A0A087XSX0_POEFO Loading...

1-acylglycerol-3-phosphate O-acyltransferase 5 (lysophosphatidic acid acyltransferase, epsilon)

AlphaFold DB , UniProt , Accession A0A087XSX0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 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
1M62.2Low69.3Low213 Ų213107.7 Ų107.7100%1.04958%0.575SS**  0-50.60-80.5175.865.100113.1L3 S4 L5M1-L3 PolarHBondContact O-N 2.94Å; M1-S4 PolarHBondContact O-N 2.79Å; M1-L5 PolarHBondContact O-N 3.31Å
2L65.1Low70.4Confident143 Ų143106.4 Ų106.475%0.74957%0.567SS**Hα-helixtrans-61.2-44.3-178.3-130.9100.4000113.8S4 L5 V6L2-S4 VanDerWaalsContact C-N 3.34Å; L2-S4 PolarHBondContact O-N 2.88Å; L2-L5 PolarHBondContact O-N 3.22Å; L2-V6 WeakPolarHBondContact O-CG2 3.46Å; L2-V6 PolarHBondContact O-N 2.86Å
3L63Low71.7Confident142 Ų142105 Ų10574%0.74355%0.549SS*.Hα-helixtrans-61.9-40.8178.1-165.376000112.2M1 V6 V7M1-L3 PolarHBondContact O-N 2.94Å; L3-V6 PolarHBondContact O-N 3.37Å; L3-V7 WeakPolarHBondContact O-CB 3.43Å; L3-V7 VanDerWaalsContact O-CG2 3.26Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 3.24Å
4S72.2Confident73.1Confident63 Ų63102 Ų10244%0.44153%0.527SS..Hα-helixtrans-65.8-39.9175.31690000111.5M1 L2 V7 H8M1-S4 PolarHBondContact O-N 2.79Å; L2-S4 VanDerWaalsContact C-N 3.34Å; L2-S4 PolarHBondContact O-N 2.88Å; S4-V7 PolarHBondContact O-N 2.95Å; S4-H8 VanDerWaalsContact O-CB 3.31Å; S4-H8 WeakPolarHBondContact O-CB 3.42Å; S4-H8 PolarHBondContact O-CD2 3.3Å; S4-H8 PolarHBondContact O-N 3.12Å; S4-H8 PolarHBondContact OG-CD2 3.42Å
5L70.5Confident74.4Confident112 Ų112104.5 Ų104.559%0.58653%0.527SS*.Hα-helixtrans-65.4-39.1174.5-173.668.4000112.4M1 L2 H8 T9M1-L5 PolarHBondContact O-N 3.31Å; L2-L5 PolarHBondContact O-N 3.22Å; L5-H8 PolarHBondContact O-N 2.8Å; L5-T9 WeakPolarHBondContact O-CB 3.39Å; L5-T9 WeakPolarHBondContact O-CG2 3.46Å; L5-T9 PolarHBondContact O-N 3.33Å; L5-T9 PolarHBondContact O-OG1 3.39Å
6V70.8Confident75.6Confident69 Ų69105.3 Ų105.342%0.41853%0.527SS..Hα-helixtrans-66-44.8175.8172.30000110.8L2 L3 H8 T9 Y10L2-V6 WeakPolarHBondContact O-CG2 3.46Å; L2-V6 PolarHBondContact O-N 2.86Å; L3-V6 PolarHBondContact O-N 3.37Å; V6-H8 PolarHBondContact O-N 3.23Å; V6-T9 WeakPolarHBondContact CA-OG1 3.34Å; V6-T9 PolarHBondContact O-N 2.94Å; V6-T9 PolarHBondContact O-OG1 3.11Å; V6-Y10 HydrophobicContact CG1-CD2 4.11Å; V6-Y10 HydrophobicContact CG1-CE2 4.43Å; V6-Y10 WeakPolarHBondContact O-CB 3.26Å; V6-Y10 PolarHBondContact O-N 3Å
7V70.9Confident76.8Confident89 Ų8999.1 Ų99.154%0.53950%0.496SS..Hα-helixtrans-64.3-40.4175.6171.90000111.2L3 S4 Y10 S11L3-V7 WeakPolarHBondContact O-CB 3.43Å; L3-V7 VanDerWaalsContact O-CG2 3.26Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 3.24Å; S4-V7 PolarHBondContact O-N 2.95Å; V7-Y10 PolarHBondContact O-N 3.29Å; V7-S11 WeakPolarHBondContact O-CB 3.36Å; V7-S11 PolarHBondContact O-N 3.36Å; V7-S11 PolarHBondContact O-OG 2.87Å
8H71.4Confident77.8Confident108 Ų10894.7 Ų94.750%0.548%0.477SS..Hα-helixtrans-65.3-43.6175-79.4-54.3000112.6S4 L5 V6 Y10 S11 L12S4-H8 VanDerWaalsContact O-CB 3.31Å; S4-H8 WeakPolarHBondContact O-CB 3.42Å; S4-H8 PolarHBondContact O-CD2 3.3Å; S4-H8 PolarHBondContact O-N 3.12Å; S4-H8 PolarHBondContact OG-CD2 3.42Å; L5-H8 PolarHBondContact O-N 2.8Å; V6-H8 PolarHBondContact O-N 3.23Å; H8-Y10 VanDerWaalsContact C-N 3.32Å; H8-Y10 PolarHBondContact O-N 3.02Å; H8-S11 WeakPolarHBondContact CA-OG 3.27Å; H8-S11 PolarHBondContact O-N 2.9Å; H8-S11 PolarHBondContact O-OG 2.95Å; H8-L12 WeakPolarHBondContact O-CG 3.45Å; H8-L12 PolarHBondContact O-N 3.42Å; H8-L12 VanDerWaalsContact O-N 3.09Å
9T71.9Confident78.7Confident77 Ų7794.1 Ų94.147%0.47248%0.479SS..Hα-helixtrans-66.7-34.4175.948.30000112.2L5 V6 L12L5-T9 WeakPolarHBondContact O-CB 3.39Å; L5-T9 WeakPolarHBondContact O-CG2 3.46Å; L5-T9 PolarHBondContact O-N 3.33Å; L5-T9 PolarHBondContact O-OG1 3.39Å; V6-T9 WeakPolarHBondContact CA-OG1 3.34Å; V6-T9 PolarHBondContact O-N 2.94Å; V6-T9 PolarHBondContact O-OG1 3.11Å; T9-L12 PolarHBondContact O-N 2.9Å
10Y72.8Confident79.5Confident117 Ų11792 Ų9246%0.45947%0.468SS..Hα-helixtrans-63.6-51172.1-107.1-93.9000112.4V6 V7 H8 L12 R13V6-Y10 HydrophobicContact CG1-CD2 4.11Å; V6-Y10 HydrophobicContact CG1-CE2 4.43Å; V6-Y10 WeakPolarHBondContact O-CB 3.26Å; V6-Y10 PolarHBondContact O-N 3Å; V7-Y10 PolarHBondContact O-N 3.29Å; H8-Y10 VanDerWaalsContact C-N 3.32Å; H8-Y10 PolarHBondContact O-N 3.02Å; Y10-L12 PolarHBondContact O-N 3.06Å; Y10-L12 VanDerWaalsContact O-N 3.15Å; Y10-R13 VanDerWaalsContact CZ-NH1 3.25Å; Y10-R13 VanDerWaalsContact O-CB 3.27Å; Y10-R13 WeakPolarHBondContact O-CB 3.37Å; Y10-R13 VanDerWaalsContact O-CG 3.26Å; Y10-R13 WeakPolarHBondContact O-CG 3.4Å; Y10-R13 PolarHBondContact O-N 3.38Å; Y10-R13 PolarHBondContact OH-NH1 3.32Å; Y10-R13 PolarHBondContact OH-NH2 3.24Å
11S71.7Confident80.3Confident52 Ų5288.3 Ų88.336%0.36445%0.449SS..Hα-helixtrans-65.5-14.4178.453.40000113.6V7 H8 Y14V7-S11 WeakPolarHBondContact O-CB 3.36Å; V7-S11 PolarHBondContact O-N 3.36Å; V7-S11 PolarHBondContact O-OG 2.87Å; H8-S11 WeakPolarHBondContact CA-OG 3.27Å; H8-S11 PolarHBondContact O-N 2.9Å; H8-S11 PolarHBondContact O-OG 2.95Å; S11-Y14 WeakPolarHBondContact O-CD1 3.4Å; S11-Y14 WeakPolarHBondContact O-CE1 3.38Å
12L82.2Confident81.9Confident92 Ų9282.4 Ų82.448%0.48242%0.422SS..THydrogen-bonded Turntrans-91.9-3.1173.5-67.8173000113.7H8 T9 Y10 Y14 W15H8-L12 WeakPolarHBondContact O-CG 3.45Å; H8-L12 PolarHBondContact O-N 3.42Å; H8-L12 VanDerWaalsContact O-N 3.09Å; T9-L12 PolarHBondContact O-N 2.9Å; Y10-L12 PolarHBondContact O-N 3.06Å; Y10-L12 VanDerWaalsContact O-N 3.15Å; L12-Y14 PolarHBondContact O-N 3.38Å; L12-Y14 VanDerWaalsContact O-N 3.15Å; L12-W15 HydrophobicContact CD2-CG 4.32Å; L12-W15 VanDerWaalsContact CD2-NE1 3.31Å; L12-W15 VanDerWaalsContact O-CB 3.29Å; L12-W15 WeakPolarHBondContact O-CB 3.47Å; L12-W15 PolarHBondContact O-N 3.21Å
13R86.9Confident83.4Confident88 Ų8876.2 Ų76.233%0.33239%0.392SS..THydrogen-bonded Turntrans-60.2-27.8-177.6-75.2177.5175.6-169.9-0.1113.9Y10 W15 P17 Y69Y10-R13 VanDerWaalsContact CZ-NH1 3.25Å; Y10-R13 VanDerWaalsContact O-CB 3.27Å; Y10-R13 WeakPolarHBondContact O-CB 3.37Å; Y10-R13 VanDerWaalsContact O-CG 3.26Å; Y10-R13 WeakPolarHBondContact O-CG 3.4Å; Y10-R13 PolarHBondContact O-N 3.38Å; Y10-R13 PolarHBondContact OH-NH1 3.32Å; Y10-R13 PolarHBondContact OH-NH2 3.24Å; R13-W15 VanDerWaalsContact C-N 3.26Å; R13-W15 PolarHBondContact O-N 2.97Å; R13-P17 WeakPolarHBondContact O-CD 3.5Å; R13-Y69 PolarHBondContact O-OH 3.28Å
14Y91.6Very high85Confident63 Ų6369.6 Ų69.625%0.24736%0.357CS..THydrogen-bonded Turntrans-71.2-18.9175.380.8-87.7000113.2S11 L12 F16 P17 A18 T250S11-Y14 WeakPolarHBondContact O-CD1 3.4Å; S11-Y14 WeakPolarHBondContact O-CE1 3.38Å; L12-Y14 PolarHBondContact O-N 3.38Å; L12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-F16 VanDerWaalsContact C-N 3.35Å; Y14-F16 PolarHBondContact O-N 3.18Å; Y14-P17 VanDerWaalsContact O-CD 3.23Å; Y14-P17 WeakPolarHBondContact O-CD 3.44Å; Y14-P17 VanDerWaalsContact O-CG 3.23Å; Y14-P17 WeakPolarHBondContact O-CG 3.4Å; Y14-A18 HydrophobicContact CD2-CB 4.19Å; Y14-A18 WeakPolarHBondContact O-CB 3.24Å; Y14-A18 PolarHBondContact O-N 3.4Å; Y14-T250 HydrophobicContact CD1-CG2 3.39Å; Y14-T250 HydrophobicContact CD2-CG2 4.23Å; Y14-T250 HydrophobicContact CE1-CG2 3.66Å; Y14-T250 HydrophobicContact CE2-CG2 4.48Å; Y14-T250 HydrophobicContact CG-CG2 3.68Å
15W93.3Very high86.2Confident139 Ų13966.6 Ų66.653%0.52734%0.336SS..Hα-helixtrans-63.7-41.2-177.9-86.482.4000112L12 R13 T19L12-W15 HydrophobicContact CD2-CG 4.32Å; L12-W15 VanDerWaalsContact CD2-NE1 3.31Å; L12-W15 VanDerWaalsContact O-CB 3.29Å; L12-W15 WeakPolarHBondContact O-CB 3.47Å; L12-W15 PolarHBondContact O-N 3.21Å; R13-W15 VanDerWaalsContact C-N 3.26Å; R13-W15 PolarHBondContact O-N 2.97Å; W15-T19 WeakPolarHBondContact O-CA 3.37Å; W15-T19 WeakPolarHBondContact O-CB 3.41Å; W15-T19 PolarHBondContact O-N 2.74Å; W15-T19 PolarHBondContact O-OG1 3.47Å
16F93.4Very high87.5Confident118 Ų11861.2 Ų61.252%0.51831%0.309SS..Hα-helixtrans-58.5-58.3177.4175-104.5000112.6Y14 A18 T19 I20 F65 Y69Y14-F16 VanDerWaalsContact C-N 3.35Å; Y14-F16 PolarHBondContact O-N 3.18Å; F16-A18 PolarHBondContact O-N 3.03Å; F16-T19 PolarHBondContact O-N 3.2Å; F16-I20 HydrophobicContact CD1-CD1 4.39Å; F16-I20 HydrophobicContact CD2-CD1 4.07Å; F16-I20 HydrophobicContact CE1-CD1 3.83Å; F16-I20 HydrophobicContact CE2-CD1 3.47Å; F16-I20 VanDerWaalsContact CE2-CD1 3.47Å; F16-I20 HydrophobicContact CE2-CG1 4.44Å; F16-I20 HydrophobicContact CZ-CD1 3.33Å; F16-I20 WeakPolarHBondContact O-CG1 3.48Å; F16-I20 PolarHBondContact O-N 3.11Å; F16-I20 VanDerWaalsContact O-N 3.12Å; F16-F65 HydrophobicContact CD1-CE1 4.44Å; F16-F65 HydrophobicContact CE1-CE1 4.06Å; F16-Y69 HydrophobicContact CD1-CE2 4.18Å; F16-Y69 HydrophobicContact CE1-CE2 4.42Å
17P95.5Very high88.7Confident0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-62.6-41.3177.424-32.7000112.1R13 Y14 T19 I20 M21 F65 Y69 L253R13-P17 WeakPolarHBondContact O-CD 3.5Å; Y14-P17 VanDerWaalsContact O-CD 3.23Å; Y14-P17 WeakPolarHBondContact O-CD 3.44Å; Y14-P17 VanDerWaalsContact O-CG 3.23Å; Y14-P17 WeakPolarHBondContact O-CG 3.4Å; P17-T19 PolarHBondContact O-N 2.84Å; P17-I20 PolarHBondContact O-N 2.83Å; P17-M21 HydrophobicContact CB-CE 4.34Å; P17-M21 WeakPolarHBondContact O-CB 3.28Å; P17-M21 VanDerWaalsContact O-CG 3.29Å; P17-M21 WeakPolarHBondContact O-CG 3.34Å; P17-M21 PolarHBondContact O-N 3.49Å; P17-F65 HydrophobicContact CB-CB 3.9Å; P17-F65 HydrophobicContact CB-CD1 3.38Å; P17-F65 HydrophobicContact CB-CE1 4Å; P17-F65 HydrophobicContact CB-CG 3.69Å; P17-Y69 HydrophobicContact CB-CE1 4.45Å; P17-Y69 HydrophobicContact CG-CD1 4.47Å; P17-Y69 HydrophobicContact CG-CE1 3.95Å; P17-L253 HydrophobicContact CB-CD1 4.47Å; P17-L253 HydrophobicContact CB-CD2 4.03Å; P17-L253 HydrophobicContact CG-CB 4.12Å; P17-L253 HydrophobicContact CG-CD1 4.2Å; P17-L253 HydrophobicContact CG-CD2 4.06Å; P17-L253 HydrophobicContact CG-CG 4.36Å
18A94.9Very high90Very high20 Ų2054.2 Ų54.217%0.16527%0.266CS..Hα-helixtrans-63.2-41.417900000112.3Y14 F16 L22Y14-A18 HydrophobicContact CD2-CB 4.19Å; Y14-A18 WeakPolarHBondContact O-CB 3.24Å; Y14-A18 PolarHBondContact O-N 3.4Å; F16-A18 PolarHBondContact O-N 3.03Å; A18-L22 VanDerWaalsContact O-CB 3.27Å; A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 2.65Å
19T94.4Very high91.2Very high82 Ų8249.6 Ų49.650%0.50325%0.245SC..Hα-helixtrans-64.4-41.1178.2-61.40000111W15 F16 P17 G23W15-T19 WeakPolarHBondContact O-CA 3.37Å; W15-T19 WeakPolarHBondContact O-CB 3.41Å; W15-T19 PolarHBondContact O-N 2.74Å; W15-T19 PolarHBondContact O-OG1 3.47Å; F16-T19 PolarHBondContact O-N 3.2Å; P17-T19 PolarHBondContact O-N 2.84Å; T19-G23 WeakPolarHBondContact O-CA 3.42Å; T19-G23 PolarHBondContact O-N 2.88Å
20I95.6Very high92.3Very high52 Ų5248.6 Ų48.627%0.26724%0.237SC..Hα-helixtrans-69.3-51177.2-64.8173.4000110.4F16 P17 L22 G23 T24 F65F16-I20 HydrophobicContact CD1-CD1 4.39Å; F16-I20 HydrophobicContact CD2-CD1 4.07Å; F16-I20 HydrophobicContact CE1-CD1 3.83Å; F16-I20 HydrophobicContact CE2-CD1 3.47Å; F16-I20 VanDerWaalsContact CE2-CD1 3.47Å; F16-I20 HydrophobicContact CE2-CG1 4.44Å; F16-I20 HydrophobicContact CZ-CD1 3.33Å; F16-I20 WeakPolarHBondContact O-CG1 3.48Å; F16-I20 PolarHBondContact O-N 3.11Å; F16-I20 VanDerWaalsContact O-N 3.12Å; P17-I20 PolarHBondContact O-N 2.83Å; I20-L22 PolarHBondContact O-N 2.82Å; I20-G23 PolarHBondContact O-N 3.35Å; I20-T24 HydrophobicContact CG2-CG2 4.43Å; I20-T24 VanDerWaalsContact O-CG2 3.28Å; I20-T24 WeakPolarHBondContact O-CG2 3.47Å; I20-T24 PolarHBondContact O-N 3.32Å; I20-T24 PolarHBondContact O-OG1 3.36Å; I20-F65 HydrophobicContact CB-CE2 3.97Å; I20-F65 HydrophobicContact CB-CZ 3.73Å; I20-F65 HydrophobicContact CD1-CE1 4.18Å; I20-F65 HydrophobicContact CD1-CZ 3.66Å; I20-F65 HydrophobicContact CG1-CZ 4.28Å; I20-F65 HydrophobicContact CG2-CE2 3.65Å; I20-F65 HydrophobicContact CG2-CZ 3.63Å
21M96.3Very high93.5Very high15 Ų1545.1 Ų45.17%0.07423%0.229CC..Hα-helixtrans-58.4-53.6-178.1-70.3-173.2-65.500111.3P17 G23 T24 Y58 M61 V62 F65 F66 L253P17-M21 HydrophobicContact CB-CE 4.34Å; P17-M21 WeakPolarHBondContact O-CB 3.28Å; P17-M21 VanDerWaalsContact O-CG 3.29Å; P17-M21 WeakPolarHBondContact O-CG 3.34Å; P17-M21 PolarHBondContact O-N 3.49Å; M21-G23 VanDerWaalsContact C-N 3.35Å; M21-G23 PolarHBondContact O-N 2.83Å; M21-T24 PolarHBondContact O-N 2.85Å; M21-T24 PolarHBondContact O-OG1 2.65Å; M21-Y58 PolarHBondContact O-OH 2.93Å; M21-Y58 VanDerWaalsContact O-OH 3.05Å; M21-M61 HydrophobicContact CB-CE 4.23Å; M21-M61 HydrophobicContact CG-CE 4.16Å; M21-V62 HydrophobicContact SD-CB 4.23Å; M21-V62 HydrophobicContact SD-CG1 4Å; M21-V62 HydrophobicContact SD-CG2 4.12Å; M21-F65 HydrophobicContact CE-CB 4.46Å; M21-F65 HydrophobicContact CG-CD2 3.48Å; M21-F65 VanDerWaalsContact CG-CD2 3.48Å; M21-F65 HydrophobicContact CG-CE2 4Å; M21-F65 HydrophobicContact CG-CG 4.27Å; M21-F65 HydrophobicContact SD-CB 4.01Å; M21-F65 HydrophobicContact SD-CD2 4.01Å; M21-F65 HydrophobicContact SD-CG 4.36Å; M21-F66 HydrophobicContact CE-CE2 3.8Å; M21-F66 HydrophobicContact SD-CD2 4.18Å; M21-F66 HydrophobicContact SD-CE2 3.87Å; M21-L253 HydrophobicContact CE-CD1 3.83Å; M21-L253 HydrophobicContact CE-CD2 4.35Å
22L95.4Very high94.7Very high90 Ų9043.3 Ų43.347%0.47121%0.214SC..Hα-helixtrans-68-37.6178.1-62.8176.1000111.5A18 I20 T24 A25 Y129 W351A18-L22 VanDerWaalsContact O-CB 3.27Å; A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 2.65Å; I20-L22 PolarHBondContact O-N 2.82Å; L22-T24 PolarHBondContact O-N 3.48Å; L22-A25 WeakPolarHBondContact O-CB 3.29Å; L22-A25 PolarHBondContact O-N 2.8Å; L22-Y129 HydrophobicContact CD2-CE2 4.11Å; L22-Y129 WeakPolarHBondContact CD2-OH 3.33Å; L22-W351 VanDerWaalsContact O-CZ2 3.29Å; L22-W351 WeakPolarHBondContact O-CZ2 3.33Å
23G96.3Very high95.3Very high12 Ų1240 Ų4012%0.12420%0.202CC..Hα-helixtrans-63.3-25.8-178.400000113.8T19 I20 M21 A25 P26 T334 Y347T19-G23 WeakPolarHBondContact O-CA 3.42Å; T19-G23 PolarHBondContact O-N 2.88Å; I20-G23 PolarHBondContact O-N 3.35Å; M21-G23 VanDerWaalsContact C-N 3.35Å; M21-G23 PolarHBondContact O-N 2.83Å; G23-A25 VanDerWaalsContact C-N 3.32Å; G23-P26 WeakPolarHBondContact O-CD 3.37Å; G23-T334 WeakPolarHBondContact O-CG2 3.39Å; G23-Y347 WeakPolarHBondContact CA-OH 3.39Å; G23-Y347 WeakPolarHBondContact O-CE2 3.35Å; G23-Y347 PolarHBondContact O-OH 3Å
24T97.4Very high95.7Very high3 Ų339.9 Ų39.92%0.01821%0.211CC..THydrogen-bonded Turntrans-82.7-8176.561.40000113.8I20 M21 L22 A27 Y28 M61 L330 T334I20-T24 HydrophobicContact CG2-CG2 4.43Å; I20-T24 VanDerWaalsContact O-CG2 3.28Å; I20-T24 WeakPolarHBondContact O-CG2 3.47Å; I20-T24 PolarHBondContact O-N 3.32Å; I20-T24 PolarHBondContact O-OG1 3.36Å; M21-T24 PolarHBondContact O-N 2.85Å; M21-T24 PolarHBondContact O-OG1 2.65Å; L22-T24 PolarHBondContact O-N 3.48Å; T24-A27 PolarHBondContact O-N 3.02Å; T24-Y28 PolarHBondContact O-N 3.5Å; T24-M61 HydrophobicContact CG2-SD 3.86Å; T24-M61 VanDerWaalsContact OG1-CE 3.31Å; T24-M61 WeakPolarHBondContact OG1-CE 3.45Å; T24-M61 PolarHBondContact OG1-SD 3.05Å; T24-M61 VanDerWaalsContact OG1-SD 3.39Å; T24-L330 HydrophobicContact CG2-CB 3.88Å; T24-T334 WeakPolarHBondContact CA-OG1 3.48Å; T24-T334 WeakPolarHBondContact CG2-OG1 3.37Å
25A96.9Very high95.9Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-59.7-40-175.500000114.2L22 G23 Y28 V29 L128 Y129 W351L22-A25 WeakPolarHBondContact O-CB 3.29Å; L22-A25 PolarHBondContact O-N 2.8Å; G23-A25 VanDerWaalsContact C-N 3.32Å; A25-Y28 WeakPolarHBondContact O-CB 3.43Å; A25-Y28 PolarHBondContact O-N 3.18Å; A25-V29 WeakPolarHBondContact O-CB 3.18Å; A25-V29 WeakPolarHBondContact O-CG2 3.25Å; A25-V29 PolarHBondContact O-N 3.49Å; A25-L128 HydrophobicContact CB-CD1 3.99Å; A25-Y129 HydrophobicContact CB-CE1 4.26Å; A25-Y129 HydrophobicContact CB-CE2 4.45Å; A25-Y129 VanDerWaalsContact CB-OH 3.28Å; A25-Y129 WeakPolarHBondContact CB-OH 3.44Å; A25-W351 HydrophobicContact CB-CH2 4.09Å; A25-W351 HydrophobicContact CB-CZ2 4.07Å
26P97.5Very high95.9Very high0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-61.6-45.4174.5-30.541.5000113.6G23 Y28 V29 L30 L128 M337 Y347 T350 W351G23-P26 WeakPolarHBondContact O-CD 3.37Å; P26-Y28 VanDerWaalsContact C-N 3.26Å; P26-Y28 PolarHBondContact O-N 2.95Å; P26-V29 PolarHBondContact O-N 3.29Å; P26-L30 WeakPolarHBondContact O-CB 3.48Å; P26-L30 VanDerWaalsContact O-CG 3.25Å; P26-L30 WeakPolarHBondContact O-CG 3.23Å; P26-L30 PolarHBondContact O-N 3.48Å; P26-L128 HydrophobicContact CG-CD1 4.21Å; P26-M337 HydrophobicContact CB-CE 4.14Å; P26-Y347 HydrophobicContact CB-CD2 3.8Å; P26-Y347 HydrophobicContact CB-CE2 3.95Å; P26-Y347 HydrophobicContact CB-CG 4.44Å; P26-Y347 HydrophobicContact CG-CD2 3.77Å; P26-Y347 HydrophobicContact CG-CE1 4.37Å; P26-Y347 HydrophobicContact CG-CE2 3.47Å; P26-Y347 VanDerWaalsContact CG-CE2 3.47Å; P26-Y347 HydrophobicContact CG-CG 4.32Å; P26-T350 HydrophobicContact CB-CG2 3.83Å; P26-W351 HydrophobicContact CG-CD2 4.26Å; P26-W351 HydrophobicContact CG-CG 4.09Å; P26-W351 HydrophobicContact CG-CZ2 4.38Å
27A97.1Very high96Very high4 Ų437 Ų373%0.03321%0.205CC..Hα-helixtrans-60.9-41.2177.700000110.7T24 S31 L333 T334 M337T24-A27 PolarHBondContact O-N 3.02Å; A27-S31 WeakPolarHBondContact O-CB 3.46Å; A27-S31 PolarHBondContact O-N 3.09Å; A27-S31 PolarHBondContact O-OG 3.43Å; A27-L333 HydrophobicContact CB-CB 4.13Å; A27-T334 WeakPolarHBondContact CB-OG1 3.4Å; A27-M337 HydrophobicContact CB-SD 3.86Å
28Y97.2Very high95.9Very high7 Ų742.2 Ų42.23%0.02723%0.233CC..Hα-helixtrans-60.8-54.8174.5-178.5-100.1000112.7T24 A25 P26 L30 S31 W32 L54 Y55 Y58 Y132T24-Y28 PolarHBondContact O-N 3.5Å; A25-Y28 WeakPolarHBondContact O-CB 3.43Å; A25-Y28 PolarHBondContact O-N 3.18Å; P26-Y28 VanDerWaalsContact C-N 3.26Å; P26-Y28 PolarHBondContact O-N 2.95Å; Y28-L30 VanDerWaalsContact C-N 3.31Å; Y28-L30 PolarHBondContact O-N 3.34Å; Y28-S31 WeakPolarHBondContact O-CB 3.48Å; Y28-S31 PolarHBondContact O-N 3.22Å; Y28-S31 VanDerWaalsContact O-N 3.16Å; Y28-W32 WeakPolarHBondContact O-CB 3.38Å; Y28-W32 PolarHBondContact O-N 3.46Å; Y28-L54 HydrophobicContact CE2-CB 3.94Å; Y28-L54 WeakPolarHBondContact CE2-O 3.28Å; Y28-Y55 WeakPolarHBondContact OH-CA 3.4Å; Y28-Y55 PolarHBondContact OH-N 3.24Å; Y28-Y58 HydrophobicContact CD1-CD2 4.16Å; Y28-Y58 AromaticContact CD2-CD2 3.54Å; Y28-Y58 HydrophobicContact CD2-CD2 3.54Å; Y28-Y58 AromaticContact CD2-CG 4Å; Y28-Y58 HydrophobicContact CD2-CG 4Å; Y28-Y58 HydrophobicContact CE2-CD2 4.14Å; Y28-Y58 HydrophobicContact CE2-CG 4.12Å; Y28-Y58 AromaticContact CG-CD2 3.54Å; Y28-Y58 HydrophobicContact CG-CD2 3.54Å; Y28-Y58 HydrophobicContact CG-CE2 4.11Å; Y28-Y58 HydrophobicContact CG-CG 4.24Å; Y28-Y132 HydrophobicContact CE1-CD1 4.3Å; Y28-Y132 HydrophobicContact CE1-CD2 4.02Å; Y28-Y132 HydrophobicContact CE1-CE1 4.06Å; Y28-Y132 AromaticContact CE1-CE2 3.72Å; Y28-Y132 HydrophobicContact CE1-CE2 3.72Å; Y28-Y132 HydrophobicContact CE1-CG 4.32Å; Y28-Y132 AromaticContact CE1-CZ 3.8Å; Y28-Y132 AromaticContact CZ-CE2 3.98Å; Y28-Y132 AromaticContact CZ-CZ 3.82Å; Y28-Y132 WeakPolarHBondContact OH-CE2 3.38Å; Y28-Y132 PolarHBondContact OH-OH 3.11Å
29V96.3Very high95.9Very high11 Ų1141.6 Ų41.67%0.06723%0.227CC..Hα-helixtrans-64.3-35.9-177.1169.50000111.9A25 P26 W32 G33 L128 W131A25-V29 WeakPolarHBondContact O-CB 3.18Å; A25-V29 WeakPolarHBondContact O-CG2 3.25Å; A25-V29 PolarHBondContact O-N 3.49Å; P26-V29 PolarHBondContact O-N 3.29Å; V29-W32 HydrophobicContact CG1-CE3 4.42Å; V29-G33 PolarHBondContact O-N 2.99Å; V29-L128 HydrophobicContact CG2-CB 4.1Å; V29-W131 HydrophobicContact CG1-CZ2 4.22Å
30L96.6Very high95.8Very high56 Ų5642.8 Ų42.829%0.29323%0.234SC..Hα-helixtrans-65.2-45.8173.3-72.2169.9000111.4P26 Y28 W32 G33 V34 M337 L346 T350P26-L30 WeakPolarHBondContact O-CB 3.48Å; P26-L30 VanDerWaalsContact O-CG 3.25Å; P26-L30 WeakPolarHBondContact O-CG 3.23Å; P26-L30 PolarHBondContact O-N 3.48Å; Y28-L30 VanDerWaalsContact C-N 3.31Å; Y28-L30 PolarHBondContact O-N 3.34Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 3.39Å; L30-G33 PolarHBondContact O-N 3.01Å; L30-V34 WeakPolarHBondContact O-CG2 3.19Å; L30-V34 PolarHBondContact O-N 3.37Å; L30-M337 HydrophobicContact CD1-CE 3.44Å; L30-M337 VanDerWaalsContact CD1-CE 3.44Å; L30-M337 HydrophobicContact CD1-SD 4.21Å; L30-L346 HydrophobicContact CD1-CD1 4.31Å; L30-L346 HydrophobicContact CD1-CD2 3.98Å; L30-L346 HydrophobicContact CD1-CG 3.95Å; L30-L346 HydrophobicContact CD2-CD1 4.4Å; L30-T350 HydrophobicContact CD1-CG2 4.47Å; L30-T350 HydrophobicContact CD2-CG2 4.3Å; L30-T350 HydrophobicContact CG-CG2 4Å
31S96.5Very high95.7Very high44 Ų4446.2 Ų46.231%0.30826%0.257SS..Hα-helixtrans-60.5-45.2177.4-57.70000111.4A27 Y28 W35A27-S31 WeakPolarHBondContact O-CB 3.46Å; A27-S31 PolarHBondContact O-N 3.09Å; A27-S31 PolarHBondContact O-OG 3.43Å; Y28-S31 WeakPolarHBondContact O-CB 3.48Å; Y28-S31 PolarHBondContact O-N 3.22Å; Y28-S31 VanDerWaalsContact O-N 3.16Å; S31-W35 PolarHBondContact O-N 3.36Å; S31-W35 VanDerWaalsContact O-N 3.1Å
32W96.9Very high95.6Very high13 Ų1349 Ų495%0.04927%0.272CS..Hα-helixtrans-62.7-43.5173.6169.877.1000112.3Y28 V29 L30 W35 R36 Y47 D51 L54 W131 Y132 Q135Y28-W32 WeakPolarHBondContact O-CB 3.38Å; Y28-W32 PolarHBondContact O-N 3.46Å; V29-W32 HydrophobicContact CG1-CE3 4.42Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 3.39Å; W32-W35 PolarHBondContact O-N 3.25Å; W32-R36 WeakPolarHBondContact O-CB 3.35Å; W32-R36 PolarHBondContact O-N 2.99Å; W32-Y47 PolarHBondContact NE1-OH 3.04Å; W32-D51 PolarHBondContact NE1-OD1 2.96Å; W32-L54 HydrophobicContact CB-CD1 4.23Å; W32-W131 HydrophobicContact CH2-CZ2 4.41Å; W32-W131 AromaticContact CZ3-CE2 3.94Å; W32-W131 HydrophobicContact CZ3-CH2 4.15Å; W32-W131 AromaticContact CZ3-CZ2 3.69Å; W32-W131 HydrophobicContact CZ3-CZ2 3.69Å; W32-Y132 AromaticContact CD1-CD2 3.98Å; W32-Y132 AromaticContact CD1-CE2 3.54Å; W32-Y132 AromaticContact CD2-CD2 3.78Å; W32-Y132 HydrophobicContact CD2-CD2 3.78Å; W32-Y132 HydrophobicContact CD2-CE2 4.15Å; W32-Y132 AromaticContact CE2-CD2 3.75Å; W32-Y132 HydrophobicContact CE3-CD2 4.33Å; W32-Y132 AromaticContact CG-CD2 3.94Å; W32-Y132 HydrophobicContact CG-CD2 3.94Å; W32-Y132 AromaticContact CG-CE2 3.85Å; W32-Y132 HydrophobicContact CG-CE2 3.85Å; W32-Y132 HydrophobicContact CZ2-CD2 4.28Å; W32-Y132 AromaticContact NE1-CD2 3.84Å; W32-Y132 AromaticContact NE1-CE2 3.64Å; W32-Q135 HydrophobicContact CH2-CG 4.14Å; W32-Q135 HydrophobicContact CZ2-CB 3.87Å; W32-Q135 HydrophobicContact CZ2-CG 3.83Å
33G95.6Very high95.3Very high22 Ų2248.1 Ų48.123%0.22727%0.271CS..Hα-helixtrans-63.1-43.8179.700000112.6V29 L30 W35 R36 L37V29-G33 PolarHBondContact O-N 2.99Å; L30-G33 PolarHBondContact O-N 3.01Å; G33-W35 VanDerWaalsContact C-N 3.34Å; G33-W35 PolarHBondContact O-N 3.07Å; G33-R36 PolarHBondContact O-N 2.88Å; G33-L37 WeakPolarHBondContact O-CG 3.39Å; G33-L37 PolarHBondContact O-N 3.01Å
34V95.8Very high94.8Very high86 Ų8650.2 Ų50.252%0.52129%0.288SS..Hα-helixtrans-58.1-48.6172.4169.90000110.1L30 R36 L37 L38L30-V34 WeakPolarHBondContact O-CG2 3.19Å; L30-V34 PolarHBondContact O-N 3.37Å; V34-R36 VanDerWaalsContact C-N 3.35Å; V34-R36 PolarHBondContact O-N 2.96Å; V34-L37 PolarHBondContact O-N 2.9Å; V34-L38 HydrophobicContact CG1-CD1 3.79Å; V34-L38 HydrophobicContact CG1-CG 4.33Å; V34-L38 VanDerWaalsContact O-CG 3.32Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.1Å
35W95.7Very high94.3Very high41 Ų4158.2 Ų58.216%0.15532%0.317CS..Hα-helixtrans-62.4-41.7177.7175.3-121.6000112.9S31 W32 G33 L37 L38 S39 L42 F46 Y47 L50 L54S31-W35 PolarHBondContact O-N 3.36Å; S31-W35 VanDerWaalsContact O-N 3.1Å; W32-W35 PolarHBondContact O-N 3.25Å; G33-W35 VanDerWaalsContact C-N 3.34Å; G33-W35 PolarHBondContact O-N 3.07Å; W35-L37 VanDerWaalsContact C-N 3.27Å; W35-L37 PolarHBondContact O-N 3.2Å; W35-L38 HydrophobicContact CE3-CB 4.32Å; W35-L38 PolarHBondContact O-N 3.49Å; W35-S39 VanDerWaalsContact O-CB 3.28Å; W35-S39 WeakPolarHBondContact O-CB 3.32Å; W35-S39 PolarHBondContact O-N 3.27Å; W35-S39 PolarHBondContact O-OG 2.87Å; W35-L42 HydrophobicContact CH2-CD1 3.95Å; W35-L42 HydrophobicContact CZ3-CD1 4.43Å; W35-F46 HydrophobicContact CZ2-CB 4.46Å; W35-F46 WeakPolarHBondContact CZ2-O 3.32Å; W35-Y47 AromaticContact CD1-CD2 3.94Å; W35-Y47 AromaticContact NE1-CD2 3.71Å; W35-Y47 PolarHBondContact NE1-O 3.39Å; W35-Y47 VanDerWaalsContact NE1-O 3.11Å; W35-L50 HydrophobicContact CB-CD2 4.34Å; W35-L50 HydrophobicContact CD2-CB 4.19Å; W35-L50 HydrophobicContact CD2-CD2 3.23Å; W35-L50 HydrophobicContact CD2-CG 4.19Å; W35-L50 VanDerWaalsContact CE2-CD2 3.49Å; W35-L50 HydrophobicContact CE3-CD2 3.42Å; W35-L50 VanDerWaalsContact CE3-CD2 3.42Å; W35-L50 HydrophobicContact CG-CD2 3.63Å; W35-L50 HydrophobicContact CG-CG 4.37Å; W35-L50 HydrophobicContact CH2-CB 4.44Å; W35-L50 HydrophobicContact CH2-CD2 4.05Å; W35-L50 HydrophobicContact CZ2-CB 3.66Å; W35-L50 HydrophobicContact CZ2-CD2 3.89Å; W35-L50 HydrophobicContact CZ2-CG 4.4Å; W35-L50 HydrophobicContact CZ3-CD2 3.83Å; W35-L54 HydrophobicContact CB-CD1 4.33Å
36R93.5Very high94Very high97 Ų9762.5 Ų62.537%0.36634%0.336SS..Hα-helixtrans-58.9-41.1178.1-177.961.6178.7171.9-0.9111.2W32 G33 V34 S39 T40 Y47W32-R36 WeakPolarHBondContact O-CB 3.35Å; W32-R36 PolarHBondContact O-N 2.99Å; G33-R36 PolarHBondContact O-N 2.88Å; V34-R36 VanDerWaalsContact C-N 3.35Å; V34-R36 PolarHBondContact O-N 2.96Å; R36-S39 PolarHBondContact O-OG 3Å; R36-T40 WeakPolarHBondContact O-CG2 3.38Å; R36-Y47 HydrophobicContact CB-CE2 4.37Å; R36-Y47 HydrophobicContact CG-CE2 4.48Å
37L94.4Very high93.7Very high123 Ų12362.8 Ų62.864%0.64434%0.338SS*.Hα-helixtrans-68-50.6175.8-69172.1000111.7G33 V34 W35 S39 T40G33-L37 WeakPolarHBondContact O-CG 3.39Å; G33-L37 PolarHBondContact O-N 3.01Å; V34-L37 PolarHBondContact O-N 2.9Å; W35-L37 VanDerWaalsContact C-N 3.27Å; W35-L37 PolarHBondContact O-N 3.2Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 3.45Å; L37-T40 WeakPolarHBondContact O-CB 3.13Å; L37-T40 WeakPolarHBondContact O-CG2 3.32Å; L37-T40 PolarHBondContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.35Å
38L94.4Very high93.3Very high109 Ų10963.8 Ų63.857%0.57134%0.341SS*.Hα-helixtrans-62.6-32.7-178.5-68.3176.1000112.9V34 W35 T40 V41V34-L38 HydrophobicContact CG1-CD1 3.79Å; V34-L38 HydrophobicContact CG1-CG 4.33Å; V34-L38 VanDerWaalsContact O-CG 3.32Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.1Å; W35-L38 HydrophobicContact CE3-CB 4.32Å; W35-L38 PolarHBondContact O-N 3.49Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.89Å; L38-V41 WeakPolarHBondContact O-CG2 3.2Å
39S94.2Very high93.1Very high6 Ų670.1 Ų70.14%0.04237%0.369CS..G310 helixtrans-82.2-4.9-179.4590000114.6W35 R36 L37 V41 L42 Y47W35-S39 VanDerWaalsContact O-CB 3.28Å; W35-S39 WeakPolarHBondContact O-CB 3.32Å; W35-S39 PolarHBondContact O-N 3.27Å; W35-S39 PolarHBondContact O-OG 2.87Å; R36-S39 PolarHBondContact O-OG 3Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 3.45Å; S39-V41 PolarHBondContact O-N 3.25Å; S39-L42 PolarHBondContact O-N 3.06Å; S39-Y47 WeakPolarHBondContact OG-CD2 3.29Å
40T92.8Very high92.9Very high107 Ų10772.9 Ų72.966%0.65638%0.383SS*.G310 helixtrans-60.1-28.8176.855.10000113.4R36 L37 L38R36-T40 WeakPolarHBondContact O-CG2 3.38Å; L37-T40 WeakPolarHBondContact O-CB 3.13Å; L37-T40 WeakPolarHBondContact O-CG2 3.32Å; L37-T40 PolarHBondContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.35Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.89Å
41V93.7Very high92.9Very high124 Ų12470.2 Ų70.275%0.75237%0.369SS*.G310 helixtrans-92.3-0.6177.9-59.50000113L38 S39L38-V41 WeakPolarHBondContact O-CG2 3.2Å; S39-V41 PolarHBondContact O-N 3.25Å
42L92.5Very high92.8Very high75 Ų7568.4 Ų68.439%0.39336%0.356SS..SBendtrans-107.5156.3-177.4-58.6-179.5000111.1W35 S39 A44 F46W35-L42 HydrophobicContact CH2-CD1 3.95Å; W35-L42 HydrophobicContact CZ3-CD1 4.43Å; S39-L42 PolarHBondContact O-N 3.06Å; L42-A44 PolarHBondContact O-N 3.18Å; L42-F46 HydrophobicContact CB-CB 4.33Å; L42-F46 HydrophobicContact CB-CD2 4.41Å; L42-F46 HydrophobicContact CD1-CB 4.4Å
43P89.9Confident92.8Very high70 Ų7075.2 Ų75.246%0.45538%0.382SS..  trans-55.2139.7170-26.633.8000112.3R45 F46P43-R45 HydrophobicContact CB-CG 4.13Å; P43-R45 PolarHBondContact O-N 2.98Å; P43-F46 HydrophobicContact CB-CD2 3.93Å; P43-F46 HydrophobicContact CB-CE2 4.2Å; P43-F46 HydrophobicContact CG-CD2 4.02Å; P43-F46 HydrophobicContact CG-CE2 3.97Å; P43-F46 WeakPolarHBondContact O-CB 3.3Å; P43-F46 PolarHBondContact O-N 2.74Å
44A86.4Confident92.9Very high56 Ų5675.5 Ų75.546%0.46338%0.378SS..Hα-helixtrans-52.6-31.6-174.300000114.4L42 F46 Y47 H48L42-A44 PolarHBondContact O-N 3.18Å; A44-F46 PolarHBondContact O-N 2.79Å; A44-Y47 WeakPolarHBondContact O-CB 3.35Å; A44-Y47 PolarHBondContact O-N 3.05Å; A44-Y47 VanDerWaalsContact O-N 3.16Å; A44-H48 PolarHBondContact O-CD2 2.7Å; A44-H48 PolarHBondContact O-N 3.37Å; A44-H48 VanDerWaalsContact O-N 3.11Å
45R86.8Confident92.9Very high171 Ų17171.6 Ų71.665%0.64535%0.354SS*.Hα-helixtrans-55.9-34.1175.366.1-178.1179.6-174.5-2.7113.5P43 K49P43-R45 HydrophobicContact CB-CG 4.13Å; P43-R45 PolarHBondContact O-N 2.98Å; R45-K49 WeakPolarHBondContact O-CB 3.49Å; R45-K49 PolarHBondContact O-N 2.88Å
46F89.8Confident93Very high90 Ų9071.3 Ų71.340%0.39536%0.358SS..Hα-helixtrans-70.9-45.3178.5-70.8-76000110.4W35 L42 P43 A44 H48 K49 L50W35-F46 HydrophobicContact CZ2-CB 4.46Å; W35-F46 WeakPolarHBondContact CZ2-O 3.32Å; L42-F46 HydrophobicContact CB-CB 4.33Å; L42-F46 HydrophobicContact CB-CD2 4.41Å; L42-F46 HydrophobicContact CD1-CB 4.4Å; P43-F46 HydrophobicContact CB-CD2 3.93Å; P43-F46 HydrophobicContact CB-CE2 4.2Å; P43-F46 HydrophobicContact CG-CD2 4.02Å; P43-F46 HydrophobicContact CG-CE2 3.97Å; P43-F46 WeakPolarHBondContact O-CB 3.3Å; P43-F46 PolarHBondContact O-N 2.74Å; A44-F46 PolarHBondContact O-N 2.79Å; F46-H48 VanDerWaalsContact C-N 3.34Å; F46-H48 PolarHBondContact O-N 2.98Å; F46-K49 PolarHBondContact O-N 2.83Å; F46-L50 PolarHBondContact O-N 3.19Å; F46-L50 VanDerWaalsContact O-N 3.14Å
47Y91.2Very high93.2Very high7 Ų768.8 Ų68.83%0.02735%0.351CS..Hα-helixtrans-50.8-56.3174.4167.7-103.8000110.4W32 W35 R36 S39 A44 K49 L50 D51W32-Y47 PolarHBondContact NE1-OH 3.04Å; W35-Y47 AromaticContact CD1-CD2 3.94Å; W35-Y47 AromaticContact NE1-CD2 3.71Å; W35-Y47 PolarHBondContact NE1-O 3.39Å; W35-Y47 VanDerWaalsContact NE1-O 3.11Å; R36-Y47 HydrophobicContact CB-CE2 4.37Å; R36-Y47 HydrophobicContact CG-CE2 4.48Å; S39-Y47 WeakPolarHBondContact OG-CD2 3.29Å; A44-Y47 WeakPolarHBondContact O-CB 3.35Å; A44-Y47 PolarHBondContact O-N 3.05Å; A44-Y47 VanDerWaalsContact O-N 3.16Å; Y47-K49 PolarHBondContact O-N 3.02Å; Y47-L50 PolarHBondContact O-N 3.19Å; Y47-D51 HydrophobicContact CE1-CB 4.42Å; Y47-D51 HydrophobicContact CE2-CB 4.34Å; Y47-D51 WeakPolarHBondContact O-CB 3.25Å; Y47-D51 PolarHBondContact O-N 3.38Å
48H89.9Confident93.4Very high24 Ų2463.6 Ų63.611%0.11132%0.323CS..Hα-helixtrans-60-42-179-68.9-59.8000112.8A44 F46 L50 D51 D52A44-H48 PolarHBondContact O-CD2 2.7Å; A44-H48 PolarHBondContact O-N 3.37Å; A44-H48 VanDerWaalsContact O-N 3.11Å; F46-H48 VanDerWaalsContact C-N 3.34Å; F46-H48 PolarHBondContact O-N 2.98Å; H48-L50 PolarHBondContact O-N 3.34Å; H48-D51 PolarHBondContact O-N 2.89Å; H48-D52 WeakPolarHBondContact O-CB 3.3Å; H48-D52 PolarHBondContact O-N 2.81Å
