å; L170-V181 HydrophobicContact CB-CB 4.31Å; L170-V181 WeakPolarHBondContact CB-O 3.35Å; L170-V181 PolarHBondContact N-O 2.76Å; L170-V181 PolarHBondContact O-N 2.79Å
182C94.3Very high92.4Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-124107.5176.7-57.40000109V131 V132 A166V131-C182 WeakPolarHBondContact CA-O 3.35Å; V132-C182 HydrophobicContact CB-CB 4.44Å; V132-C182 PolarHBondContact N-O 3.29Å; V132-C182 PolarHBondContact O-N 3.32Å; A166-C182 HydrophobicContact CB-CB 3.64Å
183P93.7Very high92.3Very high0 Ų044.3 Ų44.30%022%0.218CC..EExtended strand (participates in β ladder)trans-61.8137.1178-22.434.1000112.1A166 H167 P168 L170 F190A166-P183 WeakPolarHBondContact CA-O 3.46Å; H167-P183 PolarHBondContact N-O 2.96Å; P168-P183 WeakPolarHBondContact O-CD 3.3Å; L170-P183 HydrophobicContact CD1-CG 4.1Å; P183-F190 HydrophobicContact CB-CD2 3.79Å; P183-F190 HydrophobicContact CB-CE2 3.65Å; P183-F190 HydrophobicContact CB-CZ 4.27Å; P183-F190 HydrophobicContact CG-CD1 4.13Å; P183-F190 HydrophobicContact CG-CD2 3.6Å; P183-F190 HydrophobicContact CG-CE1 4.23Å; P183-F190 HydrophobicContact CG-CE2 3.72Å; P183-F190 HydrophobicContact CG-CG 3.83Å; P183-F190 HydrophobicContact CG-CZ 4.05Å
184L92.9Very high92.3Very high43 Ų4344.9 Ų44.923%0.22522%0.221CC..SBendtrans-96.9-14178.2-71.1174000113.7H130 V132 L164 A166 Q187H130-L184 HydrophobicContact CB-CB 4.32Å; H130-L184 HydrophobicContact CB-CD1 4.27Å; H130-L184 WeakPolarHBondContact O-CB 3.35Å; H130-L184 PolarHBondContact O-N 3.22Å; V132-L184 HydrophobicContact CG2-CD1 3.93Å; V132-L184 HydrophobicContact CG2-CD2 3.83Å; V132-L184 HydrophobicContact CG2-CG 4.03Å; L164-L184 HydrophobicContact CB-CD2 3.84Å; L164-L184 HydrophobicContact CD1-CD2 4.22Å; L164-L184 HydrophobicContact CD2-CD2 4.46Å; L164-L184 HydrophobicContact CG-CD2 4.39Å; A166-L184 HydrophobicContact CB-CD2 3.68Å; L184-Q187 PolarHBondContact O-NE2 3.42Å; L184-Q187 VanDerWaalsContact O-NE2 3.08Å
185A89.7Confident92.4Very high35 Ų3542 Ų4229%0.28921%0.209SC..SBendtrans-140.7153.9-177.700000110.6Q187A185-Q187 PolarHBondContact O-N 2.98Å
186R89.6Confident92.5Very high158 Ų15838.3 Ų38.360%0.59619%0.19SC*.  trans50.639.8-179.4-56.3178.568.1-134.6-1.8111.6G188 D189R186-G188 PolarHBondContact O-N 2.72Å; R186-G188 VanDerWaalsContact O-N 3.1Å; R186-D189 IonicContact CZ-OD2 2.61Å; R186-D189 IonicContact NE-OD2 3.73Å; R186-D189 PolarHBondContact NE-OD2 3.38Å; R186-D189 IonicContact NH1-OD2 3.49Å; R186-D189 PolarHBondContact NH1-OD2 2.74Å; R186-D189 IonicContact NH2-OD2 3.91Å; R186-D189 PolarHBondContact NH2-OD2 3.33Å; R186-D189 WeakPolarHBondContact O-CB 3.13Å; R186-D189 PolarHBondContact O-N 3.29Å
187Q90.4Very high92.4Very high37 Ų3740.1 Ų40.117%0.17320%0.196CC..G310 helixtrans-55.1-36.9-172.2-64.295-18.900112.1C165 H167 L184 A185 D189 F190 Y191C165-Q187 PolarHBondContact O-NE2 3.38Å; H167-Q187 WeakPolarHBondContact CE1-CB 3.1Å; H167-Q187 WeakPolarHBondContact O-CB 3.47Å; H167-Q187 WeakPolarHBondContact O-CG 3.49Å; L184-Q187 PolarHBondContact O-NE2 3.42Å; L184-Q187 VanDerWaalsContact O-NE2 3.08Å; A185-Q187 PolarHBondContact O-N 2.98Å; Q187-D189 PolarHBondContact O-N 2.7Å; Q187-D189 VanDerWaalsContact O-N 3.09Å; Q187-F190 PolarHBondContact O-N 3.04Å; Q187-Y191 WeakPolarHBondContact O-CD1 3.36Å; Q187-Y191 WeakPolarHBondContact O-CE1 3.37Å
188G87.4Confident92.2Very high38 Ų3838.2 Ų38.239%0.39219%0.194SC..G310 helixtrans-61.1-15.317900000115.4R186 F190 K196R186-G188 PolarHBondContact O-N 2.72Å; R186-G188 VanDerWaalsContact O-N 3.1Å; G188-F190 VanDerWaalsContact C-N 3.31Å; G188-K196 WeakPolarHBondContact O-CE 3.48Å; G188-K196 PolarHBondContact O-NZ 3.11Å; G188-K196 VanDerWaalsContact O-NZ 3.08Å
189D90.6Very high91.9Very high46 Ų4641.4 Ų41.425%0.24621%0.209CC..G310 helixtrans-76.9-22.2174.7-67.9-18.4000112.9P126 R186 Q187 Y191P126-D189 HydrophobicContact CG-CB 3.57Å; R186-D189 IonicContact CZ-OD2 2.61Å; R186-D189 IonicContact NE-OD2 3.73Å; R186-D189 PolarHBondContact NE-OD2 3.38Å; R186-D189 IonicContact NH1-OD2 3.49Å; R186-D189 PolarHBondContact NH1-OD2 2.74Å; R186-D189 IonicContact NH2-OD2 3.91Å; R186-D189 PolarHBondContact NH2-OD2 3.33Å; R186-D189 WeakPolarHBondContact O-CB 3.13Å; R186-D189 PolarHBondContact O-N 3.29Å; Q187-D189 PolarHBondContact O-N 2.7Å; Q187-D189 VanDerWaalsContact O-N 3.09Å; D189-Y191 PolarHBondContact O-N 3.34Å
