A0A3Q0KCD8_SCHMA Loading...

Exonuclease 1

5'->3' double-stranded DNA exonuclease which may also possess a cryptic 3'->5' double-stranded DNA exonuclease activity. Functions in DNA mismatch repair.

AlphaFold DB , UniProt , Accession A0A3Q0KCD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 828 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
1M76.2Confident90.6Very high106 Ų10662.1 Ų62.152%0.52233%0.33SS..  0-1440-73.9165.9-177.300106.1E170 D171M1-E170 PolarHBondContact N-O 3.31Å; M1-D171 VanDerWaalsContact C-OD2 3.24Å; M1-D171 WeakPolarHBondContact CA-OD2 3.41Å; M1-D171 HydrophobicContact CB-CB 4.1Å; M1-D171 WeakPolarHBondContact CB-OD2 2.86Å
2G84.2Confident90.2Very high19 Ų1967.1 Ų67.120%0.19636%0.357CS..  trans60.2-153.9173.700000118.3K4 D171 D173G2-K4 PolarHBondContact O-N 3.3Å; G2-D171 WeakPolarHBondContact CA-OD1 3.18Å; G2-D171 VanDerWaalsContact N-CG 3.29Å; G2-D171 PolarHBondContact N-OD1 3.38Å; G2-D171 VanDerWaalsContact N-OD1 3.16Å; G2-D171 PolarHBondContact N-OD2 3.31Å; G2-D173 WeakPolarHBondContact CA-OD1 3.2Å
3I92.5Very high90Very high5 Ų562 Ų623%0.02633%0.33CS..SBendtrans-56.4120.4-173.2-66.2150.5000112.4G5 L6 S172 D173 L176 G225 C226 L237I3-G5 PolarHBondContact O-N 3.33Å; I3-G5 VanDerWaalsContact O-N 3.09Å; I3-L6 HydrophobicContact CB-CB 4.11Å; I3-L6 HydrophobicContact CB-CD2 4.15Å; I3-L6 HydrophobicContact CD1-CD2 3.95Å; I3-L6 HydrophobicContact CG2-CB 4Å; I3-L6 HydrophobicContact CG2-CD2 4.4Å; I3-L6 PolarHBondContact O-N 3.16Å; I3-S172 PolarHBondContact N-OG 3.37Å; I3-D173 VanDerWaalsContact CD1-OD1 3.31Å; I3-D173 WeakPolarHBondContact CD1-OD1 3.48Å; I3-D173 WeakPolarHBondContact CG1-OD1 3.49Å; I3-D173 PolarHBondContact N-OD1 3.09Å; I3-L176 HydrophobicContact CD1-CD1 3.38Å; I3-L176 HydrophobicContact CD1-CD2 3.59Å; I3-L176 HydrophobicContact CD1-CG 4.13Å; I3-G225 WeakPolarHBondContact CG1-O 3.18Å; I3-C226 HydrophobicContact CD1-CB 4.14Å; I3-C226 HydrophobicContact CG1-CB 3.75Å; I3-L237 HydrophobicContact CG2-CD1 4.43Å; I3-L237 HydrophobicContact CG2-CD2 4.05Å
4K93.1Very high90Very high185 Ų18559.9 Ų59.980%0.80432%0.323SS*.THydrogen-bonded Turntrans-63.2111.8-174.6-67.2164.5-172.2157.20111.2G2G2-K4 PolarHBondContact O-N 3.3Å
5G93.9Very high90Very high39 Ų3956.5 Ų56.540%0.40231%0.306SS..THydrogen-bonded Turntrans90.35.3175.300000115.4I3 P8 F9I3-G5 PolarHBondContact O-N 3.33Å; I3-G5 VanDerWaalsContact O-N 3.09Å; G5-P8 WeakPolarHBondContact O-CD 3.38Å; G5-F9 WeakPolarHBondContact O-CB 3.43Å; G5-F9 PolarHBondContact O-N 3.04Å
6L94.6Very high90.1Very high1 Ų160.1 Ų60.11%0.00533%0.333CS..Hα-helixtrans-64.6-45.3-177.7-173.553.6000113.1I3 F9 L10 L176 F217 M220 L237I3-L6 HydrophobicContact CB-CB 4.11Å; I3-L6 HydrophobicContact CB-CD2 4.15Å; I3-L6 HydrophobicContact CD1-CD2 3.95Å; I3-L6 HydrophobicContact CG2-CB 4Å; I3-L6 HydrophobicContact CG2-CD2 4.4Å; I3-L6 PolarHBondContact O-N 3.16Å; L6-F9 HydrophobicContact CD1-CD1 4.45Å; L6-F9 WeakPolarHBondContact O-CB 3.48Å; L6-F9 PolarHBondContact O-N 3.46Å; L6-F9 VanDerWaalsContact O-N 3.17Å; L6-L10 HydrophobicContact CD1-CD1 3.9Å; L6-L10 HydrophobicContact CD1-CG 4.02Å; L6-L10 HydrophobicContact CG-CD1 3.97Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 WeakPolarHBondContact O-CG 3Å; L6-L10 PolarHBondContact O-N 3.18Å; L6-L176 HydrophobicContact CD2-CD1 3.86Å; L6-F217 HydrophobicContact CD1-CE2 4.27Å; L6-F217 HydrophobicContact CD1-CZ 4.09Å; L6-F217 HydrophobicContact CD2-CZ 4.24Å; L6-M220 HydrophobicContact CD1-CE 4.26Å; L6-L237 HydrophobicContact CB-CD1 4.24Å; L6-L237 HydrophobicContact CD1-CD1 4.25Å; L6-L237 HydrophobicContact CD1-CD2 4.1Å
7L92.7Very high90.2Very high40 Ų4057.4 Ų57.421%0.20932%0.318CS..Hα-helixtrans-64.2-42.2177.3-60-180000113.5F9 L10 K11 L175 F184L7-F9 VanDerWaalsContact C-N 3.35Å; L7-F9 PolarHBondContact O-N 3.4Å; L7-L10 CarbonylContact O-C 3.44Å; L7-L10 PolarHBondContact O-N 2.99Å; L7-K11 PolarHBondContact O-N 2.91Å; L7-L175 HydrophobicContact CD2-CD1 4.42Å; L7-F184 HydrophobicContact CD1-CB 4.33Å; L7-F184 HydrophobicContact CD1-CD1 3.73Å; L7-F184 HydrophobicContact CD1-CD2 4.48Å; L7-F184 HydrophobicContact CD1-CE1 4.13Å; L7-F184 HydrophobicContact CD1-CG 3.92Å; L7-F184 HydrophobicContact CD2-CD1 4.19Å; L7-F184 HydrophobicContact CD2-CD2 3.87Å; L7-F184 HydrophobicContact CD2-CE1 3.98Å; L7-F184 HydrophobicContact CD2-CE2 3.65Å; L7-F184 HydrophobicContact CD2-CG 4.13Å; L7-F184 HydrophobicContact CD2-CZ 3.71Å