49K91.6Very high93.6Very high141 Ų14158.7 Ų58.761%0.61330%0.297SS*.Hα-helixtrans-60.9-43-179.4-175.2176.1-178.3179.10112.5R45 F46 Y47 R53R45-K49 WeakPolarHBondContact O-CB 3.49Å; R45-K49 PolarHBondContact O-N 2.88Å; F46-K49 PolarHBondContact O-N 2.83Å; Y47-K49 PolarHBondContact O-N 3.02Å; K49-R53 WeakPolarHBondContact O-CG 3.15Å; K49-R53 PolarHBondContact O-N 2.85Å
50L93.8Very high93.8Very high68 Ų6858.6 Ų58.636%0.35630%0.296SS..Hα-helixtrans-82.9-31.3178.8-170.172.1000112W35 F46 Y47 H48 D52 R53 L54W35-L50 HydrophobicContact CB-CD2 4.34Å; W35-L50 HydrophobicContact CD2-CB 4.19Å; W35-L50 HydrophobicContact CD2-CD2 3.23Å; W35-L50 HydrophobicContact CD2-CG 4.19Å; W35-L50 VanDerWaalsContact CE2-CD2 3.49Å; W35-L50 HydrophobicContact CE3-CD2 3.42Å; W35-L50 VanDerWaalsContact CE3-CD2 3.42Å; W35-L50 HydrophobicContact CG-CD2 3.63Å; W35-L50 HydrophobicContact CG-CG 4.37Å; W35-L50 HydrophobicContact CH2-CB 4.44Å; W35-L50 HydrophobicContact CH2-CD2 4.05Å; W35-L50 HydrophobicContact CZ2-CB 3.66Å; W35-L50 HydrophobicContact CZ2-CD2 3.89Å; W35-L50 HydrophobicContact CZ2-CG 4.4Å; W35-L50 HydrophobicContact CZ3-CD2 3.83Å; F46-L50 PolarHBondContact O-N 3.19Å; F46-L50 VanDerWaalsContact O-N 3.14Å; Y47-L50 PolarHBondContact O-N 3.19Å; H48-L50 PolarHBondContact O-N 3.34Å; L50-D52 VanDerWaalsContact C-N 3.3Å; L50-D52 PolarHBondContact O-N 3.27Å; L50-R53 HydrophobicContact CD1-CB 4.21Å; L50-R53 CarbonylContact O-C 3.59Å; L50-R53 WeakPolarHBondContact O-CA 3.41Å; L50-R53 WeakPolarHBondContact O-CB 3.48Å; L50-R53 PolarHBondContact O-N 2.74Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.43Å
51D95.1Very high94Very high0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-56.6-44.9170.6-172.660.2000110.9W32 Y47 H48 R53 L54 Y55 H136W32-D51 PolarHBondContact NE1-OD1 2.96Å; Y47-D51 HydrophobicContact CE1-CB 4.42Å; Y47-D51 HydrophobicContact CE2-CB 4.34Å; Y47-D51 WeakPolarHBondContact O-CB 3.25Å; Y47-D51 PolarHBondContact O-N 3.38Å; H48-D51 PolarHBondContact O-N 2.89Å; D51-R53 VanDerWaalsContact C-N 3.27Å; D51-R53 PolarHBondContact O-N 2.86Å; D51-L54 PolarHBondContact O-N 2.97Å; D51-Y55 WeakPolarHBondContact O-CB 3.41Å; D51-Y55 PolarHBondContact O-N 3.16Å; D51-H136 IonicContact OD2-CE1 3.64Å; D51-H136 IonicContact OD2-CG 3.72Å; D51-H136 IonicContact OD2-ND1 2.73Å; D51-H136 PolarHBondContact OD2-ND1 3.06Å
52D95.3Very high94.3Very high6 Ų647.9 Ų47.93%0.03223%0.231CC..Hα-helixtrans-61.3-33.5173.2-69.6-10.6000112.7H48 L50 C56 G113 H114 R116 H136H48-D52 WeakPolarHBondContact O-CB 3.3Å; H48-D52 PolarHBondContact O-N 2.81Å; L50-D52 VanDerWaalsContact C-N 3.3Å; L50-D52 PolarHBondContact O-N 3.27Å; D52-C56 WeakPolarHBondContact O-CB 3.47Å; D52-C56 PolarHBondContact O-N 3.44Å; D52-G113 WeakPolarHBondContact CA-O 3.42Å; D52-G113 WeakPolarHBondContact CB-O 3.5Å; D52-G113 VanDerWaalsContact CG-O 3.3Å; D52-G113 WeakPolarHBondContact O-CA 3.42Å; D52-H114 IonicContact OD2-CE1 3.24Å; D52-H114 PolarHBondContact OD2-CE1 2.73Å; D52-H114 IonicContact OD2-CG 3.66Å; D52-H114 IonicContact OD2-ND1 2.9Å; D52-H114 PolarHBondContact OD2-ND1 3.5Å; D52-R116 IonicContact OD1-CZ 2.68Å; D52-R116 IonicContact OD1-NH1 3.51Å; D52-R116 IonicContact OD1-NH2 3.2Å; D52-R116 PolarHBondContact OD1-NH2 2.65Å; D52-H136 IonicContact OD1-CE1 2.85Å; D52-H136 PolarHBondContact OD1-CE1 3.24Å
53R96.1Very high94.5Very high156 Ų15644.3 Ų44.359%0.58921%0.212SC*.Hα-helixtrans-72.2-43.1175.9-66.3-67.3-179.8176.31.3111.8K49 L50 D51 Y55 C56 I57K49-R53 WeakPolarHBondContact O-CG 3.15Å; K49-R53 PolarHBondContact O-N 2.85Å; L50-R53 HydrophobicContact CD1-CB 4.21Å; L50-R53 CarbonylContact O-C 3.59Å; L50-R53 WeakPolarHBondContact O-CA 3.41Å; L50-R53 WeakPolarHBondContact O-CB 3.48Å; L50-R53 PolarHBondContact O-N 2.74Å; D51-R53 VanDerWaalsContact C-N 3.27Å; D51-R53 PolarHBondContact O-N 2.86Å; R53-Y55 VanDerWaalsContact C-N 3.35Å; R53-C56 WeakPolarHBondContact O-CB 3.33Å; R53-C56 PolarHBondContact O-N 2.97Å; R53-I57 WeakPolarHBondContact O-CG1 3.41Å; R53-I57 PolarHBondContact O-N 3.31Å
54L97.1Very high94.9Very high28 Ų2842.9 Ų42.915%0.14720%0.199CC..Hα-helixtrans-60.9-47.9174.4-69.2177.1000109.9Y28 W32 W35 L50 D51 C56 I57 Y58Y28-L54 HydrophobicContact CE2-CB 3.94Å; Y28-L54 WeakPolarHBondContact CE2-O 3.28Å; W32-L54 HydrophobicContact CB-CD1 4.23Å; W35-L54 HydrophobicContact CB-CD1 4.33Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 3.43Å; D51-L54 PolarHBondContact O-N 2.97Å; L54-C56 VanDerWaalsContact C-N 3.31Å; L54-C56 PolarHBondContact O-N 2.95Å; L54-I57 WeakPolarHBondContact O-CB 3.35Å; L54-I57 PolarHBondContact O-N 3.39Å; L54-I57 VanDerWaalsContact O-N 3.07Å; L54-Y58 PolarHBondContact O-N 3Å
55Y97.1Very high95.5Very high4 Ų440.5 Ų40.52%0.01618%0.178CC..Hα-helixtrans-60.8-41.3177.5-166.7-98.6000112.4Y28 D51 R53 I57 Y58 Q59 I112 I115 Y132 H136Y28-Y55 WeakPolarHBondContact OH-CA 3.4Å; Y28-Y55 PolarHBondContact OH-N 3.24Å; D51-Y55 WeakPolarHBondContact O-CB 3.41Å; D51-Y55 PolarHBondContact O-N 3.16Å; R53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-I57 VanDerWaalsContact C-N 3.31Å; Y55-I57 PolarHBondContact O-N 2.82Å; Y55-Y58 PolarHBondContact O-N 3.04Å; Y55-Q59 HydrophobicContact CD1-CG 3.76Å; Y55-Q59 HydrophobicContact CD2-CG 4.47Å; Y55-Q59 HydrophobicContact CE1-CB 4.41Å; Y55-Q59 HydrophobicContact CE1-CG 3.26Å; Y55-Q59 HydrophobicContact CE2-CG 4.15Å; Y55-Q59 HydrophobicContact CG-CG 4.36Å; Y55-Q59 VanDerWaalsContact CZ-NE2 3.28Å; Y55-Q59 PolarHBondContact O-N 3.04Å; Y55-Q59 PolarHBondContact OH-NE2 3.46Å; Y55-I112 WeakPolarHBondContact CD1-O 3.32Å; Y55-I115 HydrophobicContact CD1-CG2 4.29Å; Y55-I115 HydrophobicContact CE1-CG2 3.38Å; Y55-Y132 AromaticContact CD2-CE1 3.59Å; Y55-Y132 HydrophobicContact CD2-CE1 3.59Å; Y55-Y132 AromaticContact CD2-CZ 3.83Å; Y55-Y132 VanDerWaalsContact CD2-OH 3.22Å; Y55-Y132 WeakPolarHBondContact CD2-OH 3.25Å; Y55-Y132 AromaticContact CE2-CE1 3.82Å; Y55-Y132 HydrophobicContact CE2-CE1 3.82Å; Y55-H136 WeakPolarHBondContact CB-CE1 2.98Å; Y55-H136 WeakPolarHBondContact CB-NE2 3.37Å; Y55-H136 AromaticContact CD1-CD2 4Å; Y55-H136 AromaticContact CD1-NE2 3.26Å; Y55-H136 VanDerWaalsContact CD1-NE2 3.26Å; Y55-H136 WeakPolarHBondContact CD1-NE2 3.49Å; Y55-H136 AromaticContact CD2-CD2 3.49Å; Y55-H136 VanDerWaalsContact CD2-CD2 3.49Å; Y55-H136 WeakPolarHBondContact CD2-CD2 3.17Å; Y55-H136 AromaticContact CD2-CE1 3.98Å; Y55-H136 AromaticContact CD2-NE2 3.46Å; Y55-H136 WeakPolarHBondContact CD2-NE2 3.41Å; Y55-H136 AromaticContact CE1-NE2 3.73Å; Y55-H136 AromaticContact CE2-CD2 3.54Å; Y55-H136 AromaticContact CE2-NE2 3.84Å; Y55-H136 AromaticContact CG-CD2 3.65Å; Y55-H136 AromaticContact CG-CE1 3.51Å; Y55-H136 AromaticContact CG-NE2 3.06Å; Y55-H136 AromaticContact CZ-CD2 3.83Å; Y55-H136 AromaticContact CZ-NE2 3.94Å
56C97.6Very high96Very high35 Ų3532.4 Ų32.424%0.23615%0.148CC..Hα-helixtrans-57-44.1173.3-179.30000111.7D52 R53 L54 S60 I112D52-C56 WeakPolarHBondContact O-CB 3.47Å; D52-C56 PolarHBondContact O-N 3.44Å; R53-C56 WeakPolarHBondContact O-CB 3.33Å; R53-C56 PolarHBondContact O-N 2.97Å; L54-C56 VanDerWaalsContact C-N 3.31Å; L54-C56 PolarHBondContact O-N 2.95Å; C56-S60 WeakPolarHBondContact O-CB 3.38Å; C56-S60 PolarHBondContact O-N 3.26Å; C56-S60 PolarHBondContact O-OG 3.18Å; C56-I112 HydrophobicContact CB-CG2 4.02Å; C56-I112 WeakPolarHBondContact SG-CG2 3.45Å
57I98.1Very high96.4Very high45 Ų4528.5 Ų28.523%0.23113%0.131CC..Hα-helixtrans-62.1-49.3176.5-67.1164.2000109.8R53 L54 Y55 S60 M61 S326 I329 L330R53-I57 WeakPolarHBondContact O-CG1 3.41Å; R53-I57 PolarHBondContact O-N 3.31Å; L54-I57 WeakPolarHBondContact O-CB 3.35Å; L54-I57 PolarHBondContact O-N 3.39Å; L54-I57 VanDerWaalsContact O-N 3.07Å; Y55-I57 VanDerWaalsContact C-N 3.31Å; Y55-I57 PolarHBondContact O-N 2.82Å; I57-S60 PolarHBondContact O-N 3.1Å; I57-M61 PolarHBondContact O-N 3.13Å; I57-M61 VanDerWaalsContact O-N 3.09Å; I57-S326 WeakPolarHBondContact O-CB 3.28Å; I57-I329 HydrophobicContact CG2-CG2 4.4Å; I57-L330 HydrophobicContact CG2-CD1 3.97Å; I57-L330 HydrophobicContact CG2-CD2 4.34Å; I57-L330 HydrophobicContact CG2-CG 3.86Å
58Y98.2Very high96.6Very high13 Ų1330.2 Ų30.25%0.05114%0.14CC..Hα-helixtrans-61-50.6-178.3-164.7-91.4000112.8M21 Y28 L54 Y55 S60 M61 V62 Y129 L330M21-Y58 PolarHBondContact O-OH 2.93Å; M21-Y58 VanDerWaalsContact O-OH 3.05Å; Y28-Y58 HydrophobicContact CD1-CD2 4.16Å; Y28-Y58 AromaticContact CD2-CD2 3.54Å; Y28-Y58 HydrophobicContact CD2-CD2 3.54Å; Y28-Y58 AromaticContact CD2-CG 4Å; Y28-Y58 HydrophobicContact CD2-CG 4Å; Y28-Y58 HydrophobicContact CE2-CD2 4.14Å; Y28-Y58 HydrophobicContact CE2-CG 4.12Å; Y28-Y58 AromaticContact CG-CD2 3.54Å; Y28-Y58 HydrophobicContact CG-CD2 3.54Å; Y28-Y58 HydrophobicContact CG-CE2 4.11Å; Y28-Y58 HydrophobicContact CG-CG 4.24Å; L54-Y58 PolarHBondContact O-N 3Å; Y55-Y58 PolarHBondContact O-N 3.04Å; Y58-S60 PolarHBondContact O-N 3.22Å; Y58-M61 HydrophobicContact CD2-CE 4.32Å; Y58-M61 HydrophobicContact CE2-CE 4Å; Y58-M61 WeakPolarHBondContact O-CB 3.24Å; Y58-M61 PolarHBondContact O-N 3.23Å; Y58-V62 HydrophobicContact CD1-CG2 4.19Å; Y58-V62 HydrophobicContact CE1-CG2 3.96Å; Y58-V62 PolarHBondContact O-N 2.97Å; Y58-Y129 HydrophobicContact CE1-CE1 4.07Å; Y58-Y129 AromaticContact CZ-CE1 3.83Å; Y58-Y129 WeakPolarHBondContact OH-CE1 3.41Å; Y58-Y129 PolarHBondContact OH-OH 3.26Å; Y58-L330 HydrophobicContact CD2-CD1 3.91Å
59Q98Very high96.9Very high6 Ų632 Ų323%0.02815%0.146CC..Hα-helixtrans-70.8-30.5-179.5-65.3-58-3.700113.2Y55 M61 V62 L63 D103 I112Y55-Q59 HydrophobicContact CD1-CG 3.76Å; Y55-Q59 HydrophobicContact CD2-CG 4.47Å; Y55-Q59 HydrophobicContact CE1-CB 4.41Å; Y55-Q59 HydrophobicContact CE1-CG 3.26Å; Y55-Q59 HydrophobicContact CE2-CG 4.15Å; Y55-Q59 HydrophobicContact CG-CG 4.36Å; Y55-Q59 VanDerWaalsContact CZ-NE2 3.28Å; Y55-Q59 PolarHBondContact O-N 3.04Å; Y55-Q59 PolarHBondContact OH-NE2 3.46Å; Q59-M61 VanDerWaalsContact C-N 3.3Å; Q59-M61 PolarHBondContact O-N 2.9Å; Q59-V62 WeakPolarHBondContact O-CB 3.38Å; Q59-V62 PolarHBondContact O-N 2.89Å; Q59-V62 VanDerWaalsContact O-N 3.14Å; Q59-L63 WeakPolarHBondContact O-CG 3.43Å; Q59-L63 PolarHBondContact O-N 2.72Å; Q59-D103 PolarHBondContact OE1-OD2 3.35Å; Q59-I112 HydrophobicContact CB-CD1 3.4Å; Q59-I112 HydrophobicContact CB-CG1 3.73Å
60S98.4Very high97.1Very high4 Ų425.8 Ų25.83%0.02812%0.12CC..Hα-helixtrans-66.7-33.3174.1-58.30000111.7C56 I57 Y58 L63 F64 S323 S326C56-S60 WeakPolarHBondContact O-CB 3.38Å; C56-S60 PolarHBondContact O-N 3.26Å; C56-S60 PolarHBondContact O-OG 3.18Å; I57-S60 PolarHBondContact O-N 3.1Å; Y58-S60 PolarHBondContact O-N 3.22Å; S60-L63 PolarHBondContact O-N 2.85Å; S60-F64 PolarHBondContact O-N 3.13Å; S60-S323 VanDerWaalsContact O-CB 3.29Å; S60-S323 WeakPolarHBondContact O-CB 3.47Å; S60-S326 WeakPolarHBondContact CB-OG 3.32Å
61M98.4Very high97.3Very high0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-66.2-41.7168.7173.8-15770.100111.5M21 T24 I57 Y58 Q59 L63 F64 F65 A327 L330M21-M61 HydrophobicContact CB-CE 4.23Å; M21-M61 HydrophobicContact CG-CE 4.16Å; T24-M61 HydrophobicContact CG2-SD 3.86Å; T24-M61 VanDerWaalsContact OG1-CE 3.31Å; T24-M61 WeakPolarHBondContact OG1-CE 3.45Å; T24-M61 PolarHBondContact OG1-SD 3.05Å; T24-M61 VanDerWaalsContact OG1-SD 3.39Å; I57-M61 PolarHBondContact O-N 3.13Å; I57-M61 VanDerWaalsContact O-N 3.09Å; Y58-M61 HydrophobicContact CD2-CE 4.32Å; Y58-M61 HydrophobicContact CE2-CE 4Å; Y58-M61 WeakPolarHBondContact O-CB 3.24Å; Y58-M61 PolarHBondContact O-N 3.23Å; Q59-M61 VanDerWaalsContact C-N 3.3Å; Q59-M61 PolarHBondContact O-N 2.9Å; M61-L63 VanDerWaalsContact C-N 3.32Å; M61-L63 PolarHBondContact O-N 3.37Å; M61-F64 VanDerWaalsContact O-CB 3.31Å; M61-F64 WeakPolarHBondContact O-CB 3.36Å; M61-F64 PolarHBondContact O-N 3.25Å; M61-F65 HydrophobicContact CG-CE2 4.25Å; M61-F65 WeakPolarHBondContact O-CD2 3.34Å; M61-F65 PolarHBondContact O-N 2.75Å; M61-A327 HydrophobicContact CB-CB 4.33Å; M61-A327 HydrophobicContact CG-CB 3.94Å; M61-L330 HydrophobicContact CB-CD1 3.95Å; M61-L330 HydrophobicContact CE-CD1 4.07Å; M61-L330 HydrophobicContact CG-CD1 4.35Å; M61-L330 HydrophobicContact SD-CB 3.99Å; M61-L330 HydrophobicContact SD-CD1 3.61Å; M61-L330 HydrophobicContact SD-CG 4.46Å
62V98.1Very high97.4Very high6 Ų625.7 Ų25.74%0.03613%0.134CC..Hα-helixtrans-58.7-46.8175.1172.30000110.3M21 Y58 Q59 F64 F65 F66 W99 I100M21-V62 HydrophobicContact SD-CB 4.23Å; M21-V62 HydrophobicContact SD-CG1 4Å; M21-V62 HydrophobicContact SD-CG2 4.12Å; Y58-V62 HydrophobicContact CD1-CG2 4.19Å; Y58-V62 HydrophobicContact CE1-CG2 3.96Å; Y58-V62 PolarHBondContact O-N 2.97Å; Q59-V62 WeakPolarHBondContact O-CB 3.38Å; Q59-V62 PolarHBondContact O-N 2.89Å; Q59-V62 VanDerWaalsContact O-N 3.14Å; V62-F64 VanDerWaalsContact C-N 3.29Å; V62-F64 PolarHBondContact O-N 3.46Å; V62-F65 PolarHBondContact O-N 3.02Å; V62-F66 HydrophobicContact CG1-CD2 3.66Å; V62-F66 HydrophobicContact CG1-CE2 3.93Å; V62-F66 WeakPolarHBondContact O-CD2 3.34Å; V62-F66 PolarHBondContact O-N 3.35Å; V62-W99 HydrophobicContact CG1-CH2 3.92Å; V62-W99 HydrophobicContact CG1-CZ3 4.37Å; V62-I100 HydrophobicContact CG1-CD1 3.5Å; V62-I100 VanDerWaalsContact CG1-CD1 3.5Å
63L98.1Very high97.5Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-64.9-28.5177.4-69.3-172.5000113.7Q59 S60 M61 F65 F66 E67 I100 D103 M104 I107 I112 L318Q59-L63 WeakPolarHBondContact O-CG 3.43Å; Q59-L63 PolarHBondContact O-N 2.72Å; S60-L63 PolarHBondContact O-N 2.85Å; M61-L63 VanDerWaalsContact C-N 3.32Å; M61-L63 PolarHBondContact O-N 3.37Å; L63-F65 PolarHBondContact O-N 2.83Å; L63-F66 PolarHBondContact O-N 3.48Å; L63-E67 WeakPolarHBondContact O-CB 3.13Å; L63-E67 PolarHBondContact O-N 3.48Å; L63-I100 HydrophobicContact CD2-CG2 3.88Å; L63-D103 HydrophobicContact CD1-CB 4.17Å; L63-D103 HydrophobicContact CD2-CB 3.89Å; L63-D103 HydrophobicContact CG-CB 4.27Å; L63-M104 HydrophobicContact CD2-CG 3.79Å; L63-I107 HydrophobicContact CD1-CB 3.79Å; L63-I107 HydrophobicContact CD1-CD1 3.84Å; L63-I107 HydrophobicContact CD1-CG1 4.43Å; L63-I107 HydrophobicContact CD1-CG2 3.54Å; L63-I112 HydrophobicContact CD1-CD1 3.6Å; L63-I112 HydrophobicContact CG-CD1 4.25Å; L63-L318 HydrophobicContact CB-CD2 4.13Å
64F98.4Very high97.6Very high40 Ų4021 Ų2118%0.17512%0.119CC..Iπ-helixtrans-55.1-43.4169.4175.2-96.5000110.6S60 M61 V62 N68 Y69 L320 L324 A327S60-F64 PolarHBondContact O-N 3.13Å; M61-F64 VanDerWaalsContact O-CB 3.31Å; M61-F64 WeakPolarHBondContact O-CB 3.36Å; M61-F64 PolarHBondContact O-N 3.25Å; V62-F64 VanDerWaalsContact C-N 3.29Å; V62-F64 PolarHBondContact O-N 3.46Å; F64-N68 HydrophobicContact CD2-CB 4.02Å; F64-N68 HydrophobicContact CE2-CB 4.28Å; F64-N68 CarbonylContact O-C 3.57Å; F64-N68 WeakPolarHBondContact O-CA 3.21Å; F64-N68 WeakPolarHBondContact O-CB 3.47Å; F64-N68 PolarHBondContact O-N 3.08Å; F64-N68 VanDerWaalsContact O-N 3.15Å; F64-Y69 PolarHBondContact O-N 3.22Å; F64-L320 HydrophobicContact CD2-CD2 4.19Å; F64-L320 HydrophobicContact CE2-CD2 3.81Å; F64-L324 HydrophobicContact CD2-CB 4.24Å; F64-L324 HydrophobicContact CD2-CD1 4.27Å; F64-L324 HydrophobicContact CE2-CB 4.28Å; F64-L324 HydrophobicContact CE2-CD1 3.72Å; F64-L324 HydrophobicContact CZ-CD1 4.11Å; F64-A327 HydrophobicContact CB-CB 4.42Å; F64-A327 HydrophobicContact CD1-CB 4.28Å; F64-A327 HydrophobicContact CG-CB 4.28Å
65F97.8Very high97.7Very high6 Ų620 Ų203%0.02611%0.114CC..Iπ-helixtrans-77.1-38.6179.2-70.1-68.5000113.5F16 P17 I20 M21 M61 V62 L63 Y69 T70 L253F16-F65 HydrophobicContact CD1-CE1 4.44Å; F16-F65 HydrophobicContact CE1-CE1 4.06Å; P17-F65 HydrophobicContact CB-CB 3.9Å; P17-F65 HydrophobicContact CB-CD1 3.38Å; P17-F65 HydrophobicContact CB-CE1 4Å; P17-F65 HydrophobicContact CB-CG 3.69Å; I20-F65 HydrophobicContact CB-CE2 3.97Å; I20-F65 HydrophobicContact CB-CZ 3.73Å; I20-F65 HydrophobicContact CD1-CE1 4.18Å; I20-F65 HydrophobicContact CD1-CZ 3.66Å; I20-F65 HydrophobicContact CG1-CZ 4.28Å; I20-F65 HydrophobicContact CG2-CE2 3.65Å; I20-F65 HydrophobicContact CG2-CZ 3.63Å; M21-F65 HydrophobicContact CE-CB 4.46Å; M21-F65 HydrophobicContact CG-CD2 3.48Å; M21-F65 VanDerWaalsContact CG-CD2 3.48Å; M21-F65 HydrophobicContact CG-CE2 4Å; M21-F65 HydrophobicContact CG-CG 4.27Å; M21-F65 HydrophobicContact SD-CB 4.01Å; M21-F65 HydrophobicContact SD-CD2 4.01Å; M21-F65 HydrophobicContact SD-CG 4.36Å; M61-F65 HydrophobicContact CG-CE2 4.25Å; M61-F65 WeakPolarHBondContact O-CD2 3.34Å; M61-F65 PolarHBondContact O-N 2.75Å; V62-F65 PolarHBondContact O-N 3.02Å; L63-F65 PolarHBondContact O-N 2.83Å; F65-Y69 HydrophobicContact CD1-CD1 4.41Å; F65-Y69 HydrophobicContact CD1-CG 4.11Å; F65-Y69 WeakPolarHBondContact O-CB 3.45Å; F65-T70 VanDerWaalsContact O-CG2 3.31Å; F65-T70 WeakPolarHBondContact O-CG2 3.37Å; F65-T70 PolarHBondContact O-N 2.85Å; F65-L253 HydrophobicContact CB-CD2 4.28Å
66F97.5Very high97.7Very high1 Ų120.2 Ų20.20%0.00412%0.115CC..Iπ-helixtrans-82.5-20.1-177-82.8-86.6000114.7M21 V62 L63 T70 V72 I100 M104 M249 F252 L253M21-F66 HydrophobicContact CE-CE2 3.8Å; M21-F66 HydrophobicContact SD-CD2 4.18Å; M21-F66 HydrophobicContact SD-CE2 3.87Å; V62-F66 HydrophobicContact CG1-CD2 3.66Å; V62-F66 HydrophobicContact CG1-CE2 3.93Å; V62-F66 WeakPolarHBondContact O-CD2 3.34Å; V62-F66 PolarHBondContact O-N 3.35Å; L63-F66 PolarHBondContact O-N 3.48Å; F66-T70 PolarHBondContact O-OG1 3.09Å; F66-V72 WeakPolarHBondContact O-CG1 3.44Å; F66-I100 HydrophobicContact CB-CD1 4.47Å; F66-I100 HydrophobicContact CB-CG2 3.6Å; F66-I100 HydrophobicContact CD1-CD1 4.32Å; F66-I100 HydrophobicContact CD1-CG1 4.03Å; F66-I100 HydrophobicContact CD1-CG2 4.08Å; F66-I100 HydrophobicContact CD2-CD1 3.6Å; F66-I100 HydrophobicContact CD2-CG1 4.21Å; F66-I100 HydrophobicContact CE1-CG1 4.16Å; F66-I100 HydrophobicContact CE2-CD1 3.8Å; F66-I100 HydrophobicContact CE2-CG1 4.32Å; F66-I100 HydrophobicContact CG-CD1 3.88Å; F66-I100 HydrophobicContact CG-CG1 4.07Å; F66-I100 HydrophobicContact CG-CG2 3.84Å; F66-I100 HydrophobicContact CZ-CD1 4.27Å; F66-I100 HydrophobicContact CZ-CG1 4.31Å; F66-M104 HydrophobicContact CB-CE 4.23Å; F66-M104 WeakPolarHBondContact O-CE 3.28Å; F66-M249 HydrophobicContact CE1-CG 4.5Å; F66-M249 HydrophobicContact CE2-CE 4.5Å; F66-M249 HydrophobicContact CZ-CE 3.86Å; F66-M249 HydrophobicContact CZ-CG 4.35Å; F66-F252 HydrophobicContact CB-CE1 4.48Å; F66-F252 AromaticContact CD1-CD1 3.57Å; F66-F252 HydrophobicContact CD1-CD1 3.57Å; F66-F252 AromaticContact CD1-CE1 3.89Å; F66-F252 HydrophobicContact CD1-CE1 3.89Å; F66-F252 HydrophobicContact CD1-CG 4.1Å; F66-F252 HydrophobicContact CE1-CB 4.35Å; F66-F252 HydrophobicContact CE1-CD1 4.1Å; F66-F252 HydrophobicContact CE1-CG 4.25Å; F66-F252 WeakPolarHBondContact O-CE1 3.5Å; F66-L253 HydrophobicContact CD1-CD2 4.13Å; F66-L253 HydrophobicContact CD2-CD2 4.18Å; F66-L253 HydrophobicContact CE1-CD1 4.48Å; F66-L253 HydrophobicContact CE1-CD2 3.98Å; F66-L253 HydrophobicContact CE1-CG 3.94Å; F66-L253 HydrophobicContact CE2-CD1 4.42Å; F66-L253 HydrophobicContact CE2-CD2 4.04Å; F66-L253 HydrophobicContact CE2-CG 4.45Å; F66-L253 HydrophobicContact CG-CD2 4.23Å; F66-L253 HydrophobicContact CZ-CD1 3.96Å; F66-L253 HydrophobicContact CZ-CD2 3.93Å; F66-L253 HydrophobicContact CZ-CG 3.89Å
67E97.5Very high97.8Very high8 Ų819 Ų194%0.03711%0.106CC..Iπ-helixtrans-116.5-52.7178.1-152.6179.7137.700112.2L63 T70 G71 V72 I74 M104 R108 L318L63-E67 WeakPolarHBondContact O-CB 3.13Å; L63-E67 PolarHBondContact O-N 3.48Å; E67-T70 PolarHBondContact O-OG1 3.14Å; E67-G71 WeakPolarHBondContact O-CA 3.38Å; E67-G71 PolarHBondContact O-N 3.12Å; E67-V72 HydrophobicContact CG-CG1 4.29Å; E67-I74 HydrophobicContact CG-CG1 4.19Å; E67-M104 HydrophobicContact CB-CE 3.86Å; E67-M104 HydrophobicContact CG-CE 3.98Å; E67-M104 WeakPolarHBondContact OE2-CG 3.15Å; E67-R108 VanDerWaalsContact CD-NH2 3.3Å; E67-R108 IonicContact OE1-CZ 3.94Å; E67-R108 IonicContact OE1-NH1 2.73Å; E67-R108 IonicContact OE1-NH2 3.29Å; E67-R108 PolarHBondContact OE1-NH2 3.29Å; E67-R108 IonicContact OE2-CZ 3.39Å; E67-R108 IonicContact OE2-NH1 2.64Å; E67-R108 PolarHBondContact OE2-NH1 3.14Å; E67-R108 IonicContact OE2-NH2 3.14Å; E67-R108 PolarHBondContact OE2-NH2 3.41Å; E67-L318 HydrophobicContact CB-CB 4.5Å; E67-L318 HydrophobicContact CB-CD2 4.21Å; E67-L318 HydrophobicContact CG-CB 4.2Å; E67-L318 WeakPolarHBondContact OE1-CB 3.25Å; E67-L318 PolarHBondContact OE1-N 2.97Å
68N97.2Very high97.7Very high43 Ų4318.6 Ų18.623%0.2311%0.113CC..Iπ-helixtrans-77.8-43.2-174.4-60.5116.1000113.7F64 L318 L320 S323F64-N68 HydrophobicContact CD2-CB 4.02Å; F64-N68 HydrophobicContact CE2-CB 4.28Å; F64-N68 CarbonylContact O-C 3.57Å; F64-N68 WeakPolarHBondContact O-CA 3.21Å; F64-N68 WeakPolarHBondContact O-CB 3.47Å; F64-N68 PolarHBondContact O-N 3.08Å; F64-N68 VanDerWaalsContact O-N 3.15Å; N68-L318 PolarHBondContact ND2-O 2.7Å; N68-L320 HydrophobicContact CB-CD2 3.79Å; N68-S323 PolarHBondContact OD1-OG 2.78Å
69Y95.9Very high97.4Very high61 Ų6123.4 Ų23.424%0.23914%0.139CC..Iπ-helixtrans-72.7-44.2179.7167.7-97.4000111.8R13 F16 P17 F64 F65 G71 K255R13-Y69 PolarHBondContact O-OH 3.28Å; F16-Y69 HydrophobicContact CD1-CE2 4.18Å; F16-Y69 HydrophobicContact CE1-CE2 4.42Å; P17-Y69 HydrophobicContact CB-CE1 4.45Å; P17-Y69 HydrophobicContact CG-CD1 4.47Å; P17-Y69 HydrophobicContact CG-CE1 3.95Å; F64-Y69 PolarHBondContact O-N 3.22Å; F65-Y69 HydrophobicContact CD1-CD1 4.41Å; F65-Y69 HydrophobicContact CD1-CG 4.11Å; F65-Y69 WeakPolarHBondContact O-CB 3.45Å; Y69-G71 VanDerWaalsContact C-N 3.31Å; Y69-K255 WeakPolarHBondContact O-CE 3.27Å; Y69-K255 PolarHBondContact O-NZ 3.49Å
70T96.1Very high97.2Very high11 Ų1125 Ų257%0.06715%0.148CC..THydrogen-bonded Turntrans-64.5-40.3176.450.70000110.7F65 F66 E67 V72 F252 L253 K255F65-T70 VanDerWaalsContact O-CG2 3.31Å; F65-T70 WeakPolarHBondContact O-CG2 3.37Å; F65-T70 PolarHBondContact O-N 2.85Å; F66-T70 PolarHBondContact O-OG1 3.09Å; E67-T70 PolarHBondContact O-OG1 3.14Å; T70-V72 VanDerWaalsContact C-N 3.28Å; T70-V72 PolarHBondContact OG1-N 3.13Å; T70-F252 HydrophobicContact CG2-CD1 4.01Å; T70-F252 HydrophobicContact CG2-CE1 4.17Å; T70-F252 VanDerWaalsContact CG2-O 3.31Å; T70-F252 WeakPolarHBondContact CG2-O 3.37Å; T70-L253 HydrophobicContact CG2-CD2 4.46Å; T70-K255 WeakPolarHBondContact O-CD 3.49Å
71G96.3Very high96.9Very high57 Ų5726 Ų2659%0.58815%0.154SC*.  trans74.222.3-172.900000112.4E67 Y69 E73E67-G71 WeakPolarHBondContact O-CA 3.38Å; E67-G71 PolarHBondContact O-N 3.12Å; Y69-G71 VanDerWaalsContact C-N 3.31Å; G71-E73 PolarHBondContact O-N 3.33Å
72V97.4Very high96.3Very high10 Ų1035.5 Ų35.56%0.06120%0.195CC..  trans-60.5132.4176.462.80000109.9F66 E67 T70 I74 M104 F252 C257 I260F66-V72 WeakPolarHBondContact O-CG1 3.44Å; E67-V72 HydrophobicContact CG-CG1 4.29Å; T70-V72 VanDerWaalsContact C-N 3.28Å; T70-V72 PolarHBondContact OG1-N 3.13Å; V72-I74 HydrophobicContact CG1-CD1 4.03Å; V72-I74 HydrophobicContact CG2-CD1 4.33Å; V72-M104 HydrophobicContact CG1-CE 4.15Å; V72-F252 HydrophobicContact CB-CE1 4.35Å; V72-F252 HydrophobicContact CB-CZ 4.35Å; V72-F252 HydrophobicContact CG1-CE1 3.97Å; V72-F252 HydrophobicContact CG1-CZ 3.95Å; V72-F252 HydrophobicContact CG2-CZ 4.26Å; V72-C257 WeakPolarHBondContact CG2-O 3.31Å; V72-I260 HydrophobicContact CG2-CD1 3.86Å; V72-I260 HydrophobicContact CG2-CG1 3.78Å
73E98.2Very high95.8Very high60 Ų6041.2 Ų41.228%0.2823%0.226SC..EExtended strand (participates in β ladder)trans-82.8123.8177.3-170.4172.694.800110.1G71 V75 P258 R259 I260 I315G71-E73 PolarHBondContact O-N 3.33Å; E73-V75 HydrophobicContact CG-CG2 4.27Å; E73-P258 PolarHBondContact N-O 3.02Å; E73-R259 HydrophobicContact CB-CB 4.26Å; E73-R259 HydrophobicContact CB-CG 4.1Å; E73-R259 HydrophobicContact CG-CG 4.46Å; E73-R259 CarbonylContact O-C 3.57Å; E73-R259 VanDerWaalsContact O-CA 3.24Å; E73-R259 WeakPolarHBondContact O-CA 3.38Å; E73-R259 WeakPolarHBondContact O-CG 3.39Å; E73-R259 IonicContact OE1-CZ 3.56Å; E73-R259 IonicContact OE1-NE 3.41Å; E73-R259 PolarHBondContact OE1-NE 3.33Å; E73-R259 IonicContact OE1-NH2 3.59Å; E73-R259 PolarHBondContact OE1-NH2 3.46Å; E73-I260 PolarHBondContact O-N 2.93Å; E73-I315 HydrophobicContact CG-CD1 4.47Å; E73-I315 HydrophobicContact CG-CG1 4.21Å; E73-I315 HydrophobicContact CG-CG2 3.88Å
74I98.3Very high95.5Very high2 Ų245.2 Ų45.21%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-100.3115.3177.1-53.8-56.5000108.9E67 V72 I76 M104 I260 I262 I315 S316E67-I74 HydrophobicContact CG-CG1 4.19Å; V72-I74 HydrophobicContact CG1-CD1 4.03Å; V72-I74 HydrophobicContact CG2-CD1 4.33Å; I74-I76 HydrophobicContact CG2-CD1 4.09Å; I74-I76 HydrophobicContact CG2-CG1 3.88Å; I74-M104 HydrophobicContact CD1-CE 4.24Å; I74-M104 HydrophobicContact CD1-SD 3.69Å; I74-M104 HydrophobicContact CG1-SD 4.26Å; I74-I260 HydrophobicContact CD1-CB 4.02Å; I74-I260 HydrophobicContact CD1-CD1 4.03Å; I74-I260 HydrophobicContact CD1-CG1 4.35Å; I74-I262 HydrophobicContact CG2-CD1 3.67Å; I74-I315 WeakPolarHBondContact O-CA 3.5Å; I74-S316 PolarHBondContact O-N 2.91Å
75V98.5Very high95.3Very high9 Ų944.8 Ų44.86%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-108.6120.5176.7-175.90000109.7E73 Y77 R259 I260 H261 I262 I315E73-V75 HydrophobicContact CG-CG2 4.27Å; V75-Y77 HydrophobicContact CB-CE2 4.25Å; V75-Y77 HydrophobicContact CG1-CD2 4.29Å; V75-Y77 HydrophobicContact CG1-CE2 3.56Å; V75-R259 HydrophobicContact CG2-CG 3.84Å; V75-I260 PolarHBondContact N-O 3.09Å; V75-H261 CarbonylContact O-C 3.56Å; V75-H261 WeakPolarHBondContact O-CA 3.33Å; V75-I262 PolarHBondContact O-N 3.11Å; V75-I315 HydrophobicContact CG2-CG1 4.14Å
76I98.5Very high95.2Very high8 Ų846.6 Ų46.64%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-112.9126.4-173.8-51.4-175.5000109.2I74 I80 L105 I262 F264 R314I74-I76 HydrophobicContact CG2-CD1 4.09Å; I74-I76 HydrophobicContact CG2-CG1 3.88Å; I76-I80 HydrophobicContact CD1-CD1 3.46Å; I76-I80 VanDerWaalsContact CD1-CD1 3.46Å; I76-I80 HydrophobicContact CG2-CD1 3.89Å; I76-I80 HydrophobicContact CG2-CG1 4.13Å; I76-L105 HydrophobicContact CD1-CD2 4.06Å; I76-I262 CarbonylContact C-O 3.54Å; I76-I262 WeakPolarHBondContact CA-O 3.49Å; I76-F264 HydrophobicContact CG2-CB 4.33Å; I76-R314 PolarHBondContact N-O 3Å; I76-R314 PolarHBondContact O-N 3.49Å
77Y98.3Very high95.2Very high9 Ų946.6 Ų46.64%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-107.6120.8175.7-57.7-105000107.5V75 H261 I262 F264 R308 F309V75-Y77 HydrophobicContact CB-CE2 4.25Å; V75-Y77 HydrophobicContact CG1-CD2 4.29Å; V75-Y77 HydrophobicContact CG1-CE2 3.56Å; Y77-H261 HydrophobicContact CE2-CB 3.89Å; Y77-H261 AromaticContact CE2-ND1 3.46Å; Y77-H261 WeakPolarHBondContact CE2-ND1 3.47Å; Y77-H261 AromaticContact CZ-ND1 3.61Å; Y77-H261 PolarHBondContact OH-CE1 3.07Å; Y77-H261 PolarHBondContact OH-ND1 2.85Å; Y77-I262 PolarHBondContact N-O 3.33Å; Y77-F264 PolarHBondContact O-N 3.46Å; Y77-R308 HydrophobicContact CE1-CB 4.38Å; Y77-F309 HydrophobicContact CD1-CB 3.89Å; Y77-F309 WeakPolarHBondContact CD1-O 3.38Å; Y77-F309 HydrophobicContact CD2-CB 3.82Å; Y77-F309 AromaticContact CD2-CD2 3.88Å; Y77-F309 HydrophobicContact CD2-CD2 3.88Å; Y77-F309 HydrophobicContact CD2-CG 4.34Å; Y77-F309 HydrophobicContact CE1-CB 4.19Å; Y77-F309 WeakPolarHBondContact CE1-O 3.44Å; Y77-F309 HydrophobicContact CE2-CB 4.12Å; Y77-F309 HydrophobicContact CE2-CD2 4.13Å; Y77-F309 HydrophobicContact CG-CB 3.7Å
78G96.3Very high95.2Very high36 Ų3646.2 Ų46.237%0.37125%0.25SC..SBendtrans99.1170.4-171.100000113.3
79D93.3Very high95.3Very high115 Ų11544.1 Ų44.162%0.61524%0.239SC*.PPolyproline II helixtrans-101.7120.3-171.6-66.6-53.3000111.8F264 R314D79-F264 WeakPolarHBondContact O-CD1 3.02Å; D79-F264 WeakPolarHBondContact O-CE1 3.44Å; D79-R314 IonicContact OD1-CZ 2.8Å; D79-R314 IonicContact OD1-NH1 3.33Å; D79-R314 PolarHBondContact OD1-NH1 2.82Å
80I93.5Very high95.4Very high39 Ų3941.3 Ų41.320%0.223%0.228CC..PPolyproline II helixtrans-80.8129.2172.3-61.4174.9000108.9I76 K82 L105 Q109 F264I76-I80 HydrophobicContact CD1-CD1 3.46Å; I76-I80 VanDerWaalsContact CD1-CD1 3.46Å; I76-I80 HydrophobicContact CG2-CD1 3.89Å; I76-I80 HydrophobicContact CG2-CG1 4.13Å; I80-K82 PolarHBondContact O-N 3.18Å; I80-L105 HydrophobicContact CD1-CD2 3.49Å; I80-L105 VanDerWaalsContact CD1-CD2 3.49Å; I80-L105 HydrophobicContact CG1-CD2 4.43Å; I80-Q109 VanDerWaalsContact CG2-CD 3.46Å; I80-Q109 HydrophobicContact CG2-CG 3.4Å; I80-Q109 VanDerWaalsContact CG2-CG 3.4Å; I80-F264 HydrophobicContact CG1-CD1 4.27Å; I80-F264 HydrophobicContact CG1-CD2 4.15Å; I80-F264 HydrophobicContact CG1-CE1 4.48Å; I80-F264 HydrophobicContact CG1-CE2 4.35Å; I80-F264 HydrophobicContact CG1-CG 4.11Å
81P92.4Very high95.6Very high24 Ų2440.8 Ų40.816%0.15622%0.224CC..PPolyproline II helixtrans-55.8134.4174.6-3039.8000112.1N83 Q109 Y227P81-N83 VanDerWaalsContact C-N 3.31Å; P81-Q109 WeakPolarHBondContact O-CG 3.46Å; P81-Y227 HydrophobicContact CG-CE1 4.05Å; P81-Y227 WeakPolarHBondContact CG-OH 3.32Å
82K85.9Confident95.7Very high200 Ų20038 Ų3887%0.8720%0.196SC*.SBendtrans-73.7-29.5175.3-64.9-176.8-178.7177.60112I80I80-K82 PolarHBondContact O-N 3.18Å
83N87.3Confident95.7Very high127 Ų12738.9 Ų38.968%0.67920%0.199SC*.SBendtrans-85.8149.1179.3-64.8-26.1000109.8P81 E85P81-N83 VanDerWaalsContact C-N 3.31Å; N83-E85 PolarHBondContact O-N 2.91Å
84K90.4Very high95.6Very high83 Ų8336.5 Ų36.536%0.36119%0.188SC..  trans-76122.8173.8-178.3-174.6163.6-1600109.4A111 H114 P165K84-A111 HydrophobicContact CG-CB 4.21Å; K84-H114 WeakPolarHBondContact CE-CD2 3.46Å; K84-H114 PolarHBondContact NZ-CD2 2.9Å; K84-H114 PolarHBondContact NZ-CE1 3.2Å; K84-H114 PolarHBondContact NZ-NE2 3.12Å; K84-P165 VanDerWaalsContact NZ-CB 3.29Å
85E94.8Very high95.3Very high32 Ų3236.6 Ų36.615%0.1519%0.189CC..  trans-113.7155.4179.3-66.1-167.3140.700111.5N83 V87 D224 Y227 R266N83-E85 PolarHBondContact O-N 2.91Å; E85-V87 HydrophobicContact CB-CG1 3.65Å; E85-D224 VanDerWaalsContact CA-OD2 3.32Å; E85-D224 WeakPolarHBondContact CA-OD2 3.47Å; E85-D224 HydrophobicContact CB-CB 3.95Å; E85-D224 HydrophobicContact CG-CB 4.13Å; E85-Y227 WeakPolarHBondContact OE2-CE1 3.34Å; E85-Y227 PolarHBondContact OE2-OH 3.39Å; E85-Y227 VanDerWaalsContact OE2-OH 3.05Å; E85-R266 IonicContact OE1-CZ 2.84Å; E85-R266 IonicContact OE1-NE 3.69Å; E85-R266 PolarHBondContact OE1-NE 3.17Å; E85-R266 IonicContact OE1-NH2 3.2Å; E85-R266 PolarHBondContact OE1-NH2 2.9Å; E85-R266 IonicContact OE2-CZ 3.37Å; E85-R266 IonicContact OE2-NE 2.65Å; E85-R266 PolarHBondContact OE2-NE 3.31Å; E85-R266 IonicContact OE2-NH2 3.84Å; E85-R266 PolarHBondContact OE2-NH2 2.97Å
86N95.6Very high95Very high44 Ų4438.7 Ų38.724%0.23520%0.202CC..  trans-85.8116.3164.8-72.2-27.5000109.1P165 M166 S222 L223 D224N86-P165 WeakPolarHBondContact OD1-CA 3.23Å; N86-M166 CarbonylContact C-O 3.52Å; N86-M166 VanDerWaalsContact CA-O 3.25Å; N86-M166 WeakPolarHBondContact CA-O 3.49Å; N86-M166 PolarHBondContact OD1-N 3.39Å; N86-S222 WeakPolarHBondContact CB-O 3.44Å; N86-S222 PolarHBondContact ND2-O 3.45Å; N86-L223 WeakPolarHBondContact O-CA 3.2Å; N86-L223 WeakPolarHBondContact O-CD2 3.46Å; N86-D224 PolarHBondContact N-OD2 2.9Å; N86-D224 PolarHBondContact O-N 3.12Å