190F92.4Very high91.6Very high5 Ų546.3 Ų46.32%0.02223%0.226CC..G310 helixtrans-87.412.9177.1-58.7-84.1000112.3F125 P126 P128 P168 L170 P183 Q187 G188F125-F190 HydrophobicContact CB-CD1 3.85Å; F125-F190 HydrophobicContact CB-CE1 4.03Å; F125-F190 HydrophobicContact CD1-CD1 4.45Å; F125-F190 HydrophobicContact CD2-CD1 4.17Å; F125-F190 WeakPolarHBondContact CE1-O 3.19Å; F125-F190 AromaticContact CG-CD1 3.94Å; F125-F190 HydrophobicContact CG-CD1 3.94Å; F125-F190 WeakPolarHBondContact CZ-O 3.27Å; P126-F190 HydrophobicContact CG-CZ 4.23Å; P126-F190 WeakPolarHBondContact O-CE1 3.48Å; P128-F190 HydrophobicContact CB-CZ 3.84Å; P128-F190 HydrophobicContact CG-CE1 4Å; P128-F190 HydrophobicContact CG-CZ 3.8Å; P168-F190 HydrophobicContact CG-CB 3.71Å; L170-F190 HydrophobicContact CD2-CD1 4.3Å; P183-F190 HydrophobicContact CB-CD2 3.79Å; P183-F190 HydrophobicContact CB-CE2 3.65Å; P183-F190 HydrophobicContact CB-CZ 4.27Å; P183-F190 HydrophobicContact CG-CD1 4.13Å; P183-F190 HydrophobicContact CG-CD2 3.6Å; P183-F190 HydrophobicContact CG-CE1 4.23Å; P183-F190 HydrophobicContact CG-CE2 3.72Å; P183-F190 HydrophobicContact CG-CG 3.83Å; P183-F190 HydrophobicContact CG-CZ 4.05Å; Q187-F190 PolarHBondContact O-N 3.04Å; G188-F190 VanDerWaalsContact C-N 3.31Å
191Y93.4Very high91.3Very high18 Ų1852.6 Ų52.67%0.07125%0.254CS..SBendtrans-100.2123.2178.6-75.250.5000109.1Y81 H167 P168 Q187 D189 M195 K196 E199Y81-Y191 HydrophobicContact CD1-CD1 4.46Å; Y81-Y191 HydrophobicContact CD1-CD2 4.27Å; Y81-Y191 HydrophobicContact CD1-CE1 4.46Å; Y81-Y191 HydrophobicContact CD1-CE2 4.22Å; Y81-Y191 HydrophobicContact CD1-CG 4.34Å; Y81-Y191 HydrophobicContact CE1-CD1 4.26Å; Y81-Y191 HydrophobicContact CE1-CD2 4.39Å; Y81-Y191 HydrophobicContact CE1-CG 4.09Å; H167-Y191 AromaticContact ND1-CE1 3.96Å; H167-Y191 AromaticContact ND1-CZ 3.86Å; H167-Y191 PolarHBondContact ND1-OH 2.91Å; P168-Y191 HydrophobicContact CB-CE1 4.39Å; P168-Y191 HydrophobicContact CG-CD1 4.27Å; P168-Y191 HydrophobicContact CG-CE1 4.07Å; Q187-Y191 WeakPolarHBondContact O-CD1 3.36Å; Q187-Y191 WeakPolarHBondContact O-CE1 3.37Å; D189-Y191 PolarHBondContact O-N 3.34Å; Y191-M195 HydrophobicContact CD2-CB 4.42Å; Y191-M195 HydrophobicContact CD2-CE 3.86Å; Y191-M195 HydrophobicContact CD2-CG 3.44Å; Y191-M195 VanDerWaalsContact CD2-CG 3.44Å; Y191-M195 HydrophobicContact CE2-CE 3.52Å; Y191-M195 HydrophobicContact CE2-CG 4.03Å; Y191-M195 HydrophobicContact CG-CG 4.24Å; Y191-K196 WeakPolarHBondContact O-CE 3.46Å; Y191-E199 WeakPolarHBondContact CE2-OE1 3.31Å
192V94.1Very high90.9Very high0 Ų055.7 Ų55.70%028%0.276CS..  trans-65150.8173.4-63.80000110.8Y50 F52 Y81 A95 F123 F125 E194 M195 K196Y50-V192 HydrophobicContact CD1-CG1 4.39Å; Y50-V192 HydrophobicContact CD2-CB 4.32Å; Y50-V192 HydrophobicContact CD2-CG1 3.81Å; Y50-V192 HydrophobicContact CE1-CG1 4.15Å; Y50-V192 HydrophobicContact CE2-CB 3.57Å; Y50-V192 HydrophobicContact CE2-CG1 3.51Å; Y50-V192 HydrophobicContact CE2-CG2 3.94Å; Y50-V192 HydrophobicContact CG-CG1 4.25Å; F52-V192 HydrophobicContact CB-CG2 4.48Å; F52-V192 HydrophobicContact CD2-CG2 3.65Å; F52-V192 HydrophobicContact CE2-CG2 4.25Å; F52-V192 HydrophobicContact CG-CG2 4.33Å; Y81-V192 HydrophobicContact CE2-CG2 4.3Å; Y81-V192 WeakPolarHBondContact OH-CG1 3.29Å; Y81-V192 WeakPolarHBondContact OH-CG2 3.39Å; Y81-V192 PolarHBondContact OH-N 3.12Å; A95-V192 HydrophobicContact CB-CG1 4.28Å; A95-V192 HydrophobicContact CB-CG2 4.48Å; F123-V192 HydrophobicContact CD1-CG1 4.46Å; F125-V192 HydrophobicContact CE1-CG1 4.3Å; F125-V192 HydrophobicContact CZ-CG1 4.17Å; V192-E194 VanDerWaalsContact C-N 3.26Å; V192-E194 PolarHBondContact O-N 3.27Å; V192-E194 VanDerWaalsContact O-N 3.13Å; V192-M195 HydrophobicContact CG2-CB 3.96Å; V192-M195 WeakPolarHBondContact O-CB 3.34Å; V192-M195 PolarHBondContact O-N 3.2Å; V192-K196 PolarHBondContact O-N 3.41Å; V192-K196 VanDerWaalsContact O-N 3.15Å