8P93.8Very high90.5Very high100 Ų10056.8 Ų56.865%0.64931%0.314SS*.Hα-helixtrans-57.5-39.9167.5-29.235.1000114.8G5 L10 K11G5-P8 WeakPolarHBondContact O-CD 3.38Å; P8-L10 VanDerWaalsContact C-N 3.33Å; P8-K11 WeakPolarHBondContact O-CB 3.4Å; P8-K11 PolarHBondContact O-N 3.19Å
9F93.9Very high90.7Very high38 Ų3853.8 Ų53.817%0.16730%0.298CS..Hα-helixtrans-65.4-36.9176.3179.4-91000111.9G5 L6 L7 K11 C204 M220 L237 N238 A241G5-F9 WeakPolarHBondContact O-CB 3.43Å; G5-F9 PolarHBondContact O-N 3.04Å; L6-F9 HydrophobicContact CD1-CD1 4.45Å; L6-F9 WeakPolarHBondContact O-CB 3.48Å; L6-F9 PolarHBondContact O-N 3.46Å; L6-F9 VanDerWaalsContact O-N 3.17Å; L7-F9 VanDerWaalsContact C-N 3.35Å; L7-F9 PolarHBondContact O-N 3.4Å; F9-K11 VanDerWaalsContact C-N 3.32Å; F9-K11 PolarHBondContact O-N 3.4Å; F9-C204 HydrophobicContact CE1-CB 4.25Å; F9-C204 VanDerWaalsContact CZ-O 3.27Å; F9-C204 WeakPolarHBondContact CZ-O 3.41Å; F9-M220 HydrophobicContact CD1-CE 4.16Å; F9-M220 HydrophobicContact CE1-CE 3.64Å; F9-M220 HydrophobicContact CE1-SD 3.95Å; F9-M220 HydrophobicContact CZ-CE 4.32Å; F9-M220 HydrophobicContact CZ-SD 4.05Å; F9-L237 HydrophobicContact CB-CD1 4.05Å; F9-L237 HydrophobicContact CD2-CB 4.12Å; F9-L237 HydrophobicContact CE2-CB 4.4Å; F9-L237 HydrophobicContact CG-CB 4.4Å; F9-L237 HydrophobicContact CG-CD1 4.37Å; F9-N238 WeakPolarHBondContact CD2-OD1 3.41Å; F9-N238 WeakPolarHBondContact CE2-OD1 3.4Å; F9-A241 HydrophobicContact CE2-CB 4.5Å; F9-A241 HydrophobicContact CZ-CB 3.99Å
10L91.8Very high90.8Very high0 Ų053.9 Ų53.90%031%0.306CS..THydrogen-bonded Turntrans-87.114.2178.4-64.1178.7000114.6L6 L7 P8 N12 A13 S14 L175 V195 I201 C204 F217L6-L10 HydrophobicContact CD1-CD1 3.9Å; L6-L10 HydrophobicContact CD1-CG 4.02Å; L6-L10 HydrophobicContact CG-CD1 3.97Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 WeakPolarHBondContact O-CG 3Å; L6-L10 PolarHBondContact O-N 3.18Å; L7-L10 CarbonylContact O-C 3.44Å; L7-L10 PolarHBondContact O-N 2.99Å; P8-L10 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.35Å; L10-N12 VanDerWaalsContact O-N 3.09Å; L10-A13 HydrophobicContact CB-CB 4.49Å; L10-A13 CarbonylContact O-C 3.47Å; L10-A13 WeakPolarHBondContact O-CA 3.42Å; L10-A13 PolarHBondContact O-N 3.12Å; L10-S14 PolarHBondContact O-N 3.25Å; L10-L175 HydrophobicContact CD1-CD1 3.65Å; L10-V195 HydrophobicContact CD1-CG1 4.49Å; L10-I201 HydrophobicContact CD2-CG1 4.49Å; L10-I201 HydrophobicContact CD2-CG2 3.99Å; L10-C204 HydrophobicContact CD2-CB 3.91Å; L10-F217 HydrophobicContact CD1-CE2 4.35Å; L10-F217 HydrophobicContact CD1-CZ 4.03Å; L10-F217 HydrophobicContact CD2-CE2 4.18Å
11K90Very high90.7Very high150 Ų15056.3 Ų56.365%0.65232%0.318SS*.G310 helixtrans-50.4-40.6-177.1-175.4-173.1175.8-169.30112.9L7 P8 F9 A13 S14L7-K11 PolarHBondContact O-N 2.91Å; P8-K11 WeakPolarHBondContact O-CB 3.4Å; P8-K11 PolarHBondContact O-N 3.19Å; F9-K11 VanDerWaalsContact C-N 3.32Å; F9-K11 PolarHBondContact O-N 3.4Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 2.95Å; K11-S14 PolarHBondContact O-N 3.43Å; K11-S14 PolarHBondContact O-OG 3.44Å
12N86.3Confident91.4Very high122 Ų12251.5 Ų51.565%0.65229%0.294SS*.G310 helixtrans-75.5-20.5-178-62.7-5.5000113.2L10 S14 R448L10-N12 PolarHBondContact O-N 3.35Å; L10-N12 VanDerWaalsContact O-N 3.09Å; N12-S14 VanDerWaalsContact C-N 3.32Å; N12-R448 PolarHBondContact O-NH1 3.12Å
13A87.2Confident91.8Very high1 Ų152.3 Ų52.31%0.00830%0.297CS..G310 helixtrans-89.24.4172.700000113.5L10 K11 S199 G200 I201L10-A13 HydrophobicContact CB-CB 4.49Å; L10-A13 CarbonylContact O-C 3.47Å; L10-A13 WeakPolarHBondContact O-CA 3.42Å; L10-A13 PolarHBondContact O-N 3.12Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 2.95Å; A13-S199 VanDerWaalsContact CA-O 3.28Å; A13-S199 WeakPolarHBondContact CA-O 3.37Å; A13-G200 VanDerWaalsContact CB-C 3.48Å; A13-I201 HydrophobicContact CB-CG1 3.96Å
14S89.6Confident91.8Very high32 Ų3252.6 Ų52.622%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-108.6145.5-177.377.90000112L10 K11 N12 L194L10-S14 PolarHBondContact O-N 3.25Å; K11-S14 PolarHBondContact O-N 3.43Å; K11-S14 PolarHBondContact O-OG 3.44Å; N12-S14 VanDerWaalsContact C-N 3.32Å; S14-L194 CarbonylContact C-O 3.56Å; S14-L194 VanDerWaalsContact CA-O 3.3Å; S14-L194 WeakPolarHBondContact CA-O 3.4Å
15A89.5Confident91.8Very high9 Ų944.5 Ų44.57%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-130.1137.4176.300000110.5V193 L194 I454A15-V193 CarbonylContact O-C 3.54Å; A15-V193 WeakPolarHBondContact O-CA 3.1Å; A15-L194 PolarHBondContact N-O 2.84Å; A15-L194 PolarHBondContact O-N 2.64Å; A15-I454 HydrophobicContact CB-CD1 4.22Å