87V97.6Very high94.7Very high0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-138.2155.2-168.6-59.50000113.2E85 M166 Y167 L168 A225 Y227E85-V87 HydrophobicContact CB-CG1 3.65Å; V87-M166 PolarHBondContact N-O 3.46Å; V87-Y167 HydrophobicContact CG2-CD1 4.04Å; V87-Y167 HydrophobicContact CG2-CD2 3.43Å; V87-Y167 VanDerWaalsContact CG2-CD2 3.43Å; V87-Y167 HydrophobicContact CG2-CE1 4.28Å; V87-Y167 HydrophobicContact CG2-CE2 3.7Å; V87-Y167 HydrophobicContact CG2-CG 3.63Å; V87-L168 PolarHBondContact O-N 2.7Å; V87-A225 VanDerWaalsContact CA-O 3.3Å; V87-A225 WeakPolarHBondContact CA-O 3.36Å; V87-A225 HydrophobicContact CG1-CB 4.3Å; V87-Y227 HydrophobicContact CB-CD1 4.46Å; V87-Y227 HydrophobicContact CB-CD2 4.17Å; V87-Y227 HydrophobicContact CB-CE1 4.5Å; V87-Y227 HydrophobicContact CB-CE2 4.21Å; V87-Y227 HydrophobicContact CB-CG 4.31Å; V87-Y227 HydrophobicContact CG1-CD1 4.05Å; V87-Y227 HydrophobicContact CG1-CD2 4.21Å; V87-Y227 HydrophobicContact CG1-CE1 3.66Å; V87-Y227 HydrophobicContact CG1-CE2 3.84Å; V87-Y227 HydrophobicContact CG1-CG 4.33Å; V87-Y227 HydrophobicContact CG2-CD2 3.77Å; V87-Y227 HydrophobicContact CG2-CE2 3.78Å; V87-Y227 HydrophobicContact CG2-CG 4.37Å
88I98.4Very high94.6Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-101125.6155.9-66.2166.7000107.3L90 L168 I170 A215 V216 M219 L223 A225 V226 Y227I88-L90 HydrophobicContact CG2-CD2 3.55Å; I88-L90 HydrophobicContact CG2-CG 4Å; I88-L168 CarbonylContact C-O 3.54Å; I88-L168 WeakPolarHBondContact CA-O 3.26Å; I88-L168 HydrophobicContact CG1-CB 4.27Å; I88-L168 HydrophobicContact CG1-CD2 4.38Å; I88-I170 HydrophobicContact CG2-CD1 3.97Å; I88-I170 HydrophobicContact CG2-CG1 4.26Å; I88-A215 HydrophobicContact CD1-CB 3.57Å; I88-A215 HydrophobicContact CG1-CB 4.46Å; I88-V216 HydrophobicContact CD1-CB 4.33Å; I88-V216 HydrophobicContact CD1-CG2 3.57Å; I88-M219 HydrophobicContact CD1-CE 4.19Å; I88-M219 HydrophobicContact CG1-CE 3.87Å; I88-L223 HydrophobicContact CD1-CD1 3.61Å; I88-L223 HydrophobicContact CG1-CD1 3.99Å; I88-L223 HydrophobicContact CG1-CD2 4.16Å; I88-A225 PolarHBondContact N-O 2.99Å; I88-V226 HydrophobicContact CB-CG2 4.19Å; I88-V226 CarbonylContact O-C 3.54Å; I88-V226 VanDerWaalsContact O-CA 3.3Å; I88-V226 WeakPolarHBondContact O-CA 3.37Å; I88-Y227 PolarHBondContact O-N 3.12Å
89Y98.6Very high94.6Very high0 Ų039.6 Ų39.60%019%0.194CC..EExtended strand (participates in β ladder)trans-93.1122.8172.4172.8-79.6000109S91 A102 L105 Y167 L168 V169 I170 F171 Y227 V229Y89-S91 WeakPolarHBondContact OH-CB 3.48Å; Y89-S91 PolarHBondContact OH-OG 3.03Å; Y89-A102 HydrophobicContact CD1-CB 4.28Å; Y89-A102 HydrophobicContact CE1-CB 3.99Å; Y89-A102 HydrophobicContact CE2-CB 4.27Å; Y89-L105 HydrophobicContact CE2-CD1 3.71Å; Y89-Y167 AromaticContact CD2-CE1 3.95Å; Y89-Y167 HydrophobicContact CD2-CE1 3.95Å; Y89-Y167 HydrophobicContact CG-CE1 4.08Å; Y89-L168 PolarHBondContact N-O 2.88Å; Y89-V169 HydrophobicContact CD1-CB 4.3Å; Y89-V169 HydrophobicContact CD1-CG1 3.78Å; Y89-V169 HydrophobicContact CD1-CG2 4.18Å; Y89-V169 HydrophobicContact CE1-CG1 4.21Å; Y89-V169 HydrophobicContact CG-CG2 4.33Å; Y89-I170 PolarHBondContact O-N 2.79Å; Y89-F171 HydrophobicContact CE1-CE1 4.34Å; Y89-Y227 WeakPolarHBondContact CA-O 3.47Å; Y89-V229 HydrophobicContact CD2-CB 4.36Å; Y89-V229 HydrophobicContact CD2-CG2 3.83Å; Y89-V229 HydrophobicContact CE2-CB 3.58Å; Y89-V229 HydrophobicContact CE2-CG1 3.91Å; Y89-V229 HydrophobicContact CE2-CG2 3.38Å; Y89-V229 WeakPolarHBondContact OH-CG1 3.13Å
90L98.8Very high94.8Very high1 Ų134.1 Ų34.11%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-117.8126.1176.4-58.5-175.3000109.5I88 I170 P172 V226 Y227 V229 W282 M283I88-L90 HydrophobicContact CG2-CD2 3.55Å; I88-L90 HydrophobicContact CG2-CG 4Å; L90-I170 HydrophobicContact CD2-CB 3.85Å; L90-I170 HydrophobicContact CD2-CG1 4.5Å; L90-I170 HydrophobicContact CD2-CG2 4.49Å; L90-P172 HydrophobicContact CB-CG 4.46Å; L90-P172 HydrophobicContact CD2-CG 3.98Å; L90-V226 HydrophobicContact CB-CG1 4.4Å; L90-V226 HydrophobicContact CD1-CG1 3.67Å; L90-V226 HydrophobicContact CG-CG1 3.77Å; L90-Y227 PolarHBondContact N-O 2.59Å; L90-V229 PolarHBondContact O-N 3.44Å; L90-W282 HydrophobicContact CD1-CH2 4.21Å; L90-W282 HydrophobicContact CD1-CZ3 4.17Å; L90-M283 HydrophobicContact CD1-CE 3.62Å; L90-M283 HydrophobicContact CD1-SD 3.87Å
91S98.7Very high95Very high0 Ų032.2 Ų32.20%016%0.155CC..EExtended strand (participates in β ladder)trans-141.8157.7-179.7-179.50000112.8Y89 I170 P172 V229Y89-S91 WeakPolarHBondContact OH-CB 3.48Å; Y89-S91 PolarHBondContact OH-OG 3.03Å; S91-I170 PolarHBondContact N-O 2.81Å; S91-P172 WeakPolarHBondContact O-CD 3.37Å; S91-V229 VanDerWaalsContact CA-O 3.23Å; S91-V229 WeakPolarHBondContact CA-O 3.17Å; S91-V229 WeakPolarHBondContact CB-O 3.45Å; S91-V229 PolarHBondContact OG-O 3Å
92N98.5Very high95.3Very high0 Ų031.1 Ų31.10%015%0.148CC..  trans-63.2157.1159.265.5-52000110.3Q94 F171 E173 T204 T230 V231 K290N92-Q94 PolarHBondContact ND2-NE2 3.12Å; N92-F171 WeakPolarHBondContact O-CD1 3.5Å; N92-E173 WeakPolarHBondContact CA-OE1 3.43Å; N92-E173 VanDerWaalsContact CB-OE1 3.25Å; N92-E173 WeakPolarHBondContact CB-OE1 3.28Å; N92-T204 HydrophobicContact CB-CG2 3.96Å; N92-T230 WeakPolarHBondContact OD1-CA 3.42Å; N92-V231 PolarHBondContact ND2-O 3.28Å; N92-V231 PolarHBondContact OD1-N 3.15Å; N92-K290 HydrophobicContact CB-CD 4.36Å
93H97.1Very high95.9Very high27 Ų2721.6 Ų21.613%0.12511%0.106CC..  trans-132.7115.4-173.2-16726.7000110C95 D98 F171 E173 R176 Y177H93-C95 PolarHBondContact CE1-O 2.82Å; H93-C95 VanDerWaalsContact CE1-O 3.25Å; H93-D98 WeakPolarHBondContact CA-OD2 3.38Å; H93-D98 IonicContact CE1-OD2 3.93Å; H93-D98 IonicContact CG-OD2 3.17Å; H93-D98 IonicContact ND1-OD2 3.74Å; H93-D98 PolarHBondContact ND1-OD2 2.98Å; H93-F171 HydrophobicContact CB-CB 3.87Å; H93-F171 HydrophobicContact CB-CD1 3.71Å; H93-F171 HydrophobicContact CB-CG 3.97Å; H93-F171 AromaticContact CG-CD1 3.91Å; H93-F171 AromaticContact CG-CG 3.84Å; H93-E173 PolarHBondContact N-OE1 3.2Å; H93-R176 VanDerWaalsContact CD2-CG 3.49Å; H93-R176 WeakPolarHBondContact CD2-CG 3.44Å; H93-R176 VanDerWaalsContact CE1-CG 3.43Å; H93-R176 WeakPolarHBondContact CE1-CG 3.41Å; H93-R176 WeakPolarHBondContact NE2-CG 3.33Å; H93-R176 CarbonylContact O-C 3.57Å; H93-R176 VanDerWaalsContact O-CA 3.3Å; H93-R176 WeakPolarHBondContact O-CA 3.34Å; H93-Y177 PolarHBondContact O-N 3.28Å
94Q96.2Very high96.4Very high10 Ų1015.5 Ų15.55%0.0477%0.074CC..  trans-121.4-35.1-173.1-61.9170.785.400112.7N92 D98 Y177 V231 Y233 A246N92-Q94 PolarHBondContact ND2-NE2 3.12Å; Q94-D98 PolarHBondContact N-OD2 3.46Å; Q94-Y177 WeakPolarHBondContact CA-O 3.44Å; Q94-V231 PolarHBondContact NE2-O 3.27Å; Q94-Y233 HydrophobicContact CB-CE2 4.23Å; Q94-A246 HydrophobicContact CB-CB 3.69Å
95C93.7Very high96.7Very high5 Ų511.6 Ų11.63%0.0346%0.057CC..SBendtrans-145.2179.9-175.670.60000112.9H93 A97 D98 R176 Y233 A246 P247H93-C95 PolarHBondContact CE1-O 2.82Å; H93-C95 VanDerWaalsContact CE1-O 3.25Å; C95-A97 PolarHBondContact O-N 2.93Å; C95-A97 PolarHBondContact SG-N 3.32Å; C95-D98 PolarHBondContact N-OD2 3.27Å; C95-R176 VanDerWaalsContact C-CD 3.44Å; C95-R176 WeakPolarHBondContact O-CD 3.02Å; C95-Y233 VanDerWaalsContact SG-CZ 3.58Å; C95-Y233 PolarHBondContact SG-OH 3.24Å; C95-Y233 VanDerWaalsContact SG-OH 3.34Å; C95-A246 HydrophobicContact CB-CB 3.83Å; C95-P247 WeakPolarHBondContact CB-O 3.25Å; C95-P247 PolarHBondContact SG-O 2.86Å
96T90.9Very high96.8Very high53 Ų5310.1 Ų10.133%0.3255%0.05SC..THydrogen-bonded Turntrans-72-14.8173.9410000113.1W99 M249T96-W99 PolarHBondContact O-NE1 3.45Å; T96-M249 WeakPolarHBondContact OG1-CG 3.42Å; T96-M249 PolarHBondContact OG1-N 2.84Å
97A93.1Very high96.8Very high0 Ų08.4 Ų8.40%04%0.041CC..THydrogen-bonded Turntrans-84.6-9.2-179.600000113.4C95 W99 I100 I101 F252C95-A97 PolarHBondContact O-N 2.93Å; C95-A97 PolarHBondContact SG-N 3.32Å; A97-W99 PolarHBondContact O-N 3.3Å; A97-I100 WeakPolarHBondContact O-CA 3.34Å; A97-I100 WeakPolarHBondContact O-CB 3.25Å; A97-I100 PolarHBondContact O-N 2.77Å; A97-I101 PolarHBondContact O-N 2.81Å; A97-F252 HydrophobicContact CB-CD2 3.84Å; A97-F252 HydrophobicContact CB-CE2 4.29Å
98D96.6Very high96.7Very high1 Ų111 Ų111%0.0055%0.05CC..Hα-helixtrans-58.9-28.7-174.3-63.1-40.5000114.5H93 Q94 C95 I100 I101 A102 F171 Y233H93-D98 WeakPolarHBondContact CA-OD2 3.38Å; H93-D98 IonicContact CE1-OD2 3.93Å; H93-D98 IonicContact CG-OD2 3.17Å; H93-D98 IonicContact ND1-OD2 3.74Å; H93-D98 PolarHBondContact ND1-OD2 2.98Å; Q94-D98 PolarHBondContact N-OD2 3.46Å; C95-D98 PolarHBondContact N-OD2 3.27Å; D98-I100 VanDerWaalsContact C-N 3.3Å; D98-I100 PolarHBondContact O-N 3.13Å; D98-I101 WeakPolarHBondContact O-CB 2.98Å; D98-I101 PolarHBondContact O-N 3.29Å; D98-A102 PolarHBondContact O-N 2.89Å; D98-F171 HydrophobicContact CB-CE1 3.7Å; D98-F171 HydrophobicContact CB-CZ 3.65Å; D98-Y233 WeakPolarHBondContact OD1-CE2 3.38Å; D98-Y233 PolarHBondContact OD1-OH 3.46Å
99W95.9Very high96.5Very high70 Ų7011.2 Ų11.227%0.2655%0.051SC..Hα-helixtrans-68-31.9175.467.4-90.4000112.1V62 T96 A97 I101 A102 D103 Y117 M249V62-W99 HydrophobicContact CG1-CH2 3.92Å; V62-W99 HydrophobicContact CG1-CZ3 4.37Å; T96-W99 PolarHBondContact O-NE1 3.45Å; A97-W99 PolarHBondContact O-N 3.3Å; W99-I101 PolarHBondContact O-N 3.09Å; W99-A102 WeakPolarHBondContact O-CB 3.34Å; W99-A102 PolarHBondContact O-N 3.44Å; W99-D103 VanDerWaalsContact CZ3-OD2 3.29Å; W99-D103 WeakPolarHBondContact CZ3-OD2 3.33Å; W99-D103 PolarHBondContact O-N 2.86Å; W99-D103 VanDerWaalsContact O-N 3.07Å; W99-Y117 HydrophobicContact CB-CD1 4.47Å; W99-Y117 HydrophobicContact CB-CE1 3.67Å; W99-Y117 PolarHBondContact O-OH 2.84Å; W99-Y117 VanDerWaalsContact O-OH 3.14Å; W99-M249 HydrophobicContact CZ2-CE 4.23Å
100I97.6Very high96.2Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-61.7-36.2172.6-61.9-72.2000110.1V62 L63 F66 A97 D98 A102 D103 M104V62-I100 HydrophobicContact CG1-CD1 3.5Å; V62-I100 VanDerWaalsContact CG1-CD1 3.5Å; L63-I100 HydrophobicContact CD2-CG2 3.88Å; F66-I100 HydrophobicContact CB-CD1 4.47Å; F66-I100 HydrophobicContact CB-CG2 3.6Å; F66-I100 HydrophobicContact CD1-CD1 4.32Å; F66-I100 HydrophobicContact CD1-CG1 4.03Å; F66-I100 HydrophobicContact CD1-CG2 4.08Å; F66-I100 HydrophobicContact CD2-CD1 3.6Å; F66-I100 HydrophobicContact CD2-CG1 4.21Å; F66-I100 HydrophobicContact CE1-CG1 4.16Å; F66-I100 HydrophobicContact CE2-CD1 3.8Å; F66-I100 HydrophobicContact CE2-CG1 4.32Å; F66-I100 HydrophobicContact CG-CD1 3.88Å; F66-I100 HydrophobicContact CG-CG1 4.07Å; F66-I100 HydrophobicContact CG-CG2 3.84Å; F66-I100 HydrophobicContact CZ-CD1 4.27Å; F66-I100 HydrophobicContact CZ-CG1 4.31Å; A97-I100 WeakPolarHBondContact O-CA 3.34Å; A97-I100 WeakPolarHBondContact O-CB 3.25Å; A97-I100 PolarHBondContact O-N 2.77Å; D98-I100 VanDerWaalsContact C-N 3.3Å; D98-I100 PolarHBondContact O-N 3.13Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 3.32Å; I100-D103 CarbonylContact O-C 3.51Å; I100-D103 WeakPolarHBondContact O-CB 3.36Å; I100-D103 PolarHBondContact O-N 2.98Å; I100-D103 VanDerWaalsContact O-N 3.13Å; I100-M104 HydrophobicContact CG2-CE 3.68Å; I100-M104 HydrophobicContact CG2-CG 4.23Å; I100-M104 HydrophobicContact CG2-SD 4.17Å; I100-M104 VanDerWaalsContact O-CG 3.28Å; I100-M104 WeakPolarHBondContact O-CG 3.37Å; I100-M104 PolarHBondContact O-N 2.95Å
101I97.9Very high96Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-66.4-38.2179.3-47.7-51.5000110.8A97 D98 W99 D103 M104 L105 V231 Y233 I260 I262A97-I101 PolarHBondContact O-N 2.81Å; D98-I101 WeakPolarHBondContact O-CB 2.98Å; D98-I101 PolarHBondContact O-N 3.29Å; W99-I101 PolarHBondContact O-N 3.09Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-M104 HydrophobicContact CD1-SD 3.74Å; I101-M104 PolarHBondContact O-N 2.88Å; I101-L105 WeakPolarHBondContact O-CG 3.33Å; I101-L105 PolarHBondContact O-N 2.94Å; I101-L105 VanDerWaalsContact O-N 3.08Å; I101-V231 HydrophobicContact CB-CG2 4.49Å; I101-V231 HydrophobicContact CG1-CG1 4.4Å; I101-V231 HydrophobicContact CG2-CG1 4.37Å; I101-V231 HydrophobicContact CG2-CG2 3.84Å; I101-Y233 HydrophobicContact CD1-CE1 4.49Å; I101-I260 HydrophobicContact CD1-CD1 3.5Å; I101-I260 HydrophobicContact CD1-CG2 4.4Å; I101-I262 HydrophobicContact CG2-CD1 3.49Å; I101-I262 VanDerWaalsContact CG2-CD1 3.49Å; I101-I262 HydrophobicContact CG2-CG1 4.08Å
102A98.1Very high95.9Very high0 Ų015.2 Ų15.20%08%0.079CC..Hα-helixtrans-62.5-41.9171.300000111.6Y89 D98 W99 I100 L105 A106 I115 V169Y89-A102 HydrophobicContact CD1-CB 4.28Å; Y89-A102 HydrophobicContact CE1-CB 3.99Å; Y89-A102 HydrophobicContact CE2-CB 4.27Å; D98-A102 PolarHBondContact O-N 2.89Å; W99-A102 WeakPolarHBondContact O-CB 3.34Å; W99-A102 PolarHBondContact O-N 3.44Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 3.32Å; A102-L105 PolarHBondContact O-N 3.46Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.45Å; A102-I115 HydrophobicContact CB-CD1 4.07Å; A102-V169 HydrophobicContact CB-CG1 4.18Å; A102-V169 HydrophobicContact CB-CG2 3.67Å
103D98.1Very high95.7Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-64.2-40.7175.3-74.7-10.5000112.3Q59 L63 W99 I100 I101 L105 A106 I107 I112 I115 Y117Q59-D103 PolarHBondContact OE1-OD2 3.35Å; L63-D103 HydrophobicContact CD1-CB 4.17Å; L63-D103 HydrophobicContact CD2-CB 3.89Å; L63-D103 HydrophobicContact CG-CB 4.27Å; W99-D103 VanDerWaalsContact CZ3-OD2 3.29Å; W99-D103 WeakPolarHBondContact CZ3-OD2 3.33Å; W99-D103 PolarHBondContact O-N 2.86Å; W99-D103 VanDerWaalsContact O-N 3.07Å; I100-D103 CarbonylContact O-C 3.51Å; I100-D103 WeakPolarHBondContact O-CB 3.36Å; I100-D103 PolarHBondContact O-N 2.98Å; I100-D103 VanDerWaalsContact O-N 3.13Å; I101-D103 VanDerWaalsContact C-N 3.35Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 2.83Å; D103-A106 PolarHBondContact O-N 3.02Å; D103-A106 VanDerWaalsContact O-N 3.17Å; D103-I107 PolarHBondContact O-N 3.18Å; D103-I112 HydrophobicContact CB-CD1 4.46Å; D103-I115 WeakPolarHBondContact OD1-CD1 3.31Å; D103-Y117 VanDerWaalsContact CG-OH 3.25Å; D103-Y117 PolarHBondContact OD1-OH 3.09Å
104M97.8Very high95.5Very high0 Ų015.6 Ų15.60%08%0.082CC..Hα-helixtrans-58.7-42.4175-73.1171.3169.800111L63 F66 E67 V72 I74 I100 I101 I107 R108 F252L63-M104 HydrophobicContact CD2-CG 3.79Å; F66-M104 HydrophobicContact CB-CE 4.23Å; F66-M104 WeakPolarHBondContact O-CE 3.28Å; E67-M104 HydrophobicContact CB-CE 3.86Å; E67-M104 HydrophobicContact CG-CE 3.98Å; E67-M104 WeakPolarHBondContact OE2-CG 3.15Å; V72-M104 HydrophobicContact CG1-CE 4.15Å; I74-M104 HydrophobicContact CD1-CE 4.24Å; I74-M104 HydrophobicContact CD1-SD 3.69Å; I74-M104 HydrophobicContact CG1-SD 4.26Å; I100-M104 HydrophobicContact CG2-CE 3.68Å; I100-M104 HydrophobicContact CG2-CG 4.23Å; I100-M104 HydrophobicContact CG2-SD 4.17Å; I100-M104 VanDerWaalsContact O-CG 3.28Å; I100-M104 WeakPolarHBondContact O-CG 3.37Å; I100-M104 PolarHBondContact O-N 2.95Å; I101-M104 HydrophobicContact CD1-SD 3.74Å; I101-M104 PolarHBondContact O-N 2.88Å; M104-I107 VanDerWaalsContact O-CG2 3.24Å; M104-I107 WeakPolarHBondContact O-CG2 3.47Å; M104-R108 WeakPolarHBondContact O-CD 3.5Å; M104-R108 WeakPolarHBondContact O-CG 3.46Å; M104-R108 PolarHBondContact O-NH1 3.4Å; M104-F252 HydrophobicContact CE-CZ 4.23Å
105L97.4Very high95.5Very high1 Ų115.1 Ų15.11%0.0058%0.08CC..Hα-helixtrans-71.3-37.5175.1-67.4168.9000112.1I76 I80 Y89 I101 A102 D103 R108 Q109 V229 I262 F264I76-L105 HydrophobicContact CD1-CD2 4.06Å; I80-L105 HydrophobicContact CD1-CD2 3.49Å; I80-L105 VanDerWaalsContact CD1-CD2 3.49Å; I80-L105 HydrophobicContact CG1-CD2 4.43Å; Y89-L105 HydrophobicContact CE2-CD1 3.71Å; I101-L105 WeakPolarHBondContact O-CG 3.33Å; I101-L105 PolarHBondContact O-N 2.94Å; I101-L105 VanDerWaalsContact O-N 3.08Å; A102-L105 PolarHBondContact O-N 3.46Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 2.83Å; L105-R108 PolarHBondContact O-N 3.39Å; L105-Q109 PolarHBondContact O-NE2 3.02Å; L105-V229 HydrophobicContact CD1-CG1 3.94Å; L105-V229 HydrophobicContact CD1-CG2 4.26Å; L105-I262 HydrophobicContact CD1-CG2 4.03Å; L105-I262 HydrophobicContact CD2-CD1 4.28Å; L105-I262 HydrophobicContact CD2-CG2 4.29Å; L105-I262 HydrophobicContact CG-CD1 4.41Å; L105-F264 HydrophobicContact CD1-CD2 4.42Å; L105-F264 HydrophobicContact CD2-CD2 4.47Å
106A96.9Very high95.7Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-68.3-38.418000000112.5A102 D103 R108 Q109 S110 A111 I112 I115 Y167A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.45Å; D103-A106 PolarHBondContact O-N 3.02Å; D103-A106 VanDerWaalsContact O-N 3.17Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 2.72Å; A106-Q109 CarbonylContact O-C 3.6Å; A106-Q109 PolarHBondContact O-N 2.64Å; A106-Q109 VanDerWaalsContact O-N 3.1Å; A106-S110 PolarHBondContact O-N 3.13Å; A106-A111 HydrophobicContact CB-CB 4.3Å; A106-A111 PolarHBondContact O-N 2.93Å; A106-I112 HydrophobicContact CB-CB 4.41Å; A106-I115 HydrophobicContact CB-CD1 4.14Å; A106-Y167 HydrophobicContact CB-CD2 4.38Å; A106-Y167 HydrophobicContact CB-CE2 4.16Å
107I96Very high95.9Very high8 Ų813.3 Ų13.34%0.0417%0.067CC..Hα-helixtrans-65.7-33.3178.6-165.4162000112.3L63 D103 M104 Q109 S110 I112 L318 K322L63-I107 HydrophobicContact CD1-CB 3.79Å; L63-I107 HydrophobicContact CD1-CD1 3.84Å; L63-I107 HydrophobicContact CD1-CG1 4.43Å; L63-I107 HydrophobicContact CD1-CG2 3.54Å; D103-I107 PolarHBondContact O-N 3.18Å; M104-I107 VanDerWaalsContact O-CG2 3.24Å; M104-I107 WeakPolarHBondContact O-CG2 3.47Å; I107-Q109 PolarHBondContact O-N 2.73Å; I107-S110 PolarHBondContact O-N 2.8Å; I107-S110 VanDerWaalsContact O-N 3.12Å; I107-I112 HydrophobicContact CB-CB 4.39Å; I107-I112 HydrophobicContact CB-CD1 4.23Å; I107-I112 HydrophobicContact CD1-CD1 4.3Å; I107-L318 HydrophobicContact CD1-CD1 4.1Å; I107-L318 HydrophobicContact CD1-CD2 4.38Å; I107-L318 HydrophobicContact CG1-CD1 4.23Å; I107-L318 HydrophobicContact CG2-CD1 3.74Å; I107-L318 HydrophobicContact CG2-CD2 4.42Å; I107-K322 HydrophobicContact CD1-CB 4.07Å; I107-K322 HydrophobicContact CG1-CB 4.42Å
108R94.8Very high96.1Very high55 Ų5514.5 Ų14.521%0.2087%0.073CC..Hα-helixtrans-64-21.4175-70.716517370.8-3.9112.5E67 M104 L105 A106 S316E67-R108 VanDerWaalsContact CD-NH2 3.3Å; E67-R108 IonicContact OE1-CZ 3.94Å; E67-R108 IonicContact OE1-NH1 2.73Å; E67-R108 IonicContact OE1-NH2 3.29Å; E67-R108 PolarHBondContact OE1-NH2 3.29Å; E67-R108 IonicContact OE2-CZ 3.39Å; E67-R108 IonicContact OE2-NH1 2.64Å; E67-R108 PolarHBondContact OE2-NH1 3.14Å; E67-R108 IonicContact OE2-NH2 3.14Å; E67-R108 PolarHBondContact OE2-NH2 3.41Å; M104-R108 WeakPolarHBondContact O-CD 3.5Å; M104-R108 WeakPolarHBondContact O-CG 3.46Å; M104-R108 PolarHBondContact O-NH1 3.4Å; L105-R108 PolarHBondContact O-N 3.39Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 2.72Å; R108-S316 PolarHBondContact NE-OG 3.41Å; R108-S316 PolarHBondContact NH2-O 2.73Å
109Q93.6Very high95.9Very high4 Ų415.5 Ų15.52%0.0198%0.079CC..THydrogen-bonded Turntrans-106.57.2179.1-61.217376.100112.8I80 P81 L105 A106 I107 A111 Y227I80-Q109 VanDerWaalsContact CG2-CD 3.46Å; I80-Q109 HydrophobicContact CG2-CG 3.4Å; I80-Q109 VanDerWaalsContact CG2-CG 3.4Å; P81-Q109 WeakPolarHBondContact O-CG 3.46Å; L105-Q109 PolarHBondContact O-NE2 3.02Å; A106-Q109 CarbonylContact O-C 3.6Å; A106-Q109 PolarHBondContact O-N 2.64Å; A106-Q109 VanDerWaalsContact O-N 3.1Å; I107-Q109 PolarHBondContact O-N 2.73Å; Q109-A111 HydrophobicContact CB-CB 4.19Å; Q109-A111 PolarHBondContact O-N 2.98Å; Q109-Y227 VanDerWaalsContact OE1-CZ 3.29Å; Q109-Y227 PolarHBondContact OE1-OH 3.1Å
110S93.1Very high95.7Very high80 Ų8017.7 Ų17.756%0.5599%0.09SC*.THydrogen-bonded Turntrans54.132-172-51.40000113.3A106 I107A106-S110 PolarHBondContact O-N 3.13Å; I107-S110 PolarHBondContact O-N 2.8Å; I107-S110 VanDerWaalsContact O-N 3.12Å
111A95.3Very high95.4Very high1 Ų119.1 Ų19.11%0.00810%0.098CC..  trans-106.2-5.8-174.400000113.9K84 A106 Q109 G113 H114 Y167K84-A111 HydrophobicContact CG-CB 4.21Å; A106-A111 HydrophobicContact CB-CB 4.3Å; A106-A111 PolarHBondContact O-N 2.93Å; Q109-A111 HydrophobicContact CB-CB 4.19Å; Q109-A111 PolarHBondContact O-N 2.98Å; A111-G113 VanDerWaalsContact C-N 3.28Å; A111-G113 PolarHBondContact O-N 2.85Å; A111-G113 VanDerWaalsContact O-N 3.13Å; A111-H114 WeakPolarHBondContact O-CA 3.41Å; A111-H114 WeakPolarHBondContact O-CB 3.43Å; A111-H114 PolarHBondContact O-N 3.32Å; A111-Y167 HydrophobicContact CB-CD2 3.79Å; A111-Y167 HydrophobicContact CB-CE2 4.32Å
112I95.3Very high95.1Very high4 Ų421 Ų212%0.02112%0.117CC..G310 helixtrans-54.9-36.1-171-164.1176.6000114.4Y55 C56 Q59 L63 D103 A106 I107 H114 I115Y55-I112 WeakPolarHBondContact CD1-O 3.32Å; C56-I112 HydrophobicContact CB-CG2 4.02Å; C56-I112 WeakPolarHBondContact SG-CG2 3.45Å; Q59-I112 HydrophobicContact CB-CD1 3.4Å; Q59-I112 HydrophobicContact CB-CG1 3.73Å; L63-I112 HydrophobicContact CD1-CD1 3.6Å; L63-I112 HydrophobicContact CG-CD1 4.25Å; D103-I112 HydrophobicContact CB-CD1 4.46Å; A106-I112 HydrophobicContact CB-CB 4.41Å; I107-I112 HydrophobicContact CB-CB 4.39Å; I107-I112 HydrophobicContact CB-CD1 4.23Å; I107-I112 HydrophobicContact CD1-CD1 4.3Å; I112-H114 PolarHBondContact O-N 3.47Å; I112-I115 VanDerWaalsContact O-CG2 3.27Å; I112-I115 WeakPolarHBondContact O-CG2 3.41Å; I112-I115 PolarHBondContact O-N 3.19Å
113G95.1Very high94.8Very high4 Ų423.9 Ų23.94%0.04113%0.132CC..G310 helixtrans-65.4-19.9176.400000114.7D52 A111 R116 H136D52-G113 WeakPolarHBondContact CA-O 3.42Å; D52-G113 WeakPolarHBondContact CB-O 3.5Å; D52-G113 VanDerWaalsContact CG-O 3.3Å; D52-G113 WeakPolarHBondContact O-CA 3.42Å; A111-G113 VanDerWaalsContact C-N 3.28Å; A111-G113 PolarHBondContact O-N 2.85Å; A111-G113 VanDerWaalsContact O-N 3.13Å; G113-R116 PolarHBondContact O-NH1 3.43Å; G113-R116 VanDerWaalsContact O-NH1 3.14Å; G113-H136 PolarHBondContact O-CE1 2.93Å; G113-H136 PolarHBondContact O-NE2 3.31Å
114H93.1Very high94.6Very high31 Ų3125 Ų2514%0.14414%0.137CC..G310 helixtrans-103.34.2-173.6-52.8-69000112.6D52 K84 A111 I112 R116 P165 Y167D52-H114 IonicContact OD2-CE1 3.24Å; D52-H114 PolarHBondContact OD2-CE1 2.73Å; D52-H114 IonicContact OD2-CG 3.66Å; D52-H114 IonicContact OD2-ND1 2.9Å; D52-H114 PolarHBondContact OD2-ND1 3.5Å; K84-H114 WeakPolarHBondContact CE-CD2 3.46Å; K84-H114 PolarHBondContact NZ-CD2 2.9Å; K84-H114 PolarHBondContact NZ-CE1 3.2Å; K84-H114 PolarHBondContact NZ-NE2 3.12Å; A111-H114 WeakPolarHBondContact O-CA 3.41Å; A111-H114 WeakPolarHBondContact O-CB 3.43Å; A111-H114 PolarHBondContact O-N 3.32Å; I112-H114 PolarHBondContact O-N 3.47Å; H114-R116 VanDerWaalsContact C-NH1 3.26Å; H114-P165 HydrophobicContact CB-CB 4.12Å; H114-Y167 PolarHBondContact O-N 2.84Å
115I96.3Very high94.4Very high0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-72.7138.3-179.9-153.8166.9000110.3Y55 A102 D103 A106 I112 Y117 Y167 V169Y55-I115 HydrophobicContact CD1-CG2 4.29Å; Y55-I115 HydrophobicContact CE1-CG2 3.38Å; A102-I115 HydrophobicContact CB-CD1 4.07Å; D103-I115 WeakPolarHBondContact OD1-CD1 3.31Å; A106-I115 HydrophobicContact CB-CD1 4.14Å; I112-I115 VanDerWaalsContact O-CG2 3.27Å; I112-I115 WeakPolarHBondContact O-CG2 3.41Å; I112-I115 PolarHBondContact O-N 3.19Å; I115-Y117 HydrophobicContact CD1-CE2 4.36Å; I115-Y117 HydrophobicContact CG1-CE2 4.15Å; I115-Y117 HydrophobicContact CG2-CE2 3.76Å; I115-Y167 CarbonylContact C-O 3.55Å; I115-Y167 VanDerWaalsContact CA-O 3.31Å; I115-Y167 WeakPolarHBondContact CA-O 3.15Å; I115-Y167 HydrophobicContact CD1-CD1 4Å; I115-Y167 HydrophobicContact CD1-CE1 4.32Å; I115-Y167 HydrophobicContact CG1-CD1 3.85Å; I115-Y167 HydrophobicContact CG1-CG 4.36Å; I115-Y167 VanDerWaalsContact CG1-O 3.32Å; I115-Y167 WeakPolarHBondContact CG1-O 3.17Å; I115-V169 HydrophobicContact CD1-CG2 3.56Å; I115-V169 HydrophobicContact CG1-CG2 3.62Å
116R96.2Very high94.3Very high2 Ų232.9 Ų32.91%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-134.2150.1-179.3-56.9-64.3-177.2-97.37.6107.3D52 G113 H114 H136 M166 Y167 L168 V169D52-R116 IonicContact OD1-CZ 2.68Å; D52-R116 IonicContact OD1-NH1 3.51Å; D52-R116 IonicContact OD1-NH2 3.2Å; D52-R116 PolarHBondContact OD1-NH2 2.65Å; G113-R116 PolarHBondContact O-NH1 3.43Å; G113-R116 VanDerWaalsContact O-NH1 3.14Å; H114-R116 VanDerWaalsContact C-NH1 3.26Å; R116-H136 WeakPolarHBondContact CD-O 3.45Å; R116-H136 PolarHBondContact NE-O 3.38Å; R116-H136 PolarHBondContact NH1-CD2 3.22Å; R116-H136 PolarHBondContact NH1-CE1 3.1Å; R116-H136 PolarHBondContact NH1-NE2 3.34Å; R116-M166 HydrophobicContact CB-CE 4.09Å; R116-M166 HydrophobicContact CG-CE 3.82Å; R116-M166 HydrophobicContact CG-SD 3.83Å; R116-Y167 PolarHBondContact N-O 2.87Å; R116-L168 HydrophobicContact CB-CD1 3.88Å; R116-L168 CarbonylContact O-C 3.57Å; R116-L168 WeakPolarHBondContact O-CA 3.26Å; R116-V169 PolarHBondContact O-N 3Å
117Y96.5Very high94.2Very high19 Ų1935.4 Ų35.48%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-126.4139.3-173.8-70.3-85.9000111.9W99 D103 I115 L119 G138 I139 V169W99-Y117 HydrophobicContact CB-CD1 4.47Å; W99-Y117 HydrophobicContact CB-CE1 3.67Å; W99-Y117 PolarHBondContact O-OH 2.84Å; W99-Y117 VanDerWaalsContact O-OH 3.14Å; D103-Y117 VanDerWaalsContact CG-OH 3.25Å; D103-Y117 PolarHBondContact OD1-OH 3.09Å; I115-Y117 HydrophobicContact CD1-CE2 4.36Å; I115-Y117 HydrophobicContact CG1-CE2 4.15Å; I115-Y117 HydrophobicContact CG2-CE2 3.76Å; Y117-L119 VanDerWaalsContact CB-CD2 3.47Å; Y117-L119 HydrophobicContact CG-CD2 4.21Å; Y117-L119 PolarHBondContact O-N 2.92Å; Y117-G138 WeakPolarHBondContact O-CA 3.47Å; Y117-I139 PolarHBondContact O-N 3.4Å; Y117-V169 HydrophobicContact CD1-CB 3.51Å; Y117-V169 HydrophobicContact CD1-CG1 3.71Å; Y117-V169 HydrophobicContact CD1-CG2 4.08Å; Y117-V169 HydrophobicContact CE1-CB 3.64Å; Y117-V169 HydrophobicContact CE1-CG1 3.69Å; Y117-V169 HydrophobicContact CE1-CG2 3.74Å; Y117-V169 HydrophobicContact CG-CB 4.37Å
118V95.9Very high94.2Very high24 Ų2435.1 Ų35.115%0.14519%0.186CC..EExtended strand (participates in β ladder)trans-82.3107.4156.2177.20000108I139 V141 M152 L168 V169 I170V118-I139 CarbonylContact C-O 3.55Å; V118-I139 WeakPolarHBondContact CA-O 3.36Å; V118-I139 HydrophobicContact CG2-CB 4.46Å; V118-V141 HydrophobicContact CG1-CB 4.31Å; V118-V141 HydrophobicContact CG1-CG1 3.68Å; V118-V141 HydrophobicContact CG1-CG2 3.6Å; V118-M152 HydrophobicContact CG2-CE 4.12Å; V118-L168 HydrophobicContact CG2-CD1 4.25Å; V118-V169 PolarHBondContact N-O 2.99Å; V118-I170 HydrophobicContact CB-CG1 4.37Å; V118-I170 HydrophobicContact CG2-CD1 4.16Å; V118-I170 HydrophobicContact CG2-CG1 3.78Å
119L93.4Very high94.2Very high22 Ų2233.9 Ų33.912%0.11518%0.182CC..EExtended strand (participates in β ladder)trans-105.6148.1-166.4-66.1166.4000111.8Y117 D121 L123 F133 I139 F140 V141Y117-L119 VanDerWaalsContact CB-CD2 3.47Å; Y117-L119 HydrophobicContact CG-CD2 4.21Å; Y117-L119 PolarHBondContact O-N 2.92Å; L119-D121 PolarHBondContact O-N 2.73Å; L119-L123 HydrophobicContact CB-CD1 4.19Å; L119-L123 HydrophobicContact CD2-CD1 3.87Å; L119-F133 HydrophobicContact CD1-CB 3.81Å; L119-F133 HydrophobicContact CD1-CD2 4.26Å; L119-F133 HydrophobicContact CD1-CG 4.26Å; L119-I139 PolarHBondContact N-O 3.13Å; L119-F140 HydrophobicContact CB-CD1 3.64Å; L119-F140 HydrophobicContact CB-CE1 3.78Å; L119-F140 HydrophobicContact CD1-CD1 4.26Å; L119-F140 HydrophobicContact CD1-CE1 3.66Å; L119-F140 HydrophobicContact CD1-CZ 4.16Å; L119-F140 HydrophobicContact CG-CE1 4.38Å; L119-F140 CarbonylContact O-C 3.56Å; L119-F140 WeakPolarHBondContact O-CA 3.4Å; L119-V141 WeakPolarHBondContact O-CG2 3.38Å; L119-V141 PolarHBondContact O-N 3.24Å
120K91.6Very high94.1Very high116 Ų11633.7 Ų33.750%0.50418%0.181SC..EExtended strand (participates in β ladder)trans-60.2131.8167.1-178.9-175.2177.5-173.90109.6G122 L123K120-G122 PolarHBondContact O-N 2.87Å; K120-L123 HydrophobicContact CB-CD1 4.18Å; K120-L123 HydrophobicContact CB-CG 4.23Å; K120-L123 VanDerWaalsContact O-CB 3.31Å; K120-L123 WeakPolarHBondContact O-CB 3.47Å; K120-L123 PolarHBondContact O-N 3.4Å
121D90.9Very high94.1Very high31 Ų3131.9 Ų31.917%0.16616%0.162CC..G310 helixtrans-52.1-35.4-178.5-178.969.6000113.4L119 L123 K124 V141 K142L119-D121 PolarHBondContact O-N 2.73Å; D121-L123 PolarHBondContact O-N 3.17Å; D121-L123 VanDerWaalsContact O-N 3.15Å; D121-K124 WeakPolarHBondContact O-CB 3.44Å; D121-K124 WeakPolarHBondContact O-CD 3.25Å; D121-K124 WeakPolarHBondContact O-CG 3.42Å; D121-K124 PolarHBondContact O-N 2.83Å; D121-K124 WeakPolarHBondContact OD1-CD 3.45Å; D121-K124 IonicContact OD1-NZ 2.77Å; D121-K124 PolarHBondContact OD1-NZ 3.04Å; D121-K124 IonicContact OD2-NZ 2.9Å; D121-K124 PolarHBondContact OD2-NZ 3.48Å; D121-V141 PolarHBondContact N-O 3.33Å; D121-K142 HydrophobicContact CB-CG 3.62Å; D121-K142 WeakPolarHBondContact OD2-CE 3.41Å
122G91.3Very high94.1Very high38 Ų3832 Ų3239%0.39216%0.162SC..G310 helixtrans-60.7-23176.700000115K120 K124 W125K120-G122 PolarHBondContact O-N 2.87Å; G122-K124 PolarHBondContact O-N 2.88Å; G122-W125 PolarHBondContact O-N 2.84Å
123L92.8Very high94.1Very high61 Ų6133.8 Ų33.832%0.31917%0.17SC..G310 helixtrans-69.4-16.1-179-64.9172.9000113L119 K120 D121 W125 L126 G130 F140L119-L123 HydrophobicContact CB-CD1 4.19Å; L119-L123 HydrophobicContact CD2-CD1 3.87Å; K120-L123 HydrophobicContact CB-CD1 4.18Å; K120-L123 HydrophobicContact CB-CG 4.23Å; K120-L123 VanDerWaalsContact O-CB 3.31Å; K120-L123 WeakPolarHBondContact O-CB 3.47Å; K120-L123 PolarHBondContact O-N 3.4Å; D121-L123 PolarHBondContact O-N 3.17Å; D121-L123 VanDerWaalsContact O-N 3.15Å; L123-W125 PolarHBondContact O-N 2.9Å; L123-L126 HydrophobicContact CB-CD1 4.24Å; L123-L126 HydrophobicContact CD2-CD1 3.72Å; L123-L126 HydrophobicContact CD2-CG 4.26Å; L123-L126 WeakPolarHBondContact O-CB 3.23Å; L123-L126 WeakPolarHBondContact O-CG 3.4Å; L123-L126 PolarHBondContact O-N 3.46Å; L123-L126 VanDerWaalsContact O-N 3.1Å; L123-G130 WeakPolarHBondContact O-CA 2.78Å; L123-F140 HydrophobicContact CB-CE1 4.18Å
124K93.4Very high93.9Very high24 Ų2434 Ų3410%0.10417%0.171CC..G310 helixtrans-64.2-17.3174.278.7-168.7-177.9-174.30113.5D121 G122 G130 F140 V362D121-K124 WeakPolarHBondContact O-CB 3.44Å; D121-K124 WeakPolarHBondContact O-CD 3.25Å; D121-K124 WeakPolarHBondContact O-CG 3.42Å; D121-K124 PolarHBondContact O-N 2.83Å; D121-K124 WeakPolarHBondContact OD1-CD 3.45Å; D121-K124 IonicContact OD1-NZ 2.77Å; D121-K124 PolarHBondContact OD1-NZ 3.04Å; D121-K124 IonicContact OD2-NZ 2.9Å; D121-K124 PolarHBondContact OD2-NZ 3.48Å; G122-K124 PolarHBondContact O-N 2.88Å; K124-G130 WeakPolarHBondContact O-CA 3.49Å; K124-F140 HydrophobicContact CB-CD1 4.15Å; K124-F140 HydrophobicContact CB-CD2 4Å; K124-F140 HydrophobicContact CB-CE1 3.85Å; K124-F140 HydrophobicContact CB-CE2 3.66Å; K124-F140 HydrophobicContact CB-CG 4.24Å; K124-F140 HydrophobicContact CB-CZ 3.6Å; K124-V362 HydrophobicContact CB-CG1 3.57Å; K124-V362 HydrophobicContact CB-CG2 4.41Å; K124-V362 HydrophobicContact CD-CG1 3.4Å; K124-V362 HydrophobicContact CG-CG1 3.41Å; K124-V362 VanDerWaalsContact CG-CG1 3.41Å
125W94.4Very high93.8Very high99 Ų9934.4 Ų34.438%0.37517%0.173SC..G310 helixtrans-930.6177.4-55.4112.4000113.3G122 L123 P127 W359 N363G122-W125 PolarHBondContact O-N 2.84Å; L123-W125 PolarHBondContact O-N 2.9Å; W125-P127 WeakPolarHBondContact O-CD 3.44Å; W125-W359 HydrophobicContact CE3-CB 4.28Å; W125-W359 AromaticContact CE3-CD1 3.81Å; W125-W359 AromaticContact CE3-CG 3.96Å; W125-W359 HydrophobicContact CE3-CG 3.96Å; W125-W359 HydrophobicContact CZ3-CB 4.11Å; W125-W359 HydrophobicContact CZ3-CG 4.28Å; W125-W359 PolarHBondContact O-NE1 3.24Å; W125-N363 VanDerWaalsContact CH2-ND2 3.26Å; W125-N363 WeakPolarHBondContact CH2-ND2 3.22Å; W125-N363 WeakPolarHBondContact CH2-OD1 3.42Å; W125-N363 WeakPolarHBondContact CZ3-ND2 3.47Å