193P92.5Very high90.7Very high59 Ų5964.4 Ų64.438%0.38331%0.308SS..Hα-helixtrans-46.6-41.7-179-32.135.2000115.5Y50 F123 M195 K196 E197Y50-P193 WeakPolarHBondContact OH-CD 3.34Å; F123-P193 HydrophobicContact CD2-CG 3.97Å; F123-P193 HydrophobicContact CE2-CG 4.04Å; P193-M195 VanDerWaalsContact C-N 3.3Å; P193-M195 PolarHBondContact O-N 2.89Å; P193-K196 WeakPolarHBondContact O-CB 3.32Å; P193-K196 PolarHBondContact O-N 2.99Å; P193-E197 PolarHBondContact O-N 3.4Å
194E93.6Very high90.4Very high29 Ų2966.3 Ų66.314%0.13633%0.325CS..Hα-helixtrans-65-35.8179.8-61.593.3147.200112.4Y50 F52 K121 V192 E197 L198Y50-E194 PolarHBondContact OH-OE2 2.9Å; Y50-E194 VanDerWaalsContact OH-OE2 3.05Å; F52-E194 HydrophobicContact CB-CB 4.34Å; F52-E194 HydrophobicContact CB-CG 4.36Å; F52-E194 HydrophobicContact CD1-CB 3.68Å; F52-E194 HydrophobicContact CD1-CG 4.28Å; F52-E194 HydrophobicContact CD2-CB 4.48Å; F52-E194 HydrophobicContact CE1-CB 4.05Å; F52-E194 HydrophobicContact CG-CB 3.91Å; F52-E194 HydrophobicContact CG-CG 4.43Å; K121-E194 WeakPolarHBondContact CD-OE1 3.23Å; K121-E194 VanDerWaalsContact CE-OE1 3.29Å; K121-E194 WeakPolarHBondContact CE-OE1 3.38Å; K121-E194 IonicContact NZ-OE1 2.64Å; K121-E194 PolarHBondContact NZ-OE1 3.3Å; V192-E194 VanDerWaalsContact C-N 3.26Å; V192-E194 PolarHBondContact O-N 3.27Å; V192-E194 VanDerWaalsContact O-N 3.13Å; E194-E197 PolarHBondContact O-N 3.31Å; E194-L198 WeakPolarHBondContact O-CB 3.47Å; E194-L198 PolarHBondContact O-N 2.89Å
195M92.6Very high90.3Very high1 Ų168.3 Ų68.31%0.00534%0.338CS..Hα-helixtrans-68.5-42.7176.3178.756.9-16700110.2F52 Y81 R93 Y191 V192 P193 E197 L198 E199F52-M195 HydrophobicContact CE2-CB 4.05Å; F52-M195 HydrophobicContact CZ-CB 4.49Å; Y81-M195 HydrophobicContact CD1-CG 3.99Å; Y81-M195 HydrophobicContact CD2-CG 4.35Å; Y81-M195 HydrophobicContact CE1-CG 4.17Å; Y81-M195 HydrophobicContact CE2-CB 4.46Å; Y81-M195 HydrophobicContact CG-CE 4.47Å; Y81-M195 HydrophobicContact CG-CG 4.09Å; Y81-M195 HydrophobicContact CG-SD 4.27Å; R93-M195 VanDerWaalsContact CZ-SD 3.58Å; R93-M195 VanDerWaalsContact NH1-CE 3.26Å; R93-M195 PolarHBondContact NH1-SD 3.08Å; R93-M195 VanDerWaalsContact NH1-SD 3.41Å; Y191-M195 HydrophobicContact CD2-CB 4.42Å; Y191-M195 HydrophobicContact CD2-CE 3.86Å; Y191-M195 HydrophobicContact CD2-CG 3.44Å; Y191-M195 VanDerWaalsContact CD2-CG 3.44Å; Y191-M195 HydrophobicContact CE2-CE 3.52Å; Y191-M195 HydrophobicContact CE2-CG 4.03Å; Y191-M195 HydrophobicContact CG-CG 4.24Å; V192-M195 HydrophobicContact CG2-CB 3.96Å; V192-M195 WeakPolarHBondContact O-CB 3.34Å; V192-M195 PolarHBondContact O-N 3.2Å; P193-M195 VanDerWaalsContact C-N 3.3Å; P193-M195 PolarHBondContact O-N 2.89Å; M195-E197 VanDerWaalsContact C-N 3.34Å; M195-E197 PolarHBondContact O-N 2.9Å; M195-L198 PolarHBondContact O-N 3.38Å; M195-E199 HydrophobicContact CE-CG 3.72Å; M195-E199 VanDerWaalsContact CE-OE1 3.24Å; M195-E199 WeakPolarHBondContact CE-OE1 3.43Å; M195-E199 WeakPolarHBondContact O-CG 3.34Å; M195-E199 PolarHBondContact O-N 2.83Å
196K89.8Confident90.1Very high86 Ų8669.3 Ų69.337%0.37435%0.346SS..Hα-helixtrans-61.5-41.5174.4-65.3-178173.91780112.1G188 Y191 V192 P193 E199 R200G188-K196 WeakPolarHBondContact O-CE 3.48Å; G188-K196 PolarHBondContact O-NZ 3.11Å; G188-K196 VanDerWaalsContact O-NZ 3.08Å; Y191-K196 WeakPolarHBondContact O-CE 3.46Å; V192-K196 PolarHBondContact O-N 3.41Å; V192-K196 VanDerWaalsContact O-N 3.15Å; P193-K196 WeakPolarHBondContact O-CB 3.32Å; P193-K196 PolarHBondContact O-N 2.99Å; K196-E199 PolarHBondContact O-N 3.36Å; K196-R200 WeakPolarHBondContact O-CB 3.38Å; K196-R200 PolarHBondContact O-N 2.88Å
197E90.6Very high89.9Confident119 Ų11964 Ų6456%0.55634%0.337SS*.Hα-helixtrans-65.1-41.4177.2-173.4178.2-178.500111.8P193 E194 M195 R200 K201P193-E197 PolarHBondContact O-N 3.4Å; E194-E197 PolarHBondContact O-N 3.31Å; M195-E197 VanDerWaalsContact C-N 3.34Å; M195-E197 PolarHBondContact O-N 2.9Å; E197-R200 PolarHBondContact O-N 2.87Å; E197-K201 WeakPolarHBondContact O-CB 3.3Å; E197-K201 PolarHBondContact O-N 3.38Å