16P92.1Very high91.9Very high114 Ų11442.7 Ų42.774%0.7425%0.247SC*.EExtended strand (participates in β ladder)trans-68.1144.9167.331.4-33.8000109.8G192P16-G192 WeakPolarHBondContact CA-O 3.25Å
17I92.7Very high92Very high14 Ų1442.7 Ų42.77%0.07225%0.246CC..EExtended strand (participates in β ladder)trans-139163.3178.458.6157.1000111.3F22 V183 S191 G192 L194 I454I17-F22 HydrophobicContact CB-CE2 4.03Å; I17-F22 HydrophobicContact CD1-CD2 4.24Å; I17-F22 HydrophobicContact CD1-CE2 3.48Å; I17-F22 VanDerWaalsContact CD1-CE2 3.48Å; I17-F22 HydrophobicContact CD1-CZ 3.91Å; I17-F22 HydrophobicContact CG1-CE2 4.37Å; I17-F22 HydrophobicContact CG2-CE2 4.1Å; I17-F22 HydrophobicContact CG2-CZ 4.36Å; I17-V183 HydrophobicContact CD1-CB 4.41Å; I17-V183 HydrophobicContact CD1-CG1 3.87Å; I17-V183 HydrophobicContact CD1-CG2 3.61Å; I17-S191 WeakPolarHBondContact O-CA 3.49Å; I17-G192 PolarHBondContact N-O 3.21Å; I17-G192 PolarHBondContact O-N 3.37Å; I17-G192 VanDerWaalsContact O-N 3.09Å; I17-L194 HydrophobicContact CD1-CB 4.37Å; I17-L194 HydrophobicContact CG1-CB 4.46Å; I17-L194 HydrophobicContact CG2-CB 3.81Å; I17-L194 HydrophobicContact CG2-CD2 4.46Å; I17-I454 HydrophobicContact CG2-CD1 3.55Å
18N94.9Very high92.3Very high48 Ų4840.8 Ų40.826%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-113.6144.6155-167.5-81.7000110.8A20 D21 S189 G190N18-A20 PolarHBondContact O-N 3.29Å; N18-A20 VanDerWaalsContact OD1-CB 3.32Å; N18-A20 WeakPolarHBondContact OD1-CB 3.4Å; N18-A20 PolarHBondContact OD1-N 3.26Å; N18-D21 PolarHBondContact N-OD2 2.97Å; N18-D21 VanDerWaalsContact N-OD2 3.11Å; N18-D21 VanDerWaalsContact O-CB 3.32Å; N18-D21 WeakPolarHBondContact O-CB 3.47Å; N18-D21 PolarHBondContact O-N 3.1Å; N18-D21 VanDerWaalsContact O-N 3.12Å; N18-S189 PolarHBondContact ND2-O 3.05Å; N18-G190 CarbonylContact C-O 3.56Å; N18-G190 WeakPolarHBondContact CA-O 3.27Å
19L94.1Very high92.6Very high0 Ų036 Ų360%021%0.205CC..G310 helixtrans-62.2-24.1179.9-168.468.5000113.5D21 F22 L65 M66 C69 V71 F166 L186 G190L19-D21 PolarHBondContact O-N 3.46Å; L19-F22 PolarHBondContact O-N 3.32Å; L19-F22 VanDerWaalsContact O-N 3.13Å; L19-L65 HydrophobicContact CD2-CD2 4.16Å; L19-L65 HydrophobicContact CD2-CG 3.91Å; L19-M66 HydrophobicContact CD2-CB 4.47Å; L19-M66 HydrophobicContact CD2-CG 3.81Å; L19-C69 HydrophobicContact CB-CB 4.49Å; L19-C69 HydrophobicContact CD2-CB 4.24Å; L19-C69 HydrophobicContact CG-CB 4.04Å; L19-V71 HydrophobicContact CD1-CG2 4.1Å; L19-V71 HydrophobicContact CG-CG2 4.13Å; L19-F166 HydrophobicContact CD1-CE2 4.3Å; L19-F166 HydrophobicContact CD1-CZ 3.99Å; L19-L186 HydrophobicContact CB-CD1 4.49Å; L19-G190 PolarHBondContact N-O 3.39Å
20A92.9Very high92.8Very high55 Ų5534.6 Ų34.646%0.45520%0.2SC..G310 helixtrans-61.8-29.5174.200000113.2N18 F22 S23N18-A20 PolarHBondContact O-N 3.29Å; N18-A20 VanDerWaalsContact OD1-CB 3.32Å; N18-A20 WeakPolarHBondContact OD1-CB 3.4Å; N18-A20 PolarHBondContact OD1-N 3.26Å; A20-F22 PolarHBondContact O-N 3.14Å; A20-S23 PolarHBondContact O-N 3.44Å
21D89.4Confident93Very high104 Ų10434.6 Ų34.656%0.55620%0.2SC*.G310 helixtrans-62.8-25.2176.8-55.2-41.8000111.6N18 L19N18-D21 PolarHBondContact N-OD2 2.97Å; N18-D21 VanDerWaalsContact N-OD2 3.11Å; N18-D21 VanDerWaalsContact O-CB 3.32Å; N18-D21 WeakPolarHBondContact O-CB 3.47Å; N18-D21 PolarHBondContact O-N 3.1Å; N18-D21 VanDerWaalsContact O-N 3.12Å; L19-D21 PolarHBondContact O-N 3.46Å
22F90.9Very high93.3Very high5 Ų529.6 Ų29.62%0.02218%0.177CC..G310 helixtrans-9316.3-178.3-65.3-101.2000113.3I17 L19 A20 G24 Y25 V71 F166 L194 L446I17-F22 HydrophobicContact CB-CE2 4.03Å; I17-F22 HydrophobicContact CD1-CD2 4.24Å; I17-F22 HydrophobicContact CD1-CE2 3.48Å; I17-F22 VanDerWaalsContact CD1-CE2 3.48Å; I17-F22 HydrophobicContact CD1-CZ 3.91Å; I17-F22 HydrophobicContact CG1-CE2 4.37Å; I17-F22 HydrophobicContact CG2-CE2 4.1Å; I17-F22 HydrophobicContact CG2-CZ 4.36Å; L19-F22 PolarHBondContact O-N 3.32Å; L19-F22 VanDerWaalsContact O-N 3.13Å; A20-F22 PolarHBondContact O-N 3.14Å; F22-G24 PolarHBondContact O-N 2.94Å; F22-G24 VanDerWaalsContact O-N 3.15Å; F22-Y25 HydrophobicContact CB-CD2 4.29Å; F22-Y25 HydrophobicContact CB-CG 4.23Å; F22-Y25 AromaticContact CD1-CD1 3.95Å; F22-Y25 HydrophobicContact CD1-CD1 3.95Å; F22-Y25 HydrophobicContact CD1-CE1 4.2Å; F22-Y25 HydrophobicContact CD1-CG 4.23Å; F22-Y25 VanDerWaalsContact O-CB 3.25Å; F22-Y25 WeakPolarHBondContact O-CB 3.41Å; F22-Y25 WeakPolarHBondContact O-CD2 