126L94.8Very high93.7Very high68 Ų6834.7 Ų34.736%0.35617%0.174SC..SBendtrans-60.5124.3174.6-74176.3000109.8L123 L128 Y129 G130 F133L123-L126 HydrophobicContact CB-CD1 4.24Å; L123-L126 HydrophobicContact CD2-CD1 3.72Å; L123-L126 HydrophobicContact CD2-CG 4.26Å; L123-L126 WeakPolarHBondContact O-CB 3.23Å; L123-L126 WeakPolarHBondContact O-CG 3.4Å; L123-L126 PolarHBondContact O-N 3.46Å; L123-L126 VanDerWaalsContact O-N 3.1Å; L126-L128 PolarHBondContact O-N 3.06Å; L126-Y129 HydrophobicContact CB-CD2 4.45Å; L126-Y129 PolarHBondContact O-N 3.23Å; L126-G130 PolarHBondContact O-N 3.02Å; L126-F133 HydrophobicContact CD1-CE2 4.08Å
127P95.4Very high93.5Very high53 Ų5334.8 Ų34.834%0.34418%0.175SC..THydrogen-bonded Turntrans-50.9131.8177.4-3037.7000111.1W125 Y129 W351 T355 W359W125-P127 WeakPolarHBondContact O-CD 3.44Å; P127-Y129 WeakPolarHBondContact O-CD2 3.43Å; P127-Y129 PolarHBondContact O-N 2.98Å; P127-W351 HydrophobicContact CB-CE3 4.34Å; P127-W351 HydrophobicContact CB-CZ3 3.98Å; P127-T355 WeakPolarHBondContact CA-OG1 3.09Å; P127-T355 HydrophobicContact CB-CG2 3.85Å; P127-T355 WeakPolarHBondContact CB-OG1 3.18Å; P127-T355 HydrophobicContact CG-CG2 4.28Å; P127-W359 HydrophobicContact CG-CZ2 4.44Å
128L94.6Very high93.4Very high2 Ų234 Ų341%0.0117%0.173CC..THydrogen-bonded Turntrans62.4-33.1-174.7-58.6-173.4000117.6A25 P26 V29 L126 W131 T350 W351 T355A25-L128 HydrophobicContact CB-CD1 3.99Å; P26-L128 HydrophobicContact CG-CD1 4.21Å; V29-L128 HydrophobicContact CG2-CB 4.1Å; L126-L128 PolarHBondContact O-N 3.06Å; L128-W131 PolarHBondContact O-NE1 2.89Å; L128-T350 WeakPolarHBondContact CD2-O 3.49Å; L128-W351 HydrophobicContact CB-CZ3 4.32Å; L128-W351 HydrophobicContact CD1-CD2 3.64Å; L128-W351 HydrophobicContact CD1-CE3 3.39Å; L128-W351 HydrophobicContact CD1-CG 4.33Å; L128-W351 HydrophobicContact CD1-CH2 3.92Å; L128-W351 HydrophobicContact CD1-CZ2 4.16Å; L128-W351 HydrophobicContact CD1-CZ3 3.53Å; L128-W351 HydrophobicContact CG-CD2 4.3Å; L128-W351 HydrophobicContact CG-CE3 3.6Å; L128-W351 HydrophobicContact CG-CZ3 3.71Å; L128-T355 PolarHBondContact N-OG1 2.93Å
129Y94.3Very high93.3Very high29 Ų2933.1 Ų33.111%0.11417%0.168CC..Hα-helixtrans-89.5-37.6-171.1-59.8-78.8000114L22 A25 Y58 L126 P127 W131 Y132 F133L22-Y129 HydrophobicContact CD2-CE2 4.11Å; L22-Y129 WeakPolarHBondContact CD2-OH 3.33Å; A25-Y129 HydrophobicContact CB-CE1 4.26Å; A25-Y129 HydrophobicContact CB-CE2 4.45Å; A25-Y129 VanDerWaalsContact CB-OH 3.28Å; A25-Y129 WeakPolarHBondContact CB-OH 3.44Å; Y58-Y129 HydrophobicContact CE1-CE1 4.07Å; Y58-Y129 AromaticContact CZ-CE1 3.83Å; Y58-Y129 WeakPolarHBondContact OH-CE1 3.41Å; Y58-Y129 PolarHBondContact OH-OH 3.26Å; L126-Y129 HydrophobicContact CB-CD2 4.45Å; L126-Y129 PolarHBondContact O-N 3.23Å; P127-Y129 WeakPolarHBondContact O-CD2 3.43Å; P127-Y129 PolarHBondContact O-N 2.98Å; Y129-W131 PolarHBondContact O-N 3.48Å; Y129-Y132 CarbonylContact O-C 3.57Å; Y129-Y132 WeakPolarHBondContact O-CA 3.3Å; Y129-Y132 WeakPolarHBondContact O-CB 3.4Å; Y129-Y132 PolarHBondContact O-N 3.39Å; Y129-F133 HydrophobicContact CD1-CE1 4.45Å; Y129-F133 HydrophobicContact CD1-CZ 4.17Å; Y129-F133 HydrophobicContact CG-CZ 4.24Å; Y129-F133 WeakPolarHBondContact O-CG 3.49Å; Y129-F133 PolarHBondContact O-N 3.41Å
130G92.6Very high93.2Very high0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-58.6-47.1-166.600000113.7L123 K124 L126 S134 F140L123-G130 WeakPolarHBondContact O-CA 2.78Å; K124-G130 WeakPolarHBondContact O-CA 3.49Å; L126-G130 PolarHBondContact O-N 3.02Å; G130-S134 PolarHBondContact O-N 3.16Å; G130-F140 WeakPolarHBondContact O-CZ 3.46Å
131W93Very high93.1Very high42 Ų4229.5 Ų29.516%0.15915%0.154CC..Hα-helixtrans-66.5-38.1174.674.9-32.8000112.8V29 W32 L128 Y129 S134 Q135 L357 G358 W361 V362V29-W131 HydrophobicContact CG1-CZ2 4.22Å; W32-W131 HydrophobicContact CH2-CZ2 4.41Å; W32-W131 AromaticContact CZ3-CE2 3.94Å; W32-W131 HydrophobicContact CZ3-CH2 4.15Å; W32-W131 AromaticContact CZ3-CZ2 3.69Å; W32-W131 HydrophobicContact CZ3-CZ2 3.69Å; L128-W131 PolarHBondContact O-NE1 2.89Å; Y129-W131 PolarHBondContact O-N 3.48Å; W131-S134 VanDerWaalsContact O-CB 3.3Å; W131-S134 WeakPolarHBondContact O-CB 3.39Å; W131-S134 PolarHBondContact O-N 3.14Å; W131-S134 VanDerWaalsContact O-N 3.11Å; W131-Q135 WeakPolarHBondContact O-CG 3.43Å; W131-Q135 PolarHBondContact O-N 2.7Å; W131-L357 HydrophobicContact CH2-CB 4.32Å; W131-L357 HydrophobicContact CZ3-CB 4.17Å; W131-G358 VanDerWaalsContact CD2-CA 3.48Å; W131-W361 HydrophobicContact CB-CD2 4.44Å; W131-W361 HydrophobicContact CB-CE3 3.73Å; W131-W361 HydrophobicContact CB-CZ3 4.37Å; W131-W361 HydrophobicContact CE3-CB 4.14Å; W131-W361 HydrophobicContact CE3-CG 4.39Å; W131-V362 HydrophobicContact CB-CG2 3.93Å
132Y95.1Very high92.7Very high4 Ų433.7 Ų33.72%0.01617%0.17CC..Hα-helixtrans-64.2-44.7180170.8-90.3000109.8Y28 W32 Y55 Y129 S134 Q135 H136Y28-Y132 HydrophobicContact CE1-CD1 4.3Å; Y28-Y132 HydrophobicContact CE1-CD2 4.02Å; Y28-Y132 HydrophobicContact CE1-CE1 4.06Å; Y28-Y132 AromaticContact CE1-CE2 3.72Å; Y28-Y132 HydrophobicContact CE1-CE2 3.72Å; Y28-Y132 HydrophobicContact CE1-CG 4.32Å; Y28-Y132 AromaticContact CE1-CZ 3.8Å; Y28-Y132 AromaticContact CZ-CE2 3.98Å; Y28-Y132 AromaticContact CZ-CZ 3.82Å; Y28-Y132 WeakPolarHBondContact OH-CE2 3.38Å; Y28-Y132 PolarHBondContact OH-OH 3.11Å; W32-Y132 AromaticContact CD1-CD2 3.98Å; W32-Y132 AromaticContact CD1-CE2 3.54Å; W32-Y132 AromaticContact CD2-CD2 3.78Å; W32-Y132 HydrophobicContact CD2-CD2 3.78Å; W32-Y132 HydrophobicContact CD2-CE2 4.15Å; W32-Y132 AromaticContact CE2-CD2 3.75Å; W32-Y132 HydrophobicContact CE3-CD2 4.33Å; W32-Y132 AromaticContact CG-CD2 3.94Å; W32-Y132 HydrophobicContact CG-CD2 3.94Å; W32-Y132 AromaticContact CG-CE2 3.85Å; W32-Y132 HydrophobicContact CG-CE2 3.85Å; W32-Y132 HydrophobicContact CZ2-CD2 4.28Å; W32-Y132 AromaticContact NE1-CD2 3.84Å; W32-Y132 AromaticContact NE1-CE2 3.64Å; Y55-Y132 AromaticContact CD2-CE1 3.59Å; Y55-Y132 HydrophobicContact CD2-CE1 3.59Å; Y55-Y132 AromaticContact CD2-CZ 3.83Å; Y55-Y132 VanDerWaalsContact CD2-OH 3.22Å; Y55-Y132 WeakPolarHBondContact CD2-OH 3.25Å; Y55-Y132 AromaticContact CE2-CE1 3.82Å; Y55-Y132 HydrophobicContact CE2-CE1 3.82Å; Y129-Y132 CarbonylContact O-C 3.57Å; Y129-Y132 WeakPolarHBondContact O-CA 3.3Å; Y129-Y132 WeakPolarHBondContact O-CB 3.4Å; Y129-Y132 PolarHBondContact O-N 3.39Å; Y132-S134 PolarHBondContact O-N 3.23Å; Y132-Q135 CarbonylContact O-C 3.54Å; Y132-Q135 WeakPolarHBondContact O-CB 3.42Å; Y132-Q135 PolarHBondContact O-N 3.48Å; Y132-H136 HydrophobicContact CE1-CB 3.83Å; Y132-H136 HydrophobicContact CE2-CB 4.47Å; Y132-H136 AromaticContact CZ-CG 3.95Å; Y132-H136 WeakPolarHBondContact O-CB 3.49Å; Y132-H136 PolarHBondContact O-N 2.89Å; Y132-H136 PolarHBondContact OH-ND1 3.23Å
133F94.6Very high91.8Very high41 Ų4136.1 Ų36.118%0.1817%0.168CC..Hα-helixtrans-57.4-38.5174-65.7-27.7000112L119 L126 Y129 H136 G138 F140L119-F133 HydrophobicContact CD1-CB 3.81Å; L119-F133 HydrophobicContact CD1-CD2 4.26Å; L119-F133 HydrophobicContact CD1-CG 4.26Å; L126-F133 HydrophobicContact CD1-CE2 4.08Å; Y129-F133 HydrophobicContact CD1-CE1 4.45Å; Y129-F133 HydrophobicContact CD1-CZ 4.17Å; Y129-F133 HydrophobicContact CG-CZ 4.24Å; Y129-F133 WeakPolarHBondContact O-CG 3.49Å; Y129-F133 PolarHBondContact O-N 3.41Å; F133-H136 CarbonylContact O-C 3.59Å; F133-G138 VanDerWaalsContact O-CA 3.22Å; F133-G138 WeakPolarHBondContact O-CA 3.34Å; F133-G138 PolarHBondContact O-N 3.42Å; F133-F140 HydrophobicContact CB-CZ 4.3Å
134S91.4Very high90.5Very high8 Ų839.3 Ų39.36%0.05620%0.195CC..Hα-helixtrans-64.7-42.5175.2-156.40000112.4G130 W131 Y132 G137 K155 W361 P366G130-S134 PolarHBondContact O-N 3.16Å; W131-S134 VanDerWaalsContact O-CB 3.3Å; W131-S134 WeakPolarHBondContact O-CB 3.39Å; W131-S134 PolarHBondContact O-N 3.14Å; W131-S134 VanDerWaalsContact O-N 3.11Å; Y132-S134 PolarHBondContact O-N 3.23Å; S134-G137 PolarHBondContact O-N 2.87Å; S134-K155 PolarHBondContact O-NZ 2.74Å; S134-K155 PolarHBondContact OG-NZ 3.49Å; S134-W361 VanDerWaalsContact CB-CZ3 3.41Å; S134-W361 WeakPolarHBondContact OG-CH2 3.26Å; S134-P366 PolarHBondContact OG-OXT 2.66Å
135Q91.4Very high89.2Confident40 Ų4040.4 Ų40.419%0.18721%0.209CC..Hα-helixtrans-68.1-38.6178.7-68.4-64.6-56.400112.2W32 W131 Y132 G137 W361W32-Q135 HydrophobicContact CH2-CG 4.14Å; W32-Q135 HydrophobicContact CZ2-CB 3.87Å; W32-Q135 HydrophobicContact CZ2-CG 3.83Å; W131-Q135 WeakPolarHBondContact O-CG 3.43Å; W131-Q135 PolarHBondContact O-N 2.7Å; Y132-Q135 CarbonylContact O-C 3.54Å; Y132-Q135 WeakPolarHBondContact O-CB 3.42Å; Y132-Q135 PolarHBondContact O-N 3.48Å; Q135-G137 PolarHBondContact O-N 3.42Å; Q135-G137 VanDerWaalsContact O-N 3.1Å; Q135-W361 VanDerWaalsContact NE2-CH2 3.29Å
136H93.4Very high88.4Confident6 Ų645.4 Ų45.43%0.02823%0.233CC..THydrogen-bonded Turntrans-78.524.5173.5-163.364.6000111.9D51 D52 Y55 G113 R116 Y132 F133 G138D51-H136 IonicContact OD2-CE1 3.64Å; D51-H136 IonicContact OD2-CG 3.72Å; D51-H136 IonicContact OD2-ND1 2.73Å; D51-H136 PolarHBondContact OD2-ND1 3.06Å; D52-H136 IonicContact OD1-CE1 2.85Å; D52-H136 PolarHBondContact OD1-CE1 3.24Å; Y55-H136 WeakPolarHBondContact CB-CE1 2.98Å; Y55-H136 WeakPolarHBondContact CB-NE2 3.37Å; Y55-H136 AromaticContact CD1-CD2 4Å; Y55-H136 AromaticContact CD1-NE2 3.26Å; Y55-H136 VanDerWaalsContact CD1-NE2 3.26Å; Y55-H136 WeakPolarHBondContact CD1-NE2 3.49Å; Y55-H136 AromaticContact CD2-CD2 3.49Å; Y55-H136 VanDerWaalsContact CD2-CD2 3.49Å; Y55-H136 WeakPolarHBondContact CD2-CD2 3.17Å; Y55-H136 AromaticContact CD2-CE1 3.98Å; Y55-H136 AromaticContact CD2-NE2 3.46Å; Y55-H136 WeakPolarHBondContact CD2-NE2 3.41Å; Y55-H136 AromaticContact CE1-NE2 3.73Å; Y55-H136 AromaticContact CE2-CD2 3.54Å; Y55-H136 AromaticContact CE2-NE2 3.84Å; Y55-H136 AromaticContact CG-CD2 3.65Å; Y55-H136 AromaticContact CG-CE1 3.51Å; Y55-H136 AromaticContact CG-NE2 3.06Å; Y55-H136 AromaticContact CZ-CD2 3.83Å; Y55-H136 AromaticContact CZ-NE2 3.94Å; G113-H136 PolarHBondContact O-CE1 2.93Å; G113-H136 PolarHBondContact O-NE2 3.31Å; R116-H136 WeakPolarHBondContact CD-O 3.45Å; R116-H136 PolarHBondContact NE-O 3.38Å; R116-H136 PolarHBondContact NH1-CD2 3.22Å; R116-H136 PolarHBondContact NH1-CE1 3.1Å; R116-H136 PolarHBondContact NH1-NE2 3.34Å; Y132-H136 HydrophobicContact CE1-CB 3.83Å; Y132-H136 HydrophobicContact CE2-CB 4.47Å; Y132-H136 AromaticContact CZ-CG 3.95Å; Y132-H136 WeakPolarHBondContact O-CB 3.49Å; Y132-H136 PolarHBondContact O-N 2.89Å; Y132-H136 PolarHBondContact OH-ND1 3.23Å; F133-H136 CarbonylContact O-C 3.59Å; H136-G138 PolarHBondContact O-N 3.4Å
137G92.1Very high87.9Confident3 Ų344.1 Ų44.13%0.03122%0.224CC..THydrogen-bonded Turntrans78.38.3171.500000117S134 Q135S134-G137 PolarHBondContact O-N 2.87Å; Q135-G137 PolarHBondContact O-N 3.42Å; Q135-G137 VanDerWaalsContact O-N 3.1Å
138G93.9Very high87.5Confident3 Ų346.1 Ų46.13%0.03123%0.233CC..  trans-64144.6172.100000112.8Y117 F133 H136 K155Y117-G138 WeakPolarHBondContact O-CA 3.47Å; F133-G138 VanDerWaalsContact O-CA 3.22Å; F133-G138 WeakPolarHBondContact O-CA 3.34Å; F133-G138 PolarHBondContact O-N 3.42Å; H136-G138 PolarHBondContact O-N 3.4Å; G138-K155 PolarHBondContact O-NZ 3.14Å
139I93.8Very high87.3Confident6 Ų650.5 Ų50.53%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-118.6111.8-174.6-62.3156.3000109.1Y117 V118 L119 V141 M152 K155 L156 L168Y117-I139 PolarHBondContact O-N 3.4Å; V118-I139 CarbonylContact C-O 3.55Å; V118-I139 WeakPolarHBondContact CA-O 3.36Å; V118-I139 HydrophobicContact CG2-CB 4.46Å; L119-I139 PolarHBondContact N-O 3.13Å; I139-V141 HydrophobicContact CG2-CG1 4.39Å; I139-M152 HydrophobicContact CD1-CE 4.37Å; I139-M152 HydrophobicContact CD1-CG 4.13Å; I139-M152 HydrophobicContact CG2-CB 3.95Å; I139-M152 HydrophobicContact CG2-CG 3.98Å; I139-M152 HydrophobicContact CG2-SD 4.02Å; I139-K155 HydrophobicContact CG1-CB 4.11Å; I139-K155 HydrophobicContact CG1-CD 3.9Å; I139-L156 HydrophobicContact CD1-CD2 3.6Å; I139-L156 HydrophobicContact CD1-CG 4Å; I139-L168 HydrophobicContact CD1-CD1 4.33Å
140F92.1Very high87.2Confident29 Ų2956.6 Ų56.613%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-80.9131.3179.4-66-61.8000112.6L119 L123 K124 G130 F133L119-F140 HydrophobicContact CB-CD1 3.64Å; L119-F140 HydrophobicContact CB-CE1 3.78Å; L119-F140 HydrophobicContact CD1-CD1 4.26Å; L119-F140 HydrophobicContact CD1-CE1 3.66Å; L119-F140 HydrophobicContact CD1-CZ 4.16Å; L119-F140 HydrophobicContact CG-CE1 4.38Å; L119-F140 CarbonylContact O-C 3.56Å; L119-F140 WeakPolarHBondContact O-CA 3.4Å; L123-F140 HydrophobicContact CB-CE1 4.18Å; K124-F140 HydrophobicContact CB-CD1 4.15Å; K124-F140 HydrophobicContact CB-CD2 4Å; K124-F140 HydrophobicContact CB-CE1 3.85Å; K124-F140 HydrophobicContact CB-CE2 3.66Å; K124-F140 HydrophobicContact CB-CG 4.24Å; K124-F140 HydrophobicContact CB-CZ 3.6Å; G130-F140 WeakPolarHBondContact O-CZ 3.46Å; F133-F140 HydrophobicContact CB-CZ 4.3Å
141V88.8Confident87.1Confident33 Ų3358 Ų5820%0.229%0.292CS..EExtended strand (participates in β ladder)trans-128.6140178.8-61.90000111.9V118 L119 D121 I139 F147V118-V141 HydrophobicContact CG1-CB 4.31Å; V118-V141 HydrophobicContact CG1-CG1 3.68Å; V118-V141 HydrophobicContact CG1-CG2 3.6Å; L119-V141 WeakPolarHBondContact O-CG2 3.38Å; L119-V141 PolarHBondContact O-N 3.24Å; D121-V141 PolarHBondContact N-O 3.33Å; I139-V141 HydrophobicContact CG2-CG1 4.39Å; V141-F147 HydrophobicContact CG1-CD2 4.11Å; V141-F147 HydrophobicContact CG1-CE2 3.77Å
142K84Confident87.1Confident119 Ų11956.1 Ų56.152%0.51729%0.285SS..  trans-93.2136.9173.7-69-176.5177.1-175.60109.6D121 A145D121-K142 HydrophobicContact CB-CG 3.62Å; D121-K142 WeakPolarHBondContact OD2-CE 3.41Å; K142-A145 HydrophobicContact CB-CB 3.76Å; K142-A145 HydrophobicContact CD-CB 3.81Å; K142-A145 HydrophobicContact CG-CB 4.43Å
143R71.9Confident87.1Confident89 Ų8961 Ų6134%0.33631%0.306SS..SBendtrans-76.8-36.6-178.4-67-177.8178.4-176.6-6.1113.6G174 T175 R208R143-G174 WeakPolarHBondContact CD-O 3.31Å; R143-G174 PolarHBondContact NE-O 2.66Å; R143-T175 PolarHBondContact NH1-OG1 3.45Å; R143-R208 PolarHBondContact O-NH1 3.37Å
144S66.3Low87Confident127 Ų12766.7 Ų66.789%0.88833%0.326SS*.SBendtrans-102.4-13.8-174530000114.1
145A66.3Low87Confident48 Ų4868.6 Ų68.640%0.39733%0.333SS..SBendtrans-98.6159.1179.100000110.9K142 F147K142-A145 HydrophobicContact CB-CB 3.76Å; K142-A145 HydrophobicContact CD-CB 3.81Å; K142-A145 HydrophobicContact CG-CB 4.43Å; A145-F147 PolarHBondContact O-N 3.08Å
146K77.8Confident87.1Confident204 Ų20466.7 Ų66.789%0.88733%0.325SS*.PPolyproline II helixtrans-52.7124.4173.9-171.7174.2-178.9175.20109.7N148K146-N148 PolarHBondContact O-N 3.43Å
147F83.4Confident87.1Confident40 Ų4069 Ų6918%0.17534%0.337CS..PPolyproline II helixtrans-56.1127.7178.3173.8-123.6000110.4V141 A145 E149 M152 K210 A211 L214V141-F147 HydrophobicContact CG1-CD2 4.11Å; V141-F147 HydrophobicContact CG1-CE2 3.77Å; A145-F147 PolarHBondContact O-N 3.08Å; F147-E149 HydrophobicContact CD1-CB 4.47Å; F147-E149 HydrophobicContact CD1-CG 3.35Å; F147-E149 HydrophobicContact CE1-CB 4.35Å; F147-E149 HydrophobicContact CE1-CG 3.46Å; F147-E149 VanDerWaalsContact CE1-CG 3.46Å; F147-E149 HydrophobicContact CG-CG 4.39Å; F147-E149 PolarHBondContact O-N 3.47Å; F147-E149 VanDerWaalsContact O-N 3.13Å; F147-M152 HydrophobicContact CE2-SD 3.92Å; F147-M152 HydrophobicContact CZ-CB 4.21Å; F147-M152 HydrophobicContact CZ-CG 4.4Å; F147-M152 HydrophobicContact CZ-SD 3.51Å; F147-M152 VanDerWaalsContact CZ-SD 3.51Å; F147-K210 HydrophobicContact CD1-CB 3.85Å; F147-K210 HydrophobicContact CE1-CB 4.11Å; F147-A211 HydrophobicContact CE1-CB 4.34Å; F147-A211 HydrophobicContact CE2-CB 3.97Å; F147-A211 HydrophobicContact CZ-CB 3.72Å; F147-L214 HydrophobicContact CE1-CD2 3.94Å; F147-L214 HydrophobicContact CZ-CD2 4.06Å
148N87.3Confident86.9Confident96 Ų9671.8 Ų71.851%0.51336%0.356SS..  trans-88.278.2-177.4-168.8-17.6000110.8K146 K150 A151 M152K146-N148 PolarHBondContact O-N 3.43Å; N148-K150 PolarHBondContact O-N 3.21Å; N148-K150 PolarHBondContact OD1-N 3.37Å; N148-A151 HydrophobicContact CB-CB 4.19Å; N148-A151 PolarHBondContact O-N 2.89Å; N148-A151 PolarHBondContact OD1-N 2.88Å; N148-A151 VanDerWaalsContact OD1-N 3.08Å; N148-M152 PolarHBondContact O-N 3.29Å
149E90.7Very high86.6Confident93 Ų9372.2 Ų72.244%0.43536%0.357SS..Hα-helixtrans-56.3-38.3179.8-68.3172.7-156.400112.4F147 A151 M152 K153 L214F147-E149 HydrophobicContact CD1-CB 4.47Å; F147-E149 HydrophobicContact CD1-CG 3.35Å; F147-E149 HydrophobicContact CE1-CB 4.35Å; F147-E149 HydrophobicContact CE1-CG 3.46Å; F147-E149 VanDerWaalsContact CE1-CG 3.46Å; F147-E149 HydrophobicContact CG-CG 4.39Å; F147-E149 PolarHBondContact O-N 3.47Å; F147-E149 VanDerWaalsContact O-N 3.13Å; E149-A151 PolarHBondContact O-N 3.35Å; E149-M152 PolarHBondContact O-N 2.88Å; E149-K153 WeakPolarHBondContact O-CB 3.18Å; E149-K153 PolarHBondContact O-N 2.99Å; E149-L214 HydrophobicContact CB-CD2 3.98Å; E149-L214 HydrophobicContact CG-CD2 4.22Å
150K91.4Very high86.4Confident158 Ų15874 Ų7469%0.68737%0.369SS*.Hα-helixtrans-63.6-42.2-179.7-65.6-175.3179.5-179.50111.8N148 R154N148-K150 PolarHBondContact O-N 3.21Å; N148-K150 PolarHBondContact OD1-N 3.37Å; K150-R154 WeakPolarHBondContact O-CG 3.18Å; K150-R154 PolarHBondContact O-N 2.82Å
151A89.9Confident86.2Confident30 Ų3082.5 Ų82.525%0.24840%0.4CS..Hα-helixtrans-66.6-47.7179.300000111.7N148 E149 K153 R154 K155N148-A151 HydrophobicContact CB-CB 4.19Å; N148-A151 PolarHBondContact O-N 2.89Å; N148-A151 PolarHBondContact OD1-N 2.88Å; N148-A151 VanDerWaalsContact OD1-N 3.08Å; E149-A151 PolarHBondContact O-N 3.35Å; A151-K153 PolarHBondContact O-N 3.36Å; A151-R154 PolarHBondContact O-N 3.18Å; A151-K155 PolarHBondContact O-N 3.19Å; A151-K155 VanDerWaalsContact O-N 3.13Å
152M93.4Very high85.9Confident2 Ų283.1 Ų83.11%0.0141%0.405CS..Hα-helixtrans-60.5-45.7175.7178.8153.8175.500111.2V118 I139 F147 N148 E149 R154 K155 L156 A211 L214 A215V118-M152 HydrophobicContact CG2-CE 4.12Å; I139-M152 HydrophobicContact CD1-CE 4.37Å; I139-M152 HydrophobicContact CD1-CG 4.13Å; I139-M152 HydrophobicContact CG2-CB 3.95Å; I139-M152 HydrophobicContact CG2-CG 3.98Å; I139-M152 HydrophobicContact CG2-SD 4.02Å; F147-M152 HydrophobicContact CE2-SD 3.92Å; F147-M152 HydrophobicContact CZ-CB 4.21Å; F147-M152 HydrophobicContact CZ-CG 4.4Å; F147-M152 HydrophobicContact CZ-SD 3.51Å; F147-M152 VanDerWaalsContact CZ-SD 3.51Å; N148-M152 PolarHBondContact O-N 3.29Å; E149-M152 PolarHBondContact O-N 2.88Å; M152-R154 VanDerWaalsContact C-N 3.35Å; M152-R154 PolarHBondContact O-N 3.49Å; M152-K155 PolarHBondContact O-N 3.5Å; M152-L156 HydrophobicContact CE-CD1 3.73Å; M152-L156 HydrophobicContact CG-CD1 3.72Å; M152-L156 HydrophobicContact CG-CG 4.14Å; M152-L156 WeakPolarHBondContact O-CG 3.13Å; M152-L156 PolarHBondContact O-N 3.46Å; M152-A211 HydrophobicContact CE-CB 4.36Å; M152-A211 VanDerWaalsContact CE-O 3.24Å; M152-A211 WeakPolarHBondContact CE-O 3.39Å; M152-A211 HydrophobicContact SD-CB 4.23Å; M152-L214 HydrophobicContact CB-CD2 3.98Å; M152-L214 HydrophobicContact CG-CD2 3.97Å; M152-L214 HydrophobicContact SD-CD2 4.44Å; M152-A215 HydrophobicContact CE-CB 3.76Å
153K94.4Very high85.8Confident107 Ų10780.4 Ų80.447%0.46541%0.411SS..Hα-helixtrans-57.4-45.2178176.2165.8-174.8176.50112.7E149 A151 L157 I218E149-K153 WeakPolarHBondContact O-CB 3.18Å; E149-K153 PolarHBondContact O-N 2.99Å; A151-K153 PolarHBondContact O-N 3.36Å; K153-L157 HydrophobicContact CD-CD1 4.47Å; K153-L157 HydrophobicContact CG-CD1 3.73Å; K153-L157 HydrophobicContact CG-CG 4.33Å; K153-L157 WeakPolarHBondContact O-CB 3.36Å; K153-L157 VanDerWaalsContact O-CG 3.29Å; K153-L157 WeakPolarHBondContact O-CG 3.24Å; K153-L157 PolarHBondContact O-N 3.27Å; K153-I218 HydrophobicContact CB-CD1 3.62Å; K153-I218 HydrophobicContact CD-CD1 4.21Å; K153-I218 HydrophobicContact CG-CD1 3.56Å; K153-I218 HydrophobicContact CG-CG1 4.44Å
154R92.4Very high86.3Confident160 Ų16076.7 Ų76.760%0.60440%0.399SS*.Hα-helixtrans-60.8-45.9176.6-75.6-170.6-56.8-98.23112.2K150 A151 M152 S158K150-R154 WeakPolarHBondContact O-CG 3.18Å; K150-R154 PolarHBondContact O-N 2.82Å; A151-R154 PolarHBondContact O-N 3.18Å; M152-R154 VanDerWaalsContact C-N 3.35Å; M152-R154 PolarHBondContact O-N 3.49Å; R154-S158 WeakPolarHBondContact O-CB 3.24Å; R154-S158 PolarHBondContact O-N 3.28Å
155K91.6Very high87.3Confident47 Ų4772.5 Ų72.520%0.20437%0.369CS..Hα-helixtrans-63-48.9179.5-75-162.5173.9-145.40111.6S134 G138 I139 A151 M152 S158 Q159S134-K155 PolarHBondContact O-NZ 2.74Å; S134-K155 PolarHBondContact OG-NZ 3.49Å; G138-K155 PolarHBondContact O-NZ 3.14Å; I139-K155 HydrophobicContact CG1-CB 4.11Å; I139-K155 HydrophobicContact CG1-CD 3.9Å; A151-K155 PolarHBondContact O-N 3.19Å; A151-K155 VanDerWaalsContact O-N 3.13Å; M152-K155 PolarHBondContact O-N 3.5Å; K155-S158 WeakPolarHBondContact O-CB 3.48Å; K155-S158 PolarHBondContact O-N 2.87Å; K155-Q159 WeakPolarHBondContact O-CG 3.36Å; K155-Q159 PolarHBondContact O-N 2.77Å; K155-Q159 VanDerWaalsContact O-N 3.09Å
156L93.9Very high88.5Confident1 Ų170.5 Ų70.51%0.00535%0.351CS..Hα-helixtrans-62.3-48.1-179.9-66176.5000112I139 M152 S158 Q159 T160 M166 L168 A215 I218 M219I139-L156 HydrophobicContact CD1-CD2 3.6Å; I139-L156 HydrophobicContact CD1-CG 4Å; M152-L156 HydrophobicContact CE-CD1 3.73Å; M152-L156 HydrophobicContact CG-CD1 3.72Å; M152-L156 HydrophobicContact CG-CG 4.14Å; M152-L156 WeakPolarHBondContact O-CG 3.13Å; M152-L156 PolarHBondContact O-N 3.46Å; L156-S158 PolarHBondContact O-N 2.72Å; L156-Q159 PolarHBondContact O-N 3.1Å; L156-T160 PolarHBondContact O-N 2.75Å; L156-T160 PolarHBondContact O-OG1 3.25Å; L156-M166 HydrophobicContact CD2-CE 4.43Å; L156-L168 HydrophobicContact CD2-CD2 3.82Å; L156-A215 HydrophobicContact CD1-CB 4.11Å; L156-I218 HydrophobicContact CB-CB 4.48Å; L156-I218 HydrophobicContact CB-CD1 4.4Å; L156-I218 HydrophobicContact CB-CG2 3.77Å; L156-I218 HydrophobicContact CD1-CB 4.46Å; L156-I218 HydrophobicContact CD1-CD1 4.05Å; L156-M219 HydrophobicContact CD2-SD 3.74Å
157L93.1Very high89.4Confident53 Ų5360.9 Ų60.928%0.27731%0.309SS..Hα-helixtrans-58.6-37.6176.1-75.2171.8000112.3K153 R161 I218K153-L157 HydrophobicContact CD-CD1 4.47Å; K153-L157 HydrophobicContact CG-CD1 3.73Å; K153-L157 HydrophobicContact CG-CG 4.33Å; K153-L157 WeakPolarHBondContact O-CB 3.36Å; K153-L157 VanDerWaalsContact O-CG 3.29Å; K153-L157 WeakPolarHBondContact O-CG 3.24Å; K153-L157 PolarHBondContact O-N 3.27Å; L157-R161 VanDerWaalsContact O-CB 3.28Å; L157-R161 WeakPolarHBondContact O-CB 3.19Å; L157-R161 WeakPolarHBondContact O-CD 3.47Å; L157-R161 WeakPolarHBondContact O-CG 3.39Å; L157-R161 PolarHBondContact O-N 2.72Å; L157-I218 HydrophobicContact CD2-CG2 3.8Å; L157-I218 HydrophobicContact CG-CG2 3.92Å
158S89.2Confident90.1Very high62 Ų6259 Ų5943%0.43430%0.301SS..Hα-helixtrans-63.9-41.6175.6-172.60000112.2R154 K155 L156 C162R154-S158 WeakPolarHBondContact O-CB 3.24Å; R154-S158 PolarHBondContact O-N 3.28Å; K155-S158 WeakPolarHBondContact O-CB 3.48Å; K155-S158 PolarHBondContact O-N 2.87Å; L156-S158 PolarHBondContact O-N 2.72Å; S158-C162 PolarHBondContact O-N 2.91Å; S158-C162 PolarHBondContact O-SG 2.75Å
159Q87.5Confident90.6Very high13 Ų1354.4 Ų54.46%0.06128%0.277CS..Hα-helixtrans-67.2-47.8179-64.5-64.9-33.900110.9K155 L156 R161 C162 G163 A164 M166K155-Q159 WeakPolarHBondContact O-CG 3.36Å; K155-Q159 PolarHBondContact O-N 2.77Å; K155-Q159 VanDerWaalsContact O-N 3.09Å; L156-Q159 PolarHBondContact O-N 3.1Å; Q159-R161 PolarHBondContact O-N 2.66Å; Q159-C162 PolarHBondContact O-N 2.75Å; Q159-G163 PolarHBondContact O-N 2.77Å; Q159-A164 PolarHBondContact O-N 2.85Å; Q159-M166 HydrophobicContact CB-CE 4.48Å; Q159-M166 HydrophobicContact CB-SD 3.73Å; Q159-M166 HydrophobicContact CG-SD 4.02Å
160T88.2Confident91Very high44 Ų4450.2 Ų50.227%0.2726%0.257SS..Hα-helixtrans-60-44.1178.2-54.10000111.7L156 C162 G163L156-T160 PolarHBondContact O-N 2.75Å; L156-T160 PolarHBondContact O-OG1 3.25Å; T160-C162 VanDerWaalsContact C-N 3.3Å; T160-C162 PolarHBondContact O-N 3.5Å; T160-G163 PolarHBondContact O-N 2.79Å
161R87.9Confident91.3Very high207 Ų20744 Ų4478%0.78123%0.23SC*.Hα-helixtrans-64.9-31.1177.9-74.4172.9-177.8-171.4-1113.6L157 Q159 G163L157-R161 VanDerWaalsContact O-CB 3.28Å; L157-R161 WeakPolarHBondContact O-CB 3.19Å; L157-R161 WeakPolarHBondContact O-CD 3.47Å; L157-R161 WeakPolarHBondContact O-CG 3.39Å; L157-R161 PolarHBondContact O-N 2.72Å; Q159-R161 PolarHBondContact O-N 2.66Å; R161-G163 PolarHBondContact O-N 3.39Å
162C83.6Confident91.6Very high46 Ų4642.8 Ų42.831%0.31122%0.22SC..THydrogen-bonded Turntrans-75.6-6.8175.2-740000113.1S158 Q159 T160 A164S158-C162 PolarHBondContact O-N 2.91Å; S158-C162 PolarHBondContact O-SG 2.75Å; Q159-C162 PolarHBondContact O-N 2.75Å; T160-C162 VanDerWaalsContact C-N 3.3Å; T160-C162 PolarHBondContact O-N 3.5Å; C162-A164 PolarHBondContact O-N 3.03Å
163G82.6Confident91.7Very high62 Ų6243 Ų4364%0.63922%0.22SC*.THydrogen-bonded Turntrans61.924.4-172.300000112.5Q159 T160 R161Q159-G163 PolarHBondContact O-N 2.77Å; T160-G163 PolarHBondContact O-N 2.79Å; R161-G163 PolarHBondContact O-N 3.39Å
164A81.4Confident91.5Very high11 Ų1139 Ų399%0.09121%0.211CC..  trans-68.3129.1177.800000108.6Q159 C162Q159-A164 PolarHBondContact O-N 2.85Å; C162-A164 PolarHBondContact O-N 3.03Å
165P87.3Confident91.4Very high38 Ų3833 Ų3325%0.24719%0.191CC..  trans-60.9143.6172.2-19.831.6000110.3K84 N86 H114K84-P165 VanDerWaalsContact NZ-CB 3.29Å; N86-P165 WeakPolarHBondContact OD1-CA 3.23Å; H114-P165 HydrophobicContact CB-CB 4.12Å
166M90.9Very high91.6Very high7 Ų735.4 Ų35.43%0.03420%0.199CC..  trans-127.4124.9-171.1-74.1-66.7-64.800111.6N86 V87 R116 L156 Q159 L168 M219N86-M166 CarbonylContact C-O 3.52Å; N86-M166 VanDerWaalsContact CA-O 3.25Å; N86-M166 WeakPolarHBondContact CA-O 3.49Å; N86-M166 PolarHBondContact OD1-N 3.39Å; V87-M166 PolarHBondContact N-O 3.46Å; R116-M166 HydrophobicContact CB-CE 4.09Å; R116-M166 HydrophobicContact CG-CE 3.82Å; R116-M166 HydrophobicContact CG-SD 3.83Å; L156-M166 HydrophobicContact CD2-CE 4.43Å; Q159-M166 HydrophobicContact CB-CE 4.48Å; Q159-M166 HydrophobicContact CB-SD 3.73Å; Q159-M166 HydrophobicContact CG-SD 4.02Å; M166-L168 HydrophobicContact CE-CB 4.13Å; M166-L168 HydrophobicContact CE-CD1 4.44Å; M166-M219 HydrophobicContact CB-CE 4.29Å; M166-M219 HydrophobicContact CE-CE 4.49Å; M166-M219 HydrophobicContact CE-SD 3.97Å; M166-M219 HydrophobicContact CG-SD 4.44Å
167Y96.8Very high91.7Very high1 Ų136.3 Ų36.30%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-122.184163.7-162.6-62.8000107.2V87 Y89 A106 A111 H114 I115 R116 V169 Y227V87-Y167 HydrophobicContact CG2-CD1 4.04Å; V87-Y167 HydrophobicContact CG2-CD2 3.43Å; V87-Y167 VanDerWaalsContact CG2-CD2 3.43Å; V87-Y167 HydrophobicContact CG2-CE1 4.28Å; V87-Y167 HydrophobicContact CG2-CE2 3.7Å; V87-Y167 HydrophobicContact CG2-CG 3.63Å; Y89-Y167 AromaticContact CD2-CE1 3.95Å; Y89-Y167 HydrophobicContact CD2-CE1 3.95Å; Y89-Y167 HydrophobicContact CG-CE1 4.08Å; A106-Y167 HydrophobicContact CB-CD2 4.38Å; A106-Y167 HydrophobicContact CB-CE2 4.16Å; A111-Y167 HydrophobicContact CB-CD2 3.79Å; A111-Y167 HydrophobicContact CB-CE2 4.32Å; H114-Y167 PolarHBondContact O-N 2.84Å; I115-Y167 CarbonylContact C-O 3.55Å; I115-Y167 VanDerWaalsContact CA-O 3.31Å; I115-Y167 WeakPolarHBondContact CA-O 3.15Å; I115-Y167 HydrophobicContact CD1-CD1 4Å; I115-Y167 HydrophobicContact CD1-CE1 4.32Å; I115-Y167 HydrophobicContact CG1-CD1 3.85Å; I115-Y167 HydrophobicContact CG1-CG 4.36Å; I115-Y167 VanDerWaalsContact CG1-O 3.32Å; I115-Y167 WeakPolarHBondContact CG1-O 3.17Å; R116-Y167 PolarHBondContact N-O 2.87Å; Y167-V169 HydrophobicContact CD1-CG2 4.22Å; Y167-V169 HydrophobicContact CE1-CG2 4.41Å; Y167-V169 PolarHBondContact O-N 3.1Å; Y167-Y227 AromaticContact CE2-CD2 3.98Å; Y167-Y227 HydrophobicContact CE2-CD2 3.98Å; Y167-Y227 AromaticContact CE2-CE2 3.74Å; Y167-Y227 HydrophobicContact CE2-CE2 3.74Å; Y167-Y227 AromaticContact CZ-CD2 3.82Å; Y167-Y227 WeakPolarHBondContact OH-CD2 3.47Å
168L98Very high91.8Very high0 Ų035.5 Ų35.50%020%0.199CC..EExtended strand (participates in β ladder)trans-87.6110.1-171.5-178.564.3000111.1V87 I88 Y89 R116 V118 I139 L156 M166 I170 A215V87-L168 PolarHBondContact O-N 2.7Å; I88-L168 CarbonylContact C-O 3.54Å; I88-L168 WeakPolarHBondContact CA-O 3.26Å; I88-L168 HydrophobicContact CG1-CB 4.27Å; I88-L168 HydrophobicContact CG1-CD2 4.38Å; Y89-L168 PolarHBondContact N-O 2.88Å; R116-L168 HydrophobicContact CB-CD1 3.88Å; R116-L168 CarbonylContact O-C 3.57Å; R116-L168 WeakPolarHBondContact O-CA 3.26Å; V118-L168 HydrophobicContact CG2-CD1 4.25Å; I139-L168 HydrophobicContact CD1-CD1 4.33Å; L156-L168 HydrophobicContact CD2-CD2 3.82Å; M166-L168 HydrophobicContact CE-CB 4.13Å; M166-L168 HydrophobicContact CE-CD1 4.44Å; L168-I170 HydrophobicContact CD2-CD1 4.03Å; L168-I170 HydrophobicContact CD2-CG1 4.37Å; L168-I170 HydrophobicContact CG-CD1 4.29Å; L168-I170 HydrophobicContact CG-CG1 4.08Å; L168-A215 HydrophobicContact CD2-CB 3.82Å
169V98.4Very high92Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-84.5123177.5177.90000110.5Y89 A102 I115 R116 Y117 V118 Y167 F171Y89-V169 HydrophobicContact CD1-CB 4.3Å; Y89-V169 HydrophobicContact CD1-CG1 3.78Å; Y89-V169 HydrophobicContact CD1-CG2 4.18Å; Y89-V169 HydrophobicContact CE1-CG1 4.21Å; Y89-V169 HydrophobicContact CG-CG2 4.33Å; A102-V169 HydrophobicContact CB-CG1 4.18Å; A102-V169 HydrophobicContact CB-CG2 3.67Å; I115-V169 HydrophobicContact CD1-CG2 3.56Å; I115-V169 HydrophobicContact CG1-CG2 3.62Å; R116-V169 PolarHBondContact O-N 3Å; Y117-V169 HydrophobicContact CD1-CB 3.51Å; Y117-V169 HydrophobicContact CD1-CG1 3.71Å; Y117-V169 HydrophobicContact CD1-CG2 4.08Å; Y117-V169 HydrophobicContact CE1-CB 3.64Å; Y117-V169 HydrophobicContact CE1-CG1 3.69Å; Y117-V169 HydrophobicContact CE1-CG2 3.74Å; Y117-V169 HydrophobicContact CG-CB 4.37Å; V118-V169 PolarHBondContact N-O 2.99Å; Y167-V169 HydrophobicContact CD1-CG2 4.22Å; Y167-V169 HydrophobicContact CE1-CG2 4.41Å; Y167-V169 PolarHBondContact O-N 3.1Å; V169-F171 HydrophobicContact CG1-CD2 4.2Å; V169-F171 HydrophobicContact CG1-CE2 3.59Å; V169-F171 HydrophobicContact CG1-CZ 3.91Å
170I98.2Very high92.3Very high5 Ų539.8 Ų39.83%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-129136.2173.5-47.6-177.2000108.2I88 Y89 L90 S91 V118 L168 P172 A215I88-I170 HydrophobicContact CG2-CD1 3.97Å; I88-I170 HydrophobicContact CG2-CG1 4.26Å; Y89-I170 PolarHBondContact O-N 2.79Å; L90-I170 HydrophobicContact CD2-CB 3.85Å; L90-I170 HydrophobicContact CD2-CG1 4.5Å; L90-I170 HydrophobicContact CD2-CG2 4.49Å; S91-I170 PolarHBondContact N-O 2.81Å; V118-I170 HydrophobicContact CB-CG1 4.37Å; V118-I170 HydrophobicContact CG2-CD1 4.16Å; V118-I170 HydrophobicContact CG2-CG1 3.78Å; L168-I170 HydrophobicContact CD2-CD1 4.03Å; L168-I170 HydrophobicContact CD2-CG1 4.37Å; L168-I170 HydrophobicContact CG-CD1 4.29Å; L168-I170 HydrophobicContact CG-CG1 4.08Å; I170-P172 HydrophobicContact CG2-CG 4.49Å; I170-P172 WeakPolarHBondContact O-CD 3.48Å; I170-A215 HydrophobicContact CD1-CB 3.95Å
171F97.9Very high92.6Very high29 Ų2941.2 Ų41.213%0.12722%0.22CC..  trans-108.792.6169.8-68-73.4000108.6Y89 N92 H93 D98 V169 E173 G174Y89-F171 HydrophobicContact CE1-CE1 4.34Å; N92-F171 WeakPolarHBondContact O-CD1 3.5Å; H93-F171 HydrophobicContact CB-CB 3.87Å; H93-F171 HydrophobicContact CB-CD1 3.71Å; H93-F171 HydrophobicContact CB-CG 3.97Å; H93-F171 AromaticContact CG-CD1 3.91Å; H93-F171 AromaticContact CG-CG 3.84Å; D98-F171 HydrophobicContact CB-CE1 3.7Å; D98-F171 HydrophobicContact CB-CZ 3.65Å; V169-F171 HydrophobicContact CG1-CD2 4.2Å; V169-F171 HydrophobicContact CG1-CE2 3.59Å; V169-F171 HydrophobicContact CG1-CZ 3.91Å; F171-E173 PolarHBondContact O-N 3.09Å; F171-E173 VanDerWaalsContact O-N 3.13Å; F171-G174 PolarHBondContact O-N 3.01Å