198L88.4Confident89.7Confident67 Ų6768.9 Ų68.935%0.35136%0.359SS..Hα-helixtrans-65.5-40.1177.9-170.768.8000112.1R93 E194 M195 K201 S202R93-L198 HydrophobicContact CG-CD2 4.34Å; E194-L198 WeakPolarHBondContact O-CB 3.47Å; E194-L198 PolarHBondContact O-N 2.89Å; M195-L198 PolarHBondContact O-N 3.38Å; L198-K201 PolarHBondContact O-N 3.48Å; L198-S202 WeakPolarHBondContact O-CB 3.34Å; L198-S202 PolarHBondContact O-N 2.83Å; L198-S202 PolarHBondContact O-OG 3.34Å
199E87.9Confident89.4Confident67 Ų6770 Ų7031%0.31337%0.365SS..Hα-helixtrans-63.6-41.5172.6-74.1-172.9151.900112.1Y191 M195 K196 K201 S202 R203Y191-E199 WeakPolarHBondContact CE2-OE1 3.31Å; M195-E199 HydrophobicContact CE-CG 3.72Å; M195-E199 VanDerWaalsContact CE-OE1 3.24Å; M195-E199 WeakPolarHBondContact CE-OE1 3.43Å; M195-E199 WeakPolarHBondContact O-CG 3.34Å; M195-E199 PolarHBondContact O-N 2.83Å; K196-E199 PolarHBondContact O-N 3.36Å; E199-K201 PolarHBondContact O-N 3.4Å; E199-S202 WeakPolarHBondContact CA-OG 3.26Å; E199-S202 PolarHBondContact O-OG 2.97Å; E199-R203 WeakPolarHBondContact O-CB 3.38Å; E199-R203 PolarHBondContact O-N 3.47Å
200R89.4Confident88.8Confident160 Ų16074 Ų7460%0.60438%0.382SS*.Hα-helixtrans-62.5-44175.3-169.9-170.768.278.5-0.4111.5K196 E197 R203 A204K196-R200 WeakPolarHBondContact O-CB 3.38Å; K196-R200 PolarHBondContact O-N 2.88Å; E197-R200 PolarHBondContact O-N 2.87Å; R200-R203 PolarHBondContact O-N 3.29Å; R200-A204 PolarHBondContact O-N 3.47Å
201K90.1Very high88Confident134 Ų13479 Ų7958%0.58341%0.409SS*.Hα-helixtrans-66.4-44.2-179.9-171.3174.6-178.9178.10111.8E197 L198 E199 R203 A204 V205E197-K201 WeakPolarHBondContact O-CB 3.3Å; E197-K201 PolarHBondContact O-N 3.38Å; L198-K201 PolarHBondContact O-N 3.48Å; E199-K201 PolarHBondContact O-N 3.4Å; K201-R203 VanDerWaalsContact C-N 3.34Å; K201-R203 PolarHBondContact O-N 2.9Å; K201-A204 PolarHBondContact O-N 3.42Å; K201-V205 WeakPolarHBondContact O-CG2 3.39Å; K201-V205 PolarHBondContact O-N 2.91Å; K201-V205 VanDerWaalsContact O-N 3.08Å
202S86.4Confident86.9Confident67 Ų6781 Ų8147%0.46943%0.43SS..Hα-helixtrans-63.4-39.3176.450.90000112.3L198 E199 V205 A206L198-S202 WeakPolarHBondContact O-CB 3.34Å; L198-S202 PolarHBondContact O-N 2.83Å; L198-S202 PolarHBondContact O-OG 3.34Å; E199-S202 WeakPolarHBondContact CA-OG 3.26Å; E199-S202 PolarHBondContact O-OG 2.97Å; S202-V205 PolarHBondContact O-N 3.45Å; S202-A206 PolarHBondContact O-N 3.28Å
203R88.4Confident85.2Confident183 Ų18388.6 Ų88.669%0.69147%0.465SS*.Hα-helixtrans-63.8-41.5174-169.8-178.8-57.1-155.90.1112.9E199 R200 K201 A206 A207E199-R203 WeakPolarHBondContact O-CB 3.38Å; E199-R203 PolarHBondContact O-N 3.47Å; R200-R203 PolarHBondContact O-N 3.29Å; K201-R203 VanDerWaalsContact C-N 3.34Å; K201-R203 PolarHBondContact O-N 2.9Å; R203-A206 PolarHBondContact O-N 3.15Å; R203-A207 PolarHBondContact O-N 3.46Å
204A89Confident83.6Confident41 Ų4190.3 Ų90.334%0.33948%0.475SS..Hα-helixtrans-62.5-44.8177.100000111.7R200 K201 A206 A207 E208R200-A204 PolarHBondContact O-N 3.47Å; K201-A204 PolarHBondContact O-N 3.42Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-A206 PolarHBondContact O-N 2.73Å; A204-A207 PolarHBondContact O-N 3.48Å; A204-E208 WeakPolarHBondContact O-CG 3.45Å; A204-E208 PolarHBondContact O-N 2.88Å
205V89.3Confident81.8Confident84 Ų8495.5 Ų95.551%0.50950%0.503SS..Hα-helixtrans-63.6-38.2177.1174.20000111.7K201 S202 A209K201-V205 WeakPolarHBondContact O-CG2 3.39Å; K201-V205 PolarHBondContact O-N 2.91Å; K201-V205 VanDerWaalsContact O-N 3.08Å; S202-V205 PolarHBondContact O-N 3.45Å; V205-A209 PolarHBondContact O-N 3.5Å; V205-A209 VanDerWaalsContact O-N 3.12Å
206A86Confident80.2Confident56 Ų56102.4 Ų102.446%0.46354%0.539SS..Hα-helixtrans-65.1-41.5176.200000112.1S202 R203 A204 A209 E210S202-A206 PolarHBondContact O-N 3.28Å; R203-A206 PolarHBondContact O-N 3.15Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-A206 PolarHBondContact O-N 2.73Å; A206-A209 PolarHBondContact O-N 2.94Å; A206-E210 PolarHBondContact O-N 3.33Å; A206-E210 VanDerWaalsContact O-N 3.08Å
207A86.2Confident78.5Confident48 Ų48104.7 Ų104.740%0.39756%0.56SS.*Hα-helixtrans-64.5-43.3176.800000112.2R203 A204 A209 E210 D211R203-A207 PolarHBondContact O-N 3.46Å; A204-A207 PolarHBondContact O-N 3.48Å; A207-A209 VanDerWaalsContact C-N 3.26Å; A207-A209 PolarHBondContact O-N 3.25Å; A207-E210 PolarHBondContact O-N 2.9Å; A207-D211 PolarHBondContact O-N 2.91Å