3.49Å; F22-Y25 PolarHBondContact O-N 3.32Å; F22-V71 HydrophobicContact CB-CG2 4.02Å; F22-V71 WeakPolarHBondContact O-CG2 3.28Å; F22-F166 HydrophobicContact CB-CE1 3.95Å; F22-F166 HydrophobicContact CB-CZ 4.11Å; F22-F166 AromaticContact CD1-CD1 3.71Å; F22-F166 HydrophobicContact CD1-CD1 3.71Å; F22-F166 AromaticContact CD1-CE1 3.38Å; F22-F166 HydrophobicContact CD1-CE1 3.38Å; F22-F166 AromaticContact CD1-CZ 3.94Å; F22-F166 HydrophobicContact CD1-CZ 3.94Å; F22-F166 HydrophobicContact CE1-CD1 4.09Å; F22-F166 HydrophobicContact CE1-CE1 4.16Å; F22-F166 AromaticContact CG-CE1 3.9Å; F22-F166 HydrophobicContact CG-CE1 3.9Å; F22-F166 HydrophobicContact CG-CZ 4.08Å; F22-L194 HydrophobicContact CZ-CD2 4.42Å; F22-L446 HydrophobicContact CD1-CD1 4.36Å; F22-L446 HydrophobicContact CE1-CD1 3.5Å; F22-L446 VanDerWaalsContact CE1-CD1 3.5Å; F22-L446 HydrophobicContact CZ-CD1 3.88Å
23S92.1Very high93.7Very high36 Ų3624 Ų2425%0.25215%0.148SC..THydrogen-bonded Turntrans-54.2121.3172.2173.40000111.5A20 C69 N70 R424A20-S23 PolarHBondContact O-N 3.44Å; S23-C69 VanDerWaalsContact CA-O 3.25Å; S23-C69 WeakPolarHBondContact CA-O 3.44Å; S23-C69 VanDerWaalsContact CB-O 3.3Å; S23-C69 WeakPolarHBondContact CB-O 3.3Å; S23-N70 PolarHBondContact OG-ND2 3.14Å; S23-R424 PolarHBondContact O-NH1 3.12Å
24G92.1Very high94Very high11 Ų1124.1 Ų24.111%0.11315%0.148CC..THydrogen-bonded Turntrans105.2-7.1-17400000115.5F22 N70F22-G24 PolarHBondContact O-N 2.94Å; F22-G24 VanDerWaalsContact O-N 3.15Å; G24-N70 PolarHBondContact N-ND2 3.37Å; G24-N70 PolarHBondContact N-O 3.17Å
25Y93.9Very high94.3Very high16 Ų1622.6 Ų22.66%0.06314%0.137CC..  trans-99.6164.4-172.3-68.2-124.2000112.6F22 V71 K72 D165 P425 F444 L446F22-Y25 HydrophobicContact CB-CD2 4.29Å; F22-Y25 HydrophobicContact CB-CG 4.23Å; F22-Y25 AromaticContact CD1-CD1 3.95Å; F22-Y25 HydrophobicContact CD1-CD1 3.95Å; F22-Y25 HydrophobicContact CD1-CE1 4.2Å; F22-Y25 HydrophobicContact CD1-CG 4.23Å; F22-Y25 VanDerWaalsContact O-CB 3.25Å; F22-Y25 WeakPolarHBondContact O-CB 3.41Å; F22-Y25 WeakPolarHBondContact O-CD2 3.49Å; F22-Y25 PolarHBondContact O-N 3.32Å; Y25-V71 WeakPolarHBondContact O-CA 3.09Å; Y25-K72 PolarHBondContact O-N 3.11Å; Y25-D165 WeakPolarHBondContact CA-OD2 3.25Å; Y25-D165 HydrophobicContact CD1-CB 3.81Å; Y25-P425 HydrophobicContact CD1-CG 3.77Å; Y25-P425 HydrophobicContact CD2-CG 4.05Å; Y25-P425 HydrophobicContact CE1-CG 3.96Å; Y25-P425 HydrophobicContact CE2-CG 4.24Å; Y25-P425 HydrophobicContact CG-CG 3.83Å; Y25-F444 HydrophobicContact CD1-CD1 4.5Å; Y25-F444 AromaticContact CE1-CD1 3.77Å; Y25-F444 HydrophobicContact CE1-CD1 3.77Å; Y25-F444 AromaticContact CE1-CE1 3.45Å; Y25-F444 HydrophobicContact CE1-CE1 3.45Å; Y25-F444 VanDerWaalsContact CE1-CE1 3.45Å; Y25-F444 HydrophobicContact CE1-CZ 4.42Å; Y25-F444 AromaticContact CZ-CE1 3.65Å; Y25-F444 VanDerWaalsContact OH-CE1 3.3Å; Y25-F444 WeakPolarHBondContact OH-CE1 3.48Å; Y25-L446 HydrophobicContact CE1-CD1 4.28Å; Y25-L446 HydrophobicContact CE1-CD2 4.46Å
26V96.1Very high94.5Very high1 Ų124.7 Ų24.71%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-111.6122.2175.9-172.60000109.7K72 I74 Y163 A164 D165 R429 L430V26-K72 CarbonylContact C-O 3.58Å; V26-K72 WeakPolarHBondContact CA-O 3.35Å; V26-K72 HydrophobicContact CG1-CB 4.46Å; V26-K72 HydrophobicContact CG1-CD 4.5Å; V26-K72 HydrophobicContact CG2-CB 4.34Å; V26-I74 HydrophobicContact CG1-CD1 3.51Å; V26-I74 HydrophobicContact CG1-CG1 3.96Å; V26-Y163 WeakPolarHBondContact CG1-O 3.36Å; V26-A164 CarbonylContact O-C 3.53Å; V26-D165 PolarHBondContact N-OD2 2.95Å; V26-D165 PolarHBondContact O-N 2.84Å; V26-R429 HydrophobicContact CG2-CB 4.09Å; V26-L430 HydrophobicContact CG2-CD2 4.47Å
27A97.2Very high94.4Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-109.7125.4-178.400000110.9V71 K72 P73 I74 F166 I168A27-V71 HydrophobicContact CB-CG1 3.64Å; A27-K72 PolarHBondContact N-O 2.8Å; A27-P73 CarbonylContact O-C 3.55Å; A27-P73 WeakPolarHBondContact O-CA 3.37Å; A27-I74 PolarHBondContact O-N 3.39Å; A27-F166 WeakPolarHBondContact CA-O 3.43Å; A27-F166 HydrophobicContact CB-CD2 4.21Å; A27-F166 HydrophobicContact CB-CE1 4.03Å; A27-F166 HydrophobicContact CB-CE2 3.66Å; A27-F166 HydrophobicContact CB-CZ 3.57Å; A27-I168 HydrophobicContact CB-CD1 3.89Å; A27-I168 HydrophobicContact CB-CG1 4.48Å