172P96.8Very high92.9Very high4 Ų438.9 Ų38.93%0.02622%0.216CC..THydrogen-bonded Turntrans-59.2-26.9-169.8-29.238000114.7L90 S91 I170 G174 P207 R208 M283 F287L90-P172 HydrophobicContact CB-CG 4.46Å; L90-P172 HydrophobicContact CD2-CG 3.98Å; S91-P172 WeakPolarHBondContact O-CD 3.37Å; I170-P172 HydrophobicContact CG2-CG 4.49Å; I170-P172 WeakPolarHBondContact O-CD 3.48Å; P172-G174 PolarHBondContact O-N 3.11Å; P172-P207 HydrophobicContact CB-CB 3.69Å; P172-R208 WeakPolarHBondContact O-CA 3.04Å; P172-R208 VanDerWaalsContact O-CB 3.32Å; P172-R208 WeakPolarHBondContact O-CB 3.3Å; P172-R208 PolarHBondContact O-N 3.14Å; P172-M283 HydrophobicContact CB-SD 4.37Å; P172-M283 HydrophobicContact CG-SD 4.15Å; P172-F287 HydrophobicContact CB-CE2 3.83Å; P172-F287 HydrophobicContact CB-CZ 3.84Å; P172-F287 HydrophobicContact CG-CE2 3.85Å; P172-F287 HydrophobicContact CG-CZ 3.96Å
173E95.3Very high93.5Very high5 Ų541.5 Ų41.52%0.02323%0.226CC..THydrogen-bonded Turntrans-53.5-27.4174.5-62.5-172.5-119.400112.7N92 H93 F171 T175 L205 F287N92-E173 WeakPolarHBondContact CA-OE1 3.43Å; N92-E173 VanDerWaalsContact CB-OE1 3.25Å; N92-E173 WeakPolarHBondContact CB-OE1 3.28Å; H93-E173 PolarHBondContact N-OE1 3.2Å; F171-E173 PolarHBondContact O-N 3.09Å; F171-E173 VanDerWaalsContact O-N 3.13Å; E173-T175 WeakPolarHBondContact CB-O 3.27Å; E173-T175 PolarHBondContact O-N 2.9Å; E173-L205 HydrophobicContact CB-CB 4.11Å; E173-L205 HydrophobicContact CG-CB 4.11Å; E173-L205 VanDerWaalsContact OE2-CB 3.25Å; E173-L205 WeakPolarHBondContact OE2-CB 3.35Å; E173-L205 WeakPolarHBondContact OE2-CG 3.42Å; E173-L205 PolarHBondContact OE2-N 3.38Å; E173-F287 HydrophobicContact CG-CD1 4.43Å; E173-F287 HydrophobicContact CG-CE1 3.54Å; E173-F287 HydrophobicContact CG-CZ 4.18Å
174G89.8Confident94Very high25 Ų2540.5 Ų40.526%0.25821%0.208SC..SBendtrans72.6-11.9177.700000114.2R143 F171 P172R143-G174 WeakPolarHBondContact CD-O 3.31Å; R143-G174 PolarHBondContact NE-O 2.66Å; F171-G174 PolarHBondContact O-N 3.01Å; P172-G174 PolarHBondContact O-N 3.11Å
175T91.6Very high94.7Very high33 Ų3341 Ų4120%0.20221%0.208CC..SBendtrans-145.6169.3166.8-169.20000109.7R143 E173 V184 L205R143-T175 PolarHBondContact NH1-OG1 3.45Å; E173-T175 WeakPolarHBondContact CB-O 3.27Å; E173-T175 PolarHBondContact O-N 2.9Å; T175-V184 HydrophobicContact CG2-CG1 3.88Å; T175-L205 HydrophobicContact CG2-CD1 3.36Å
176R94.7Very high95.2Very high98 Ų9841.7 Ų41.737%0.3721%0.212SC..  trans-78.8133.5176.7-66.8168.4-66.4177.23.1109.5H93 C95H93-R176 VanDerWaalsContact CD2-CG 3.49Å; H93-R176 WeakPolarHBondContact CD2-CG 3.44Å; H93-R176 VanDerWaalsContact CE1-CG 3.43Å; H93-R176 WeakPolarHBondContact CE1-CG 3.41Å; H93-R176 WeakPolarHBondContact NE2-CG 3.33Å; H93-R176 CarbonylContact O-C 3.57Å; H93-R176 VanDerWaalsContact O-CA 3.3Å; H93-R176 WeakPolarHBondContact O-CA 3.34Å; C95-R176 VanDerWaalsContact C-CD 3.44Å; C95-R176 WeakPolarHBondContact O-CD 3.02Å
177Y96.3Very high95.4Very high19 Ų1946 Ų468%0.07524%0.236CC..  trans-65.8126.5160.7-178.4-81.4000109.3H93 Q94 P179 I185 K202 L205H93-Y177 PolarHBondContact O-N 3.28Å; Q94-Y177 WeakPolarHBondContact CA-O 3.44Å; Y177-P179 HydrophobicContact CE1-CG 3.9Å; Y177-I185 HydrophobicContact CD2-CG1 4.34Å; Y177-I185 HydrophobicContact CE1-CD1 4.48Å; Y177-I185 HydrophobicContact CE2-CD1 3.79Å; Y177-I185 HydrophobicContact CE2-CG1 3.86Å; Y177-K202 WeakPolarHBondContact CE2-O 3.22Å; Y177-K202 PolarHBondContact OH-O 2.87Å; Y177-L205 HydrophobicContact CD2-CD2 3.95Å; Y177-L205 HydrophobicContact CD2-CG 4.1Å
178N95.1Very high95.4Very high37 Ų3746.9 Ų46.920%0.19824%0.242CC..  trans-139.3120.4173.3178.7-19.1000108.2E180 L181 I185 P245N178-E180 PolarHBondContact O-N 2.86Å; N178-E180 VanDerWaalsContact O-N 3.11Å; N178-E180 WeakPolarHBondContact OD1-CB 3.35Å; N178-E180 PolarHBondContact OD1-N 3.26Å; N178-L181 HydrophobicContact CB-CB 4.25Å; N178-L181 HydrophobicContact CB-CD1 3.97Å; N178-L181 HydrophobicContact CB-CG 3.93Å; N178-L181 PolarHBondContact O-N 2.75Å; N178-I185 WeakPolarHBondContact O-CD1 3.45Å; N178-P245 WeakPolarHBondContact OD1-CG 3.45Å
179P94.3Very high95.4Very high27 Ų2749.3 Ų49.318%0.17525%0.253CS..THydrogen-bonded Turntrans-52.6-30.2178.4-23.730.6000114.7Y177 R243Y177-P179 HydrophobicContact CE1-CG 3.9Å; P179-R243 VanDerWaalsContact CB-O 3.26Å; P179-R243 WeakPolarHBondContact CB-O 3.28Å; P179-R243 HydrophobicContact CG-CB 4.33Å; P179-R243 HydrophobicContact CG-CG 3.99Å; P179-R243 WeakPolarHBondContact CG-O 3.37Å
180E94.2Very high95.3Very high137 Ų13753.7 Ų53.764%0.6427%0.272SS*.THydrogen-bonded Turntrans-77.9-21.9-179.3-62.5176.8171.300112.7N178 K182 P245N178-E180 PolarHBondContact O-N 2.86Å; N178-E180 VanDerWaalsContact O-N 3.11Å; N178-E180 WeakPolarHBondContact OD1-CB 3.35Å; N178-E180 PolarHBondContact OD1-N 3.26Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 2.89Å; E180-K182 VanDerWaalsContact O-N 3.09Å; E180-P245 HydrophobicContact CG-CG 3.78Å; E180-P245 WeakPolarHBondContact OE1-CD 3.18Å; E180-P245 WeakPolarHBondContact OE1-CG 3.45Å
181L93.5Very high95.1Very high75 Ų7558 Ų5839%0.39329%0.291SS..  trans-88.863.5179.8-61.6-177.1000111.4N178 N183 V184 I185N178-L181 HydrophobicContact CB-CB 4.25Å; N178-L181 HydrophobicContact CB-CD1 3.97Å; N178-L181 HydrophobicContact CB-CG 3.93Å; N178-L181 PolarHBondContact O-N 2.75Å; L181-N183 PolarHBondContact O-N 2.66Å; L181-N183 VanDerWaalsContact O-N 3.1Å; L181-V184 HydrophobicContact CB-CB 4.3Å; L181-V184 HydrophobicContact CB-CG2 4.12Å; L181-V184 PolarHBondContact O-N 2.9Å; L181-I185 PolarHBondContact O-N 2.85Å
182K94.2Very high95Very high158 Ų15856.7 Ų56.769%0.68729%0.285SS*.Hα-helixtrans-53.6-32.3-175.9-65-175.8179.2-178.60114.3E180 T186E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 2.89Å; E180-K182 VanDerWaalsContact O-N 3.09Å; K182-T186 VanDerWaalsContact O-CB 3.28Å; K182-T186 WeakPolarHBondContact O-CB 3.46Å; K182-T186 PolarHBondContact O-N 2.77Å; K182-T186 PolarHBondContact O-OG1 3.33Å
183N95.4Very high94.9Very high100 Ų10062.6 Ų62.654%0.53531%0.313SS..Hα-helixtrans-65.9-43.6177.363.5-43.8000111.9L181 I185 T186 D187L181-N183 PolarHBondContact O-N 2.66Å; L181-N183 VanDerWaalsContact O-N 3.1Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 PolarHBondContact O-N 2.68Å; N183-T186 PolarHBondContact O-N 3.01Å; N183-D187 WeakPolarHBondContact O-CB 3.49Å; N183-D187 PolarHBondContact O-N 3.14Å
184V94.3Very high94.8Very high42 Ų4272.2 Ų72.226%0.25535%0.349SS..Hα-helixtrans-65-41.1179.6178.50000110.9T175 L181 S188 L205T175-V184 HydrophobicContact CG2-CG1 3.88Å; L181-V184 HydrophobicContact CB-CB 4.3Å; L181-V184 HydrophobicContact CB-CG2 4.12Å; L181-V184 PolarHBondContact O-N 2.9Å; V184-S188 WeakPolarHBondContact O-CB 3.36Å; V184-S188 PolarHBondContact O-N 3.11Å; V184-S188 VanDerWaalsContact O-N 3.11Å; V184-L205 HydrophobicContact CG1-CD1 3.88Å; V184-L205 HydrophobicContact CG1-CD2 4.28Å
185I96.6Very high94.9Very high20 Ų2074.3 Ų74.310%0.10335%0.352CS..Hα-helixtrans-65.1-52.6176.9-63169.9000109.8Y177 N178 L181 N183 D187 S188 Q189 L205Y177-I185 HydrophobicContact CD2-CG1 4.34Å; Y177-I185 HydrophobicContact CE1-CD1 4.48Å; Y177-I185 HydrophobicContact CE2-CD1 3.79Å; Y177-I185 HydrophobicContact CE2-CG1 3.86Å; N178-I185 WeakPolarHBondContact O-CD1 3.45Å; L181-I185 PolarHBondContact O-N 2.85Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 PolarHBondContact O-N 2.68Å; I185-D187 VanDerWaalsContact C-N 3.3Å; I185-D187 PolarHBondContact O-N 2.86Å; I185-S188 WeakPolarHBondContact O-CB 3.22Å; I185-S188 PolarHBondContact O-N 2.86Å; I185-S188 VanDerWaalsContact O-N 3.09Å; I185-Q189 HydrophobicContact CG2-CG 4.38Å; I185-Q189 WeakPolarHBondContact O-CG 3.19Å; I185-Q189 PolarHBondContact O-N 3.44Å; I185-L205 HydrophobicContact CG1-CD2 4.28Å
186T96.9Very high94.5Very high53 Ų5377.2 Ų77.233%0.32538%0.379SS..Hα-helixtrans-56.4-43178.7-58.70000112K182 N183 S188 Q189 K190K182-T186 VanDerWaalsContact O-CB 3.28Å; K182-T186 WeakPolarHBondContact O-CB 3.46Å; K182-T186 PolarHBondContact O-N 2.77Å; K182-T186 PolarHBondContact O-OG1 3.33Å; N183-T186 PolarHBondContact O-N 3.01Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 3.31Å; T186-Q189 PolarHBondContact O-N 3.25Å; T186-K190 HydrophobicContact CG2-CD 4.02Å; T186-K190 HydrophobicContact CG2-CG 4.39Å; T186-K190 WeakPolarHBondContact O-CB 3.47Å; T186-K190 WeakPolarHBondContact O-CG 3.37Å; T186-K190 PolarHBondContact O-N 2.85Å
187D95.6Very high94Very high99 Ų9976.5 Ų76.553%0.52940%0.402SS..Hα-helixtrans-65.4-38.3178.7-72.3-16.6000111.9N183 I185 F191N183-D187 WeakPolarHBondContact O-CB 3.49Å; N183-D187 PolarHBondContact O-N 3.14Å; I185-D187 VanDerWaalsContact C-N 3.3Å; I185-D187 PolarHBondContact O-N 2.86Å; D187-F191 WeakPolarHBondContact O-CB 3.39Å; D187-F191 PolarHBondContact O-N 2.9Å
188S96.4Very high93.9Very high18 Ų1876.8 Ų76.813%0.12641%0.405CS..Hα-helixtrans-64.8-41174.8-176.20000112.4V184 I185 T186 F191 A192 T206V184-S188 WeakPolarHBondContact O-CB 3.36Å; V184-S188 PolarHBondContact O-N 3.11Å; V184-S188 VanDerWaalsContact O-N 3.11Å; I185-S188 WeakPolarHBondContact O-CB 3.22Å; I185-S188 PolarHBondContact O-N 2.86Å; I185-S188 VanDerWaalsContact O-N 3.09Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 3.31Å; S188-F191 PolarHBondContact O-N 3.02Å; S188-A192 PolarHBondContact O-N 2.8Å; S188-A192 VanDerWaalsContact O-N 3.16Å; S188-T206 PolarHBondContact O-OG1 2.72Å; S188-T206 VanDerWaalsContact O-OG1 3.14Å; S188-T206 WeakPolarHBondContact OG-CB 3.3Å; S188-T206 PolarHBondContact OG-N 3.27Å; S188-T206 PolarHBondContact OG-OG1 3Å; S188-T206 VanDerWaalsContact OG-OG1 3.09Å
189Q97.2Very high94Very high52 Ų5277.1 Ų77.124%0.24341%0.412CS..Hα-helixtrans-68.1-47.5178.4-69.7175.5-27.500111I185 T186 F191 A192 E193 V200 L201I185-Q189 HydrophobicContact CG2-CG 4.38Å; I185-Q189 WeakPolarHBondContact O-CG 3.19Å; I185-Q189 PolarHBondContact O-N 3.44Å; T186-Q189 PolarHBondContact O-N 3.25Å; Q189-F191 PolarHBondContact O-N 2.84Å; Q189-A192 WeakPolarHBondContact O-CA 3.49Å; Q189-A192 WeakPolarHBondContact O-CB 3.48Å; Q189-A192 PolarHBondContact O-N 2.65Å; Q189-E193 WeakPolarHBondContact O-CG 3.29Å; Q189-E193 PolarHBondContact O-N 3.13Å; Q189-V200 HydrophobicContact CB-CG1 3.77Å; Q189-V200 HydrophobicContact CG-CG1 3.63Å; Q189-L201 PolarHBondContact NE2-O 2.72Å; Q189-L201 VanDerWaalsContact NE2-O 3.12Å
190K96.8Very high94.1Very high92 Ų9279.2 Ų79.240%0.443%0.425SS..Hα-helixtrans-57.7-36174.3-75.4174.5179.8171.70112.9T186 R194T186-K190 HydrophobicContact CG2-CD 4.02Å; T186-K190 HydrophobicContact CG2-CG 4.39Å; T186-K190 WeakPolarHBondContact O-CB 3.47Å; T186-K190 WeakPolarHBondContact O-CG 3.37Å; T186-K190 PolarHBondContact O-N 2.85Å; K190-R194 WeakPolarHBondContact O-CB 3.39Å; K190-R194 WeakPolarHBondContact O-CD 3.22Å; K190-R194 WeakPolarHBondContact O-CG 3.47Å; K190-R194 PolarHBondContact O-N 2.99Å
191F94.4Very high94.3Very high95 Ų9573.1 Ų73.142%0.41740%0.397SS..Hα-helixtrans-64.2-46.1173.6172-98.2000111.4D187 S188 Q189 R194 E195 L198 T206D187-F191 WeakPolarHBondContact O-CB 3.39Å; D187-F191 PolarHBondContact O-N 2.9Å; S188-F191 PolarHBondContact O-N 3.02Å; Q189-F191 PolarHBondContact O-N 2.84Å; F191-R194 PolarHBondContact O-N 3.38Å; F191-E195 HydrophobicContact CD2-CG 4.27Å; F191-E195 HydrophobicContact CE1-CG 4.22Å; F191-E195 HydrophobicContact CE2-CG 3.77Å; F191-E195 HydrophobicContact CZ-CG 3.75Å; F191-E195 WeakPolarHBondContact O-CG 3.33Å; F191-E195 PolarHBondContact O-N 3.41Å; F191-L198 HydrophobicContact CE1-CD1 4.04Å; F191-T206 HydrophobicContact CD1-CG2 3.71Å; F191-T206 HydrophobicContact CE1-CG2 3.76Å
192A94.9Very high94.4Very high1 Ų174.2 Ų74.21%0.00840%0.398CS..Hα-helixtrans-63.1-40.9176.700000112.5S188 Q189 R194 E195 L198 V200S188-A192 PolarHBondContact O-N 2.8Å; S188-A192 VanDerWaalsContact O-N 3.16Å; Q189-A192 WeakPolarHBondContact O-CA 3.49Å; Q189-A192 WeakPolarHBondContact O-CB 3.48Å; Q189-A192 PolarHBondContact O-N 2.65Å; A192-R194 VanDerWaalsContact C-N 3.31Å; A192-R194 PolarHBondContact O-N 3.07Å; A192-E195 PolarHBondContact O-N 3.23Å; A192-L198 HydrophobicContact CB-CB 4.13Å; A192-V200 HydrophobicContact CB-CG2 4.37Å
193E95.7Very high94.5Very high129 Ų12966.9 Ų66.960%0.60337%0.366SS*.Hα-helixtrans-62.6-34.7177.5-70.4167.8176.100113.2Q189 V200Q189-E193 WeakPolarHBondContact O-CG 3.29Å; Q189-E193 PolarHBondContact O-N 3.13Å; E193-V200 HydrophobicContact CG-CG2 3.65Å
194R94.1Very high94.6Very high207 Ų20762.3 Ų62.378%0.78134%0.342SS*.Hα-helixtrans-78-26.9180-72.1169.8-174.5-176.10.8113.1K190 F191 A192K190-R194 WeakPolarHBondContact O-CB 3.39Å; K190-R194 WeakPolarHBondContact O-CD 3.22Å; K190-R194 WeakPolarHBondContact O-CG 3.47Å; K190-R194 PolarHBondContact O-N 2.99Å; F191-R194 PolarHBondContact O-N 3.38Å; A192-R194 VanDerWaalsContact C-N 3.31Å; A192-R194 PolarHBondContact O-N 3.07Å
195E90.3Very high94.8Very high68 Ų6860.6 Ų60.632%0.31833%0.331SS..SBendtrans-92.7116.1-177.7-70.3-76.215100110.1F191 A192 G197 L198 R280F191-E195 HydrophobicContact CD2-CG 4.27Å; F191-E195 HydrophobicContact CE1-CG 4.22Å; F191-E195 HydrophobicContact CE2-CG 3.77Å; F191-E195 HydrophobicContact CZ-CG 3.75Å; F191-E195 WeakPolarHBondContact O-CG 3.33Å; F191-E195 PolarHBondContact O-N 3.41Å; A192-E195 PolarHBondContact O-N 3.23Å; E195-G197 PolarHBondContact O-N 2.69Å; E195-L198 HydrophobicContact CB-CD1 3.58Å; E195-L198 HydrophobicContact CB-CG 3.85Å; E195-L198 HydrophobicContact CG-CD1 4.16Å; E195-L198 PolarHBondContact O-N 3.2Å; E195-R280 IonicContact OE2-NH1 3.44Å; E195-R280 PolarHBondContact OE2-NH1 3.35Å
196A82.9Confident94.8Very high94 Ų9460.1 Ų60.178%0.77733%0.329SS*.THydrogen-bonded Turntrans-58.9126-179.400000111.8
197G85.9Confident94.8Very high83 Ų8357.8 Ų57.886%0.85632%0.315SS*.THydrogen-bonded Turntrans89.111.4174.500000115.8E195E195-G197 PolarHBondContact O-N 2.69Å
198L94.1Very high94.7Very high26 Ų2660.2 Ų60.214%0.13632%0.317CS..  trans-98.6136.6171.9-57.3-167.1000111.5F191 A192 E195 T206 H284F191-L198 HydrophobicContact CE1-CD1 4.04Å; A192-L198 HydrophobicContact CB-CB 4.13Å; E195-L198 HydrophobicContact CB-CD1 3.58Å; E195-L198 HydrophobicContact CB-CG 3.85Å; E195-L198 HydrophobicContact CG-CD1 4.16Å; E195-L198 PolarHBondContact O-N 3.2Å; L198-T206 HydrophobicContact CD1-CG2 4.24Å; L198-H284 HydrophobicContact CD2-CB 4.03Å; L198-H284 VanDerWaalsContact CD2-CD2 3.47Å; L198-H284 WeakPolarHBondContact CD2-CD2 3.36Å
199A95.6Very high94.6Very high43 Ų4360.5 Ų60.536%0.35532%0.318SS..  trans-75141.5170.900000110.7L201 E288A199-L201 HydrophobicContact CB-CD2 4.19Å; A199-L201 PolarHBondContact O-N 3.25Å; A199-E288 HydrophobicContact CB-CG 4.06Å
200V97.3Very high94.4Very high71 Ų7164.4 Ų64.443%0.4333%0.334SS..  trans-80.4114.6171.6-177.40000108.4Q189 A192 E193Q189-V200 HydrophobicContact CB-CG1 3.77Å; Q189-V200 HydrophobicContact CG-CG1 3.63Å; A192-V200 HydrophobicContact CB-CG2 4.37Å; E193-V200 HydrophobicContact CG-CG2 3.65Å
201L97.8Very high94.3Very high10 Ų1060.9 Ų60.95%0.05232%0.322CS..  trans-90.4146.8-174.2-52.5-178.7000111.3Q189 A199 T204 F287 D291Q189-L201 PolarHBondContact NE2-O 2.72Å; Q189-L201 VanDerWaalsContact NE2-O 3.12Å; A199-L201 HydrophobicContact CB-CD2 4.19Å; A199-L201 PolarHBondContact O-N 3.25Å; L201-T204 WeakPolarHBondContact CB-O 3.48Å; L201-T204 WeakPolarHBondContact CD1-OG1 3.29Å; L201-F287 HydrophobicContact CD1-CB 4.04Å; L201-D291 HydrophobicContact CB-CB 4.41Å; L201-D291 HydrophobicContact CD2-CB 3.9Å
202K95.6Very high94.4Very high97 Ų9756.4 Ų56.442%0.42230%0.303SS..SBendtrans-107.4-43.5-175.4-173.2178.3-176.5-178.40113.6Y177 D291 E299Y177-K202 WeakPolarHBondContact CE2-O 3.22Å; Y177-K202 PolarHBondContact OH-O 2.87Å; K202-D291 VanDerWaalsContact N-CG 3.32Å; K202-D291 PolarHBondContact N-OD1 3.35Å; K202-D291 VanDerWaalsContact N-OD1 3.1Å; K202-D291 PolarHBondContact N-OD2 3.34Å; K202-E299 WeakPolarHBondContact CE-OE1 3.48Å; K202-E299 IonicContact NZ-OE1 2.66Å; K202-E299 PolarHBondContact NZ-OE1 2.98Å; K202-E299 IonicContact NZ-OE2 3.26Å; K202-E299 PolarHBondContact NZ-OE2 3.28Å
203H96.7Very high94.5Very high5 Ų558 Ų582%0.02331%0.31CS..SBendtrans-107.1-3.9-174.8-67-89.5000114R243 D291 L294 T295 Y298 E299H203-R243 PolarHBondContact ND1-NH1 3.17Å; H203-R243 PolarHBondContact O-NH1 3.29Å; H203-D291 WeakPolarHBondContact CA-OD1 3.49Å; H203-D291 PolarHBondContact N-OD1 2.87Å; H203-L294 HydrophobicContact CB-CB 3.54Å; H203-L294 HydrophobicContact CB-CD1 4.14Å; H203-L294 HydrophobicContact CB-CG 4.47Å; H203-T295 PolarHBondContact CD2-OG1 3.45Å; H203-Y298 AromaticContact ND1-CD2 3.69Å; H203-E299 IonicContact CE1-OE1 2.65Å; H203-E299 PolarHBondContact CE1-OE1 2.73Å; H203-E299 VanDerWaalsContact CE1-OE1 3.29Å; H203-E299 IonicContact NE2-OE1 3.88Å; H203-E299 PolarHBondContact NE2-OE1 3.21Å; H203-E299 VanDerWaalsContact NE2-OE1 3.14Å; H203-E299 IonicContact NE2-OE2 2.79Å
204T97.8Very high94.6Very high3 Ų352.9 Ų52.92%0.01829%0.286CS..SBendtrans-134160.5175.557.70000110.8N92 L201 K290 D291 L294N92-T204 HydrophobicContact CB-CG2 3.96Å; L201-T204 WeakPolarHBondContact CB-O 3.48Å; L201-T204 WeakPolarHBondContact CD1-OG1 3.29Å; T204-K290 HydrophobicContact CG2-CB 4.38Å; T204-D291 PolarHBondContact N-OD1 3.4Å; T204-D291 PolarHBondContact OG1-OD1 3.01Å; T204-L294 HydrophobicContact CG2-CD1 3.49Å; T204-L294 VanDerWaalsContact CG2-CD1 3.49Å
205L97.8Very high94.7Very high6 Ų643 Ų433%0.03125%0.249CC..PPolyproline II helixtrans-90.2155170.1-54.5174.7000110.9E173 T175 Y177 V184 I185E173-L205 HydrophobicContact CB-CB 4.11Å; E173-L205 HydrophobicContact CG-CB 4.11Å; E173-L205 VanDerWaalsContact OE2-CB 3.25Å; E173-L205 WeakPolarHBondContact OE2-CB 3.35Å; E173-L205 WeakPolarHBondContact OE2-CG 3.42Å; E173-L205 PolarHBondContact OE2-N 3.38Å; T175-L205 HydrophobicContact CG2-CD1 3.36Å; Y177-L205 HydrophobicContact CD2-CD2 3.95Å; Y177-L205 HydrophobicContact CD2-CG 4.1Å; V184-L205 HydrophobicContact CG1-CD1 3.88Å; V184-L205 HydrophobicContact CG1-CD2 4.28Å; I185-L205 HydrophobicContact CG1-CD2 4.28Å
206T97.2Very high95.1Very high11 Ų1139.9 Ų39.97%0.06723%0.234CC..PPolyproline II helixtrans-61.7121.3177.3-54.50000109.5S188 F191 L198S188-T206 PolarHBondContact O-OG1 2.72Å; S188-T206 VanDerWaalsContact O-OG1 3.14Å; S188-T206 WeakPolarHBondContact OG-CB 3.3Å; S188-T206 PolarHBondContact OG-N 3.27Å; S188-T206 PolarHBondContact OG-OG1 3Å; S188-T206 VanDerWaalsContact OG-OG1 3.09Å; F191-T206 HydrophobicContact CD1-CG2 3.71Å; F191-T206 HydrophobicContact CE1-CG2 3.76Å; L198-T206 HydrophobicContact CD1-CG2 4.24Å
207P96.6Very high95.7Very high4 Ų439.3 Ų39.33%0.02622%0.218CC..PPolyproline II helixtrans-69.4143-17228.6-37.7000112.5P172 M283 F287P172-P207 HydrophobicContact CB-CB 3.69Å; P207-M283 HydrophobicContact CB-CG 4.02Å; P207-M283 HydrophobicContact CG-CG 4.02Å; P207-F287 HydrophobicContact CB-CD1 4.19Å; P207-F287 HydrophobicContact CB-CD2 3.61Å; P207-F287 HydrophobicContact CB-CE1 4.28Å; P207-F287 HydrophobicContact CB-CE2 3.7Å; P207-F287 HydrophobicContact CB-CG 3.87Å; P207-F287 HydrophobicContact CB-CZ 4.05Å; P207-F287 HydrophobicContact CG-CB 3.88Å; P207-F287 HydrophobicContact CG-CD1 4.23Å; P207-F287 HydrophobicContact CG-CD2 3.59Å; P207-F287 HydrophobicContact CG-CE2 4.22Å; P207-F287 HydrophobicContact CG-CG 3.6Å
208R93.9Very high96.2Very high150 Ų15036.6 Ų36.657%0.56618%0.184SC*.PPolyproline II helixtrans-87.1127167.7-56.6-174.5178.4-141.5-2.7109.5R143 P172R143-R208 PolarHBondContact O-NH1 3.37Å; P172-R208 WeakPolarHBondContact O-CA 3.04Å; P172-R208 VanDerWaalsContact O-CB 3.32Å; P172-R208 WeakPolarHBondContact O-CB 3.3Å; P172-R208 PolarHBondContact O-N 3.14Å
209V94.1Very high96.2Very high23 Ų2335.4 Ų35.414%0.13918%0.178CC..  trans-92.2-32-166.3-1770000113.8A211 S212 H213 F279 R280 M283V209-A211 PolarHBondContact O-N 3.36Å; V209-S212 PolarHBondContact O-N 3.49Å; V209-H213 HydrophobicContact CG1-CB 4.29Å; V209-H213 WeakPolarHBondContact O-CB 3.39Å; V209-H213 PolarHBondContact O-N 2.88Å; V209-F279 HydrophobicContact CG1-CD1 3.4Å; V209-F279 HydrophobicContact CG1-CE1 3.65Å; V209-R280 HydrophobicContact CG1-CB 4.33Å; V209-R280 HydrophobicContact CG2-CB 4.5Å; V209-R280 HydrophobicContact CG2-CG 4.21Å; V209-M283 HydrophobicContact CG2-CB 4.32Å; V209-M283 HydrophobicContact CG2-CG 4.3Å
210K93.5Very high96.2Very high135 Ų13535.3 Ų35.359%0.58717%0.171SC*.Hα-helixtrans-56.2-46.2-165.8-63.8-171.7177.8-170.60115F147 L214F147-K210 HydrophobicContact CD1-CB 3.85Å; F147-K210 HydrophobicContact CE1-CB 4.11Å; K210-L214 VanDerWaalsContact O-CB 3.25Å; K210-L214 WeakPolarHBondContact O-CB 3.37Å; K210-L214 PolarHBondContact O-N 3.06Å
211A93.9Very high96Very high18 Ų1839.6 Ų39.615%0.14919%0.192CC..Hα-helixtrans-68.7-43.7-17700000111.7F147 M152 V209 A215F147-A211 HydrophobicContact CE1-CB 4.34Å; F147-A211 HydrophobicContact CE2-CB 3.97Å; F147-A211 HydrophobicContact CZ-CB 3.72Å; M152-A211 HydrophobicContact CE-CB 4.36Å; M152-A211 VanDerWaalsContact CE-O 3.24Å; M152-A211 WeakPolarHBondContact CE-O 3.39Å; M152-A211 HydrophobicContact SD-CB 4.23Å; V209-A211 PolarHBondContact O-N 3.36Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.34Å
212S96.8Very high95.8Very high1 Ų140.8 Ų40.81%0.00720%0.201CC..Hα-helixtrans-65.3-44.2177.4-51.30000111.6V209 A215 V216V209-S212 PolarHBondContact O-N 3.49Å; S212-A215 PolarHBondContact O-N 2.56Å; S212-V216 WeakPolarHBondContact O-CG2 3.46Å; S212-V216 PolarHBondContact O-N 3.07Å
213H97.7Very high95.8Very high34 Ų3436.6 Ų36.616%0.15718%0.183CC..Hα-helixtrans-60.7-47.8177.1180-110.7000111.5V209 A215 V216 N217 L274 F279V209-H213 HydrophobicContact CG1-CB 4.29Å; V209-H213 WeakPolarHBondContact O-CB 3.39Å; V209-H213 PolarHBondContact O-N 2.88Å; H213-A215 VanDerWaalsContact C-N 3.29Å; H213-A215 PolarHBondContact O-N 3.24Å; H213-V216 PolarHBondContact O-N 3Å; H213-N217 VanDerWaalsContact O-CB 3.24Å; H213-N217 WeakPolarHBondContact O-CB 3.38Å; H213-N217 PolarHBondContact O-N 3.34Å; H213-L274 PolarHBondContact NE2-O 3.1Å; H213-F279 HydrophobicContact CB-CD1 3.51Å; H213-F279 HydrophobicContact CB-CE1 3.52Å; H213-F279 HydrophobicContact CB-CG 4.29Å; H213-F279 HydrophobicContact CB-CZ 4.29Å; H213-F279 AromaticContact CD2-CD1 3.64Å; H213-F279 AromaticContact CD2-CG 3.55Å; H213-F279 AromaticContact CG-CD1 3.92Å; H213-F279 VanDerWaalsContact N-CE1 3.32Å
214L96.8Very high95.9Very high22 Ų2239.5 Ų39.512%0.11520%0.199CC..Hα-helixtrans-60.3-39.8177.2-176.664000111.9F147 E149 M152 K210 I218F147-L214 HydrophobicContact CE1-CD2 3.94Å; F147-L214 HydrophobicContact CZ-CD2 4.06Å; E149-L214 HydrophobicContact CB-CD2 3.98Å; E149-L214 HydrophobicContact CG-CD2 4.22Å; M152-L214 HydrophobicContact CB-CD2 3.98Å; M152-L214 HydrophobicContact CG-CD2 3.97Å; M152-L214 HydrophobicContact SD-CD2 4.44Å; K210-L214 VanDerWaalsContact O-CB 3.25Å; K210-L214 WeakPolarHBondContact O-CB 3.37Å; K210-L214 PolarHBondContact O-N 3.06Å; L214-I218 HydrophobicContact CD1-CD1 3.57Å; L214-I218 HydrophobicContact CD1-CG1 4.17Å; L214-I218 HydrophobicContact CG-CD1 3.75Å; L214-I218 WeakPolarHBondContact O-CB 3.4Å; L214-I218 WeakPolarHBondContact O-CD1 3.5Å; L214-I218 VanDerWaalsContact O-CG1 3.23Å; L214-I218 WeakPolarHBondContact O-CG1 3.48Å; L214-I218 PolarHBondContact O-N 3.11Å; L214-I218 VanDerWaalsContact O-N 3.07Å
215A97Very high95.9Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-64.5-51.3177.600000112.2I88 M152 L156 L168 I170 A211 S212 H213 N217 I218 M219I88-A215 HydrophobicContact CD1-CB 3.57Å; I88-A215 HydrophobicContact CG1-CB 4.46Å; M152-A215 HydrophobicContact CE-CB 3.76Å; L156-A215 HydrophobicContact CD1-CB 4.11Å; L168-A215 HydrophobicContact CD2-CB 3.82Å; I170-A215 HydrophobicContact CD1-CB 3.95Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.34Å; S212-A215 PolarHBondContact O-N 2.56Å; H213-A215 VanDerWaalsContact C-N 3.29Å; H213-A215 PolarHBondContact O-N 3.24Å; A215-N217 PolarHBondContact O-N 3.45Å; A215-I218 PolarHBondContact O-N 2.78Å; A215-M219 WeakPolarHBondContact O-CB 3.29Å; A215-M219 WeakPolarHBondContact O-CG 3.31Å; A215-M219 PolarHBondContact O-N 2.82Å
216V97.3Very high95.9Very high1 Ų139.1 Ų39.11%0.00620%0.197CC..Hα-helixtrans-57.9-49.8177.3170.50000110I88 S212 H213 I218 M219 N220 V226 I269 I272 L274 F279I88-V216 HydrophobicContact CD1-CB 4.33Å; I88-V216 HydrophobicContact CD1-CG2 3.57Å; S212-V216 WeakPolarHBondContact O-CG2 3.46Å; S212-V216 PolarHBondContact O-N 3.07Å; H213-V216 PolarHBondContact O-N 3Å; V216-I218 VanDerWaalsContact C-N 3.33Å; V216-I218 PolarHBondContact O-N 3.27Å; V216-M219 PolarHBondContact O-N 2.92Å; V216-N220 WeakPolarHBondContact O-CA 3.41Å; V216-N220 WeakPolarHBondContact O-CB 3.49Å; V216-N220 PolarHBondContact O-N 3.45Å; V216-V226 HydrophobicContact CG2-CG2 4.36Å; V216-I269 HydrophobicContact CG1-CD1 4.17Å; V216-I272 HydrophobicContact CG1-CG2 4.06Å; V216-L274 HydrophobicContact CG1-CD2 3.78Å; V216-F279 HydrophobicContact CB-CE2 4.21Å; V216-F279 HydrophobicContact CG1-CE2 4.35Å; V216-F279 HydrophobicContact CG2-CE2 3.89Å; V216-F279 HydrophobicContact CG2-CZ 4.13Å
217N96.3Very high96Very high82 Ų8238.6 Ų38.644%0.43919%0.193SC..Hα-helixtrans-63.1-35.5-177.1-173.460.8000113.5H213 A215H213-N217 VanDerWaalsContact O-CB 3.24Å; H213-N217 WeakPolarHBondContact O-CB 3.38Å; H213-N217 PolarHBondContact O-N 3.34Å; A215-N217 PolarHBondContact O-N 3.45Å
218I95.9Very high96.1Very high26 Ų2638.4 Ų38.413%0.13319%0.192CC..Hα-helixtrans-78.5-38.3179.4-71170000112K153 L156 L157 L214 A215 V216K153-I218 HydrophobicContact CB-CD1 3.62Å; K153-I218 HydrophobicContact CD-CD1 4.21Å; K153-I218 HydrophobicContact CG-CD1 3.56Å; K153-I218 HydrophobicContact CG-CG1 4.44Å; L156-I218 HydrophobicContact CB-CB 4.48Å; L156-I218 HydrophobicContact CB-CD1 4.4Å; L156-I218 HydrophobicContact CB-CG2 3.77Å; L156-I218 HydrophobicContact CD1-CB 4.46Å; L156-I218 HydrophobicContact CD1-CD1 4.05Å; L157-I218 HydrophobicContact CD2-CG2 3.8Å; L157-I218 HydrophobicContact CG-CG2 3.92Å; L214-I218 HydrophobicContact CD1-CD1 3.57Å; L214-I218 HydrophobicContact CD1-CG1 4.17Å; L214-I218 HydrophobicContact CG-CD1 3.75Å; L214-I218 WeakPolarHBondContact O-CB 3.4Å; L214-I218 WeakPolarHBondContact O-CD1 3.5Å; L214-I218 VanDerWaalsContact O-CG1 3.23Å; L214-I218 WeakPolarHBondContact O-CG1 3.48Å; L214-I218 PolarHBondContact O-N 3.11Å; L214-I218 VanDerWaalsContact O-N 3.07Å; A215-I218 PolarHBondContact O-N 2.78Å; V216-I218 VanDerWaalsContact C-N 3.33Å; V216-I218 PolarHBondContact O-N 3.27Å
219M95.2Very high96.3Very high1 Ų131.3 Ų31.31%0.00517%0.165CC..Hα-helixtrans-99.72.3-171.5-55.4-168.2-19.700113.2I88 L156 M166 A215 V216 D221 S222 L223I88-M219 HydrophobicContact CD1-CE 4.19Å; I88-M219 HydrophobicContact CG1-CE 3.87Å; L156-M219 HydrophobicContact CD2-SD 3.74Å; M166-M219 HydrophobicContact CB-CE 4.29Å; M166-M219 HydrophobicContact CE-CE 4.49Å; M166-M219 HydrophobicContact CE-SD 3.97Å; M166-M219 HydrophobicContact CG-SD 4.44Å; A215-M219 WeakPolarHBondContact O-CB 3.29Å; A215-M219 WeakPolarHBondContact O-CG 3.31Å; A215-M219 PolarHBondContact O-N 2.82Å; V216-M219 PolarHBondContact O-N 2.92Å; M219-D221 VanDerWaalsContact C-N 3.27Å; M219-D221 PolarHBondContact O-N 3.34Å; M219-D221 VanDerWaalsContact O-N 3.11Å; M219-S222 CarbonylContact O-C 3.48Å; M219-S222 WeakPolarHBondContact O-CA 3.29Å; M219-S222 PolarHBondContact O-N 3.22Å; M219-S222 PolarHBondContact O-OG 3.43Å; M219-L223 HydrophobicContact CB-CD1 3.82Å; M219-L223 HydrophobicContact CB-CG 3.82Å; M219-L223 HydrophobicContact CE-CD1 4.01Å; M219-L223 HydrophobicContact CE-CD2 3.49Å; M219-L223 VanDerWaalsContact CE-CD2 3.49Å; M219-L223 HydrophobicContact CE-CG 3.87Å; M219-L223 WeakPolarHBondContact O-CG 3.04Å; M219-L223 PolarHBondContact O-N 2.83Å
220N94.8Very high96.5Very high41 Ų4130.2 Ų30.222%0.21916%0.159CC..G310 helixtrans-43.4-49.9-173.2-177.878.3000113.4V216 S222 L223 L274V216-N220 WeakPolarHBondContact O-CA 3.41Å; V216-N220 WeakPolarHBondContact O-CB 3.49Å; V216-N220 PolarHBondContact O-N 3.45Å; N220-S222 PolarHBondContact O-N 2.75Å; N220-L223 PolarHBondContact O-N 2.87Å; N220-L274 HydrophobicContact CB-CD2 4.47Å
221D93.5Very high96.7Very high161 Ų16123.8 Ų23.886%0.86113%0.131SC*.G310 helixtrans-73.6-11-175-54.9-21.6000113.6M219M219-D221 VanDerWaalsContact C-N 3.27Å; M219-D221 PolarHBondContact O-N 3.34Å; M219-D221 VanDerWaalsContact O-N 3.11Å
222S93.9Very high96.9Very high35 Ų3522.9 Ų22.925%0.24512%0.124CC..G310 helixtrans-111.9-9.5-178.963.30000114N86 M219 N220N86-S222 WeakPolarHBondContact CB-O 3.44Å; N86-S222 PolarHBondContact ND2-O 3.45Å; M219-S222 CarbonylContact O-C 3.48Å; M219-S222 WeakPolarHBondContact O-CA 3.29Å; M219-S222 PolarHBondContact O-N 3.22Å; M219-S222 PolarHBondContact O-OG 3.43Å; N220-S222 PolarHBondContact O-N 2.75Å
223L96.2Very high96.9Very high9 Ų922.9 Ų22.95%0.04712%0.123CC..  trans-89.5142-179.5-77.7173.4000110.4N86 I88 M219 N220 I269N86-L223 WeakPolarHBondContact O-CA 3.2Å; N86-L223 WeakPolarHBondContact O-CD2 3.46Å; I88-L223 HydrophobicContact CD1-CD1 3.61Å; I88-L223 HydrophobicContact CG1-CD1 3.99Å; I88-L223 HydrophobicContact CG1-CD2 4.16Å; M219-L223 HydrophobicContact CB-CD1 3.82Å; M219-L223 HydrophobicContact CB-CG 3.82Å; M219-L223 HydrophobicContact CE-CD1 4.01Å; M219-L223 HydrophobicContact CE-CD2 3.49Å; M219-L223 VanDerWaalsContact CE-CD2 3.49Å; M219-L223 HydrophobicContact CE-CG 3.87Å; M219-L223 WeakPolarHBondContact O-CG 3.04Å; M219-L223 PolarHBondContact O-N 2.83Å; N220-L223 PolarHBondContact O-N 2.87Å; L223-I269 HydrophobicContact CB-CB 4.43Å; L223-I269 HydrophobicContact CB-CD1 3.95Å; L223-I269 HydrophobicContact CB-CG1 3.95Å; L223-I269 HydrophobicContact CD1-CD1 3.88Å; L223-I269 WeakPolarHBondContact O-CG2 3.31Å
224D96.9Very high96.7Very high67 Ų6724.5 Ų24.536%0.35813%0.131SC..  trans-91.2-40169.7-58.3-63.7000110.5E85 N86 I269E85-D224 VanDerWaalsContact CA-OD2 3.32Å; E85-D224 WeakPolarHBondContact CA-OD2 3.47Å; E85-D224 HydrophobicContact CB-CB 3.95Å; E85-D224 HydrophobicContact CG-CB 4.13Å; N86-D224 PolarHBondContact N-OD2 2.9Å; N86-D224 PolarHBondContact O-N 3.12Å; D224-I269 PolarHBondContact O-N 2.86Å
225A97.8Very high96.3Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-158.4167.9-173.400000113.9V87 I88 Y227 R266 V267V87-A225 VanDerWaalsContact CA-O 3.3Å; V87-A225 WeakPolarHBondContact CA-O 3.36Å; V87-A225 HydrophobicContact CG1-CB 4.3Å; I88-A225 PolarHBondContact N-O 2.99Å; A225-Y227 HydrophobicContact CB-CD1 4.33Å; A225-Y227 HydrophobicContact CB-CE1 4.19Å; A225-R266 HydrophobicContact CB-CG 3.79Å; A225-V267 CarbonylContact C-O 3.57Å; A225-V267 VanDerWaalsContact CA-O 3.28Å; A225-V267 WeakPolarHBondContact CA-O 3.19Å; A225-V267 WeakPolarHBondContact CB-O 3.26Å
226V98.5Very high96.1Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-103.1128155.5170.30000108.8I88 L90 V216 V267 I272 W282I88-V226 HydrophobicContact CB-CG2 4.19Å; I88-V226 CarbonylContact O-C 3.54Å; I88-V226 VanDerWaalsContact O-CA 3.3Å; I88-V226 WeakPolarHBondContact O-CA 3.37Å; L90-V226 HydrophobicContact CB-CG1 4.4Å; L90-V226 HydrophobicContact CD1-CG1 3.67Å; L90-V226 HydrophobicContact CG-CG1 3.77Å; V216-V226 HydrophobicContact CG2-CG2 4.36Å; V226-V267 PolarHBondContact N-O 3.28Å; V226-V267 PolarHBondContact O-N 3.36Å; V226-I272 HydrophobicContact CB-CD1 3.52Å; V226-I272 HydrophobicContact CG2-CD1 3.17Å; V226-W282 HydrophobicContact CB-CH2 4.44Å; V226-W282 HydrophobicContact CG1-CH2 4.1Å