208E85Confident76.7Confident138 Ų138102.6 Ų102.665%0.64557%0.57SS**Hα-helixtrans-61.9-34.3175.8-71.4177.917400112.6A204 A212A204-E208 WeakPolarHBondContact O-CG 3.45Å; A204-E208 PolarHBondContact O-N 2.88Å; E208-A212 WeakPolarHBondContact O-CB 3.4Å; E208-A212 PolarHBondContact O-N 3.33Å
209A82.1Confident74.8Confident61 Ų61103.5 Ų103.550%0.50459%0.587SS.*Hα-helixtrans-72.6-36.9177.200000112.8V205 A206 A207 Q213V205-A209 PolarHBondContact O-N 3.5Å; V205-A209 VanDerWaalsContact O-N 3.12Å; A206-A209 PolarHBondContact O-N 2.94Å; A207-A209 VanDerWaalsContact C-N 3.26Å; A207-A209 PolarHBondContact O-N 3.25Å; A209-Q213 PolarHBondContact O-N 3.33Å
210E77.8Confident72.7Confident130 Ų130107.4 Ų107.461%0.60761%0.61SS**Hα-helixtrans-68.5-43.7175.1-73.8-160.2164.200111.8A206 A207 A212 Q213 T214A206-E210 PolarHBondContact O-N 3.33Å; A206-E210 VanDerWaalsContact O-N 3.08Å; A207-E210 PolarHBondContact O-N 2.9Å; E210-A212 VanDerWaalsContact C-N 3.33Å; E210-A212 PolarHBondContact O-N 2.94Å; E210-Q213 PolarHBondContact O-N 3.45Å; E210-T214 PolarHBondContact O-N 2.92Å
211D75.5Confident70.7Confident110 Ų110105.8 Ų105.859%0.58862%0.619SS**Hα-helixtrans-60-43.3178-75.2-15.5000111.2A207 Q213 T214A207-D211 PolarHBondContact O-N 2.91Å; D211-Q213 PolarHBondContact O-N 3.41Å; D211-T214 PolarHBondContact O-N 3.22Å; D211-T214 VanDerWaalsContact O-N 3.14Å; D211-T214 PolarHBondContact O-OG1 2.9Å
212A70.5Confident68.5Low62 Ų62107.4 Ų107.451%0.51263%0.63SS.*Hα-helixtrans-63.5-23.8176.800000114.1E208 E210E208-A212 WeakPolarHBondContact O-CB 3.4Å; E208-A212 PolarHBondContact O-N 3.33Å; E210-A212 VanDerWaalsContact C-N 3.33Å; E210-A212 PolarHBondContact O-N 2.94Å
213Q58.6Low66.4Low158 Ų158109.4 Ų109.474%0.73864%0.644SS**Hα-helixtrans-82-22.3177.8-170.3166.7-15.700112.5A209 E210 D211A209-Q213 PolarHBondContact O-N 3.33Å; E210-Q213 PolarHBondContact O-N 3.45Å; D211-Q213 PolarHBondContact O-N 3.41Å
214T58.8Low64.3Low95 Ų95109.1 Ų109.158%0.58365%0.651SS**Hα-helixtrans-80.2-16178.961.40000114.6E210 D211 I216E210-T214 PolarHBondContact O-N 2.92Å; D211-T214 PolarHBondContact O-N 3.22Å; D211-T214 VanDerWaalsContact O-N 3.14Å; D211-T214 PolarHBondContact O-OG1 2.9Å; T214-I216 PolarHBondContact O-N 2.92Å
215D55Low61.7Low139 Ų139113.9 Ų113.974%0.74368%0.676SS**THydrogen-bonded Turntrans-82.4-2.5-178.9-79.3-23.5000114.7
216I58.5Low59.2Low146 Ų146115 Ų11575%0.74969%0.688SS**THydrogen-bonded Turntrans-92.6-9.2-175.7-70.6177.1000114.2T214T214-I216 PolarHBondContact O-N 2.92Å
217T55.4Low57Low134 Ų134117.3 Ų117.382%0.82270%0.7SS**SBendtrans-100.315.1-177.425.90000115.8
218G52.5Low54.6Low74 Ų74121.6 Ų121.676%0.76372%0.715SS**  trans-114.752.2-178.600000114.9
219A48.2Very low52.2Low86 Ų86121 Ų12171%0.71173%0.726SS**  trans-137.688.9168.400000111.1T221A219-T221 PolarHBondContact O-N 2.9Å; A219-T221 VanDerWaalsContact O-N 3.08Å
220D45Very low50.1Low149 Ų149125.3 Ų125.380%0.79774%0.74SS**  trans-48.4108.9166.2-65.2-51.1000110.6M222D220-M222 VanDerWaalsContact C-N 3.27Å; D220-M222 PolarHBondContact O-N 3.2Å
221T46.4Very low48.2Very low127 Ų127128.4 Ų128.478%0.77975%0.754SS**  trans-80.880.1169.2-56.50000108.6A219 S223A219-T221 PolarHBondContact O-N 2.9Å; A219-T221 VanDerWaalsContact O-N 3.08Å; T221-S223 PolarHBondContact O-N 3.44Å
222M43Very low46.3Very low168 Ų168127.1 Ų127.183%0.82876%0.759SS**  trans-7394.8164.1-67.8-84.2-175.400108.1D220D220-M222 VanDerWaalsContact C-N 3.27Å; D220-M222 PolarHBondContact O-N 3.2Å
223S43.2Very low44.4Very low109 Ų109130.2 Ų130.276%0.76277%0.772SS**  trans-93.793169.2-740000110T221T221-S223 PolarHBondContact O-N 3.44Å
224E43.3Very low43.1Very low176 Ų176129 Ų12982%0.82278%0.775SS**  trans-118.8124.2156-64.6-150.7141.500109.1
225T34.7Very low41.7Very low142 Ų142128.2 Ų128.287%0.87179%0.786SS**  158.4134.6119.553.40000113
226S38.4Very low40.9Very low108 Ų108126.6 Ų126.676%0.75579%0.785SS**  trans-49.4155.2172-1720000114.2
227S39.6Very low40Very low103 Ų103129.6 Ų129.672%0.7279%0.787SS**  176.913473.830.10000115.6
228I35.6Very low39Very low139 Ų139129 Ų12971%0.71378%0.779SS**  trans39.1129144.7168.5167.4000122.9