28A98.4Very high94.4Very high0 Ų023.3 Ų23.30%013%0.125CC..EExtended strand (participates in β ladder)trans-89.4138.5168.700000110.1I74 L155 L158 A164 F166 V167 I168A28-I74 CarbonylContact C-O 3.59Å; A28-I74 WeakPolarHBondContact CA-O 3.35Å; A28-L155 HydrophobicContact CB-CD2 3.62Å; A28-L158 HydrophobicContact CB-CD1 4.48Å; A28-A164 HydrophobicContact CB-CB 3.53Å; A28-F166 PolarHBondContact N-O 3.46Å; A28-V167 CarbonylContact O-C 3.6Å; A28-V167 VanDerWaalsContact O-CA 3.27Å; A28-V167 WeakPolarHBondContact O-CA 3.1Å; A28-I168 PolarHBondContact O-N 3.12Å
29V98.6Very high94.2Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-126125.6-167.1-179.70000111.1V31 W34 M66 I74 L75 V76 I168V29-V31 HydrophobicContact CG1-CG2 4.48Å; V29-V31 PolarHBondContact O-N 2.9Å; V29-W34 HydrophobicContact CG1-CD2 4.28Å; V29-W34 HydrophobicContact CG1-CE3 3.92Å; V29-W34 HydrophobicContact CG1-CH2 3.44Å; V29-W34 VanDerWaalsContact CG1-CH2 3.44Å; V29-W34 HydrophobicContact CG1-CZ2 3.85Å; V29-W34 HydrophobicContact CG1-CZ3 3.5Å; V29-W34 VanDerWaalsContact CG1-CZ3 3.5Å; V29-W34 HydrophobicContact CG2-CH2 4.22Å; V29-M66 HydrophobicContact CG2-CE 4.15Å; V29-M66 HydrophobicContact CG2-SD 3.94Å; V29-I74 PolarHBondContact N-O 3.01Å; V29-L75 HydrophobicContact CB-CD2 3.74Å; V29-L75 HydrophobicContact CG1-CD2 4.02Å; V29-L75 HydrophobicContact CG2-CD2 4.01Å; V29-V76 PolarHBondContact O-N 2.68Å; V29-I168 HydrophobicContact CG2-CB 4.48Å; V29-I168 HydrophobicContact CG2-CD1 4.19Å
30D98.2Very high94Very high9 Ų924.1 Ų24.15%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-69.8106.5160.1169.4-4.2000109.4Y32 C33 L155 I168 T169D30-Y32 PolarHBondContact OD1-N 3.33Å; D30-C33 PolarHBondContact OD1-N 3.15Å; D30-C33 WeakPolarHBondContact OD2-CB 3.47Å; D30-C33 PolarHBondContact OD2-SG 2.88Å; D30-L155 HydrophobicContact CB-CD1 3.77Å; D30-I168 PolarHBondContact N-O 3.46Å; D30-T169 PolarHBondContact OD2-OG1 3.11Å
31V97.6Very high93.8Very high0 Ų023.2 Ų23.20%012%0.118CC..Hα-helixtrans-79.6-28.7-179.4-172.70000111.8V29 C33 W34 I35 V59 L75 V76 F77 V133V29-V31 HydrophobicContact CG1-CG2 4.48Å; V29-V31 PolarHBondContact O-N 2.9Å; V31-C33 PolarHBondContact O-N 2.92Å; V31-W34 PolarHBondContact O-N 2.78Å; V31-I35 HydrophobicContact CG1-CD1 3.81Å; V31-I35 HydrophobicContact CG1-CG1 3.98Å; V31-I35 WeakPolarHBondContact O-CG1 3.28Å; V31-I35 PolarHBondContact O-N 2.8Å; V31-V59 HydrophobicContact CG1-CG1 4.49Å; V31-V59 HydrophobicContact CG1-CG2 4.36Å; V31-L75 HydrophobicContact CG2-CB 3.66Å; V31-L75 HydrophobicContact CG2-CD1 4.24Å; V31-L75 HydrophobicContact CG2-CD2 4.09Å; V31-L75 HydrophobicContact CG2-CG 4.19Å; V31-V76 WeakPolarHBondContact CG2-O 3.48Å; V31-V76 PolarHBondContact N-O 3.03Å; V31-F77 HydrophobicContact CB-CD1 4.05Å; V31-F77 HydrophobicContact CB-CE1 3.92Å; V31-F77 HydrophobicContact CB-CZ 4.25Å; V31-F77 HydrophobicContact CG1-CD1 4.12Å; V31-F77 HydrophobicContact CG1-CE1 3.57Å; V31-F77 HydrophobicContact CG1-CZ 4Å; V31-F77 HydrophobicContact CG2-CD1 4.39Å; V31-F77 HydrophobicContact CG2-CD2 4.38Å; V31-F77 HydrophobicContact CG2-CE1 4.08Å; V31-F77 HydrophobicContact CG2-CE2 4.05Å; V31-F77 HydrophobicContact CG2-CZ 3.9Å; V31-V133 HydrophobicContact CG1-CG1 3.77Å
32Y95.4Very high94Very high45 Ų4518.3 Ų18.318%0.1769%0.091CC..Hα-helixtrans-66.6-36.5-177.1-94.2-104.5000111.8D30 W34 I35 H36 F77 D78 V125 A130D30-Y32 PolarHBondContact OD1-N 3.33Å; Y32-W34 VanDerWaalsContact C-N 3.25Å; Y32-W34 PolarHBondContact O-N 2.85Å; Y32-I35 PolarHBondContact O-N 3.08Å; Y32-H36 VanDerWaalsContact O-CB 3.26Å; Y32-H36 WeakPolarHBondContact O-CB 3.43Å; Y32-H36 PolarHBondContact O-N 3.27Å; Y32-F77 HydrophobicContact CE2-CB 4.22Å; Y32-D78 HydrophobicContact CD2-CB 4.1Å; Y32-D78 HydrophobicContact CE1-CB 4.43Å; Y32-D78 HydrophobicContact CE2-CB 3.73Å; Y32-D78 VanDerWaalsContact CE2-N 3.3Å; Y32-V125 HydrophobicContact CD1-CB 4.26Å; Y32-V125 HydrophobicContact CD1-CG1 3.95Å; Y32-V125 HydrophobicContact CE1-CB 4.01Å; Y32-V125 HydrophobicContact CE1-CG1 3.56Å; Y32-A130 HydrophobicContact CE2-CB 4.16Å
33C94.2Very high94.1Very high5 Ų518.1 Ų18.13%0.0349%0.09CC..Hα-helixtrans-54.7-39.1168.7-92.40000112.8D30 V31 R37 E170D30-C33 PolarHBondContact OD1-N 3.15Å; D30-C33 WeakPolarHBondContact OD2-CB 3.47Å; D30-C33 PolarHBondContact OD2-SG 2.88Å; V31-C33 PolarHBondContact O-N 2.92Å; C33-R37 WeakPolarHBondContact O-CB 3.3Å; C33-R37 PolarHBondContact O-N 3.2Å; C33-E170 HydrophobicContact CB-CB 4.48Å; C33-E170 HydrophobicContact CB-CG 4.37Å; C33-E170 PolarHBondContact SG-N 3.09Å