227Y98.6Very high95.8Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-89.6108.4168.3-65.8-12.9000108.6P81 E85 V87 I88 Y89 L90 Q109 Y167 A225 F264 R266P81-Y227 HydrophobicContact CG-CE1 4.05Å; P81-Y227 WeakPolarHBondContact CG-OH 3.32Å; E85-Y227 WeakPolarHBondContact OE2-CE1 3.34Å; E85-Y227 PolarHBondContact OE2-OH 3.39Å; E85-Y227 VanDerWaalsContact OE2-OH 3.05Å; V87-Y227 HydrophobicContact CB-CD1 4.46Å; V87-Y227 HydrophobicContact CB-CD2 4.17Å; V87-Y227 HydrophobicContact CB-CE1 4.5Å; V87-Y227 HydrophobicContact CB-CE2 4.21Å; V87-Y227 HydrophobicContact CB-CG 4.31Å; V87-Y227 HydrophobicContact CG1-CD1 4.05Å; V87-Y227 HydrophobicContact CG1-CD2 4.21Å; V87-Y227 HydrophobicContact CG1-CE1 3.66Å; V87-Y227 HydrophobicContact CG1-CE2 3.84Å; V87-Y227 HydrophobicContact CG1-CG 4.33Å; V87-Y227 HydrophobicContact CG2-CD2 3.77Å; V87-Y227 HydrophobicContact CG2-CE2 3.78Å; V87-Y227 HydrophobicContact CG2-CG 4.37Å; I88-Y227 PolarHBondContact O-N 3.12Å; Y89-Y227 WeakPolarHBondContact CA-O 3.47Å; L90-Y227 PolarHBondContact N-O 2.59Å; Q109-Y227 VanDerWaalsContact OE1-CZ 3.29Å; Q109-Y227 PolarHBondContact OE1-OH 3.1Å; Y167-Y227 AromaticContact CE2-CD2 3.98Å; Y167-Y227 HydrophobicContact CE2-CD2 3.98Å; Y167-Y227 AromaticContact CE2-CE2 3.74Å; Y167-Y227 HydrophobicContact CE2-CE2 3.74Å; Y167-Y227 AromaticContact CZ-CD2 3.82Å; Y167-Y227 WeakPolarHBondContact OH-CD2 3.47Å; A225-Y227 HydrophobicContact CB-CD1 4.33Å; A225-Y227 HydrophobicContact CB-CE1 4.19Å; Y227-F264 HydrophobicContact CD1-CE1 4.33Å; Y227-F264 HydrophobicContact CD1-CE2 4.34Å; Y227-F264 AromaticContact CD1-CZ 3.61Å; Y227-F264 HydrophobicContact CD1-CZ 3.61Å; Y227-F264 AromaticContact CD2-CE2 3.72Å; Y227-F264 HydrophobicContact CD2-CE2 3.72Å; Y227-F264 AromaticContact CD2-CZ 3.66Å; Y227-F264 HydrophobicContact CD2-CZ 3.66Å; Y227-F264 HydrophobicContact CE1-CE1 4.48Å; Y227-F264 AromaticContact CE1-CZ 3.8Å; Y227-F264 HydrophobicContact CE1-CZ 3.8Å; Y227-F264 HydrophobicContact CE2-CE2 4.19Å; Y227-F264 AromaticContact CE2-CZ 3.84Å; Y227-F264 HydrophobicContact CE2-CZ 3.84Å; Y227-F264 AromaticContact CG-CE2 3.78Å; Y227-F264 HydrophobicContact CG-CE2 3.78Å; Y227-F264 AromaticContact CG-CZ 3.52Å; Y227-F264 HydrophobicContact CG-CZ 3.52Å; Y227-F264 AromaticContact CZ-CZ 3.89Å; Y227-R266 HydrophobicContact CD1-CB 4.31Å; Y227-R266 HydrophobicContact CD1-CG 4.11Å; Y227-R266 HydrophobicContact CE1-CB 4.37Å; Y227-R266 HydrophobicContact CE1-CG 3.89Å
228D98.6Very high95.4Very high1 Ų127.4 Ų27.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-95.2107175.9-170.545.8000109.9D265 V267 R286 K290D228-D265 PolarHBondContact N-O 2.71Å; D228-D265 PolarHBondContact O-N 3.18Å; D228-V267 HydrophobicContact CB-CG2 4.47Å; D228-R286 IonicContact OD2-CZ 3.61Å; D228-R286 IonicContact OD2-NE 3.15Å; D228-R286 PolarHBondContact OD2-NE 3.15Å; D228-R286 IonicContact OD2-NH2 3.47Å; D228-R286 PolarHBondContact OD2-NH2 3.05Å; D228-K290 WeakPolarHBondContact OD1-CE 3.35Å; D228-K290 IonicContact OD1-NZ 3.6Å; D228-K290 PolarHBondContact OD1-NZ 2.88Å; D228-K290 IonicContact OD2-NZ 2.82Å; D228-K290 PolarHBondContact OD2-NZ 2.78Å
229V98.8Very high94.9Very high0 Ų034.5 Ų34.50%020%0.199CC..EExtended strand (participates in β ladder)trans-116.6133.4-167.7179.70000111.1Y89 L90 S91 L105 V231 I262 H263 F264 K290Y89-V229 HydrophobicContact CD2-CB 4.36Å; Y89-V229 HydrophobicContact CD2-CG2 3.83Å; Y89-V229 HydrophobicContact CE2-CB 3.58Å; Y89-V229 HydrophobicContact CE2-CG1 3.91Å; Y89-V229 HydrophobicContact CE2-CG2 3.38Å; Y89-V229 WeakPolarHBondContact OH-CG1 3.13Å; L90-V229 PolarHBondContact O-N 3.44Å; S91-V229 VanDerWaalsContact CA-O 3.23Å; S91-V229 WeakPolarHBondContact CA-O 3.17Å; S91-V229 WeakPolarHBondContact CB-O 3.45Å; S91-V229 PolarHBondContact OG-O 3Å; L105-V229 HydrophobicContact CD1-CG1 3.94Å; L105-V229 HydrophobicContact CD1-CG2 4.26Å; V229-V231 HydrophobicContact CG1-CG2 4.16Å; V229-I262 HydrophobicContact CG1-CG2 3.52Å; V229-H263 CarbonylContact C-O 3.47Å; V229-H263 VanDerWaalsContact CA-O 3.31Å; V229-H263 WeakPolarHBondContact CA-O 3.43Å; V229-F264 HydrophobicContact CG2-CD2 3.75Å; V229-F264 HydrophobicContact CG2-CE2 4.18Å; V229-K290 PolarHBondContact O-NZ 3.47Å
230T98.8Very high94.5Very high0 Ų038.3 Ų38.30%023%0.225CC..EExtended strand (participates in β ladder)trans-115.9124.6174.4-47.70000108.6N92 I262 H263 K290 M293 L294 F309N92-T230 WeakPolarHBondContact OD1-CA 3.42Å; T230-I262 CarbonylContact O-C 3.6Å; T230-I262 WeakPolarHBondContact O-CA 3.29Å; T230-H263 PolarHBondContact N-O 2.82Å; T230-H263 PolarHBondContact O-N 3.38Å; T230-K290 HydrophobicContact CG2-CB 4.08Å; T230-K290 HydrophobicContact CG2-CG 4.39Å; T230-K290 WeakPolarHBondContact OG1-CG 3.34Å; T230-K290 PolarHBondContact OG1-NZ 2.85Å; T230-M293 WeakPolarHBondContact OG1-CE 3.28Å; T230-L294 HydrophobicContact CG2-CD1 4.08Å; T230-L294 HydrophobicContact CG2-CD2 4.16Å; T230-L294 HydrophobicContact CG2-CG 3.94Å; T230-F309 HydrophobicContact CG2-CE1 4.2Å; T230-F309 HydrophobicContact CG2-CZ 3.87Å; T230-F309 WeakPolarHBondContact O-CE2 3Å
231V98.6Very high94Very high0 Ų038.6 Ų38.60%024%0.238CC..EExtended strand (participates in β ladder)trans-108.2135.5-179.5-176.90000109.2N92 Q94 I101 V229 Y233 I260 H261N92-V231 PolarHBondContact ND2-O 3.28Å; N92-V231 PolarHBondContact OD1-N 3.15Å; Q94-V231 PolarHBondContact NE2-O 3.27Å; I101-V231 HydrophobicContact CB-CG2 4.49Å; I101-V231 HydrophobicContact CG1-CG1 4.4Å; I101-V231 HydrophobicContact CG2-CG1 4.37Å; I101-V231 HydrophobicContact CG2-CG2 3.84Å; V229-V231 HydrophobicContact CG1-CG2 4.16Å; V231-Y233 HydrophobicContact CG1-CD2 4.34Å; V231-Y233 HydrophobicContact CG1-CE2 3.81Å; V231-I260 HydrophobicContact CG1-CG2 3.76Å; V231-H261 WeakPolarHBondContact CA-O 3.2Å
232A97.9Very high93.7Very high0 Ų037.2 Ų37.20%023%0.227CC..EExtended strand (participates in β ladder)trans-129.5136.716600000109.6H261 L294 F297 F309A232-H261 HydrophobicContact CB-CB 4.42Å; A232-H261 PolarHBondContact N-O 3.44Å; A232-H261 PolarHBondContact O-N 3.14Å; A232-L294 HydrophobicContact CB-CD2 3.89Å; A232-F297 HydrophobicContact CB-CD1 3.84Å; A232-F297 HydrophobicContact CB-CD2 4.04Å; A232-F297 HydrophobicContact CB-CE1 3.71Å; A232-F297 HydrophobicContact CB-CE2 3.92Å; A232-F297 HydrophobicContact CB-CG 4.02Å; A232-F297 HydrophobicContact CB-CZ 3.76Å; A232-F309 HydrophobicContact CB-CE1 4.2Å; A232-F309 HydrophobicContact CB-CE2 4.07Å; A232-F309 HydrophobicContact CB-CZ 3.48Å; A232-F309 VanDerWaalsContact CB-CZ 3.48Å
233Y96.6Very high93.6Very high0 Ų037.1 Ų37.10%022%0.221CC..EExtended strand (participates in β ladder)trans-97.1126.2176.7-63.5-89.1000108.7Q94 C95 D98 I101 V231 T236 A246 P247 F252 I260 Y298Q94-Y233 HydrophobicContact CB-CE2 4.23Å; C95-Y233 VanDerWaalsContact SG-CZ 3.58Å; C95-Y233 PolarHBondContact SG-OH 3.24Å; C95-Y233 VanDerWaalsContact SG-OH 3.34Å; D98-Y233 WeakPolarHBondContact OD1-CE2 3.38Å; D98-Y233 PolarHBondContact OD1-OH 3.46Å; I101-Y233 HydrophobicContact CD1-CE1 4.49Å; V231-Y233 HydrophobicContact CG1-CD2 4.34Å; V231-Y233 HydrophobicContact CG1-CE2 3.81Å; Y233-T236 PolarHBondContact O-OG1 3.34Å; Y233-A246 HydrophobicContact CD2-CB 3.54Å; Y233-A246 HydrophobicContact CE2-CB 3.92Å; Y233-A246 HydrophobicContact CG-CB 4.14Å; Y233-P247 HydrophobicContact CD1-CG 3.75Å; Y233-P247 HydrophobicContact CE1-CG 4.24Å; Y233-P247 HydrophobicContact CG-CG 4.21Å; Y233-F252 HydrophobicContact CE1-CE2 4.22Å; Y233-I260 HydrophobicContact CD1-CD1 4.1Å; Y233-I260 HydrophobicContact CD1-CG1 3.95Å; Y233-I260 HydrophobicContact CE1-CD1 3.88Å; Y233-I260 HydrophobicContact CE1-CG1 4.2Å; Y233-Y298 PolarHBondContact N-OH 3.08Å; Y233-Y298 PolarHBondContact O-OH 3.36Å
234E93.1Very high93.5Very high68 Ų6842.3 Ų42.332%0.31824%0.24SC..THydrogen-bonded Turntrans-72.7153.7174-166.9174.4158.600110.3T236 R259 H261E234-T236 VanDerWaalsContact C-N 3.34Å; E234-R259 HydrophobicContact CB-CB 4.01Å; E234-R259 VanDerWaalsContact CB-O 3.31Å; E234-R259 WeakPolarHBondContact CB-O 3.41Å; E234-R259 PolarHBondContact N-O 3.46Å; E234-R259 IonicContact OE1-NH1 3.95Å; E234-R259 WeakPolarHBondContact OE2-CB 3.4Å; E234-R259 WeakPolarHBondContact OE2-CD 3.2Å; E234-R259 IonicContact OE2-CZ 3.04Å; E234-R259 IonicContact OE2-NE 2.7Å; E234-R259 IonicContact OE2-NH1 2.74Å; E234-R259 PolarHBondContact OE2-NH1 3.39Å; E234-H261 IonicContact OE2-NE2 3.48Å; E234-H261 PolarHBondContact OE2-NE2 3.09Å
235G88.5Confident93.4Very high58 Ų5840.9 Ų40.960%0.59824%0.235SC*.THydrogen-bonded Turntrans82.57178.200000114.7L237G235-L237 VanDerWaalsContact C-N 3.32Å; G235-L237 PolarHBondContact O-N 3.14Å
236T92.1Very high93.3Very high9 Ų941.5 Ų41.56%0.05524%0.24CC..  trans-93.124.5178.9680000113.2Y233 E234 R243 R244 Y298Y233-T236 PolarHBondContact O-OG1 3.34Å; E234-T236 VanDerWaalsContact C-N 3.34Å; T236-R243 CarbonylContact O-C 3.5Å; T236-R243 WeakPolarHBondContact O-CA 3.44Å; T236-R244 PolarHBondContact O-N 2.92Å; T236-Y298 VanDerWaalsContact OG1-CE1 3.25Å; T236-Y298 WeakPolarHBondContact OG1-CE1 3.35Å
237L90.8Very high93.1Very high50 Ų5042 Ų4226%0.26224%0.243SC..BIsolated β-bridgetrans-107.9138169.9-64.9179.6000108.7G235 Q242 R243 R244 Y298G235-L237 VanDerWaalsContact C-N 3.32Å; G235-L237 PolarHBondContact O-N 3.14Å; L237-Q242 CarbonylContact C-O 3.51Å; L237-Q242 WeakPolarHBondContact CA-O 3.42Å; L237-R243 HydrophobicContact CD2-CB 4.24Å; L237-R244 PolarHBondContact O-NE 2.91Å; L237-R244 PolarHBondContact O-NH2 3.1Å; L237-Y298 HydrophobicContact CD2-CD1 3.88Å; L237-Y298 HydrophobicContact CG-CD1 4.27Å
238D87.9Confident92.8Very high50 Ų5044 Ų4427%0.26726%0.256SS..  trans-81.8174.5168.771.422.8000112.9S240 G241 Q242 R244D238-S240 PolarHBondContact O-N 3.25Å; D238-S240 VanDerWaalsContact O-N 3.12Å; D238-S240 VanDerWaalsContact OD1-CA 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.46Å; D238-S240 PolarHBondContact OD1-N 3.25Å; D238-S240 PolarHBondContact OD1-OG 2.95Å; D238-S240 PolarHBondContact OD2-OG 3.1Å; D238-G241 WeakPolarHBondContact O-CA 3.45Å; D238-G241 PolarHBondContact O-N 3.15Å; D238-G241 PolarHBondContact OD1-N 2.89Å; D238-G241 VanDerWaalsContact OD1-N 3.12Å; D238-Q242 PolarHBondContact N-O 3.07Å; D238-Q242 PolarHBondContact OD1-N 3.24Å; D238-Q242 WeakPolarHBondContact OD2-CB 3.39Å; D238-R244 HydrophobicContact CB-CG 4.15Å
239D86.6Confident92.5Very high174 Ų17446.9 Ų46.993%0.9327%0.271SS*.THydrogen-bonded Turntrans-62.4-18.5-178.7-56.9-25.3000112.3
240S86.1Confident92.2Very high81 Ų8149.7 Ų49.757%0.56629%0.288SS*.THydrogen-bonded Turntrans-90.21.4173.778.10000113.5D238 Q242D238-S240 PolarHBondContact O-N 3.25Å; D238-S240 VanDerWaalsContact O-N 3.12Å; D238-S240 VanDerWaalsContact OD1-CA 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.46Å; D238-S240 PolarHBondContact OD1-N 3.25Å; D238-S240 PolarHBondContact OD1-OG 2.95Å; D238-S240 PolarHBondContact OD2-OG 3.1Å; S240-Q242 VanDerWaalsContact C-N 3.3Å; S240-Q242 PolarHBondContact OG-NE2 2.7Å; S240-Q242 VanDerWaalsContact OG-NE2 3.15Å
241G84.7Confident92Very high48 Ų4853.5 Ų53.550%0.49531%0.306SS..SBendtrans77.510.4-176.400000114.1D238D238-G241 WeakPolarHBondContact O-CA 3.45Å; D238-G241 PolarHBondContact O-N 3.15Å; D238-G241 PolarHBondContact OD1-N 2.89Å; D238-G241 VanDerWaalsContact OD1-N 3.12Å
242Q87.6Confident91.8Very high132 Ų13253.5 Ų53.562%0.61731%0.306SS*.PPolyproline II helixtrans-85.4144.1177.2-69.6179.36200111.5L237 D238 S240 R244L237-Q242 CarbonylContact C-O 3.51Å; L237-Q242 WeakPolarHBondContact CA-O 3.42Å; D238-Q242 PolarHBondContact N-O 3.07Å; D238-Q242 PolarHBondContact OD1-N 3.24Å; D238-Q242 WeakPolarHBondContact OD2-CB 3.39Å; S240-Q242 VanDerWaalsContact C-N 3.3Å; S240-Q242 PolarHBondContact OG-NE2 2.7Å; S240-Q242 VanDerWaalsContact OG-NE2 3.15Å; Q242-R244 PolarHBondContact O-N 3.13Å
243R92.2Very high91.7Very high33 Ų3353.9 Ų53.913%0.12531%0.308CS..BIsolated β-bridgetrans-74.9123.5-179.1-171.6176.2172-149.33.1111.6P179 H203 T236 L237 Y298P179-R243 VanDerWaalsContact CB-O 3.26Å; P179-R243 WeakPolarHBondContact CB-O 3.28Å; P179-R243 HydrophobicContact CG-CB 4.33Å; P179-R243 HydrophobicContact CG-CG 3.99Å; P179-R243 WeakPolarHBondContact CG-O 3.37Å; H203-R243 PolarHBondContact ND1-NH1 3.17Å; H203-R243 PolarHBondContact O-NH1 3.29Å; T236-R243 CarbonylContact O-C 3.5Å; T236-R243 WeakPolarHBondContact O-CA 3.44Å; L237-R243 HydrophobicContact CD2-CB 4.24Å; R243-Y298 HydrophobicContact CG-CD1 4.48Å; R243-Y298 HydrophobicContact CG-CE1 4.49Å; R243-Y298 VanDerWaalsContact NE-CE2 3.3Å
244R93.9Very high91.5Very high117 Ų11754.1 Ų54.144%0.44231%0.309SS..PPolyproline II helixtrans-88.1162.5170.4-69-171.1-98.3-177.4-6111.3T236 L237 D238 Q242T236-R244 PolarHBondContact O-N 2.92Å; L237-R244 PolarHBondContact O-NE 2.91Å; L237-R244 PolarHBondContact O-NH2 3.1Å; D238-R244 HydrophobicContact CB-CG 4.15Å; Q242-R244 PolarHBondContact O-N 3.13Å
245P94.8Very high91.5Very high38 Ų3855.5 Ų55.525%0.24732%0.315CS..PPolyproline II helixtrans-54.7145.8172.8-2332.8000112.2N178 E180N178-P245 WeakPolarHBondContact OD1-CG 3.45Å; E180-P245 HydrophobicContact CG-CG 3.78Å; E180-P245 WeakPolarHBondContact OE1-CD 3.18Å; E180-P245 WeakPolarHBondContact OE1-CG 3.45Å
246A94.8Very high91.7Very high13 Ų1358.2 Ų58.211%0.10731%0.311CS..PPolyproline II helixtrans-63.6150.1168.900000110.5Q94 C95 Y233 S248Q94-A246 HydrophobicContact CB-CB 3.69Å; C95-A246 HydrophobicContact CB-CB 3.83Å; Y233-A246 HydrophobicContact CD2-CB 3.54Å; Y233-A246 HydrophobicContact CE2-CB 3.92Å; Y233-A246 HydrophobicContact CG-CB 4.14Å; A246-S248 PolarHBondContact O-N 3.07Å
247P93.9Very high91.7Very high11 Ų1158 Ų587%0.07131%0.31CS..PPolyproline II helixtrans-59.7134.3-172.524.6-35.5000111.7C95 Y233 E251 F252 C257C95-P247 WeakPolarHBondContact CB-O 3.25Å; C95-P247 PolarHBondContact SG-O 2.86Å; Y233-P247 HydrophobicContact CD1-CG 3.75Å; Y233-P247 HydrophobicContact CE1-CG 4.24Å; Y233-P247 HydrophobicContact CG-CG 4.21Å; P247-E251 HydrophobicContact CB-CB 4.18Å; P247-F252 HydrophobicContact CG-CD2 4.31Å; P247-C257 HydrophobicContact CB-CB 4.46Å; P247-C257 HydrophobicContact CG-CB 3.94Å
248S93.6Very high91.8Very high40 Ų4059.2 Ų59.228%0.2832%0.321SS..PPolyproline II helixtrans-63.3164.7165.269.50000110.9A246 T250 E251 F252A246-S248 PolarHBondContact O-N 3.07Å; S248-T250 PolarHBondContact O-N 3.42Å; S248-E251 WeakPolarHBondContact CB-OE2 3.36Å; S248-E251 PolarHBondContact N-OE2 2.82Å; S248-E251 PolarHBondContact O-N 2.92Å; S248-E251 VanDerWaalsContact OG-CD 3.25Å; S248-E251 WeakPolarHBondContact OG-CG 3.38Å; S248-E251 PolarHBondContact OG-N 3.35Å; S248-E251 PolarHBondContact OG-OE2 2.93Å; S248-F252 VanDerWaalsContact O-CB 3.29Å; S248-F252 WeakPolarHBondContact O-CB 3.46Å; S248-F252 PolarHBondContact O-N 2.99Å
249M92.1Very high92.2Very high62 Ų6260.6 Ų60.631%0.30532%0.323SS..Hα-helixtrans-57.2-33.9175-78.2172.47200112.8F66 T96 W99 L253F66-M249 HydrophobicContact CE1-CG 4.5Å; F66-M249 HydrophobicContact CE2-CE 4.5Å; F66-M249 HydrophobicContact CZ-CE 3.86Å; F66-M249 HydrophobicContact CZ-CG 4.35Å; T96-M249 WeakPolarHBondContact OG1-CG 3.42Å; T96-M249 PolarHBondContact OG1-N 2.84Å; W99-M249 HydrophobicContact CZ2-CE 4.23Å; M249-L253 WeakPolarHBondContact O-CG 3.29Å; M249-L253 PolarHBondContact O-N 3.48Å; M249-L253 VanDerWaalsContact O-N 3.08Å
250T92.8Very high92.8Very high60 Ų6052.3 Ų52.337%0.36828%0.278SS..Hα-helixtrans-68.4-52.4179.1-63.10000111Y14 S248 F252 L253 C254Y14-T250 HydrophobicContact CD1-CG2 3.39Å; Y14-T250 HydrophobicContact CD2-CG2 4.23Å; Y14-T250 HydrophobicContact CE1-CG2 3.66Å; Y14-T250 HydrophobicContact CE2-CG2 4.48Å; Y14-T250 HydrophobicContact CG-CG2 3.68Å; S248-T250 PolarHBondContact O-N 3.42Å; T250-F252 VanDerWaalsContact C-N 3.26Å; T250-F252 PolarHBondContact O-N 3.49Å; T250-L253 PolarHBondContact O-N 2.92Å; T250-L253 VanDerWaalsContact O-N 3.16Å; T250-C254 WeakPolarHBondContact O-CB 3.42Å; T250-C254 PolarHBondContact O-N 3.5Å; T250-C254 PolarHBondContact O-SG 3.02Å; T250-C254 VanDerWaalsContact O-SG 3.38Å
251E93.4Very high93.4Very high79 Ų7948.7 Ų48.737%0.36925%0.253SS..Hα-helixtrans-59.5-40.7177.8-67.4159.1153.300110.6P247 S248 L253 C254 K255 E256P247-E251 HydrophobicContact CB-CB 4.18Å; S248-E251 WeakPolarHBondContact CB-OE2 3.36Å; S248-E251 PolarHBondContact N-OE2 2.82Å; S248-E251 PolarHBondContact O-N 2.92Å; S248-E251 VanDerWaalsContact OG-CD 3.25Å; S248-E251 WeakPolarHBondContact OG-CG 3.38Å; S248-E251 PolarHBondContact OG-N 3.35Å; S248-E251 PolarHBondContact OG-OE2 2.93Å; E251-L253 PolarHBondContact O-N 3.45Å; E251-C254 CarbonylContact O-C 3.6Å; E251-C254 WeakPolarHBondContact O-CA 3.36Å; E251-C254 WeakPolarHBondContact O-CB 3.35Å; E251-C254 PolarHBondContact O-N 3.21Å; E251-C254 VanDerWaalsContact O-N 3.14Å; E251-K255 PolarHBondContact O-N 3.4Å; E251-E256 HydrophobicContact CB-CB 4.15Å; E251-E256 WeakPolarHBondContact CG-OE2 3.21Å; E251-E256 WeakPolarHBondContact O-CB 3.45Å; E251-E256 PolarHBondContact O-N 2.63Å
252F94.8Very high94Very high1 Ų146.4 Ų46.40%0.00423%0.229CC..Hα-helixtrans-56.5-51.6174.3-158.2-62.3000111.7F66 T70 V72 A97 M104 Y233 P247 S248 T250 C254 K255 C257 I260F66-F252 HydrophobicContact CB-CE1 4.48Å; F66-F252 AromaticContact CD1-CD1 3.57Å; F66-F252 HydrophobicContact CD1-CD1 3.57Å; F66-F252 AromaticContact CD1-CE1 3.89Å; F66-F252 HydrophobicContact CD1-CE1 3.89Å; F66-F252 HydrophobicContact CD1-CG 4.1Å; F66-F252 HydrophobicContact CE1-CB 4.35Å; F66-F252 HydrophobicContact CE1-CD1 4.1Å; F66-F252 HydrophobicContact CE1-CG 4.25Å; F66-F252 WeakPolarHBondContact O-CE1 3.5Å; T70-F252 HydrophobicContact CG2-CD1 4.01Å; T70-F252 HydrophobicContact CG2-CE1 4.17Å; T70-F252 VanDerWaalsContact CG2-O 3.31Å; T70-F252 WeakPolarHBondContact CG2-O 3.37Å; V72-F252 HydrophobicContact CB-CE1 4.35Å; V72-F252 HydrophobicContact CB-CZ 4.35Å; V72-F252 HydrophobicContact CG1-CE1 3.97Å; V72-F252 HydrophobicContact CG1-CZ 3.95Å; V72-F252 HydrophobicContact CG2-CZ 4.26Å; A97-F252 HydrophobicContact CB-CD2 3.84Å; A97-F252 HydrophobicContact CB-CE2 4.29Å; M104-F252 HydrophobicContact CE-CZ 4.23Å; Y233-F252 HydrophobicContact CE1-CE2 4.22Å; P247-F252 HydrophobicContact CG-CD2 4.31Å; S248-F252 VanDerWaalsContact O-CB 3.29Å; S248-F252 WeakPolarHBondContact O-CB 3.46Å; S248-F252 PolarHBondContact O-N 2.99Å; T250-F252 VanDerWaalsContact C-N 3.26Å; T250-F252 PolarHBondContact O-N 3.49Å; F252-C254 PolarHBondContact O-N 2.96Å; F252-K255 WeakPolarHBondContact O-CA 3.45Å; F252-K255 PolarHBondContact O-N 3.07Å; F252-C257 HydrophobicContact CD2-CB 4.36Å; F252-C257 HydrophobicContact CE2-CB 4.5Å; F252-I260 HydrophobicContact CE2-CD1 3.49Å; F252-I260 VanDerWaalsContact CE2-CD1 3.49Å; F252-I260 HydrophobicContact CZ-CD1 3.58Å
253L94.8Very high94.5Very high7 Ų741.7 Ų41.74%0.03721%0.207CC..Hα-helixtrans-70-20.8178.7-70.1172.5000113.4P17 M21 F65 F66 T70 M249 T250 E251 K255P17-L253 HydrophobicContact CB-CD1 4.47Å; P17-L253 HydrophobicContact CB-CD2 4.03Å; P17-L253 HydrophobicContact CG-CB 4.12Å; P17-L253 HydrophobicContact CG-CD1 4.2Å; P17-L253 HydrophobicContact CG-CD2 4.06Å; P17-L253 HydrophobicContact CG-CG 4.36Å; M21-L253 HydrophobicContact CE-CD1 3.83Å; M21-L253 HydrophobicContact CE-CD2 4.35Å; F65-L253 HydrophobicContact CB-CD2 4.28Å; F66-L253 HydrophobicContact CD1-CD2 4.13Å; F66-L253 HydrophobicContact CD2-CD2 4.18Å; F66-L253 HydrophobicContact CE1-CD1 4.48Å; F66-L253 HydrophobicContact CE1-CD2 3.98Å; F66-L253 HydrophobicContact CE1-CG 3.94Å; F66-L253 HydrophobicContact CE2-CD1 4.42Å; F66-L253 HydrophobicContact CE2-CD2 4.04Å; F66-L253 HydrophobicContact CE2-CG 4.45Å; F66-L253 HydrophobicContact CG-CD2 4.23Å; F66-L253 HydrophobicContact CZ-CD1 3.96Å; F66-L253 HydrophobicContact CZ-CD2 3.93Å; F66-L253 HydrophobicContact CZ-CG 3.89Å; T70-L253 HydrophobicContact CG2-CD2 4.46Å; M249-L253 WeakPolarHBondContact O-CG 3.29Å; M249-L253 PolarHBondContact O-N 3.48Å; M249-L253 VanDerWaalsContact O-N 3.08Å; T250-L253 PolarHBondContact O-N 2.92Å; T250-L253 VanDerWaalsContact O-N 3.16Å; E251-L253 PolarHBondContact O-N 3.45Å; L253-K255 PolarHBondContact O-N 2.87Å
254C94.2Very high94.8Very high5 Ų540.4 Ų40.43%0.03420%0.202CC..THydrogen-bonded Turntrans-78.30.8168.7-720000113.4T250 E251 F252 E256T250-C254 WeakPolarHBondContact O-CB 3.42Å; T250-C254 PolarHBondContact O-N 3.5Å; T250-C254 PolarHBondContact O-SG 3.02Å; T250-C254 VanDerWaalsContact O-SG 3.38Å; E251-C254 CarbonylContact O-C 3.6Å; E251-C254 WeakPolarHBondContact O-CA 3.36Å; E251-C254 WeakPolarHBondContact O-CB 3.35Å; E251-C254 PolarHBondContact O-N 3.21Å; E251-C254 VanDerWaalsContact O-N 3.14Å; F252-C254 PolarHBondContact O-N 2.96Å; C254-E256 HydrophobicContact CB-CG 4.11Å
255K93.2Very high95Very high98 Ų9837.2 Ų37.243%0.42619%0.194SC..THydrogen-bonded Turntrans70.129.3-179.8-43.3-172172-151.60113.9Y69 T70 E251 F252 L253 C257Y69-K255 WeakPolarHBondContact O-CE 3.27Å; Y69-K255 PolarHBondContact O-NZ 3.49Å; T70-K255 WeakPolarHBondContact O-CD 3.49Å; E251-K255 PolarHBondContact O-N 3.4Å; F252-K255 WeakPolarHBondContact O-CA 3.45Å; F252-K255 PolarHBondContact O-N 3.07Å; L253-K255 PolarHBondContact O-N 2.87Å; K255-C257 PolarHBondContact O-N 3.36Å
256E91.2Very high95.2Very high114 Ų11439.3 Ų39.353%0.53320%0.197SC..  trans-85.88.4179.7-58.8-178.1-164.400113.1E251 C254E251-E256 HydrophobicContact CB-CB 4.15Å; E251-E256 WeakPolarHBondContact CG-OE2 3.21Å; E251-E256 WeakPolarHBondContact O-CB 3.45Å; E251-E256 PolarHBondContact O-N 2.63Å; C254-E256 HydrophobicContact CB-CG 4.11Å
257C92.6Very high95.3Very high4 Ų439.7 Ų39.73%0.02720%0.198CC..  trans-121.9102171.8-1720000108.9V72 P247 F252 K255V72-C257 WeakPolarHBondContact CG2-O 3.31Å; P247-C257 HydrophobicContact CB-CB 4.46Å; P247-C257 HydrophobicContact CG-CB 3.94Å; F252-C257 HydrophobicContact CD2-CB 4.36Å; F252-C257 HydrophobicContact CE2-CB 4.5Å; K255-C257 PolarHBondContact O-N 3.36Å
258P92.6Very high95.5Very high76 Ų7642.2 Ų42.249%0.49421%0.211SC..  trans-73.3-37.2-17627.3-33000112.1E73E73-P258 PolarHBondContact N-O 3.02Å
259R97.1Very high95.7Very high79 Ų7941 Ų4130%0.29820%0.201SC..EExtended strand (participates in β ladder)trans-148.1147.6-175-174.1-176.5-68.3136.7-7.2111.8E73 V75 E234 H261E73-R259 HydrophobicContact CB-CB 4.26Å; E73-R259 HydrophobicContact CB-CG 4.1Å; E73-R259 HydrophobicContact CG-CG 4.46Å; E73-R259 CarbonylContact O-C 3.57Å; E73-R259 VanDerWaalsContact O-CA 3.24Å; E73-R259 WeakPolarHBondContact O-CA 3.38Å; E73-R259 WeakPolarHBondContact O-CG 3.39Å; E73-R259 IonicContact OE1-CZ 3.56Å; E73-R259 IonicContact OE1-NE 3.41Å; E73-R259 PolarHBondContact OE1-NE 3.33Å; E73-R259 IonicContact OE1-NH2 3.59Å; E73-R259 PolarHBondContact OE1-NH2 3.46Å; V75-R259 HydrophobicContact CG2-CG 3.84Å; E234-R259 HydrophobicContact CB-CB 4.01Å; E234-R259 VanDerWaalsContact CB-O 3.31Å; E234-R259 WeakPolarHBondContact CB-O 3.41Å; E234-R259 PolarHBondContact N-O 3.46Å; E234-R259 IonicContact OE1-NH1 3.95Å; E234-R259 WeakPolarHBondContact OE2-CB 3.4Å; E234-R259 WeakPolarHBondContact OE2-CD 3.2Å; E234-R259 IonicContact OE2-CZ 3.04Å; E234-R259 IonicContact OE2-NE 2.7Å; E234-R259 IonicContact OE2-NH1 2.74Å; E234-R259 PolarHBondContact OE2-NH1 3.39Å; R259-H261 WeakPolarHBondContact CD-NE2 3.45Å
260I98.1Very high95.9Very high0 Ų047.1 Ų47.10%023%0.226CC..EExtended strand (participates in β ladder)trans-124.3128.1173.6-57.1174.7000108.4V72 E73 I74 V75 I101 V231 Y233 F252 I262V72-I260 HydrophobicContact CG2-CD1 3.86Å; V72-I260 HydrophobicContact CG2-CG1 3.78Å; E73-I260 PolarHBondContact O-N 2.93Å; I74-I260 HydrophobicContact CD1-CB 4.02Å; I74-I260 HydrophobicContact CD1-CD1 4.03Å; I74-I260 HydrophobicContact CD1-CG1 4.35Å; V75-I260 PolarHBondContact N-O 3.09Å; I101-I260 HydrophobicContact CD1-CD1 3.5Å; I101-I260 HydrophobicContact CD1-CG2 4.4Å; V231-I260 HydrophobicContact CG1-CG2 3.76Å; Y233-I260 HydrophobicContact CD1-CD1 4.1Å; Y233-I260 HydrophobicContact CD1-CG1 3.95Å; Y233-I260 HydrophobicContact CE1-CD1 3.88Å; Y233-I260 HydrophobicContact CE1-CG1 4.2Å; F252-I260 HydrophobicContact CE2-CD1 3.49Å; F252-I260 VanDerWaalsContact CE2-CD1 3.49Å; F252-I260 HydrophobicContact CZ-CD1 3.58Å; I260-I262 HydrophobicContact CG2-CD1 4.47Å; I260-I262 HydrophobicContact CG2-CG1 3.97Å
261H98.4Very high96Very high6 Ų646.9 Ų46.93%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-98.5131.8174.2-62.9-106.1000108.7V75 Y77 V231 A232 E234 R259 F297 G307 F309V75-H261 CarbonylContact O-C 3.56Å; V75-H261 WeakPolarHBondContact O-CA 3.33Å; Y77-H261 HydrophobicContact CE2-CB 3.89Å; Y77-H261 AromaticContact CE2-ND1 3.46Å; Y77-H261 WeakPolarHBondContact CE2-ND1 3.47Å; Y77-H261 AromaticContact CZ-ND1 3.61Å; Y77-H261 PolarHBondContact OH-CE1 3.07Å; Y77-H261 PolarHBondContact OH-ND1 2.85Å; V231-H261 WeakPolarHBondContact CA-O 3.2Å; A232-H261 HydrophobicContact CB-CB 4.42Å; A232-H261 PolarHBondContact N-O 3.44Å; A232-H261 PolarHBondContact O-N 3.14Å; E234-H261 IonicContact OE2-NE2 3.48Å; E234-H261 PolarHBondContact OE2-NE2 3.09Å; R259-H261 WeakPolarHBondContact CD-NE2 3.45Å; H261-F297 HydrophobicContact CB-CE2 3.74Å; H261-F297 HydrophobicContact CB-CZ 4.29Å; H261-F297 AromaticContact CD2-CE2 3.62Å; H261-F297 AromaticContact CD2-CZ 3.55Å; H261-F297 AromaticContact CG-CE2 3.5Å; H261-F297 AromaticContact CG-CZ 3.93Å; H261-F297 AromaticContact ND1-CE2 3.92Å; H261-G307 PolarHBondContact CE1-O 3.25Å; H261-F309 HydrophobicContact CB-CD2 3.91Å; H261-F309 HydrophobicContact CB-CE2 3.85Å; H261-F309 WeakPolarHBondContact O-CE2 3.38Å
262I98.7Very high96.2Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-129.3111-177.5-55.3177.9000108I74 V75 I76 Y77 I101 L105 V229 T230 I260I74-I262 HydrophobicContact CG2-CD1 3.67Å; V75-I262 PolarHBondContact O-N 3.11Å; I76-I262 CarbonylContact C-O 3.54Å; I76-I262 WeakPolarHBondContact CA-O 3.49Å; Y77-I262 PolarHBondContact N-O 3.33Å; I101-I262 HydrophobicContact CG2-CD1 3.49Å; I101-I262 VanDerWaalsContact CG2-CD1 3.49Å; I101-I262 HydrophobicContact CG2-CG1 4.08Å; L105-I262 HydrophobicContact CD1-CG2 4.03Å; L105-I262 HydrophobicContact CD2-CD1 4.28Å; L105-I262 HydrophobicContact CD2-CG2 4.29Å; L105-I262 HydrophobicContact CG-CD1 4.41Å; V229-I262 HydrophobicContact CG1-CG2 3.52Å; T230-I262 CarbonylContact O-C 3.6Å; T230-I262 WeakPolarHBondContact O-CA 3.29Å; I260-I262 HydrophobicContact CG2-CD1 4.47Å; I260-I262 HydrophobicContact CG2-CG1 3.97Å
263H98.7Very high96.3Very high32 Ų3245 Ų4515%0.14823%0.229CC..EExtended strand (participates in β ladder)trans-85.9124165.6-179.5-79.6000109V229 T230 M293 F309V229-H263 CarbonylContact C-O 3.47Å; V229-H263 VanDerWaalsContact CA-O 3.31Å; V229-H263 WeakPolarHBondContact CA-O 3.43Å; T230-H263 PolarHBondContact N-O 2.82Å; T230-H263 PolarHBondContact O-N 3.38Å; H263-M293 HydrophobicContact CB-SD 4.2Å; H263-M293 VanDerWaalsContact CD2-SD 3.6Å; H263-F309 HydrophobicContact CB-CB 4.08Å; H263-F309 HydrophobicContact CB-CD2 3.59Å; H263-F309 HydrophobicContact CB-CE2 4.06Å; H263-F309 HydrophobicContact CB-CG 3.86Å
264F98.5Very high96.4Very high6 Ų647.8 Ų47.83%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-117.1116.4-176.2-175.7-82.9000109.7I76 Y77 D79 I80 L105 Y227 V229 R266I76-F264 HydrophobicContact CG2-CB 4.33Å; Y77-F264 PolarHBondContact O-N 3.46Å; D79-F264 WeakPolarHBondContact O-CD1 3.02Å; D79-F264 WeakPolarHBondContact O-CE1 3.44Å; I80-F264 HydrophobicContact CG1-CD1 4.27Å; I80-F264 HydrophobicContact CG1-CD2 4.15Å; I80-F264 HydrophobicContact CG1-CE1 4.48Å; I80-F264 HydrophobicContact CG1-CE2 4.35Å; I80-F264 HydrophobicContact CG1-CG 4.11Å; L105-F264 HydrophobicContact CD1-CD2 4.42Å; L105-F264 HydrophobicContact CD2-CD2 4.47Å; Y227-F264 HydrophobicContact CD1-CE1 4.33Å; Y227-F264 HydrophobicContact CD1-CE2 4.34Å; Y227-F264 AromaticContact CD1-CZ 3.61Å; Y227-F264 HydrophobicContact CD1-CZ 3.61Å; Y227-F264 AromaticContact CD2-CE2 3.72Å; Y227-F264 HydrophobicContact CD2-CE2 3.72Å; Y227-F264 AromaticContact CD2-CZ 3.66Å; Y227-F264 HydrophobicContact CD2-CZ 3.66Å; Y227-F264 HydrophobicContact CE1-CE1 4.48Å; Y227-F264 AromaticContact CE1-CZ 3.8Å; Y227-F264 HydrophobicContact CE1-CZ 3.8Å; Y227-F264 HydrophobicContact CE2-CE2 4.19Å; Y227-F264 AromaticContact CE2-CZ 3.84Å; Y227-F264 HydrophobicContact CE2-CZ 3.84Å; Y227-F264 AromaticContact CG-CE2 3.78Å; Y227-F264 HydrophobicContact CG-CE2 3.78Å; Y227-F264 AromaticContact CG-CZ 3.52Å; Y227-F264 HydrophobicContact CG-CZ 3.52Å; Y227-F264 AromaticContact CZ-CZ 3.89Å; V229-F264 HydrophobicContact CG2-CD2 3.75Å; V229-F264 HydrophobicContact CG2-CE2 4.18Å; F264-R266 HydrophobicContact CE1-CB 4.12Å
265D98Very high96.5Very high51 Ų5151.9 Ų51.927%0.27326%0.263SS..EExtended strand (participates in β ladder)trans-119.7124.3172.4-172.815.5000110.5D228 R286D228-D265 PolarHBondContact N-O 2.71Å; D228-D265 PolarHBondContact O-N 3.18Å; D265-R286 IonicContact OD2-CZ 2.97Å; D265-R286 IonicContact OD2-NH1 3.19Å; D265-R286 PolarHBondContact OD2-NH1 3.36Å; D265-R286 IonicContact OD2-NH2 3.56Å; D265-R286 PolarHBondContact OD2-NH2 2.74Å
266R97.8Very high96.6Very high82 Ų8250.4 Ų50.431%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-93.8111.7175.5178.4-174-177.3-75.41.2109.2E85 A225 Y227 F264 D268E85-R266 IonicContact OE1-CZ 2.84Å; E85-R266 IonicContact OE1-NE 3.69Å; E85-R266 PolarHBondContact OE1-NE 3.17Å; E85-R266 IonicContact OE1-NH2 3.2Å; E85-R266 PolarHBondContact OE1-NH2 2.9Å; E85-R266 IonicContact OE2-CZ 3.37Å; E85-R266 IonicContact OE2-NE 2.65Å; E85-R266 PolarHBondContact OE2-NE 3.31Å; E85-R266 IonicContact OE2-NH2 3.84Å; E85-R266 PolarHBondContact OE2-NH2 2.97Å; A225-R266 HydrophobicContact CB-CG 3.79Å; Y227-R266 HydrophobicContact CD1-CB 4.31Å; Y227-R266 HydrophobicContact CD1-CG 4.11Å; Y227-R266 HydrophobicContact CE1-CB 4.37Å; Y227-R266 HydrophobicContact CE1-CG 3.89Å; F264-R266 HydrophobicContact CE1-CB 4.12Å; R266-D268 IonicContact NH1-OD2 2.72Å
267V98Very high96.8Very high21 Ų2148.9 Ų48.913%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-99115.8174.8-170.40000109.5A225 V226 D228 I269 I272 W282A225-V267 CarbonylContact C-O 3.57Å; A225-V267 VanDerWaalsContact CA-O 3.28Å; A225-V267 WeakPolarHBondContact CA-O 3.19Å; A225-V267 WeakPolarHBondContact CB-O 3.26Å; V226-V267 PolarHBondContact N-O 3.28Å; V226-V267 PolarHBondContact O-N 3.36Å; D228-V267 HydrophobicContact CB-CG2 4.47Å; V267-I269 PolarHBondContact O-N 3.44Å; V267-I272 HydrophobicContact CB-CD1 4.45Å; V267-I272 HydrophobicContact CG1-CD1 4.14Å; V267-I272 HydrophobicContact CG1-CG1 3.86Å; V267-W282 HydrophobicContact CB-CZ2 4.43Å; V267-W282 HydrophobicContact CG1-CZ2 4.08Å; V267-W282 HydrophobicContact CG2-CZ2 4.39Å
268D97.8Very high97Very high64 Ų6452.8 Ų52.834%0.34228%0.276SS..EExtended strand (participates in β ladder)trans-58.1137.1176.5-166.6-79.9000111R266 K270 G271R266-D268 IonicContact NH1-OD2 2.72Å; D268-K270 PolarHBondContact O-N 3.27Å; D268-K270 VanDerWaalsContact O-N 3.12Å; D268-K270 VanDerWaalsContact OD1-CB 3.26Å; D268-K270 WeakPolarHBondContact OD1-CB 3.35Å; D268-K270 WeakPolarHBondContact OD1-CG 3.48Å; D268-K270 PolarHBondContact OD1-N 3.01Å; D268-G271 PolarHBondContact O-N 3.48Å
269I97.4Very high97.3Very high15 Ų1549.2 Ų49.28%0.07725%0.253CS..G310 helixtrans-56.7-32.6-177.1-168.160000112.3V216 L223 D224 V267 G271 I272V216-I269 HydrophobicContact CG1-CD1 4.17Å; L223-I269 HydrophobicContact CB-CB 4.43Å; L223-I269 HydrophobicContact CB-CD1 3.95Å; L223-I269 HydrophobicContact CB-CG1 3.95Å; L223-I269 HydrophobicContact CD1-CD1 3.88Å; L223-I269 WeakPolarHBondContact O-CG2 3.31Å; D224-I269 PolarHBondContact O-N 2.86Å; V267-I269 PolarHBondContact O-N 3.44Å; I269-G271 PolarHBondContact O-N 2.76Å; I269-I272 HydrophobicContact CD1-CD1 4.26Å; I269-I272 PolarHBondContact O-N 3.22Å; I269-I272 VanDerWaalsContact O-N 3.11Å