229S34.8Very low38.2Very low126 Ų126132.6 Ų132.688%0.88179%0.787SS**  -154.1133.4128.3-66.70000111.5
230L37.5Very low37.7Very low151 Ų151133.8 Ų133.879%0.79179%0.79SS**  trans-74.4145.6176.8-92.1144.6000112.3
231E36.7Very low37.5Very low194 Ų194132.9 Ų132.991%0.90779%0.789SS**  176.4159.3109.8-97.6-167.9124.800113.1
232A35.9Very low36.8Very low84 Ų84130.9 Ų130.969%0.69479%0.786SS**  trans-86162.5-157.500000115.4
233T30.3Very low36.3Very low126 Ų126128.6 Ų128.677%0.77378%0.781SS**  164.4121.811242.90000113.2
234T33Very low35.7Very low133 Ų133128.2 Ų128.282%0.81678%0.779SS**  trans49.7127.7134.363.90000124.4
235G29.3Very low35.3Very low79 Ų79126.8 Ų126.881%0.81478%0.775SS**  trans80.6148140.300000115.6
236S37.6Very low35.2Very low104 Ų104127.5 Ų127.573%0.72777%0.773SS**  cis-176.6135.818.1166.80000108
237R40.5Very low34.9Very low209 Ų209127 Ų12779%0.78977%0.77SS**  trans42.8129140.7-55.7-179.386120.5-1.4122.1
238D33Very low35.1Very low122 Ų122128.1 Ų128.165%0.65277%0.774SS**  43124.4128.5-47.7-38.8000119.6
239T36.2Very low35.1Very low149 Ų149130.6 Ų130.691%0.91478%0.78SS**  -175.5147.4111.924.30000112.7
240S38.2Very low35.6Very low111 Ų111130.2 Ų130.278%0.77678%0.775SS**  trans-88.6-168.4-167.2-46.10000113.8
241V39.5Very low35.3Very low130 Ų130127.6 Ų127.679%0.78878%0.775SS**  trans97.194.8155.8-1580000112.7
242A32.9Very low35Very low86 Ų86121.8 Ų121.871%0.71177%0.767SS**  65.7134.676.600000111.1
243T33Very low34.8Very low119 Ų119129.9 Ų129.973%0.7378%0.78SS**  -177.213850.5-71.20000108.1
244S29.7Very low34.7Very low102 Ų102127.7 Ų127.771%0.71378%0.782SS**  trans36.1147.3140.8-45.10000121.1
245I34.9Very low34.9Very low146 Ų146130.4 Ų130.475%0.74978%0.777SS**  -170.812779.8-84.8170.8000110.9
246L33.1Very low35.2Very low157 Ų157136.1 Ų136.182%0.82278%0.782SS**  trans59.2108.6144.7-61.9167.7000122.1
247S32Very low35.2Very low98 Ų98136.7 Ų136.769%0.68577%0.774SS**  trans-71.4164.9135.945.70000111.1
248P43Very low35.1Very low126 Ų126131.5 Ų131.582%0.81878%0.775SS**  -140.8127.9101.330.8-13.9000114.2
249F36Very low35.2Very low190 Ų190132.3 Ų132.383%0.83378%0.779SS**  trans-81.1155.4143.5-88.6-85.3000108.3
250P45.5Very low35.2Very low119 Ų119133 Ų13377%0.77378%0.778SS**  -140.2172.99329.6-12000111.5
251A30.2Very low35.1Very low96 Ų96138.9 Ų138.979%0.79378%0.783SS**  cis176.7137.4-29.500000103.5
252G30.4Very low34.9Very low71 Ų71137.1 Ų137.173%0.73278%0.777SS**  trans167.163.817400000110.6
253R33.4Very low34.9Very low255 Ų255140.4 Ų140.496%0.96278%0.777SS**  47.2101.8114.8-95.6-173.3-168.7-107.51.1111.6
254G27.9Very low35Very low79 Ų79142.5 Ų142.581%0.81478%0.778SS**  109.3136.368.600000105.8
255R37Very low35.2Very low191 Ų191142.4 Ų142.472%0.72178%0.778SS**  cis-169.9125.232.9172.5179.3-174.1-126.9-1.5104.3E257R255-E257 VanDerWaalsContact CZ-CD 3.42Å; R255-E257 IonicContact CZ-OE1 3.29Å; R255-E257 VanDerWaalsContact CZ-OE1 3.29Å; R255-E257 IonicContact CZ-OE2 3.06Å; R255-E257 IonicContact NE-OE2 3.94Å; R255-E257 IonicContact NH1-OE1 3.64Å; R255-E257 IonicContact NH1-OE2 2.66Å; R255-E257 PolarHBondContact NH1-OE2 3.47Å; R255-E257 IonicContact NH2-OE1 2.63Å; R255-E257 PolarHBondContact NH2-OE1 3.33Å; R255-E257 IonicContact NH2-OE2 3.22Å; R255-E257 PolarHBondContact NH2-OE2 2.87Å
256E35.3Very low35.4Very low198 Ų198146.2 Ų146.293%0.92578%0.784SS**  trans-77.1123.8163.5-68.5174.2169.600106.8
257E38.1Very low35.5Very low117 Ų117143.9 Ų143.955%0.54778%0.781SS.*  trans-131.1104.9167.7-156.1165.7-143.700106.6R255 D259R255-E257 VanDerWaalsContact CZ-CD 3.42Å; R255-E257 IonicContact CZ-OE1 3.29Å; R255-E257 VanDerWaalsContact CZ-OE1 3.29Å; R255-E257 IonicContact CZ-OE2 3.06Å; R255-E257 IonicContact NE-OE2 3.94Å; R255-E257 IonicContact NH1-OE1 3.64Å; R255-E257 IonicContact NH1-OE2 2.66Å; R255-E257 PolarHBondContact NH1-OE2 3.47Å; R255-E257 IonicContact NH2-OE1 2.63Å; R255-E257 PolarHBondContact NH2-OE1 3.33Å; R255-E257 IonicContact NH2-OE2 3.22Å; R255-E257 PolarHBondContact NH2-OE2 2.87Å; E257-D259 PolarHBondContact O-N 3.41Å
258A36.8Very low35.9Very low99 Ų99148.2 Ų148.282%0.81879%0.791SS**  trans-71.4116.7165.400000107.3