34W95.2Very high94Very high3 Ų317.8 Ų17.81%0.0119%0.088CC..Hα-helixtrans-80.7-38.6179.1-68.3-5.8000113.4V29 V31 Y32 S38 Y58 V59 Y62 M66 I168 L186V29-W34 HydrophobicContact CG1-CD2 4.28Å; V29-W34 HydrophobicContact CG1-CE3 3.92Å; V29-W34 HydrophobicContact CG1-CH2 3.44Å; V29-W34 VanDerWaalsContact CG1-CH2 3.44Å; V29-W34 HydrophobicContact CG1-CZ2 3.85Å; V29-W34 HydrophobicContact CG1-CZ3 3.5Å; V29-W34 VanDerWaalsContact CG1-CZ3 3.5Å; V29-W34 HydrophobicContact CG2-CH2 4.22Å; V31-W34 PolarHBondContact O-N 2.78Å; Y32-W34 VanDerWaalsContact C-N 3.25Å; Y32-W34 PolarHBondContact O-N 2.85Å; W34-S38 VanDerWaalsContact O-CB 3.26Å; W34-S38 WeakPolarHBondContact O-CB 3.3Å; W34-S38 PolarHBondContact O-N 3.23Å; W34-S38 PolarHBondContact O-OG 3.38Å; W34-Y58 HydrophobicContact CB-CD1 4.3Å; W34-Y58 HydrophobicContact CB-CE1 4.03Å; W34-Y58 HydrophobicContact CG-CE1 4.25Å; W34-V59 HydrophobicContact CB-CG2 4.01Å; W34-V59 HydrophobicContact CE3-CG1 4.16Å; W34-V59 HydrophobicContact CE3-CG2 4.44Å; W34-Y62 HydrophobicContact CD2-CD2 4.47Å; W34-Y62 HydrophobicContact CD2-CG 4.24Å; W34-Y62 AromaticContact CE2-CD1 3.99Å; W34-Y62 HydrophobicContact CE3-CG 4.21Å; W34-Y62 HydrophobicContact CH2-CD1 4.02Å; W34-Y62 AromaticContact CH2-CG 3.92Å; W34-Y62 HydrophobicContact CH2-CG 3.92Å; W34-Y62 AromaticContact CZ2-CD1 3.66Å; W34-Y62 HydrophobicContact CZ2-CD1 3.66Å; W34-Y62 HydrophobicContact CZ2-CE1 4.41Å; W34-Y62 AromaticContact CZ2-CG 3.91Å; W34-Y62 HydrophobicContact CZ2-CG 3.91Å; W34-Y62 HydrophobicContact CZ3-CG 4.05Å; W34-M66 HydrophobicContact CH2-CE 3.61Å; W34-M66 HydrophobicContact CH2-SD 4.33Å; W34-M66 HydrophobicContact CZ3-CE 3.91Å; W34-I168 HydrophobicContact CZ2-CG2 3.9Å; W34-L186 HydrophobicContact CZ2-CD2 4.37Å
35I95.8Very high94Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-63.7-46.7175.1-61.1171.8000109.7V31 Y32 R37 S38 S39 Y55 V59 V125 M129 A130 V133V31-I35 HydrophobicContact CG1-CD1 3.81Å; V31-I35 HydrophobicContact CG1-CG1 3.98Å; V31-I35 WeakPolarHBondContact O-CG1 3.28Å; V31-I35 PolarHBondContact O-N 2.8Å; Y32-I35 PolarHBondContact O-N 3.08Å; I35-R37 PolarHBondContact O-N 3.1Å; I35-S38 WeakPolarHBondContact CA-OG 3.27Å; I35-S38 PolarHBondContact O-N 3.05Å; I35-S38 PolarHBondContact O-OG 2.89Å; I35-S39 VanDerWaalsContact O-CB 3.24Å; I35-S39 WeakPolarHBondContact O-CB 3.36Å; I35-S39 PolarHBondContact O-N 3.42Å; I35-S39 PolarHBondContact O-OG 3.2Å; I35-Y55 HydrophobicContact CG2-CD2 4.4Å; I35-V59 HydrophobicContact CG1-CG2 4.33Å; I35-V125 HydrophobicContact CB-CG1 4.31Å; I35-V125 HydrophobicContact CB-CG2 4.41Å; I35-V125 HydrophobicContact CD1-CG1 4.48Å; I35-V125 HydrophobicContact CG2-CB 4.39Å; I35-V125 HydrophobicContact CG2-CG1 3.68Å; I35-V125 HydrophobicContact CG2-CG2 3.83Å; I35-M129 HydrophobicContact CG2-CE 3.98Å; I35-A130 HydrophobicContact CD1-CB 4.41Å; I35-V133 HydrophobicContact CD1-CB 4.26Å; I35-V133 HydrophobicContact CD1-CG2 3.94Å; I35-V133 HydrophobicContact CG1-CG2 4.1Å
36H92.4Very high93.9Very high52 Ų5221 Ų2124%0.24110%0.104CC..Hα-helixtrans-63.8-44179.7-160.6-43.3000111.8Y32 S38 Y40 K96 V125Y32-H36 VanDerWaalsContact O-CB 3.26Å; Y32-H36 WeakPolarHBondContact O-CB 3.43Å; Y32-H36 PolarHBondContact O-N 3.27Å; H36-S38 PolarHBondContact O-N 2.84Å; H36-Y40 AromaticContact CE1-CE1 3.14Å; H36-Y40 WeakPolarHBondContact CE1-CE1 3.44Å; H36-Y40 AromaticContact CE1-CZ 3.26Å; H36-Y40 PolarHBondContact CE1-OH 3.23Å; H36-Y40 AromaticContact ND1-CE1 3.7Å; H36-Y40 AromaticContact ND1-CZ 3.51Å; H36-Y40 PolarHBondContact ND1-OH 3.12Å; H36-K96 PolarHBondContact NE2-NZ 2.93Å; H36-V125 HydrophobicContact CB-CG2 4.24Å
37R91Very high93.5Very high96 Ų9622.2 Ų22.236%0.36211%0.114SC..Hα-helixtrans-63.8-34.9176.3-178.5170.6173.5-172.1-9.5113.7C33 I35 Y40 Y58 E170C33-R37 WeakPolarHBondContact O-CB 3.3Å; C33-R37 PolarHBondContact O-N 3.2Å; I35-R37 PolarHBondContact O-N 3.1Å; R37-Y40 WeakPolarHBondContact O-CD2 3.47Å; R37-Y58 PolarHBondContact NE-OH 2.96Å; R37-E170 IonicContact NH1-OE1 3Å; R37-E170 PolarHBondContact NH1-OE1 3.09Å
38S92.3Very high93.1Very high4 Ų423 Ų233%0.02812%0.118CC..Hα-helixtrans-82.6-33.8-179.3580000113.5W34 I35 H36 Y40 A41 Y55 Y58W34-S38 VanDerWaalsContact O-CB 3.26Å; W34-S38 WeakPolarHBondContact O-CB 3.3Å; W34-S38 PolarHBondContact O-N 3.23Å; W34-S38 PolarHBondContact O-OG 3.38Å; I35-S38 WeakPolarHBondContact CA-OG 3.27Å; I35-S38 PolarHBondContact O-N 3.05Å; I35-S38 PolarHBondContact O-OG 2.89Å; H36-S38 PolarHBondContact O-N 2.84Å; S38-Y40 PolarHBondContact O-N 3.12Å; S38-A41 WeakPolarHBondContact O-CB 3.5Å; S38-A41 PolarHBondContact O-N 3.04Å; S38-Y55 WeakPolarHBondContact OG-CA 3.39Å; S38-Y55 VanDerWaalsContact OG-CB 3.32Å; S38-Y55 WeakPolarHBondContact OG-CB 3.32Å; S38-Y58 VanDerWaalsContact CB-CB 3.41Å