270K96.3Very high97.3Very high190 Ų19048.6 Ų48.683%0.82625%0.251SS*.G310 helixtrans-66.9-21.7180-61.8173.3-177.5172.80112.7D268 I272D268-K270 PolarHBondContact O-N 3.27Å; D268-K270 VanDerWaalsContact O-N 3.12Å; D268-K270 VanDerWaalsContact OD1-CB 3.26Å; D268-K270 WeakPolarHBondContact OD1-CB 3.35Å; D268-K270 WeakPolarHBondContact OD1-CG 3.48Å; D268-K270 PolarHBondContact OD1-N 3.01Å; K270-I272 VanDerWaalsContact C-N 3.33Å
271G94.8Very high97.2Very high54 Ų5456.4 Ų56.456%0.55728%0.28SS*.G310 helixtrans-85.6-2177.100000114D268 I269D268-G271 PolarHBondContact O-N 3.48Å; I269-G271 PolarHBondContact O-N 2.76Å
272I97.6Very high97.2Very high8 Ų858 Ų584%0.04129%0.286CS..SBendtrans-101.7121.7-173.2-55.9-178000109.8V216 V226 V267 I269 K270 F279 W282V216-I272 HydrophobicContact CG1-CG2 4.06Å; V226-I272 HydrophobicContact CB-CD1 3.52Å; V226-I272 HydrophobicContact CG2-CD1 3.17Å; V267-I272 HydrophobicContact CB-CD1 4.45Å; V267-I272 HydrophobicContact CG1-CD1 4.14Å; V267-I272 HydrophobicContact CG1-CG1 3.86Å; I269-I272 HydrophobicContact CD1-CD1 4.26Å; I269-I272 PolarHBondContact O-N 3.22Å; I269-I272 VanDerWaalsContact O-N 3.11Å; K270-I272 VanDerWaalsContact C-N 3.33Å; I272-F279 HydrophobicContact CG2-CD2 3.85Å; I272-F279 HydrophobicContact CG2-CE2 3.75Å; I272-W282 HydrophobicContact CD1-CH2 4.04Å; I272-W282 HydrophobicContact CD1-CZ2 4.05Å; I272-W282 HydrophobicContact CG1-CH2 4.4Å; I272-W282 HydrophobicContact CG1-CZ2 4.03Å; I272-W282 HydrophobicContact CG2-CD2 4.45Å; I272-W282 HydrophobicContact CG2-CE3 4.3Å; I272-W282 HydrophobicContact CG2-CH2 4.34Å; I272-W282 HydrophobicContact CG2-CZ2 4.47Å; I272-W282 HydrophobicContact CG2-CZ3 4.23Å
273P97.3Very high97.1Very high33 Ų3358 Ų5821%0.21429%0.286CS..  trans-69.5137.4-178.627.5-34000111.6L278 F279 W282P273-L278 HydrophobicContact CB-CB 3.62Å; P273-L278 HydrophobicContact CB-CD1 4.5Å; P273-L278 HydrophobicContact CG-CB 4.05Å; P273-F279 HydrophobicContact CG-CB 4.45Å; P273-F279 WeakPolarHBondContact O-CB 3.44Å; P273-F279 VanDerWaalsContact O-CD2 3.27Å; P273-F279 WeakPolarHBondContact O-CD2 3.48Å; P273-W282 HydrophobicContact CG-CB 3.87Å; P273-W282 HydrophobicContact CG-CG 4.27Å
274L96Very high97.1Very high66 Ų6657.6 Ų57.635%0.34628%0.284SS..  trans-91.8-21.6176.3-61.6-179.4000113.2H213 V216 N220H213-L274 PolarHBondContact NE2-O 3.1Å; V216-L274 HydrophobicContact CG1-CD2 3.78Å; N220-L274 HydrophobicContact CB-CD2 4.47Å
275E97.2Very high97.1Very high90 Ų9063.8 Ų63.842%0.42131%0.311SS..SBendtrans-65.8130.2176.8-167.1-73.1134.100109.6E277 L278 F279E275-E277 PolarHBondContact O-N 3.02Å; E275-E277 PolarHBondContact OE1-N 3.21Å; E275-E277 WeakPolarHBondContact OE2-CA 3.31Å; E275-E277 WeakPolarHBondContact OE2-CB 3.42Å; E275-E277 PolarHBondContact OE2-N 3.43Å; E275-L278 HydrophobicContact CB-CB 4.34Å; E275-L278 HydrophobicContact CB-CD1 4.16Å; E275-L278 HydrophobicContact CB-CG 4.34Å; E275-L278 PolarHBondContact O-N 3.31Å; E275-L278 WeakPolarHBondContact OE2-CG 3.45Å; E275-L278 PolarHBondContact OE2-N 3.32Å; E275-F279 WeakPolarHBondContact O-CB 3.38Å; E275-F279 PolarHBondContact O-N 2.89Å
276P95.8Very high97.1Very high68 Ų6862.4 Ų62.444%0.44230%0.302SS..Hα-helixtrans-51.9-45.9-172-30.233.7000116R280P276-R280 WeakPolarHBondContact O-CB 3.46Å; P276-R280 PolarHBondContact O-N 2.85Å
277E95.2Very high97.1Very high81 Ų8158.5 Ų58.538%0.37929%0.287SS..Hα-helixtrans-74.8-37.3-177.2-72.4-56132.600112.5E275 R280 R281E275-E277 PolarHBondContact O-N 3.02Å; E275-E277 PolarHBondContact OE1-N 3.21Å; E275-E277 WeakPolarHBondContact OE2-CA 3.31Å; E275-E277 WeakPolarHBondContact OE2-CB 3.42Å; E275-E277 PolarHBondContact OE2-N 3.43Å; E277-R280 WeakPolarHBondContact O-CB 3.31Å; E277-R280 PolarHBondContact O-N 3.42Å; E277-R280 IonicContact OE1-NE 2.86Å; E277-R280 IonicContact OE2-CZ 3.57Å; E277-R280 IonicContact OE2-NE 3.58Å; E277-R280 PolarHBondContact OE2-NE 2.72Å; E277-R280 IonicContact OE2-NH2 3.59Å; E277-R280 PolarHBondContact OE2-NH2 3.41Å; E277-R281 WeakPolarHBondContact O-CG 3.38Å; E277-R281 PolarHBondContact O-N 2.85Å
278L96.9Very high97.1Very high87 Ų8760.9 Ų60.946%0.45530%0.297SS..Hα-helixtrans-64.3-41.7172.4-66.1-177.8000111.2P273 E275 R281 W282P273-L278 HydrophobicContact CB-CB 3.62Å; P273-L278 HydrophobicContact CB-CD1 4.5Å; P273-L278 HydrophobicContact CG-CB 4.05Å; E275-L278 HydrophobicContact CB-CB 4.34Å; E275-L278 HydrophobicContact CB-CD1 4.16Å; E275-L278 HydrophobicContact CB-CG 4.34Å; E275-L278 PolarHBondContact O-N 3.31Å; E275-L278 WeakPolarHBondContact OE2-CG 3.45Å; E275-L278 PolarHBondContact OE2-N 3.32Å; L278-R281 PolarHBondContact O-N 3.33Å; L278-W282 WeakPolarHBondContact O-CB 3.46Å; L278-W282 PolarHBondContact O-N 2.79Å
279F97.8Very high97.2Very high0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-65.1-39.9174.4-173.7-92.1000112.4V209 H213 V216 I272 P273 E275 W282 M283V209-F279 HydrophobicContact CG1-CD1 3.4Å; V209-F279 HydrophobicContact CG1-CE1 3.65Å; H213-F279 HydrophobicContact CB-CD1 3.51Å; H213-F279 HydrophobicContact CB-CE1 3.52Å; H213-F279 HydrophobicContact CB-CG 4.29Å; H213-F279 HydrophobicContact CB-CZ 4.29Å; H213-F279 AromaticContact CD2-CD1 3.64Å; H213-F279 AromaticContact CD2-CG 3.55Å; H213-F279 AromaticContact CG-CD1 3.92Å; H213-F279 VanDerWaalsContact N-CE1 3.32Å; V216-F279 HydrophobicContact CB-CE2 4.21Å; V216-F279 HydrophobicContact CG1-CE2 4.35Å; V216-F279 HydrophobicContact CG2-CE2 3.89Å; V216-F279 HydrophobicContact CG2-CZ 4.13Å; I272-F279 HydrophobicContact CG2-CD2 3.85Å; I272-F279 HydrophobicContact CG2-CE2 3.75Å; P273-F279 HydrophobicContact CG-CB 4.45Å; P273-F279 WeakPolarHBondContact O-CB 3.44Å; P273-F279 VanDerWaalsContact O-CD2 3.27Å; P273-F279 WeakPolarHBondContact O-CD2 3.48Å; E275-F279 WeakPolarHBondContact O-CB 3.38Å; E275-F279 PolarHBondContact O-N 2.89Å; F279-W282 HydrophobicContact CD2-CE3 4.05Å; F279-W282 HydrophobicContact CD2-CZ3 4.45Å; F279-W282 AromaticContact CE2-CE3 3.83Å; F279-W282 HydrophobicContact CE2-CE3 3.83Å; F279-W282 AromaticContact CE2-CZ3 3.78Å; F279-W282 HydrophobicContact CE2-CZ3 3.78Å; F279-W282 HydrophobicContact CZ-CE3 4.32Å; F279-W282 HydrophobicContact CZ-CZ3 4.12Å; F279-W282 PolarHBondContact O-N 3.41Å; F279-M283 HydrophobicContact CD1-CE 4.45Å; F279-M283 HydrophobicContact CE1-CE 3.4Å; F279-M283 VanDerWaalsContact CE1-CE 3.4Å; F279-M283 HydrophobicContact CE2-CE 4.15Å; F279-M283 HydrophobicContact CZ-CE 3.23Å; F279-M283 WeakPolarHBondContact O-CB 3.31Å; F279-M283 PolarHBondContact O-N 2.71Å
280R96.6Very high97.2Very high67 Ų6760.7 Ų60.725%0.25329%0.294SS..Hα-helixtrans-55.1-54.2172.5179.9168.593.4126.17.4110.3E195 V209 P276 E277 W282 M283 H284E195-R280 IonicContact OE2-NH1 3.44Å; E195-R280 PolarHBondContact OE2-NH1 3.35Å; V209-R280 HydrophobicContact CG1-CB 4.33Å; V209-R280 HydrophobicContact CG2-CB 4.5Å; V209-R280 HydrophobicContact CG2-CG 4.21Å; P276-R280 WeakPolarHBondContact O-CB 3.46Å; P276-R280 PolarHBondContact O-N 2.85Å; E277-R280 WeakPolarHBondContact O-CB 3.31Å; E277-R280 PolarHBondContact O-N 3.42Å; E277-R280 IonicContact OE1-NE 2.86Å; E277-R280 IonicContact OE2-CZ 3.57Å; E277-R280 IonicContact OE2-NE 3.58Å; E277-R280 PolarHBondContact OE2-NE 2.72Å; E277-R280 IonicContact OE2-NH2 3.59Å; E277-R280 PolarHBondContact OE2-NH2 3.41Å; R280-W282 VanDerWaalsContact C-N 3.35Å; R280-W282 PolarHBondContact O-N 2.84Å; R280-M283 PolarHBondContact O-N 3Å; R280-H284 PolarHBondContact O-CD2 2.81Å; R280-H284 PolarHBondContact O-N 3.25Å
281R96.6Very high97.3Very high164 Ų16452.3 Ų52.362%0.61926%0.259SS*.Hα-helixtrans-59.9-43.5178.3-67.4177.9-153176.35.7112.4E277 L278 H284 K285E277-R281 WeakPolarHBondContact O-CG 3.38Å; E277-R281 PolarHBondContact O-N 2.85Å; L278-R281 PolarHBondContact O-N 3.33Å; R281-H284 PolarHBondContact O-N 3.37Å; R281-K285 WeakPolarHBondContact O-CB 3.37Å; R281-K285 PolarHBondContact O-N 2.92Å
282W97.8Very high97.5Very high40 Ų4056.7 Ų56.715%0.15226%0.258CS..Hα-helixtrans-58.2-50.6176.8176.586.3000111.3L90 V226 V267 I272 P273 L278 F279 R280 H284 K285 R286L90-W282 HydrophobicContact CD1-CH2 4.21Å; L90-W282 HydrophobicContact CD1-CZ3 4.17Å; V226-W282 HydrophobicContact CB-CH2 4.44Å; V226-W282 HydrophobicContact CG1-CH2 4.1Å; V267-W282 HydrophobicContact CB-CZ2 4.43Å; V267-W282 HydrophobicContact CG1-CZ2 4.08Å; V267-W282 HydrophobicContact CG2-CZ2 4.39Å; I272-W282 HydrophobicContact CD1-CH2 4.04Å; I272-W282 HydrophobicContact CD1-CZ2 4.05Å; I272-W282 HydrophobicContact CG1-CH2 4.4Å; I272-W282 HydrophobicContact CG1-CZ2 4.03Å; I272-W282 HydrophobicContact CG2-CD2 4.45Å; I272-W282 HydrophobicContact CG2-CE3 4.3Å; I272-W282 HydrophobicContact CG2-CH2 4.34Å; I272-W282 HydrophobicContact CG2-CZ2 4.47Å; I272-W282 HydrophobicContact CG2-CZ3 4.23Å; P273-W282 HydrophobicContact CG-CB 3.87Å; P273-W282 HydrophobicContact CG-CG 4.27Å; L278-W282 WeakPolarHBondContact O-CB 3.46Å; L278-W282 PolarHBondContact O-N 2.79Å; F279-W282 HydrophobicContact CD2-CE3 4.05Å; F279-W282 HydrophobicContact CD2-CZ3 4.45Å; F279-W282 AromaticContact CE2-CE3 3.83Å; F279-W282 HydrophobicContact CE2-CE3 3.83Å; F279-W282 AromaticContact CE2-CZ3 3.78Å; F279-W282 HydrophobicContact CE2-CZ3 3.78Å; F279-W282 HydrophobicContact CZ-CE3 4.32Å; F279-W282 HydrophobicContact CZ-CZ3 4.12Å; F279-W282 PolarHBondContact O-N 3.41Å; R280-W282 VanDerWaalsContact C-N 3.35Å; R280-W282 PolarHBondContact O-N 2.84Å; W282-H284 PolarHBondContact O-N 3.2Å; W282-K285 PolarHBondContact O-N 2.83Å; W282-R286 HydrophobicContact CD2-CG 4.19Å; W282-R286 HydrophobicContact CH2-CG 4.27Å; W282-R286 HydrophobicContact CZ2-CG 3.95Å; W282-R286 WeakPolarHBondContact O-CG 3.43Å; W282-R286 PolarHBondContact O-N 3.26Å
283M98.1Very high97.5Very high0 Ų057.2 Ų57.20%026%0.261CS..Hα-helixtrans-58.9-46.3178.7-17166.155.700112.3L90 P172 P207 V209 F279 R280 K285 R286 F287L90-M283 HydrophobicContact CD1-CE 3.62Å; L90-M283 HydrophobicContact CD1-SD 3.87Å; P172-M283 HydrophobicContact CB-SD 4.37Å; P172-M283 HydrophobicContact CG-SD 4.15Å; P207-M283 HydrophobicContact CB-CG 4.02Å; P207-M283 HydrophobicContact CG-CG 4.02Å; V209-M283 HydrophobicContact CG2-CB 4.32Å; V209-M283 HydrophobicContact CG2-CG 4.3Å; F279-M283 HydrophobicContact CD1-CE 4.45Å; F279-M283 HydrophobicContact CE1-CE 3.4Å; F279-M283 VanDerWaalsContact CE1-CE 3.4Å; F279-M283 HydrophobicContact CE2-CE 4.15Å; F279-M283 HydrophobicContact CZ-CE 3.23Å; F279-M283 WeakPolarHBondContact O-CB 3.31Å; F279-M283 PolarHBondContact O-N 2.71Å; R280-M283 PolarHBondContact O-N 3Å; M283-K285 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 3.44Å; M283-R286 PolarHBondContact O-N 3.11Å; M283-F287 PolarHBondContact O-N 3.39Å; M283-F287 VanDerWaalsContact O-N 3.1Å; M283-F287 HydrophobicContact SD-CD2 4.4Å; M283-F287 HydrophobicContact SD-CE2 4.19Å
284H98Very high97.5Very high22 Ų2255.6 Ų55.610%0.10225%0.251CS..Hα-helixtrans-64.1-39.9178.6-76.1-71.1000111.9L198 R280 R281 W282 R286 F287 E288L198-H284 HydrophobicContact CD2-CB 4.03Å; L198-H284 VanDerWaalsContact CD2-CD2 3.47Å; L198-H284 WeakPolarHBondContact CD2-CD2 3.36Å; R280-H284 PolarHBondContact O-CD2 2.81Å; R280-H284 PolarHBondContact O-N 3.25Å; R281-H284 PolarHBondContact O-N 3.37Å; W282-H284 PolarHBondContact O-N 3.2Å; H284-R286 PolarHBondContact O-N 3.24Å; H284-F287 PolarHBondContact O-N 3Å; H284-E288 PolarHBondContact O-N 2.85Å
285K97.9Very high97.6Very high136 Ų13654.3 Ų54.359%0.59125%0.245SC*.Hα-helixtrans-64.7-38.1175.3-172.7159.4-176.2168.80112.6R281 W282 M283 F287 E288 M289R281-K285 WeakPolarHBondContact O-CB 3.37Å; R281-K285 PolarHBondContact O-N 2.92Å; W282-K285 PolarHBondContact O-N 2.83Å; M283-K285 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 3.44Å; K285-F287 VanDerWaalsContact C-N 3.33Å; K285-F287 PolarHBondContact O-N 3.04Å; K285-E288 PolarHBondContact O-N 2.9Å; K285-M289 WeakPolarHBondContact O-CG 3.44Å; K285-M289 PolarHBondContact O-N 3.35Å; K285-M289 VanDerWaalsContact O-N 3.09Å
286R98.3Very high97.5Very high23 Ų2352.5 Ų52.59%0.08724%0.239CC..Hα-helixtrans-58.2-47.1171.8-64.1-50.5-59.9-166.6-0110.6D228 D265 W282 M283 H284 E288 M289 K290D228-R286 IonicContact OD2-CZ 3.61Å; D228-R286 IonicContact OD2-NE 3.15Å; D228-R286 PolarHBondContact OD2-NE 3.15Å; D228-R286 IonicContact OD2-NH2 3.47Å; D228-R286 PolarHBondContact OD2-NH2 3.05Å; D265-R286 IonicContact OD2-CZ 2.97Å; D265-R286 IonicContact OD2-NH1 3.19Å; D265-R286 PolarHBondContact OD2-NH1 3.36Å; D265-R286 IonicContact OD2-NH2 3.56Å; D265-R286 PolarHBondContact OD2-NH2 2.74Å; W282-R286 HydrophobicContact CD2-CG 4.19Å; W282-R286 HydrophobicContact CH2-CG 4.27Å; W282-R286 HydrophobicContact CZ2-CG 3.95Å; W282-R286 WeakPolarHBondContact O-CG 3.43Å; W282-R286 PolarHBondContact O-N 3.26Å; M283-R286 PolarHBondContact O-N 3.11Å; H284-R286 PolarHBondContact O-N 3.24Å; R286-E288 PolarHBondContact O-N 3.22Å; R286-M289 WeakPolarHBondContact O-CB 3.37Å; R286-M289 PolarHBondContact O-N 2.6Å; R286-K290 WeakPolarHBondContact O-CG 3.29Å; R286-K290 PolarHBondContact O-N 2.83Å
287F98.6Very high97.5Very high0 Ų049.7 Ų49.70%022%0.219CC..Hα-helixtrans-67.5-33.5178.6-90.1-100.3000113.9P172 E173 L201 P207 M283 H284 K285 M289 K290 D291P172-F287 HydrophobicContact CB-CE2 3.83Å; P172-F287 HydrophobicContact CB-CZ 3.84Å; P172-F287 HydrophobicContact CG-CE2 3.85Å; P172-F287 HydrophobicContact CG-CZ 3.96Å; E173-F287 HydrophobicContact CG-CD1 4.43Å; E173-F287 HydrophobicContact CG-CE1 3.54Å; E173-F287 HydrophobicContact CG-CZ 4.18Å; L201-F287 HydrophobicContact CD1-CB 4.04Å; P207-F287 HydrophobicContact CB-CD1 4.19Å; P207-F287 HydrophobicContact CB-CD2 3.61Å; P207-F287 HydrophobicContact CB-CE1 4.28Å; P207-F287 HydrophobicContact CB-CE2 3.7Å; P207-F287 HydrophobicContact CB-CG 3.87Å; P207-F287 HydrophobicContact CB-CZ 4.05Å; P207-F287 HydrophobicContact CG-CB 3.88Å; P207-F287 HydrophobicContact CG-CD1 4.23Å; P207-F287 HydrophobicContact CG-CD2 3.59Å; P207-F287 HydrophobicContact CG-CE2 4.22Å; P207-F287 HydrophobicContact CG-CG 3.6Å; M283-F287 PolarHBondContact O-N 3.39Å; M283-F287 VanDerWaalsContact O-N 3.1Å; M283-F287 HydrophobicContact SD-CD2 4.4Å; M283-F287 HydrophobicContact SD-CE2 4.19Å; H284-F287 PolarHBondContact O-N 3Å; K285-F287 VanDerWaalsContact C-N 3.33Å; K285-F287 PolarHBondContact O-N 3.04Å; F287-M289 VanDerWaalsContact C-N 3.3Å; F287-M289 PolarHBondContact O-N 3.22Å; F287-K290 HydrophobicContact CD1-CD 4.3Å; F287-K290 HydrophobicContact CD2-CD 4.48Å; F287-K290 HydrophobicContact CE1-CD 4.24Å; F287-K290 HydrophobicContact CE2-CD 4.45Å; F287-K290 HydrophobicContact CG-CD 4.41Å; F287-K290 HydrophobicContact CZ-CD 4.32Å; F287-K290 WeakPolarHBondContact O-CB 3.47Å; F287-K290 PolarHBondContact O-N 3.39Å; F287-D291 WeakPolarHBondContact O-CB 3.41Å; F287-D291 PolarHBondContact O-N 3.16Å
288E98.4Very high97.5Very high71 Ų7146.2 Ų46.233%0.33220%0.203SC..Hα-helixtrans-60-42170.4-168.4-163.3146.200111.4A199 H284 K285 R286 D291 R292A199-E288 HydrophobicContact CB-CG 4.06Å; H284-E288 PolarHBondContact O-N 2.85Å; K285-E288 PolarHBondContact O-N 2.9Å; R286-E288 PolarHBondContact O-N 3.22Å; E288-D291 PolarHBondContact O-N 3.47Å; E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.35Å; E288-R292 IonicContact OE1-NH2 2.65Å; E288-R292 PolarHBondContact OE1-NH2 3.48Å
289M98.4Very high97.3Very high75 Ų7546.2 Ų46.237%0.36920%0.201SC..Hα-helixtrans-64.2-42.4174.8-63.9167.462.600111.6K285 R286 F287 D291 R292 M293K285-M289 WeakPolarHBondContact O-CG 3.44Å; K285-M289 PolarHBondContact O-N 3.35Å; K285-M289 VanDerWaalsContact O-N 3.09Å; R286-M289 WeakPolarHBondContact O-CB 3.37Å; R286-M289 PolarHBondContact O-N 2.6Å; F287-M289 VanDerWaalsContact C-N 3.3Å; F287-M289 PolarHBondContact O-N 3.22Å; M289-D291 VanDerWaalsContact C-N 3.34Å; M289-R292 PolarHBondContact O-N 3.02Å; M289-M293 WeakPolarHBondContact O-CE 3.48Å; M289-M293 WeakPolarHBondContact O-CG 3.17Å; M289-M293 PolarHBondContact O-N 3.39Å
290K98.7Very high97.1Very high0 Ų047.2 Ų47.20%021%0.207CC..Hα-helixtrans-59.1-46.8174.8-59.6-171.6-176-68.70111.6N92 T204 D228 V229 T230 R286 F287 M293 L294N92-K290 HydrophobicContact CB-CD 4.36Å; T204-K290 HydrophobicContact CG2-CB 4.38Å; D228-K290 WeakPolarHBondContact OD1-CE 3.35Å; D228-K290 IonicContact OD1-NZ 3.6Å; D228-K290 PolarHBondContact OD1-NZ 2.88Å; D228-K290 IonicContact OD2-NZ 2.82Å; D228-K290 PolarHBondContact OD2-NZ 2.78Å; V229-K290 PolarHBondContact O-NZ 3.47Å; T230-K290 HydrophobicContact CG2-CB 4.08Å; T230-K290 HydrophobicContact CG2-CG 4.39Å; T230-K290 WeakPolarHBondContact OG1-CG 3.34Å; T230-K290 PolarHBondContact OG1-NZ 2.85Å; R286-K290 WeakPolarHBondContact O-CG 3.29Å; R286-K290 PolarHBondContact O-N 2.83Å; F287-K290 HydrophobicContact CD1-CD 4.3Å; F287-K290 HydrophobicContact CD2-CD 4.48Å; F287-K290 HydrophobicContact CE1-CD 4.24Å; F287-K290 HydrophobicContact CE2-CD 4.45Å; F287-K290 HydrophobicContact CG-CD 4.41Å; F287-K290 HydrophobicContact CZ-CD 4.32Å; F287-K290 WeakPolarHBondContact O-CB 3.47Å; F287-K290 PolarHBondContact O-N 3.39Å; K290-M293 PolarHBondContact O-N 2.89Å; K290-L294 WeakPolarHBondContact O-CG 3.49Å; K290-L294 PolarHBondContact O-N 3.2Å
291D98.5Very high96.8Very high14 Ų1453 Ų538%0.07524%0.238CC..Hα-helixtrans-61.9-46.1-178.2-157.572.1000110.8L201 K202 H203 T204 F287 E288 M289 M293 L294 T295L201-D291 HydrophobicContact CB-CB 4.41Å; L201-D291 HydrophobicContact CD2-CB 3.9Å; K202-D291 VanDerWaalsContact N-CG 3.32Å; K202-D291 PolarHBondContact N-OD1 3.35Å; K202-D291 VanDerWaalsContact N-OD1 3.1Å; K202-D291 PolarHBondContact N-OD2 3.34Å; H203-D291 WeakPolarHBondContact CA-OD1 3.49Å; H203-D291 PolarHBondContact N-OD1 2.87Å; T204-D291 PolarHBondContact N-OD1 3.4Å; T204-D291 PolarHBondContact OG1-OD1 3.01Å; F287-D291 WeakPolarHBondContact O-CB 3.41Å; F287-D291 PolarHBondContact O-N 3.16Å; E288-D291 PolarHBondContact O-N 3.47Å; M289-D291 VanDerWaalsContact C-N 3.34Å; D291-M293 PolarHBondContact O-N 3.5Å; D291-L294 PolarHBondContact O-N 3.04Å; D291-L294 VanDerWaalsContact O-N 3.13Å; D291-T295 PolarHBondContact O-N 3.38Å; D291-T295 PolarHBondContact O-OG1 2.92Å
292R98.1Very high96.5Very high146 Ų14648 Ų4855%0.55122%0.223SC*.Hα-helixtrans-58.5-46.3175.3-168.9-178.6-57.4175.73.4112.4E288 M289 L294 T295 D296E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.35Å; E288-R292 IonicContact OE1-NH2 2.65Å; E288-R292 PolarHBondContact OE1-NH2 3.48Å; M289-R292 PolarHBondContact O-N 3.02Å; R292-L294 VanDerWaalsContact C-N 3.28Å; R292-L294 PolarHBondContact O-N 3.05Å; R292-T295 WeakPolarHBondContact O-CB 3.43Å; R292-T295 PolarHBondContact O-N 2.77Å; R292-D296 PolarHBondContact O-N 2.95Å
293M98Very high95.9Very high18 Ų1851 Ų519%0.08925%0.248CC..Hα-helixtrans-61-37.5176.5-75.1-173.7-73.900112.3T230 H263 M289 K290 D291 F297 F309 P310T230-M293 WeakPolarHBondContact OG1-CE 3.28Å; H263-M293 HydrophobicContact CB-SD 4.2Å; H263-M293 VanDerWaalsContact CD2-SD 3.6Å; M289-M293 WeakPolarHBondContact O-CE 3.48Å; M289-M293 WeakPolarHBondContact O-CG 3.17Å; M289-M293 PolarHBondContact O-N 3.39Å; K290-M293 PolarHBondContact O-N 2.89Å; D291-M293 PolarHBondContact O-N 3.5Å; M293-F297 VanDerWaalsContact O-CB 3.26Å; M293-F297 WeakPolarHBondContact O-CB 3.16Å; M293-F297 PolarHBondContact O-N 2.9Å; M293-F309 HydrophobicContact CB-CD1 3.94Å; M293-F309 HydrophobicContact CB-CE1 4.06Å; M293-P310 HydrophobicContact CG-CG 4.09Å; M293-P310 HydrophobicContact SD-CG 4.3Å
294L97.8Very high95.3Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-74.3-34.9177.5-69.2164.4000112.1H203 T204 T230 A232 K290 D291 R292 F297 Y298 F309H203-L294 HydrophobicContact CB-CB 3.54Å; H203-L294 HydrophobicContact CB-CD1 4.14Å; H203-L294 HydrophobicContact CB-CG 4.47Å; T204-L294 HydrophobicContact CG2-CD1 3.49Å; T204-L294 VanDerWaalsContact CG2-CD1 3.49Å; T230-L294 HydrophobicContact CG2-CD1 4.08Å; T230-L294 HydrophobicContact CG2-CD2 4.16Å; T230-L294 HydrophobicContact CG2-CG 3.94Å; A232-L294 HydrophobicContact CB-CD2 3.89Å; K290-L294 WeakPolarHBondContact O-CG 3.49Å; K290-L294 PolarHBondContact O-N 3.2Å; D291-L294 PolarHBondContact O-N 3.04Å; D291-L294 VanDerWaalsContact O-N 3.13Å; R292-L294 VanDerWaalsContact C-N 3.28Å; R292-L294 PolarHBondContact O-N 3.05Å; L294-F297 PolarHBondContact O-N 3.46Å; L294-Y298 HydrophobicContact CB-CD2 4.35Å; L294-Y298 HydrophobicContact CB-CE2 4.46Å; L294-Y298 HydrophobicContact CD2-CE2 3.87Å; L294-Y298 WeakPolarHBondContact O-CB 2.99Å; L294-Y298 WeakPolarHBondContact O-CD2 3.34Å; L294-Y298 PolarHBondContact O-N 2.97Å; L294-F309 HydrophobicContact CD2-CE1 4.12Å; L294-F309 HydrophobicContact CD2-CZ 4.08Å
295T96.6Very high94.9Very high39 Ų3960.6 Ų60.624%0.23930%0.295CS..Hα-helixtrans-60-50171-57.60000110.3H203 D291 R292 F297 Y298 E299H203-T295 PolarHBondContact CD2-OG1 3.45Å; D291-T295 PolarHBondContact O-N 3.38Å; D291-T295 PolarHBondContact O-OG1 2.92Å; R292-T295 WeakPolarHBondContact O-CB 3.43Å; R292-T295 PolarHBondContact O-N 2.77Å; T295-F297 VanDerWaalsContact C-N 3.31Å; T295-F297 PolarHBondContact O-N 3.16Å; T295-Y298 PolarHBondContact O-N 3.23Å; T295-E299 WeakPolarHBondContact O-CA 3.37Å; T295-E299 WeakPolarHBondContact O-CB 3.27Å; T295-E299 PolarHBondContact O-N 2.91Å
296D96.2Very high94.5Very high52 Ų5259.3 Ų59.328%0.27829%0.289SS..Hα-helixtrans-60-43.3176.4-73.2-22.9000111.2R292 Y298 S300 K305R292-D296 PolarHBondContact O-N 2.95Å; D296-Y298 PolarHBondContact O-N 3.36Å; D296-S300 WeakPolarHBondContact O-CB 3.38Å; D296-S300 PolarHBondContact O-N 3.14Å; D296-K305 HydrophobicContact CB-CB 4.49Å
297F96Very high94.3Very high8 Ų859.4 Ų59.44%0.03530%0.298CS..Hα-helixtrans-60.9-45.2179.9-173.3-83.1000112.9A232 H261 M293 L294 T295 G307 R308 F309A232-F297 HydrophobicContact CB-CD1 3.84Å; A232-F297 HydrophobicContact CB-CD2 4.04Å; A232-F297 HydrophobicContact CB-CE1 3.71Å; A232-F297 HydrophobicContact CB-CE2 3.92Å; A232-F297 HydrophobicContact CB-CG 4.02Å; A232-F297 HydrophobicContact CB-CZ 3.76Å; H261-F297 HydrophobicContact CB-CE2 3.74Å; H261-F297 HydrophobicContact CB-CZ 4.29Å; H261-F297 AromaticContact CD2-CE2 3.62Å; H261-F297 AromaticContact CD2-CZ 3.55Å; H261-F297 AromaticContact CG-CE2 3.5Å; H261-F297 AromaticContact CG-CZ 3.93Å; H261-F297 AromaticContact ND1-CE2 3.92Å; M293-F297 VanDerWaalsContact O-CB 3.26Å; M293-F297 WeakPolarHBondContact O-CB 3.16Å; M293-F297 PolarHBondContact O-N 2.9Å; L294-F297 PolarHBondContact O-N 3.46Å; T295-F297 VanDerWaalsContact C-N 3.31Å; T295-F297 PolarHBondContact O-N 3.16Å; F297-G307 VanDerWaalsContact CD2-C 3.42Å; F297-G307 VanDerWaalsContact CE2-O 3.23Å; F297-G307 WeakPolarHBondContact CE2-O 3.3Å; F297-G307 PolarHBondContact O-N 2.84Å; F297-R308 VanDerWaalsContact CD2-N 3.35Å; F297-F309 HydrophobicContact CB-CE1 4.22Å; F297-F309 HydrophobicContact CD2-CD1 4.17Å; F297-F309 HydrophobicContact CD2-CE1 4.09Å; F297-F309 HydrophobicContact CD2-CZ 4.5Å; F297-F309 HydrophobicContact CG-CE1 4.38Å
298Y94.1Very high94.1Very high8 Ų866.1 Ų66.13%0.03132%0.323CS..Hα-helixtrans-93-31.2-172.6-71.4-60.2000114.2H203 Y233 T236 L237 R243 L294 T295 D296H203-Y298 AromaticContact ND1-CD2 3.69Å; Y233-Y298 PolarHBondContact N-OH 3.08Å; Y233-Y298 PolarHBondContact O-OH 3.36Å; T236-Y298 VanDerWaalsContact OG1-CE1 3.25Å; T236-Y298 WeakPolarHBondContact OG1-CE1 3.35Å; L237-Y298 HydrophobicContact CD2-CD1 3.88Å; L237-Y298 HydrophobicContact CG-CD1 4.27Å; R243-Y298 HydrophobicContact CG-CD1 4.48Å; R243-Y298 HydrophobicContact CG-CE1 4.49Å; R243-Y298 VanDerWaalsContact NE-CE2 3.3Å; L294-Y298 HydrophobicContact CB-CD2 4.35Å; L294-Y298 HydrophobicContact CB-CE2 4.46Å; L294-Y298 HydrophobicContact CD2-CE2 3.87Å; L294-Y298 WeakPolarHBondContact O-CB 2.99Å; L294-Y298 WeakPolarHBondContact O-CD2 3.34Å; L294-Y298 PolarHBondContact O-N 2.97Å; T295-Y298 PolarHBondContact O-N 3.23Å; D296-Y298 PolarHBondContact O-N 3.36Å
299E93.7Very high94.1Very high88 Ų8863.1 Ų63.141%0.41131%0.309SS..Hα-helixtrans-121.4-9.8-164.8-52.5-170163.600114.2K202 H203 T295 E301K202-E299 WeakPolarHBondContact CE-OE1 3.48Å; K202-E299 IonicContact NZ-OE1 2.66Å; K202-E299 PolarHBondContact NZ-OE1 2.98Å; K202-E299 IonicContact NZ-OE2 3.26Å; K202-E299 PolarHBondContact NZ-OE2 3.28Å; H203-E299 IonicContact CE1-OE1 2.65Å; H203-E299 PolarHBondContact CE1-OE1 2.73Å; H203-E299 VanDerWaalsContact CE1-OE1 3.29Å; H203-E299 IonicContact NE2-OE1 3.88Å; H203-E299 PolarHBondContact NE2-OE1 3.21Å; H203-E299 VanDerWaalsContact NE2-OE1 3.14Å; H203-E299 IonicContact NE2-OE2 2.79Å; T295-E299 WeakPolarHBondContact O-CA 3.37Å; T295-E299 WeakPolarHBondContact O-CB 3.27Å; T295-E299 PolarHBondContact O-N 2.91Å; E299-E301 PolarHBondContact O-N 3.26Å
300S92.4Very high93.9Very high20 Ų2063 Ų6314%0.1431%0.314CS..  trans-63.8137.3-179-160.80000111.9D296 D302 K306D296-S300 WeakPolarHBondContact O-CB 3.38Å; D296-S300 PolarHBondContact O-N 3.14Å; S300-D302 VanDerWaalsContact C-N 3.32Å; S300-D302 WeakPolarHBondContact OG-CB 3.2Å; S300-D302 PolarHBondContact OG-N 3.38Å; S300-K306 WeakPolarHBondContact O-CD 3.09Å
301E90.5Very high93.7Very high190 Ų19066.1 Ų66.189%0.88835%0.346SS*.SBendtrans-82.2-16.5168.5-63.1-174.3166.800111.9E299 P303E299-E301 PolarHBondContact O-N 3.26Å; E301-P303 VanDerWaalsContact O-CD 3.27Å; E301-P303 WeakPolarHBondContact O-CD 3.43Å
302D91.1Very high93.4Very high57 Ų5771.9 Ų71.931%0.30537%0.372SS..  trans-71.4113.8176.1-177.2-9.8000109.7S300 D304 K305 K306S300-D302 VanDerWaalsContact C-N 3.32Å; S300-D302 WeakPolarHBondContact OG-CB 3.2Å; S300-D302 PolarHBondContact OG-N 3.38Å; D302-D304 PolarHBondContact O-N 3.34Å; D302-D304 VanDerWaalsContact O-N 3.12Å; D302-D304 WeakPolarHBondContact OD1-CB 3.36Å; D302-D304 PolarHBondContact OD1-N 3.4Å; D302-K305 HydrophobicContact CB-CB 4.24Å; D302-K305 HydrophobicContact CB-CD 4.15Å; D302-K305 HydrophobicContact CB-CG 4.22Å; D302-K305 PolarHBondContact O-N 2.93Å; D302-K305 VanDerWaalsContact OD2-CE 3.29Å; D302-K305 WeakPolarHBondContact OD2-CE 3.31Å; D302-K305 IonicContact OD2-NZ 3.58Å; D302-K306 PolarHBondContact O-N 2.65Å
303P85.2Confident93.3Very high104 Ų10466.5 Ų66.568%0.67536%0.362SS*.THydrogen-bonded Turntrans-59.7-23.7-179-22.934.7000113.8E301 K305E301-P303 VanDerWaalsContact O-CD 3.27Å; E301-P303 WeakPolarHBondContact O-CD 3.43Å; P303-K305 VanDerWaalsContact C-N 3.33Å
304D85.8Confident93.3Very high125 Ų12571.6 Ų71.667%0.66838%0.381SS*.THydrogen-bonded Turntrans-78.1-21.6179.4-69.1-33.9000112.4D302D302-D304 PolarHBondContact O-N 3.34Å; D302-D304 VanDerWaalsContact O-N 3.12Å; D302-D304 WeakPolarHBondContact OD1-CB 3.36Å; D302-D304 PolarHBondContact OD1-N 3.4Å
305K88.1Confident93.3Very high98 Ų9876.5 Ų76.543%0.42641%0.406SS..THydrogen-bonded Turntrans-101.6-34179.3-63.7-179.7-173.5172.70112.9D296 D302 P303 G307 R308D296-K305 HydrophobicContact CB-CB 4.49Å; D302-K305 HydrophobicContact CB-CB 4.24Å; D302-K305 HydrophobicContact CB-CD 4.15Å; D302-K305 HydrophobicContact CB-CG 4.22Å; D302-K305 PolarHBondContact O-N 2.93Å; D302-K305 VanDerWaalsContact OD2-CE 3.29Å; D302-K305 WeakPolarHBondContact OD2-CE 3.31Å; D302-K305 IonicContact OD2-NZ 3.58Å; P303-K305 VanDerWaalsContact C-N 3.33Å; K305-G307 PolarHBondContact O-N 2.82Å; K305-R308 PolarHBondContact O-N 3.31Å; K305-R308 VanDerWaalsContact O-N 3.13Å
306K91.2Very high93.3Very high110 Ų11076.3 Ų76.348%0.47841%0.406SS..THydrogen-bonded Turntrans-61.8128.3-177.8-167.4176-170.1163.50110.9S300 D302 R308S300-K306 WeakPolarHBondContact O-CD 3.09Å; D302-K306 PolarHBondContact O-N 2.65Å; K306-R308 PolarHBondContact O-N 3.33Å
307G93.3Very high93.3Very high25 Ų2579 Ų7926%0.25843%0.426SS..THydrogen-bonded Turntrans66.518.3-179.300000114.4H261 F297 K305H261-G307 PolarHBondContact CE1-O 3.25Å; F297-G307 VanDerWaalsContact CD2-C 3.42Å; F297-G307 VanDerWaalsContact CE2-O 3.23Å; F297-G307 WeakPolarHBondContact CE2-O 3.3Å; F297-G307 PolarHBondContact O-N 2.84Å; K305-G307 PolarHBondContact O-N 2.82Å
308R95.1Very high93.3Very high141 Ų14179.2 Ų79.253%0.53243%0.428SS..  trans-139.6148.9179.1-62.6-178.5177.3179.10.7110.8Y77 F297 K305 K306Y77-R308 HydrophobicContact CE1-CB 4.38Å; F297-R308 VanDerWaalsContact CD2-N 3.35Å; K305-R308 PolarHBondContact O-N 3.31Å; K305-R308 VanDerWaalsContact O-N 3.13Å; K306-R308 PolarHBondContact O-N 3.33Å
309F97.4Very high93.5Very high7 Ų783.8 Ų83.83%0.03145%0.453CS..  trans-90.9162.7167.6-70.2-45000110.8Y77 T230 A232 H261 H263 M293 L294 F297Y77-F309 HydrophobicContact CD1-CB 3.89Å; Y77-F309 WeakPolarHBondContact CD1-O 3.38Å; Y77-F309 HydrophobicContact CD2-CB 3.82Å; Y77-F309 AromaticContact CD2-CD2 3.88Å; Y77-F309 HydrophobicContact CD2-CD2 3.88Å; Y77-F309 HydrophobicContact CD2-CG 4.34Å; Y77-F309 HydrophobicContact CE1-CB 4.19Å; Y77-F309 WeakPolarHBondContact CE1-O 3.44Å; Y77-F309 HydrophobicContact CE2-CB 4.12Å; Y77-F309 HydrophobicContact CE2-CD2 4.13Å; Y77-F309 HydrophobicContact CG-CB 3.7Å; T230-F309 HydrophobicContact CG2-CE1 4.2Å; T230-F309 HydrophobicContact CG2-CZ 3.87Å; T230-F309 WeakPolarHBondContact O-CE2 3Å; A232-F309 HydrophobicContact CB-CE1 4.2Å; A232-F309 HydrophobicContact CB-CE2 4.07Å; A232-F309 HydrophobicContact CB-CZ 3.48Å; A232-F309 VanDerWaalsContact CB-CZ 3.48Å; H261-F309 HydrophobicContact CB-CD2 3.91Å; H261-F309 HydrophobicContact CB-CE2 3.85Å; H261-F309 WeakPolarHBondContact O-CE2 3.38Å; H263-F309 HydrophobicContact CB-CB 4.08Å; H263-F309 HydrophobicContact CB-CD2 3.59Å; H263-F309 HydrophobicContact CB-CE2 4.06Å; H263-F309 HydrophobicContact CB-CG 3.86Å; M293-F309 HydrophobicContact CB-CD1 3.94Å; M293-F309 HydrophobicContact CB-CE1 4.06Å; L294-F309 HydrophobicContact CD2-CE1 4.12Å; L294-F309 HydrophobicContact CD2-CZ 4.08Å; F297-F309 HydrophobicContact CB-CE1 4.22Å; F297-F309 HydrophobicContact CD2-CD1 4.17Å; F297-F309 HydrophobicContact CD2-CE1 4.09Å; F297-F309 HydrophobicContact CD2-CZ 4.5Å; F297-F309 HydrophobicContact CG-CE1 4.38Å
310P94.8Very high93.6Very high73 Ų7383.8 Ų83.847%0.47446%0.455SS..SBendtrans-56.9140.9175-25.235000112.5M293M293-P310 HydrophobicContact CG-CG 4.09Å; M293-P310 HydrophobicContact SD-CG 4.3Å
311G93.2Very high93.9Very high66 Ų6686.5 Ų86.568%0.6847%0.474SS*.SBendtrans94-176.9179.100000114.3G313G311-G313 PolarHBondContact O-N 3.45Å
312E93.9Very high94.2Very high134 Ų13482.5 Ų82.563%0.62645%0.453SS*.  trans-79.9115.9178.6-173-170.4-158.200110.2R314E312-R314 IonicContact OE2-CZ 3.01Å; E312-R314 IonicContact OE2-NE 2.7Å; E312-R314 PolarHBondContact OE2-NE 2.95Å; E312-R314 IonicContact OE2-NH2 3.18Å; E312-R314 PolarHBondContact OE2-NH2 2.97Å; E312-R314 VanDerWaalsContact OE2-NH2 3.17Å
313G96.1Very high94.5Very high33 Ų3379.8 Ų79.834%0.3444%0.439SS..EExtended strand (participates in β ladder)trans-80.5123.1173.700000111.3G311G311-G313 PolarHBondContact O-N 3.45Å
314R97.4Very high95Very high126 Ų12677.7 Ų77.748%0.47542%0.422SS..EExtended strand (participates in β ladder)trans-107.9125177.7-63.1178.9-175.4150.15.4110.4I76 D79 E312 S316I76-R314 PolarHBondContact N-O 3Å; I76-R314 PolarHBondContact O-N 3.49Å; D79-R314 IonicContact OD1-CZ 2.8Å; D79-R314 IonicContact OD1-NH1 3.33Å; D79-R314 PolarHBondContact OD1-NH1 2.82Å; E312-R314 IonicContact OE2-CZ 3.01Å; E312-R314 IonicContact OE2-NE 2.7Å; E312-R314 PolarHBondContact OE2-NE 2.95Å; E312-R314 IonicContact OE2-NH2 3.18Å; E312-R314 PolarHBondContact OE2-NH2 2.97Å; E312-R314 VanDerWaalsContact OE2-NH2 3.17Å; R314-S316 PolarHBondContact O-N 3.3Å
315I97.6Very high95.6Very high103 Ų10374.6 Ų74.653%0.52841%0.409SS..EExtended strand (participates in β ladder)trans-66125.3170.1-61.6168.4000107.9E73 I74 V75E73-I315 HydrophobicContact CG-CD1 4.47Å; E73-I315 HydrophobicContact CG-CG1 4.21Å; E73-I315 HydrophobicContact CG-CG2 3.88Å; I74-I315 WeakPolarHBondContact O-CA 3.5Å; V75-I315 HydrophobicContact CG2-CG1 4.14Å