259D37.2Very low35.7Very low139 Ų139148.5 Ų148.574%0.74380%0.795SS**  trans-110.9101.1163.9-99.4-16.5000108.7E257 R261E257-D259 PolarHBondContact O-N 3.41Å; D259-R261 PolarHBondContact O-N 2.86Å
260N35Very low35.6Very low165 Ų165142.6 Ų142.688%0.88279%0.788SS**  trans-59.2117.8150.4-93.5-17.6000107.6
261R36.4Very low35.3Very low233 Ų233142.2 Ų142.288%0.87980%0.795SS**  trans-138.899.9158.8-143.4170.5176.8161.6-1.1110.6D259D259-R261 PolarHBondContact O-N 2.86Å
262S35.3Very low35.8Very low94 Ų94143.4 Ų143.466%0.65780%0.798SS**  trans-58.6167.5156.245.70000111.5
263E32.8Very low36.2Very low155 Ų155143.8 Ų143.872%0.72480%0.802SS**  trans91.8108.2163.5-48.8-175.6134.600116.1
264H35.6Very low36.2Very low163 Ų163137.3 Ų137.376%0.75580%0.795SS**  -178.2115.191.3-89.6-68.1000111.6
265S33.1Very low36.8Very low100 Ų100138.7 Ų138.770%0.69979%0.792SS**  trans-68.8124.3164.4-57.30000109.7S267S265-S267 PolarHBondContact O-N 3.3Å
266Y39.6Very low36.7Very low225 Ų225136.6 Ų136.688%0.88279%0.789SS**  trans-91.397.2169.436.5-87000109.5
267S35.5Very low36.9Very low108 Ų108136.2 Ų136.276%0.75579%0.787SS**  trans-93.1119.3155.9-67.30000107.5S265S265-S267 PolarHBondContact O-N 3.3Å
268E39.1Very low36.8Very low190 Ų190137 Ų13789%0.88879%0.791SS**  trans-145.6105.2157-139.8179.2152.800110.4
269S38.9Very low36.8Very low131 Ų131140.5 Ų140.592%0.91680%0.795SS**  trans-97.2122.9153.3-70.10000106.2
270G35.3Very low36.8Very low67 Ų67140.6 Ų140.669%0.69180%0.795SS**  trans-169.399175.900000110.7S272G270-S272 PolarHBondContact O-N 2.89Å
271A38.5Very low37.1Very low110 Ų110140.9 Ų140.991%0.90980%0.796SS**  trans-61128.5169.100000109.9
272S41.1Very low37.1Very low122 Ų122138.3 Ų138.385%0.85379%0.794SS**  trans-151.5119.1163.5-141.90000108.9G270G270-S272 PolarHBondContact O-N 2.89Å
273G37.9Very low36.9Very low79 Ų79140.2 Ų140.281%0.81480%0.801SS**  trans-83.4144.7178.200000111.8
274S33.8Very low37Very low118 Ų118139.4 Ų139.483%0.82581%0.807SS**  trans-175.3107.2160.2-171.40000106.1
275S40.7Very low36.8Very low108 Ų108134.5 Ų134.576%0.75580%0.8SS**  105.5104.288.5-173.20000109.3
276F34.2Very low36.7Very low147 Ų147137.3 Ų137.365%0.64581%0.808SS**  trans-57.4134.4169.3139.5-87.5000111.4E278F276-E278 HydrophobicContact CD2-CB 4.47Å; F276-E278 HydrophobicContact CE1-CB 4.05Å; F276-E278 HydrophobicContact CE1-CG 4.29Å; F276-E278 HydrophobicContact CE2-CB 3.7Å; F276-E278 HydrophobicContact CE2-CG 3.56Å; F276-E278 HydrophobicContact CZ-CB 3.5Å; F276-E278 HydrophobicContact CZ-CG 3.34Å; F276-E278 WeakPolarHBondContact CZ-OE1 3.46Å; F276-E278 WeakPolarHBondContact CZ-OE2 3.43Å
277E39.4Very low36.3Very low190 Ų190129.6 Ų129.689%0.88880%0.797SS**  trans-115.8119.4152.7-83-169.3124.600107.7
278E37Very low36.1Very low133 Ų133134.4 Ų134.462%0.62181%0.807SS**  trans-68.1122.2175.4-145163.4-16300108.3F276F276-E278 HydrophobicContact CD2-CB 4.47Å; F276-E278 HydrophobicContact CE1-CB 4.05Å; F276-E278 HydrophobicContact CE1-CG 4.29Å; F276-E278 HydrophobicContact CE2-CB 3.7Å; F276-E278 HydrophobicContact CE2-CG 3.56Å; F276-E278 HydrophobicContact CZ-CB 3.5Å; F276-E278 HydrophobicContact CZ-CG 3.34Å; F276-E278 WeakPolarHBondContact CZ-OE1 3.46Å; F276-E278 WeakPolarHBondContact CZ-OE2 3.43Å
279L37.3Very low35.5Very low173 Ų173129.1 Ų129.191%0.90680%0.804SS**  trans-112.297.7163.4-83.1174.5000108.1
280D36.6Very low35.2Very low141 Ų141127.7 Ų127.775%0.75480%0.8SS**  trans-56.9128.2162.7-85.2-36.2000110
281L41.1Very low35.5Very low171 Ų171130.8 Ų130.890%0.89581%0.808SS**  trans-135.8111.5159.4-138.5147.1000108.4
282E37.2Very low34.9Very low179 Ų179128.9 Ų128.984%0.83680%0.799SS**  trans-61.8131.6-168.5-63.4-176138.200112.3T284E282-T284 PolarHBondContact O-N 3.33Å
283V30.1Very low34.3Very low134 Ų134131.6 Ų131.681%0.81280%0.803SS**  trans-68.7112.4161.7163.50000108.1
284T35.8Very low33.8Very low139 Ų139135.5 Ų135.585%0.85380%0.804SS**  trans-89.6111.5149.817.10000107.6E282E282-T284 PolarHBondContact O-N 3.33Å
285G30.6Very low34.1Very low59 Ų59135.8 Ų135.861%0.60880%0.803SS**  trans-117.8132.5175.200000110.8
286D31.9Very low33.4Very low159 Ų159137.1 Ų137.185%0.8580%0.802SS**  trans-177125.4164.541.5-39.9000106.1
287G29.7Very low33.2Very low64 Ų64138.8 Ų138.866%0.6682%0.816SS**  cis172.6140.50.900000107.3