39S89.7Confident92.5Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-62.8-21179.7-62.60000113.5I35 A41 C42 A43 M129I35-S39 VanDerWaalsContact O-CB 3.24Å; I35-S39 WeakPolarHBondContact O-CB 3.36Å; I35-S39 PolarHBondContact O-N 3.42Å; I35-S39 PolarHBondContact O-OG 3.2Å; S39-A41 PolarHBondContact O-N 2.89Å; S39-C42 CarbonylContact O-C 3.55Å; S39-C42 PolarHBondContact O-N 3.49Å; S39-A43 WeakPolarHBondContact O-CA 3.45Å; S39-A43 PolarHBondContact O-N 3.41Å; S39-M129 VanDerWaalsContact OG-CE 3.32Å; S39-M129 WeakPolarHBondContact OG-CE 3.39Å
40Y89.9Confident92.1Very high64 Ų6428.1 Ų28.125%0.25116%0.155SC..G310 helixtrans-57.7-33.6168.8-60.2-41.1000112.9H36 R37 S38 C42 E120 V123H36-Y40 AromaticContact CE1-CE1 3.14Å; H36-Y40 WeakPolarHBondContact CE1-CE1 3.44Å; H36-Y40 AromaticContact CE1-CZ 3.26Å; H36-Y40 PolarHBondContact CE1-OH 3.23Å; H36-Y40 AromaticContact ND1-CE1 3.7Å; H36-Y40 AromaticContact ND1-CZ 3.51Å; H36-Y40 PolarHBondContact ND1-OH 3.12Å; R37-Y40 WeakPolarHBondContact O-CD2 3.47Å; S38-Y40 PolarHBondContact O-N 3.12Å; Y40-C42 VanDerWaalsContact C-N 3.29Å; Y40-C42 PolarHBondContact O-N 2.97Å; Y40-E120 HydrophobicContact CD1-CB 4.35Å; Y40-E120 VanDerWaalsContact CD1-O 3.29Å; Y40-E120 WeakPolarHBondContact CD1-O 3.42Å; Y40-E120 WeakPolarHBondContact CE1-O 3.15Å; Y40-V123 HydrophobicContact CD1-CG2 4.41Å
41A90.2Very high91.8Very high37 Ų3733.4 Ų33.431%0.30619%0.19SC..G310 helixtrans-75.5-17-177.600000113.7S38 S39S38-A41 WeakPolarHBondContact O-CB 3.5Å; S38-A41 PolarHBondContact O-N 3.04Å; S39-A41 PolarHBondContact O-N 2.89Å
42C92.7Very high91.6Very high0 Ų034.4 Ų34.40%020%0.197CC..G310 helixtrans-126.127174.658.40000112.2S39 Y40 S44 D45 L46 T52 Q54S39-C42 CarbonylContact O-C 3.55Å; S39-C42 PolarHBondContact O-N 3.49Å; Y40-C42 VanDerWaalsContact C-N 3.29Å; Y40-C42 PolarHBondContact O-N 2.97Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 3.22Å; C42-D45 HydrophobicContact CB-CB 4.31Å; C42-D45 WeakPolarHBondContact O-CB 3.39Å; C42-D45 PolarHBondContact O-N 3.34Å; C42-L46 WeakPolarHBondContact O-CG 3.48Å; C42-L46 PolarHBondContact O-N 3.02Å; C42-T52 HydrophobicContact CB-CG2 3.92Å; C42-Q54 HydrophobicContact CB-CB 4.21Å
43A92.8Very high91.6Very high1 Ų135.7 Ų35.71%0.00821%0.206CC..Hα-helixtrans-62.6-34.4-17300000113.3S39 D45 A47 F119 E120 V123S39-A43 WeakPolarHBondContact O-CA 3.45Å; S39-A43 PolarHBondContact O-N 3.41Å; A43-D45 VanDerWaalsContact C-N 3.34Å; A43-A47 VanDerWaalsContact O-CB 3.23Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 3.49Å; A43-A47 VanDerWaalsContact O-N 3.1Å; A43-F119 HydrophobicContact CB-CB 4.09Å; A43-E120 HydrophobicContact CB-CG 4.04Å; A43-V123 HydrophobicContact CB-CG2 3.68Å
44S90.8Very high91.6Very high30 Ų3037.3 Ų37.321%0.2121%0.214CC..Hα-helixtrans-57.3-47.2169.147.10000111.8C42 A47 L48C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 3.22Å; S44-A47 PolarHBondContact O-N 3.05Å; S44-L48 VanDerWaalsContact O-CB 3.26Å; S44-L48 WeakPolarHBondContact O-CB 3.45Å; S44-L48 WeakPolarHBondContact O-CG 3.36Å; S44-L48 PolarHBondContact O-N 2.76Å
45D92Very high91.7Very high45 Ų4537.8 Ų37.824%0.24122%0.215CC..Hα-helixtrans-72.3-46.4-169-55.80.2000109.4C42 A43 A47 L48 G49 I50 T52C42-D45 HydrophobicContact CB-CB 4.31Å; C42-D45 WeakPolarHBondContact O-CB 3.39Å; C42-D45 PolarHBondContact O-N 3.34Å; A43-D45 VanDerWaalsContact C-N 3.34Å; D45-A47 PolarHBondContact O-N 3.31Å; D45-L48 CarbonylContact O-C 3.49Å; D45-L48 PolarHBondContact O-N 3.25Å; D45-G49 PolarHBondContact O-N 3.03Å; D45-I50 HydrophobicContact CB-CB 3.99Å; D45-I50 HydrophobicContact CB-CG2 4.33Å; D45-I50 PolarHBondContact O-N 3.08Å; D45-T52 HydrophobicContact CB-CG2 3.95Å
46L91.8Very high91.7Very high48 Ų4838.5 Ų38.525%0.25122%0.22SC..Hα-helixtrans-56.4-47.9172.1-66.4172000111.4C42 L48 G49 T52 Y55 V123 M129C42-L46 WeakPolarHBondContact O-CG 3.48Å; C42-L46 PolarHBondContact O-N 3.02Å; L46-L48 PolarHBondContact O-N 3.37Å; L46-G49 PolarHBondContact O-N 3.38Å; L46-T52 HydrophobicContact CD2-CG2 3.78Å; L46-T52 HydrophobicContact CG-CG2 4.04Å; L46-Y55 HydrophobicContact CD2-CD1 4.5Å; L46-Y55 HydrophobicContact CD2-CE1 4.02Å; L46-V123 HydrophobicContact CD1-CG1 4.43Å; L46-M129 HydrophobicContact CD1-CE 3.8Å; L46-M129 HydrophobicContact CD2-CE 3.9Å; L46-M129 HydrophobicContact CD2-SD 4.1Å