316S96.9Very high96.1Very high34 Ų3470.6 Ų70.624%0.23839%0.393CS..  trans-123.590.2-177-175.40000108.8I74 R108 R314I74-S316 PolarHBondContact O-N 2.91Å; R108-S316 PolarHBondContact NE-OG 3.41Å; R108-S316 PolarHBondContact NH2-O 2.73Å; R314-S316 PolarHBondContact O-N 3.3Å
317P96.3Very high96.4Very high108 Ų10866.1 Ų66.170%0.70138%0.376SS*.  trans-79.4137.8179.330.7-32.8000111.7N319P317-N319 PolarHBondContact O-N 3.45Å
318L96.3Very high96.6Very high14 Ų1470.3 Ų70.37%0.07339%0.392CS..  trans-74.8115.9169.6-17964.4000111.2L63 E67 N68 I107 L320 K322L63-L318 HydrophobicContact CB-CD2 4.13Å; E67-L318 HydrophobicContact CB-CB 4.5Å; E67-L318 HydrophobicContact CB-CD2 4.21Å; E67-L318 HydrophobicContact CG-CB 4.2Å; E67-L318 WeakPolarHBondContact OE1-CB 3.25Å; E67-L318 PolarHBondContact OE1-N 2.97Å; N68-L318 PolarHBondContact ND2-O 2.7Å; I107-L318 HydrophobicContact CD1-CD1 4.1Å; I107-L318 HydrophobicContact CD1-CD2 4.38Å; I107-L318 HydrophobicContact CG1-CD1 4.23Å; I107-L318 HydrophobicContact CG2-CD1 3.74Å; I107-L318 HydrophobicContact CG2-CD2 4.42Å; L318-L320 PolarHBondContact O-N 3.44Å; L318-K322 HydrophobicContact CD1-CB 3.73Å; L318-K322 HydrophobicContact CD1-CG 4.14Å; L318-K322 HydrophobicContact CG-CB 4.45Å
319N96.6Very high96.7Very high104 Ų10467.6 Ų67.656%0.55639%0.388SS*.  trans-62.4131.5174.9-171.7-48.3000110.9P317 S321 K322P317-N319 PolarHBondContact O-N 3.45Å; N319-S321 VanDerWaalsContact CG-OG 3.24Å; N319-S321 PolarHBondContact O-N 3.21Å; N319-S321 VanDerWaalsContact O-N 3.07Å; N319-S321 WeakPolarHBondContact OD1-CB 3.48Å; N319-S321 PolarHBondContact OD1-N 3.06Å; N319-S321 PolarHBondContact OD1-OG 3.41Å; N319-K322 WeakPolarHBondContact O-CB 3.21Å; N319-K322 PolarHBondContact O-N 3.03Å
320L97.3Very high96.7Very high88 Ų8867.5 Ų67.546%0.46139%0.387SS..G310 helixtrans-52.3-32.4178.9-77.8170.5000113.6F64 N68 L318 K322 S323 L324F64-L320 HydrophobicContact CD2-CD2 4.19Å; F64-L320 HydrophobicContact CE2-CD2 3.81Å; N68-L320 HydrophobicContact CB-CD2 3.79Å; L318-L320 PolarHBondContact O-N 3.44Å; L320-K322 PolarHBondContact O-N 3.24Å; L320-K322 VanDerWaalsContact O-N 3.1Å; L320-S323 PolarHBondContact O-N 3.26Å; L320-S323 VanDerWaalsContact O-N 3.13Å; L320-L324 HydrophobicContact CB-CB 4.49Å; L320-L324 WeakPolarHBondContact O-CB 3.47Å; L320-L324 PolarHBondContact O-N 3.18Å
321S97.1Very high96.8Very high77 Ų7765.5 Ų65.554%0.53838%0.379SS..G310 helixtrans-59.8-19.5176.460.40000114N319 P325N319-S321 VanDerWaalsContact CG-OG 3.24Å; N319-S321 PolarHBondContact O-N 3.21Å; N319-S321 VanDerWaalsContact O-N 3.07Å; N319-S321 WeakPolarHBondContact OD1-CB 3.48Å; N319-S321 PolarHBondContact OD1-N 3.06Å; N319-S321 PolarHBondContact OD1-OG 3.41Å; S321-P325 WeakPolarHBondContact O-CD 3.43Å; S321-P325 WeakPolarHBondContact O-CG 3.47Å
322K96.7Very high97Very high105 Ų10564.4 Ų64.446%0.45737%0.368SS..G310 helixtrans-84.1-22.8178.1-64.7-70.7-172.6173.30113.6I107 L318 N319 L320I107-K322 HydrophobicContact CD1-CB 4.07Å; I107-K322 HydrophobicContact CG1-CB 4.42Å; L318-K322 HydrophobicContact CD1-CB 3.73Å; L318-K322 HydrophobicContact CD1-CG 4.14Å; L318-K322 HydrophobicContact CG-CB 4.45Å; N319-K322 WeakPolarHBondContact O-CB 3.21Å; N319-K322 PolarHBondContact O-N 3.03Å; L320-K322 PolarHBondContact O-N 3.24Å; L320-K322 VanDerWaalsContact O-N 3.1Å
323S97.4Very high97.1Very high0 Ų062 Ų620%036%0.359CS..THydrogen-bonded Turntrans-126.1-39.8-168.260.60000113.4S60 N68 L320 S326 A327S60-S323 VanDerWaalsContact O-CB 3.29Å; S60-S323 WeakPolarHBondContact O-CB 3.47Å; N68-S323 PolarHBondContact OD1-OG 2.78Å; L320-S323 PolarHBondContact O-N 3.26Å; L320-S323 VanDerWaalsContact O-N 3.13Å; S323-S326 WeakPolarHBondContact O-CB 3.14Å; S323-S326 PolarHBondContact O-N 2.9Å; S323-A327 PolarHBondContact O-N 3.36Å
324L97.6Very high97.1Very high61 Ų6160.9 Ų60.932%0.31935%0.346SS..Hα-helixtrans-61.5-44.1-177.3179.463000113.3F64 L320 S326 A327 L328F64-L324 HydrophobicContact CD2-CB 4.24Å; F64-L324 HydrophobicContact CD2-CD1 4.27Å; F64-L324 HydrophobicContact CE2-CB 4.28Å; F64-L324 HydrophobicContact CE2-CD1 3.72Å; F64-L324 HydrophobicContact CZ-CD1 4.11Å; L320-L324 HydrophobicContact CB-CB 4.49Å; L320-L324 WeakPolarHBondContact O-CB 3.47Å; L320-L324 PolarHBondContact O-N 3.18Å; L324-S326 PolarHBondContact O-N 3.34Å; L324-A327 PolarHBondContact O-N 2.79Å; L324-A327 VanDerWaalsContact O-N 3.11Å; L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.5Å; L324-L328 HydrophobicContact CD1-CG 4.14Å; L324-L328 HydrophobicContact CG-CD1 4.13Å; L324-L328 HydrophobicContact CG-CG 4.33Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 2.92Å
325P98.2Very high97Very high60 Ų6059.3 Ų59.339%0.3935%0.347SS..Hα-helixtrans-56.8-38.3177.9-26.736.3000112.5S321 L328 I329S321-P325 WeakPolarHBondContact O-CD 3.43Å; S321-P325 WeakPolarHBondContact O-CG 3.47Å; P325-L328 PolarHBondContact O-N 3.47Å; P325-I329 WeakPolarHBondContact O-CB 3.23Å; P325-I329 WeakPolarHBondContact O-CD1 3.11Å; P325-I329 WeakPolarHBondContact O-CG1 3.23Å; P325-I329 PolarHBondContact O-N 2.9Å
326S97.9Very high96.9Very high14 Ų1457.9 Ų57.910%0.09834%0.344CS..Hα-helixtrans-67.6-39.3178.2-590000112.8I57 S60 S323 L324 L328 I329 L330I57-S326 WeakPolarHBondContact O-CB 3.28Å; S60-S326 WeakPolarHBondContact CB-OG 3.32Å; S323-S326 WeakPolarHBondContact O-CB 3.14Å; S323-S326 PolarHBondContact O-N 2.9Å; L324-S326 PolarHBondContact O-N 3.34Å; S326-L328 VanDerWaalsContact C-N 3.35Å; S326-I329 PolarHBondContact O-N 3.12Å; S326-L330 PolarHBondContact O-N 3.45Å
327A96.8Very high96.9Very high15 Ų1557.3 Ų57.312%0.12434%0.338CS..Hα-helixtrans-63.4-40.8173.700000112.1M61 F64 S323 L324 G331M61-A327 HydrophobicContact CB-CB 4.33Å; M61-A327 HydrophobicContact CG-CB 3.94Å; F64-A327 HydrophobicContact CB-CB 4.42Å; F64-A327 HydrophobicContact CD1-CB 4.28Å; F64-A327 HydrophobicContact CG-CB 4.28Å; S323-A327 PolarHBondContact O-N 3.36Å; L324-A327 PolarHBondContact O-N 2.79Å; L324-A327 VanDerWaalsContact O-N 3.11Å; A327-G331 PolarHBondContact O-N 3.45Å
328L97.9Very high96.9Very high114 Ų11455.8 Ų55.860%0.59732%0.323SS*.Hα-helixtrans-66.7-42.8176.1-66.9177000112.4L324 P325 S326 G332L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.5Å; L324-L328 HydrophobicContact CD1-CG 4.14Å; L324-L328 HydrophobicContact CG-CD1 4.13Å; L324-L328 HydrophobicContact CG-CG 4.33Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 2.92Å; P325-L328 PolarHBondContact O-N 3.47Å; S326-L328 VanDerWaalsContact C-N 3.35Å; L328-G332 PolarHBondContact O-N 3.44Å
329I97.9Very high96.9Very high84 Ų8460.9 Ų60.943%0.43135%0.35SS..Hα-helixtrans-60.4-52177.4-71.9163.3000110.3I57 P325 S326 G332 L333I57-I329 HydrophobicContact CG2-CG2 4.4Å; P325-I329 WeakPolarHBondContact O-CB 3.23Å; P325-I329 WeakPolarHBondContact O-CD1 3.11Å; P325-I329 WeakPolarHBondContact O-CG1 3.23Å; P325-I329 PolarHBondContact O-N 2.9Å; S326-I329 PolarHBondContact O-N 3.12Å; I329-G332 PolarHBondContact O-N 3.45Å; I329-L333 HydrophobicContact CG2-CD1 4.17Å; I329-L333 WeakPolarHBondContact O-CG 3.09Å; I329-L333 PolarHBondContact O-N 3.15Å
330L97.6Very high96.9Very high5 Ų559.4 Ų59.43%0.02635%0.345CS..Hα-helixtrans-68.6-37.8-178.2-73.6173.6000112.3T24 I57 Y58 M61 S326 L333 T334T24-L330 HydrophobicContact CG2-CB 3.88Å; I57-L330 HydrophobicContact CG2-CD1 3.97Å; I57-L330 HydrophobicContact CG2-CD2 4.34Å; I57-L330 HydrophobicContact CG2-CG 3.86Å; Y58-L330 HydrophobicContact CD2-CD1 3.91Å; M61-L330 HydrophobicContact CB-CD1 3.95Å; M61-L330 HydrophobicContact CE-CD1 4.07Å; M61-L330 HydrophobicContact CG-CD1 4.35Å; M61-L330 HydrophobicContact SD-CB 3.99Å; M61-L330 HydrophobicContact SD-CD1 3.61Å; M61-L330 HydrophobicContact SD-CG 4.46Å; S326-L330 PolarHBondContact O-N 3.45Å; L330-L333 PolarHBondContact O-N 2.92Å; L330-T334 VanDerWaalsContact O-CB 3.3Å; L330-T334 WeakPolarHBondContact O-CB 3.5Å; L330-T334 PolarHBondContact O-N 2.71Å; L330-T334 PolarHBondContact O-OG1 3.2Å
331G96.2Very high96.9Very high30 Ų3060.7 Ų60.731%0.30935%0.348SS..Hα-helixtrans-60.1-46.5171.600000112A327 L333 T334 L335A327-G331 PolarHBondContact O-N 3.45Å; G331-L333 PolarHBondContact O-N 2.79Å; G331-T334 PolarHBondContact O-N 3.44Å; G331-L335 WeakPolarHBondContact O-CB 3.29Å; G331-L335 PolarHBondContact O-N 2.98Å
332G96.4Very high96.9Very high43 Ų4362.9 Ų62.944%0.44335%0.354SS..Hα-helixtrans-63.9-35.1177.900000113.7L328 I329 P336L328-G332 PolarHBondContact O-N 3.44Å; I329-G332 PolarHBondContact O-N 3.45Å; G332-P336 WeakPolarHBondContact O-CD 3.33Å
333L96.1Very high97Very high84 Ų8458.2 Ų58.244%0.4434%0.336SS..Hα-helixtrans-72.7-34173.2-69.7174000112.5A27 I329 L330 G331A27-L333 HydrophobicContact CB-CB 4.13Å; I329-L333 HydrophobicContact CG2-CD1 4.17Å; I329-L333 WeakPolarHBondContact O-CG 3.09Å; I329-L333 PolarHBondContact O-N 3.15Å; L330-L333 PolarHBondContact O-N 2.92Å; G331-L333 PolarHBondContact O-N 2.79Å
334T97.1Very high97Very high9 Ų963.8 Ų63.86%0.05536%0.357CS..Hα-helixtrans-78.2-34.9-177.6-56.40000111.7G23 T24 A27 L330 G331 M337 L338 Y347G23-T334 WeakPolarHBondContact O-CG2 3.39Å; T24-T334 WeakPolarHBondContact CA-OG1 3.48Å; T24-T334 WeakPolarHBondContact CG2-OG1 3.37Å; A27-T334 WeakPolarHBondContact CB-OG1 3.4Å; L330-T334 VanDerWaalsContact O-CB 3.3Å; L330-T334 WeakPolarHBondContact O-CB 3.5Å; L330-T334 PolarHBondContact O-N 2.71Å; L330-T334 PolarHBondContact O-OG1 3.2Å; G331-T334 PolarHBondContact O-N 3.44Å; T334-M337 WeakPolarHBondContact O-CA 3.27Å; T334-M337 VanDerWaalsContact O-CB 3.31Å; T334-M337 WeakPolarHBondContact O-CB 3.09Å; T334-M337 PolarHBondContact O-N 3.18Å; T334-M337 VanDerWaalsContact O-N 3.08Å; T334-L338 HydrophobicContact CG2-CD1 3.98Å; T334-L338 HydrophobicContact CG2-CG 4.22Å; T334-L338 PolarHBondContact O-N 3.42Å; T334-Y347 HydrophobicContact CG2-CE2 4.34Å
335L96Very high97Very high94 Ų9465.2 Ų65.249%0.49236%0.361SS..Hα-helixtrans-59.3-48.2-173.4-17667.5000113.5G331 M337 L338 L339G331-L335 WeakPolarHBondContact O-CB 3.29Å; G331-L335 PolarHBondContact O-N 2.98Å; L335-M337 PolarHBondContact O-N 3.22Å; L335-L338 PolarHBondContact O-N 3.37Å; L335-L339 HydrophobicContact CD1-CD1 3.81Å; L335-L339 HydrophobicContact CD1-CD2 4.24Å; L335-L339 HydrophobicContact CD1-CG 3.87Å; L335-L339 HydrophobicContact CD2-CD1 4.17Å; L335-L339 HydrophobicContact CG-CD1 3.63Å; L335-L339 HydrophobicContact CG-CG 4.07Å; L335-L339 WeakPolarHBondContact O-CG 3.09Å; L335-L339 PolarHBondContact O-N 2.89Å
336P95.1Very high97Very high73 Ų7366.3 Ų66.347%0.47436%0.363SS..Hα-helixtrans-60.5-32175.5-2434.1000113.5G332 L338 T340G332-P336 WeakPolarHBondContact O-CD 3.33Å; P336-L338 VanDerWaalsContact C-N 3.27Å; P336-L338 PolarHBondContact O-N 3.38Å; P336-T340 PolarHBondContact O-N 3.18Å; P336-T340 PolarHBondContact O-OG1 3.42Å
337M96.3Very high97Very high21 Ų2167.4 Ų67.410%0.10337%0.365CS..Hα-helixtrans-66.1-31.2174.5-59.5-178.368.800111.3P26 A27 L30 T334 L335 G343 R344 L346 Y347P26-M337 HydrophobicContact CB-CE 4.14Å; A27-M337 HydrophobicContact CB-SD 3.86Å; L30-M337 HydrophobicContact CD1-CE 3.44Å; L30-M337 VanDerWaalsContact CD1-CE 3.44Å; L30-M337 HydrophobicContact CD1-SD 4.21Å; T334-M337 WeakPolarHBondContact O-CA 3.27Å; T334-M337 VanDerWaalsContact O-CB 3.31Å; T334-M337 WeakPolarHBondContact O-CB 3.09Å; T334-M337 PolarHBondContact O-N 3.18Å; T334-M337 VanDerWaalsContact O-N 3.08Å; L335-M337 PolarHBondContact O-N 3.22Å; M337-G343 CarbonylContact O-C 3.57Å; M337-G343 VanDerWaalsContact O-CA 3.29Å; M337-G343 WeakPolarHBondContact O-CA 3.5Å; M337-R344 WeakPolarHBondContact O-CA 3.06Å; M337-R344 PolarHBondContact O-N 3.19Å; M337-L346 HydrophobicContact CE-CD2 4.35Å; M337-L346 HydrophobicContact CE-CG 4.14Å; M337-Y347 HydrophobicContact CB-CD2 4.38Å; M337-Y347 HydrophobicContact CE-CD2 4.12Å
338L96.1Very high97.1Very high76 Ų7670.8 Ų70.840%0.39838%0.384SS..Hα-helixtrans-88-33.4179.9-61180000112.7T334 L335 P336 R344 Y347T334-L338 HydrophobicContact CG2-CD1 3.98Å; T334-L338 HydrophobicContact CG2-CG 4.22Å; T334-L338 PolarHBondContact O-N 3.42Å; L335-L338 PolarHBondContact O-N 3.37Å; P336-L338 VanDerWaalsContact C-N 3.27Å; P336-L338 PolarHBondContact O-N 3.38Å; L338-R344 VanDerWaalsContact O-CD 3.3Å; L338-R344 WeakPolarHBondContact O-CD 3.32Å; L338-R344 WeakPolarHBondContact O-CG 3.28Å; L338-R344 PolarHBondContact O-NH1 3.08Å; L338-Y347 HydrophobicContact CD2-CD1 4.23Å; L338-Y347 HydrophobicContact CD2-CD2 3.87Å; L338-Y347 HydrophobicContact CD2-CE1 4.3Å; L338-Y347 HydrophobicContact CD2-CE2 3.93Å; L338-Y347 HydrophobicContact CD2-CG 4.02Å
339L96.8Very high97Very high121 Ų12172.3 Ų72.363%0.63438%0.382SS*.Hα-helixtrans-77.7-29.9-174.8-66.1-179.1000113.6L335 R344L335-L339 HydrophobicContact CD1-CD1 3.81Å; L335-L339 HydrophobicContact CD1-CD2 4.24Å; L335-L339 HydrophobicContact CD1-CG 3.87Å; L335-L339 HydrophobicContact CD2-CD1 4.17Å; L335-L339 HydrophobicContact CG-CD1 3.63Å; L335-L339 HydrophobicContact CG-CG 4.07Å; L335-L339 WeakPolarHBondContact O-CG 3.09Å; L335-L339 PolarHBondContact O-N 2.89Å; L339-R344 PolarHBondContact O-NH1 2.99Å
340T96.9Very high97Very high73 Ų7368.9 Ų68.945%0.44837%0.365SS..SBendtrans-98.3148.7-177.765.70000112.3P336 G343 R344P336-T340 PolarHBondContact O-N 3.18Å; P336-T340 PolarHBondContact O-OG1 3.42Å; T340-G343 PolarHBondContact O-N 3.39Å; T340-G343 VanDerWaalsContact OG1-CA 3.31Å; T340-G343 WeakPolarHBondContact OG1-CA 3.31Å; T340-G343 PolarHBondContact OG1-N 3.5Å; T340-R344 WeakPolarHBondContact O-CG 3.44Å; T340-R344 PolarHBondContact O-N 2.65Å; T340-R344 PolarHBondContact O-NH1 3.01Å
341E97.3Very high97Very high115 Ų11571.5 Ų71.554%0.53737%0.374SS..Hα-helixtrans-61.8-46.7177.9-169.4-167.1151.900111.9G343 R344 K345E341-G343 VanDerWaalsContact C-N 3.33Å; E341-G343 PolarHBondContact O-N 2.94Å; E341-R344 PolarHBondContact O-N 3.15Å; E341-K345 WeakPolarHBondContact O-CG 2.95Å; E341-K345 PolarHBondContact O-N 2.91Å; E341-K345 VanDerWaalsContact OE1-CE 3.23Å; E341-K345 WeakPolarHBondContact OE1-CE 3.37Å; E341-K345 IonicContact OE1-NZ 2.66Å; E341-K345 PolarHBondContact OE1-NZ 3.46Å
342N97.4Very high97.1Very high123 Ų12373.6 Ų73.666%0.65838%0.381SS*.Hα-helixtrans-63.9-39.3176.8-71.2-23.4000111.8R344 K345 L346N342-R344 PolarHBondContact O-N 3.39Å; N342-K345 PolarHBondContact O-N 2.93Å; N342-L346 PolarHBondContact O-N 3.12Å
343G97.4Very high97.1Very high8 Ų878.1 Ų78.18%0.08239%0.386CS..Hα-helixtrans-57.7-46.8172.600000112M337 T340 E341 K345 L346 Y347M337-G343 CarbonylContact O-C 3.57Å; M337-G343 VanDerWaalsContact O-CA 3.29Å; M337-G343 WeakPolarHBondContact O-CA 3.5Å; T340-G343 PolarHBondContact O-N 3.39Å; T340-G343 VanDerWaalsContact OG1-CA 3.31Å; T340-G343 WeakPolarHBondContact OG1-CA 3.31Å; T340-G343 PolarHBondContact OG1-N 3.5Å; E341-G343 VanDerWaalsContact C-N 3.33Å; E341-G343 PolarHBondContact O-N 2.94Å; G343-K345 VanDerWaalsContact C-N 3.33Å; G343-K345 PolarHBondContact O-N 3.11Å; G343-L346 CarbonylContact O-C 2.76Å; G343-L346 WeakPolarHBondContact O-CB 3.11Å; G343-L346 PolarHBondContact O-N 3.26Å; G343-L346 VanDerWaalsContact O-N 3.11Å; G343-Y347 WeakPolarHBondContact O-CB 3.5Å; G343-Y347 PolarHBondContact O-N 3.49Å
344R98.1Very high97.1Very high117 Ų11774.6 Ų74.644%0.44237%0.37SS..Hα-helixtrans-65.5-39.8-178.2-74.5-170.9-62.7-84.82.8111.1M337 L338 L339 T340 E341 N342 Y347 V348M337-R344 WeakPolarHBondContact O-CA 3.06Å; M337-R344 PolarHBondContact O-N 3.19Å; L338-R344 VanDerWaalsContact O-CD 3.3Å; L338-R344 WeakPolarHBondContact O-CD 3.32Å; L338-R344 WeakPolarHBondContact O-CG 3.28Å; L338-R344 PolarHBondContact O-NH1 3.08Å; L339-R344 PolarHBondContact O-NH1 2.99Å; T340-R344 WeakPolarHBondContact O-CG 3.44Å; T340-R344 PolarHBondContact O-N 2.65Å; T340-R344 PolarHBondContact O-NH1 3.01Å; E341-R344 PolarHBondContact O-N 3.15Å; N342-R344 PolarHBondContact O-N 3.39Å; R344-Y347 WeakPolarHBondContact O-CB 3.26Å; R344-Y347 PolarHBondContact O-N 3.44Å; R344-V348 WeakPolarHBondContact O-CG2 3.5Å; R344-V348 PolarHBondContact O-N 2.97Å
345K97.8Very high97Very high91 Ų9174.8 Ų74.840%0.39637%0.371SS..Hα-helixtrans-58.5-48.2171.7-70.2174.1-173.7167.40110.4E341 N342 G343 Y347 R349E341-K345 WeakPolarHBondContact O-CG 2.95Å; E341-K345 PolarHBondContact O-N 2.91Å; E341-K345 VanDerWaalsContact OE1-CE 3.23Å; E341-K345 WeakPolarHBondContact OE1-CE 3.37Å; E341-K345 IonicContact OE1-NZ 2.66Å; E341-K345 PolarHBondContact OE1-NZ 3.46Å; N342-K345 PolarHBondContact O-N 2.93Å; G343-K345 VanDerWaalsContact C-N 3.33Å; G343-K345 PolarHBondContact O-N 3.11Å; K345-Y347 PolarHBondContact O-N 2.84Å; K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 WeakPolarHBondContact O-CG 3.43Å; K345-R349 PolarHBondContact O-N 2.88Å
346L97.7Very high97Very high83 Ų8374.8 Ų74.844%0.43537%0.37SS..Hα-helixtrans-61.6-43.1177.5-179.759.6000112.2L30 M337 N342 G343 R349 T350L30-L346 HydrophobicContact CD1-CD1 4.31Å; L30-L346 HydrophobicContact CD1-CD2 3.98Å; L30-L346 HydrophobicContact CD1-CG 3.95Å; L30-L346 HydrophobicContact CD2-CD1 4.4Å; M337-L346 HydrophobicContact CE-CD2 4.35Å; M337-L346 HydrophobicContact CE-CG 4.14Å; N342-L346 PolarHBondContact O-N 3.12Å; G343-L346 CarbonylContact O-C 2.76Å; G343-L346 WeakPolarHBondContact O-CB 3.11Å; G343-L346 PolarHBondContact O-N 3.26Å; G343-L346 VanDerWaalsContact O-N 3.11Å; L346-R349 PolarHBondContact O-N 2.78Å; L346-T350 WeakPolarHBondContact O-CB 3.36Å; L346-T350 PolarHBondContact O-N 3.35Å; L346-T350 PolarHBondContact O-OG1 2.9Å
347Y98.1Very high97Very high37 Ų3775.9 Ų75.915%0.14537%0.372CS..Hα-helixtrans-58.2-54178.5-178.2-87.5000111.9G23 P26 T334 M337 L338 G343 R344 K345 T350 W351G23-Y347 WeakPolarHBondContact CA-OH 3.39Å; G23-Y347 WeakPolarHBondContact O-CE2 3.35Å; G23-Y347 PolarHBondContact O-OH 3Å; P26-Y347 HydrophobicContact CB-CD2 3.8Å; P26-Y347 HydrophobicContact CB-CE2 3.95Å; P26-Y347 HydrophobicContact CB-CG 4.44Å; P26-Y347 HydrophobicContact CG-CD2 3.77Å; P26-Y347 HydrophobicContact CG-CE1 4.37Å; P26-Y347 HydrophobicContact CG-CE2 3.47Å; P26-Y347 VanDerWaalsContact CG-CE2 3.47Å; P26-Y347 HydrophobicContact CG-CG 4.32Å; T334-Y347 HydrophobicContact CG2-CE2 4.34Å; M337-Y347 HydrophobicContact CB-CD2 4.38Å; M337-Y347 HydrophobicContact CE-CD2 4.12Å; L338-Y347 HydrophobicContact CD2-CD1 4.23Å; L338-Y347 HydrophobicContact CD2-CD2 3.87Å; L338-Y347 HydrophobicContact CD2-CE1 4.3Å; L338-Y347 HydrophobicContact CD2-CE2 3.93Å; L338-Y347 HydrophobicContact CD2-CG 4.02Å; G343-Y347 WeakPolarHBondContact O-CB 3.5Å; G343-Y347 PolarHBondContact O-N 3.49Å; R344-Y347 WeakPolarHBondContact O-CB 3.26Å; R344-Y347 PolarHBondContact O-N 3.44Å; K345-Y347 PolarHBondContact O-N 2.84Å; Y347-T350 WeakPolarHBondContact O-CB 3.49Å; Y347-T350 PolarHBondContact O-N 3.43Å; Y347-W351 AromaticContact CD1-CD1 3.89Å; Y347-W351 AromaticContact CE1-CD1 3.44Å; Y347-W351 VanDerWaalsContact CE1-CD1 3.44Å; Y347-W351 AromaticContact CE1-NE1 3.41Å; Y347-W351 AromaticContact CZ-CD1 3.84Å; Y347-W351 AromaticContact CZ-NE1 3.36Å; Y347-W351 PolarHBondContact O-N 3.09Å; Y347-W351 VanDerWaalsContact O-N 3.12Å; Y347-W351 PolarHBondContact OH-NE1 2.84Å
348V97.8Very high96.9Very high86 Ų8675 Ų7552%0.52137%0.368SS..Hα-helixtrans-65.4-42.5179.4174.30000110.9R344 T350 W351 V352R344-V348 WeakPolarHBondContact O-CG2 3.5Å; R344-V348 PolarHBondContact O-N 2.97Å; V348-T350 VanDerWaalsContact C-N 3.27Å; V348-T350 PolarHBondContact O-N 3.42Å; V348-W351 WeakPolarHBondContact O-CB 3.29Å; V348-W351 PolarHBondContact O-N 3.44Å; V348-V352 HydrophobicContact CG1-CG2 4.42Å; V348-V352 WeakPolarHBondContact O-CG2 3.27Å; V348-V352 PolarHBondContact O-N 3.43Å
349R97.8Very high96.9Very high146 Ų14676 Ų7655%0.55137%0.367SS*.Hα-helixtrans-60.1-38.4175.8-76.2177.8177.3178-1.3112K345 L346 V352 Y353K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 WeakPolarHBondContact O-CG 3.43Å; K345-R349 PolarHBondContact O-N 2.88Å; L346-R349 PolarHBondContact O-N 2.78Å; R349-V352 PolarHBondContact O-N 2.92Å; R349-Y353 HydrophobicContact CB-CD2 3.81Å; R349-Y353 HydrophobicContact CB-CE2 4Å; R349-Y353 HydrophobicContact CG-CD2 4.13Å; R349-Y353 HydrophobicContact CG-CE2 3.78Å; R349-Y353 WeakPolarHBondContact O-CB 3.45Å; R349-Y353 VanDerWaalsContact O-CD2 3.28Å; R349-Y353 WeakPolarHBondContact O-CD2 3.26Å; R349-Y353 PolarHBondContact O-N 2.94Å
350T97.4Very high96.7Very high11 Ų1175.1 Ų75.17%0.06736%0.362CS..Iπ-helixtrans-63.9-46.9176.6-57.90000110.3P26 L30 L128 L346 Y347 V348 V352 G354P26-T350 HydrophobicContact CB-CG2 3.83Å; L30-T350 HydrophobicContact CD1-CG2 4.47Å; L30-T350 HydrophobicContact CD2-CG2 4.3Å; L30-T350 HydrophobicContact CG-CG2 4Å; L128-T350 WeakPolarHBondContact CD2-O 3.49Å; L346-T350 WeakPolarHBondContact O-CB 3.36Å; L346-T350 PolarHBondContact O-N 3.35Å; L346-T350 PolarHBondContact O-OG1 2.9Å; Y347-T350 WeakPolarHBondContact O-CB 3.49Å; Y347-T350 PolarHBondContact O-N 3.43Å; V348-T350 VanDerWaalsContact C-N 3.27Å; V348-T350 PolarHBondContact O-N 3.42Å; T350-V352 PolarHBondContact O-N 2.94Å; T350-G354 WeakPolarHBondContact O-CA 3.48Å; T350-G354 PolarHBondContact O-N 3.48Å
351W97.3Very high96.5Very high61 Ų6175.1 Ų75.123%0.23135%0.354CS..Iπ-helixtrans-54.9-51174-88.9112.4000112.6L22 A25 P26 P127 L128 Y347 V348 T355L22-W351 VanDerWaalsContact O-CZ2 3.29Å; L22-W351 WeakPolarHBondContact O-CZ2 3.33Å; A25-W351 HydrophobicContact CB-CH2 4.09Å; A25-W351 HydrophobicContact CB-CZ2 4.07Å; P26-W351 HydrophobicContact CG-CD2 4.26Å; P26-W351 HydrophobicContact CG-CG 4.09Å; P26-W351 HydrophobicContact CG-CZ2 4.38Å; P127-W351 HydrophobicContact CB-CE3 4.34Å; P127-W351 HydrophobicContact CB-CZ3 3.98Å; L128-W351 HydrophobicContact CB-CZ3 4.32Å; L128-W351 HydrophobicContact CD1-CD2 3.64Å; L128-W351 HydrophobicContact CD1-CE3 3.39Å; L128-W351 HydrophobicContact CD1-CG 4.33Å; L128-W351 HydrophobicContact CD1-CH2 3.92Å; L128-W351 HydrophobicContact CD1-CZ2 4.16Å; L128-W351 HydrophobicContact CD1-CZ3 3.53Å; L128-W351 HydrophobicContact CG-CD2 4.3Å; L128-W351 HydrophobicContact CG-CE3 3.6Å; L128-W351 HydrophobicContact CG-CZ3 3.71Å; Y347-W351 AromaticContact CD1-CD1 3.89Å; Y347-W351 AromaticContact CE1-CD1 3.44Å; Y347-W351 VanDerWaalsContact CE1-CD1 3.44Å; Y347-W351 AromaticContact CE1-NE1 3.41Å; Y347-W351 AromaticContact CZ-CD1 3.84Å; Y347-W351 AromaticContact CZ-NE1 3.36Å; Y347-W351 PolarHBondContact O-N 3.09Å; Y347-W351 VanDerWaalsContact O-N 3.12Å; Y347-W351 PolarHBondContact OH-NE1 2.84Å; V348-W351 WeakPolarHBondContact O-CB 3.29Å; V348-W351 PolarHBondContact O-N 3.44Å; W351-T355 WeakPolarHBondContact O-CB 3.2Å; W351-T355 PolarHBondContact O-N 3.32Å; W351-T355 PolarHBondContact O-OG1 3.31Å
352V97.6Very high96.2Very high73 Ų7369.7 Ų69.744%0.44233%0.329SS..Iπ-helixtrans-70.7-62.4-176176.40000110.9V348 R349 T350 T355 L356V348-V352 HydrophobicContact CG1-CG2 4.42Å; V348-V352 WeakPolarHBondContact O-CG2 3.27Å; V348-V352 PolarHBondContact O-N 3.43Å; R349-V352 PolarHBondContact O-N 2.92Å; T350-V352 PolarHBondContact O-N 2.94Å; V352-T355 PolarHBondContact O-N 2.91Å; V352-L356 HydrophobicContact CG1-CD1 4.03Å; V352-L356 VanDerWaalsContact O-CG 3.31Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.45Å
353Y96.8Very high95.6Very high139 Ų13968.8 Ų68.855%0.54532%0.324SS..Iπ-helixtrans-71.1-38-174.2-60.9-58000112.4R349 T355 L356 L357R349-Y353 HydrophobicContact CB-CD2 3.81Å; R349-Y353 HydrophobicContact CB-CE2 4Å; R349-Y353 HydrophobicContact CG-CD2 4.13Å; R349-Y353 HydrophobicContact CG-CE2 3.78Å; R349-Y353 WeakPolarHBondContact O-CB 3.45Å; R349-Y353 VanDerWaalsContact O-CD2 3.28Å; R349-Y353 WeakPolarHBondContact O-CD2 3.26Å; R349-Y353 PolarHBondContact O-N 2.94Å; Y353-T355 VanDerWaalsContact C-N 3.27Å; Y353-T355 PolarHBondContact O-N 3.48Å; Y353-L356 PolarHBondContact O-N 2.97Å; Y353-L357 VanDerWaalsContact O-CB 3.27Å; Y353-L357 WeakPolarHBondContact O-CB 3.35Å; Y353-L357 WeakPolarHBondContact O-CG 3.31Å; Y353-L357 PolarHBondContact O-N 3.25Å
354G95.5Very high95Very high10 Ų1074.2 Ų74.210%0.10335%0.35CS..Iπ-helixtrans-61.8-37.4175.100000112T350 G358T350-G354 WeakPolarHBondContact O-CA 3.48Å; T350-G354 PolarHBondContact O-N 3.48Å; G354-G358 PolarHBondContact O-N 3.02Å
355T96.2Very high93.7Very high13 Ų1371.7 Ų71.78%0.0835%0.35CS..Hα-helixtrans-68.8-47.8174.5-63.90000111.8P127 L128 W351 V352 Y353 L357 G358 W359P127-T355 WeakPolarHBondContact CA-OG1 3.09Å; P127-T355 HydrophobicContact CB-CG2 3.85Å; P127-T355 WeakPolarHBondContact CB-OG1 3.18Å; P127-T355 HydrophobicContact CG-CG2 4.28Å; L128-T355 PolarHBondContact N-OG1 2.93Å; W351-T355 WeakPolarHBondContact O-CB 3.2Å; W351-T355 PolarHBondContact O-N 3.32Å; W351-T355 PolarHBondContact O-OG1 3.31Å; V352-T355 PolarHBondContact O-N 2.91Å; Y353-T355 VanDerWaalsContact C-N 3.27Å; Y353-T355 PolarHBondContact O-N 3.48Å; T355-L357 VanDerWaalsContact C-N 3.35Å; T355-L357 PolarHBondContact O-N 2.81Å; T355-G358 PolarHBondContact O-N 2.84Å; T355-W359 HydrophobicContact CG2-CD2 3.82Å; T355-W359 VanDerWaalsContact CG2-CE2 3.43Å; T355-W359 HydrophobicContact CG2-CE3 4.27Å; T355-W359 HydrophobicContact CG2-CG 4.37Å; T355-W359 HydrophobicContact CG2-CH2 4.05Å; T355-W359 HydrophobicContact CG2-CZ2 3.57Å; T355-W359 HydrophobicContact CG2-CZ3 4.37Å; T355-W359 PolarHBondContact O-N 3.39Å
356L96.5Very high91.9Very high93 Ų9371.4 Ų71.449%0.48736%0.357SS..Hα-helixtrans-61.1-43.7179-68.9173.3000111.8V352 Y353 W359 L360V352-L356 HydrophobicContact CG1-CD1 4.03Å; V352-L356 VanDerWaalsContact O-CG 3.31Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 3.45Å; Y353-L356 PolarHBondContact O-N 2.97Å; L356-W359 HydrophobicContact CD2-CE3 4.38Å; L356-W359 PolarHBondContact O-N 3.5Å; L356-L360 WeakPolarHBondContact O-CB 3.29Å; L356-L360 PolarHBondContact O-N 2.84Å
357L94.3Very high91.6Very high97 Ų9770.8 Ų70.851%0.50835%0.353SS..Hα-helixtrans-63.5-42.5174.7-71.5172000111.5W131 Y353 T355 L360 W361W131-L357 HydrophobicContact CH2-CB 4.32Å; W131-L357 HydrophobicContact CZ3-CB 4.17Å; Y353-L357 VanDerWaalsContact O-CB 3.27Å; Y353-L357 WeakPolarHBondContact O-CB 3.35Å; Y353-L357 WeakPolarHBondContact O-CG 3.31Å; Y353-L357 PolarHBondContact O-N 3.25Å; T355-L357 VanDerWaalsContact C-N 3.35Å; T355-L357 PolarHBondContact O-N 2.81Å; L357-L360 PolarHBondContact O-N 2.96Å; L357-W361 VanDerWaalsContact O-CB 3.29Å; L357-W361 WeakPolarHBondContact O-CB 3.3Å; L357-W361 PolarHBondContact O-N 3.01Å
358G94Very high91.2Very high2 Ų272.6 Ų72.62%0.02136%0.364CS..Hα-helixtrans-60.6-46.1175.500000112.6W131 G354 T355 W361 V362W131-G358 VanDerWaalsContact CD2-CA 3.48Å; G354-G358 PolarHBondContact O-N 3.02Å; T355-G358 PolarHBondContact O-N 2.84Å; G358-W361 PolarHBondContact O-N 3Å; G358-V362 WeakPolarHBondContact O-CB 3.44Å; G358-V362 VanDerWaalsContact O-CG2 3.29Å; G358-V362 WeakPolarHBondContact O-CG2 3.33Å; G358-V362 PolarHBondContact O-N 3.32Å
359W95.2Very high90.9Very high98 Ų9871.8 Ų71.837%0.37136%0.355SS..Hα-helixtrans-64.2-41.6176.4-70-6.8000112.3W125 P127 T355 L356 N363W125-W359 HydrophobicContact CE3-CB 4.28Å; W125-W359 AromaticContact CE3-CD1 3.81Å; W125-W359 AromaticContact CE3-CG 3.96Å; W125-W359 HydrophobicContact CE3-CG 3.96Å; W125-W359 HydrophobicContact CZ3-CB 4.11Å; W125-W359 HydrophobicContact CZ3-CG 4.28Å; W125-W359 PolarHBondContact O-NE1 3.24Å; P127-W359 HydrophobicContact CG-CZ2 4.44Å; T355-W359 HydrophobicContact CG2-CD2 3.82Å; T355-W359 VanDerWaalsContact CG2-CE2 3.43Å; T355-W359 HydrophobicContact CG2-CE3 4.27Å; T355-W359 HydrophobicContact CG2-CG 4.37Å; T355-W359 HydrophobicContact CG2-CH2 4.05Å; T355-W359 HydrophobicContact CG2-CZ2 3.57Å; T355-W359 HydrophobicContact CG2-CZ3 4.37Å; T355-W359 PolarHBondContact O-N 3.39Å; L356-W359 HydrophobicContact CD2-CE3 4.38Å; L356-W359 PolarHBondContact O-N 3.5Å; W359-N363 PolarHBondContact O-N 3.47Å; W359-N363 VanDerWaalsContact O-N 3.14Å; W359-N363 PolarHBondContact O-ND2 3.06Å
360L94.4Very high90.5Very high101 Ų10167.5 Ų67.553%0.52934%0.344SS..Hα-helixtrans-60.9-47.3174.1-179.763.5000111L356 L357 V362 N363 I364L356-L360 WeakPolarHBondContact O-CB 3.29Å; L356-L360 PolarHBondContact O-N 2.84Å; L357-L360 PolarHBondContact O-N 2.96Å; L360-V362 PolarHBondContact O-N 3.35Å; L360-N363 WeakPolarHBondContact O-CB 3.44Å; L360-N363 PolarHBondContact O-N 2.9Å; L360-I364 HydrophobicContact CD1-CD1 3.95Å; L360-I364 HydrophobicContact CG-CD1 3.98Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 3.2Å
361W92.8Very high90Very high73 Ų7371 Ų7128%0.27736%0.361SS..Hα-helixtrans-59.9-47.6-179.6-177.285.9000111.9W131 S134 Q135 L357 G358 N363 I364 S365W131-W361 HydrophobicContact CB-CD2 4.44Å; W131-W361 HydrophobicContact CB-CE3 3.73Å; W131-W361 HydrophobicContact CB-CZ3 4.37Å; W131-W361 HydrophobicContact CE3-CB 4.14Å; W131-W361 HydrophobicContact CE3-CG 4.39Å; S134-W361 VanDerWaalsContact CB-CZ3 3.41Å; S134-W361 WeakPolarHBondContact OG-CH2 3.26Å; Q135-W361 VanDerWaalsContact NE2-CH2 3.29Å; L357-W361 VanDerWaalsContact O-CB 3.29Å; L357-W361 WeakPolarHBondContact O-CB 3.3Å; L357-W361 PolarHBondContact O-N 3.01Å; G358-W361 PolarHBondContact O-N 3Å; W361-N363 VanDerWaalsContact C-N 3.28Å; W361-N363 PolarHBondContact O-N 3.36Å; W361-I364 PolarHBondContact O-N 3.43Å; W361-I364 VanDerWaalsContact O-N 3.1Å; W361-S365 WeakPolarHBondContact CH2-O 3.18Å; W361-S365 WeakPolarHBondContact CZ2-O 3.36Å; W361-S365 VanDerWaalsContact CZ3-O 3.3Å; W361-S365 WeakPolarHBondContact CZ3-O 3.34Å; W361-S365 PolarHBondContact O-N 3.06Å
362V89.1Confident89.6Confident2 Ų271.7 Ų71.71%0.01237%0.37CS..Hα-helixtrans-65.6-28.5179.9169.40000112.8K124 W131 G358 L360 P366K124-V362 HydrophobicContact CB-CG1 3.57Å; K124-V362 HydrophobicContact CB-CG2 4.41Å; K124-V362 HydrophobicContact CD-CG1 3.4Å; K124-V362 HydrophobicContact CG-CG1 3.41Å; K124-V362 VanDerWaalsContact CG-CG1 3.41Å; W131-V362 HydrophobicContact CB-CG2 3.93Å; G358-V362 WeakPolarHBondContact O-CB 3.44Å; G358-V362 VanDerWaalsContact O-CG2 3.29Å; G358-V362 WeakPolarHBondContact O-CG2 3.33Å; G358-V362 PolarHBondContact O-N 3.32Å; L360-V362 PolarHBondContact O-N 3.35Å; V362-P366 WeakPolarHBondContact O-CA 3.31Å; V362-P366 WeakPolarHBondContact O-CB 3.23Å
363N85.4Confident89Confident104 Ų10471.6 Ų71.656%0.55637%0.365SS*.Hα-helixtrans-67.8-37.7172.5-86.2-70.9000112.2W125 W359 L360 W361W125-N363 VanDerWaalsContact CH2-ND2 3.26Å; W125-N363 WeakPolarHBondContact CH2-ND2 3.22Å; W125-N363 WeakPolarHBondContact CH2-OD1 3.42Å; W125-N363 WeakPolarHBondContact CZ3-ND2 3.47Å; W359-N363 PolarHBondContact O-N 3.47Å; W359-N363 VanDerWaalsContact O-N 3.14Å; W359-N363 PolarHBondContact O-ND2 3.06Å; L360-N363 WeakPolarHBondContact O-CB 3.44Å; L360-N363 PolarHBondContact O-N 2.9Å; W361-N363 VanDerWaalsContact C-N 3.28Å; W361-N363 PolarHBondContact O-N 3.36Å
364I84.6Confident88.4Confident122 Ų12266.4 Ų66.463%0.62635%0.351SS*.Hα-helixtrans-84.9-38.6-174.8-61.7166.6000111.4L360 W361L360-I364 HydrophobicContact CD1-CD1 3.95Å; L360-I364 HydrophobicContact CG-CD1 3.98Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 3.2Å; W361-I364 PolarHBondContact O-N 3.43Å; W361-I364 VanDerWaalsContact O-N 3.1Å
365S71.8Confident87.8Confident63 Ų6371.1 Ų71.144%0.44137%0.372SS..  trans-141.872-174.3-70.10000111.2W361W361-S365 WeakPolarHBondContact CH2-O 3.18Å; W361-S365 WeakPolarHBondContact CZ2-O 3.36Å; W361-S365 VanDerWaalsContact CZ3-O 3.3Å; W361-S365 WeakPolarHBondContact CZ3-O 3.34Å; W361-S365 PolarHBondContact O-N 3.06Å
366P59.1Low87Confident85 Ų8576.4 Ų76.455%0.55240%0.398SS*.  trans-62.60-175.222.6-32.2000115S134 V362S134-P366 PolarHBondContact OG-OXT 2.66Å; V362-P366 WeakPolarHBondContact O-CA 3.31Å; V362-P366 WeakPolarHBondContact O-CB 3.23Å

Retrieved 366 of 366 residues in 104.6 ms (Link to these results)

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