288E31.3Very low32.6Very low209 Ų209132.6 Ų132.698%0.97780%0.804SS**  trans60.7130.4148.6-63.4177.398.900122.4
289G27.9Very low32.1Very low79 Ų79137.3 Ų137.381%0.81482%0.817SS**  trans145.596.5150.300000115.8
290A31.6Very low31.7Very low100 Ų100133.9 Ų133.983%0.82681%0.814SS**  trans-77.5-167.5175.100000113.1
291P42.5Very low31.3Very low133 Ų133135 Ų13586%0.86482%0.815SS**  -109.6161.7-103.734.6-17.7000113.8
292G24.7Very low30.7Very low69 Ų69133.4 Ų133.471%0.71181%0.808SS**  trans172.3116168.300000117.2
293L28.5Very low30.2Very low180 Ų180133.9 Ų133.994%0.94281%0.81SS**  trans71.6121.7135.9-60.3170.9000121.1
294L28.9Very low30.2Very low161 Ų161135.2 Ų135.284%0.84381%0.807SS**  trans-46.7163.8156.5-77.7159.5000113.4
295P38.3Very low29.9Very low123 Ų123135.5 Ų135.580%0.79981%0.808SS**  -136.312910733.1-19.3000114.8
296D26.9Very low29.9Very low137 Ų137137.8 Ų137.873%0.73381%0.81SS**  13.7132.1127.3-157.810.7000120.2G298D296-G298 PolarHBondContact OD1-N 3.38Å
297L30.3Very low29.8Very low181 Ų181134 Ų13495%0.94881%0.809SS**  trans-153.183.2152.6-124.8154.9000110.5
298G25.7Very low29.9Very low61 Ų61140.3 Ų140.363%0.62982%0.818SS**  86.8101.9120.700000119.2D296D296-G298 PolarHBondContact OD1-N 3.38Å
299Y26.9Very low29.7Very low231 Ų231142.1 Ų142.191%0.90682%0.816SS**  trans-64.4147.6155.3-90.9-105.1000112.7
300A28.6Very low29.9Very low102 Ų102143.5 Ų143.584%0.84381%0.809SS**  trans-158.3137.5139.100000111.5
301E27.7Very low30Very low164 Ų164148.4 Ų148.477%0.76681%0.812SS**  trans-74.2166.7-170.3-90.2161.3107.500117.3
302D28.8Very low29.5Very low138 Ų138151.1 Ų151.174%0.73881%0.813SS**  trans66.2121.4145.4-63.5-13.9000121.9
303Q28.2Very low30.2Very low189 Ų189153.5 Ų153.588%0.88382%0.816SS**  -167.4131.493.3-140.5167.917.200114.2
304E28.2Very low30.5Very low161 Ų161152.1 Ų152.175%0.75282%0.815SS**  trans-63.1133.6168.8-152.4-175.6159.700111.9T306E304-T306 HydrophobicContact CG-CG2 4.24Å; E304-T306 WeakPolarHBondContact OE1-CG2 3.48Å
305V31.3Very low30.8Very low145 Ų145148.7 Ų148.788%0.87981%0.809SS**  trans-128.2115.6152.5175.60000109
306T29.3Very low30.6Very low107 Ų107147.5 Ų147.566%0.65681%0.81SS**  trans-76.6143.4-178.950.40000111.4E304E304-T306 HydrophobicContact CG-CG2 4.24Å; E304-T306 WeakPolarHBondContact OE1-CG2 3.48Å
307G30.7Very low31.3Very low79 Ų79150.5 Ų150.581%0.81482%0.82SS**  trans-146.985.3167.800000109.9
308K30.8Very low31.6Very low198 Ų198153.7 Ų153.786%0.86182%0.819SS**  trans-71.7130.2170.5-83.8175.8172.5173.60110
309W27.3Very low31.9Very low246 Ų246154 Ų15493%0.93282%0.823SS**  trans-144.2145136-162-91.9000110.7
310T32.5Very low32.5Very low109 Ų109152.1 Ų152.167%0.66982%0.822SS**  trans-88.1155.2-153.131.20000115.4
311K32.8Very low32.9Very low202 Ų202160.2 Ų160.288%0.87884%0.842SS**  trans-47.9143.9165.9-89.4172.1166.7169.60114.2
312E33.5Very low33.1Very low190 Ų190160 Ų16089%0.88885%0.846SS**  trans-139.5141.3131.9-84.2-161.411800110.6
313P38.9Very low33.4Very low119 Ų119161.2 Ų161.277%0.77385%0.852SS**PPolyproline II helixtrans-94.7135.517434.4-29000112
314V34.3Very low33.6Very low151 Ų151159.6 Ų159.692%0.91585%0.85SS**PPolyproline II helixtrans-85.7121.3169.3171.60000109.4
315A35.9Very low34Very low89 Ų89159.5 Ų159.574%0.73686%0.856SS**PPolyproline II helixtrans-72148176.800000112.2
316A33.8Very low34.1Very low99 Ų99160.4 Ų160.482%0.81885%0.854SS**PPolyproline II helixtrans-68.1128.6169.300000110.8
317E41.9Very low34.4Very low200 Ų200164 Ų16494%0.93587%0.868SS**PPolyproline II helixtrans-89.9139.3160.7-85.7-139.8120.700110.7
318R36.9Very low34.7Very low247 Ų247170.1 Ų170.193%0.93287%0.871SS**PPolyproline II helixtrans-62.5141.4-178.4-73.8170.6161.5-156.3-5.6112.5
319G30.8Very low35Very low68 Ų68167.9 Ų167.970%0.70187%0.872SS**  trans-107.8129.8140.800000108.4
320E39.8Very low35.7Very low191 Ų191161.4 Ų161.489%0.89387%0.867SS**  trans160.8128139.7-90180130.200110.1
321E36.7Very low35.9Very low272 Ų272166.2 Ų166.2100%1.27189%0.885SS**  trans690168.3-57.3-167.3153.100120.6

Retrieved 321 of 321 residues in 77.1 ms (Link to these results)

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