47A88.4Confident92Very high27 Ų2741.6 Ų41.622%0.22323%0.229CC..Hα-helixtrans-72.3-25.8-178.200000114.1A43 S44 D45 F119 F822A43-A47 VanDerWaalsContact O-CB 3.23Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 3.49Å; A43-A47 VanDerWaalsContact O-N 3.1Å; S44-A47 PolarHBondContact O-N 3.05Å; D45-A47 PolarHBondContact O-N 3.31Å; A47-F119 HydrophobicContact CB-CD1 3.27Å; A47-F119 HydrophobicContact CB-CE1 3.4Å; A47-F119 VanDerWaalsContact CB-CE1 3.4Å; A47-F119 HydrophobicContact CB-CG 4.07Å; A47-F119 HydrophobicContact CB-CZ 4.28Å; A47-F822 WeakPolarHBondContact O-CB 3.19Å
48L87.6Confident92.2Very high17 Ų1738.9 Ų38.99%0.08922%0.219CC..Hα-helixtrans-89-5.5173.9-67.4171.9000113.1S44 D45 L46 I50 F822 W825 K826S44-L48 VanDerWaalsContact O-CB 3.26Å; S44-L48 WeakPolarHBondContact O-CB 3.45Å; S44-L48 WeakPolarHBondContact O-CG 3.36Å; S44-L48 PolarHBondContact O-N 2.76Å; D45-L48 CarbonylContact O-C 3.49Å; D45-L48 PolarHBondContact O-N 3.25Å; L46-L48 PolarHBondContact O-N 3.37Å; L48-I50 VanDerWaalsContact C-N 3.29Å; L48-I50 HydrophobicContact CB-CD1 3.94Å; L48-I50 HydrophobicContact CB-CG1 3.96Å; L48-I50 HydrophobicContact CD1-CD1 4Å; L48-I50 PolarHBondContact O-N 2.96Å; L48-F822 HydrophobicContact CD2-CB 4.13Å; L48-F822 HydrophobicContact CD2-CD1 3.88Å; L48-F822 HydrophobicContact CD2-CG 4.44Å; L48-W825 HydrophobicContact CD1-CE3 4.42Å; L48-W825 HydrophobicContact CD2-CB 4.1Å; L48-W825 HydrophobicContact CD2-CE3 4.18Å; L48-K826 WeakPolarHBondContact O-CD 3.4Å
49G87Confident92.5Very high45 Ų4538.8 Ų38.846%0.46422%0.219SC..THydrogen-bonded Turntrans6629.9-173.800000113.2D45 L46 K826D45-G49 PolarHBondContact O-N 3.03Å; L46-G49 PolarHBondContact O-N 3.38Å; G49-K826 WeakPolarHBondContact O-CE 3.42Å; G49-K826 PolarHBondContact O-NZ 3.26Å
50I90.4Very high92.9Very high62 Ų6241 Ų4132%0.31823%0.23SC..  trans-82122171-61.6170.8000107.4D45 L48 T52 K826D45-I50 HydrophobicContact CB-CB 3.99Å; D45-I50 HydrophobicContact CB-CG2 4.33Å; D45-I50 PolarHBondContact O-N 3.08Å; L48-I50 VanDerWaalsContact C-N 3.29Å; L48-I50 HydrophobicContact CB-CD1 3.94Å; L48-I50 HydrophobicContact CB-CG1 3.96Å; L48-I50 HydrophobicContact CD1-CD1 4Å; L48-I50 PolarHBondContact O-N 2.96Å; I50-T52 PolarHBondContact O-N 3.45Å; I50-K826 HydrophobicContact CG1-CD 4.33Å; I50-K826 HydrophobicContact CG1-CG 4.09Å
51P91.3Very high93.3Very high120 Ų12041.3 Ų41.378%0.77923%0.232SC*.  trans-59.3126.3-179.4-25.235000111.9
52T93.8Very high93.7Very high22 Ų2239.7 Ų39.714%0.13522%0.219CC..  trans-144.8135.7-177.9-174.70000109.8C42 D45 L46 I50 Y55C42-T52 HydrophobicContact CB-CG2 3.92Å; D45-T52 HydrophobicContact CB-CG2 3.95Å; L46-T52 HydrophobicContact CD2-CG2 3.78Å; L46-T52 HydrophobicContact CG-CG2 4.04Å; I50-T52 PolarHBondContact O-N 3.45Å; T52-Y55 HydrophobicContact CG2-CE1 4.3Å; T52-Y55 WeakPolarHBondContact O-CE1 3.39Å
53D94.2Very high93.9Very high71 Ų7139.8 Ų39.838%0.3822%0.219SC..  trans-108.110.8179.570.6-33.6000111.7Y55 V56 R57D53-Y55 VanDerWaalsContact C-N 3.26Å; D53-Y55 PolarHBondContact O-N 3.37Å; D53-V56 WeakPolarHBondContact O-CA 3.18Å; D53-V56 WeakPolarHBondContact O-CB 3.42Å; D53-V56 PolarHBondContact O-N 3.23Å; D53-R57 PolarHBondContact O-N 3.05Å; D53-R57 IonicContact OD1-CZ 2.68Å; D53-R57 IonicContact OD1-NE 2.77Å; D53-R57 PolarHBondContact OD1-NE 2.92Å; D53-R57 IonicContact OD1-NH2 3.96Å; D53-R57 PolarHBondContact OD1-NH2 2.93Å; D53-R57 VanDerWaalsContact OD2-CD 3.24Å; D53-R57 WeakPolarHBondContact OD2-CD 3.28Å; D53-R57 WeakPolarHBondContact OD2-CG 3.35Å; D53-R57 IonicContact OD2-CZ 3.71Å; D53-R57 IonicContact OD2-NE 2.78Å; D53-R57 PolarHBondContact OD2-NE 2.9Å; D53-R57 IonicContact OD2-NH2 3.73Å
54Q95.2Very high94.2Very high40 Ų4043.6 Ų43.619%0.18724%0.239CC..Hα-helixtrans-64.4-29-167.7-174.9166.8-1.700113.4C42 Y58C42-Q54 HydrophobicContact CB-CB 4.21Å; Q54-Y58 WeakPolarHBondContact O-CB 3.34Å; Q54-Y58 PolarHBondContact O-N 3.47Å
55Y95.5Very high94.5Very high12 Ų1243.2 Ų43.25%0.04724%0.235CC..Hα-helixtrans-71.2-40.3172.752.8-87.2000111.8I35 S38 L46 T52 D53 Y58 V59 M129 E132 V133I35-Y55 HydrophobicContact CG2-CD2 4.4Å; S38-Y55 WeakPolarHBondContact OG-CA 3.39Å; S38-Y55 VanDerWaalsContact OG-CB 3.32Å; S38-Y55 WeakPolarHBondContact OG-CB 3.32Å; L46-Y55 HydrophobicContact CD2-CD1 4.5Å; L46-Y55 HydrophobicContact CD2-CE1 4.02Å; T52-Y55 HydrophobicContact CG2-CE1 4.3Å; T52-Y55 WeakPolarHBondContact O-CE1 3.39Å; D53-Y55 VanDerWaalsContact C-N 3.26Å; D53-Y55 PolarHBondContact O-N 3.37Å; Y55-Y58 WeakPolarHBondContact O-CB 3.47Å; Y55-Y58 PolarHBondContact O-N 3.18Å; Y55-Y58 VanDerWaalsContact O-N 3.15Å; Y55-V59 PolarHBondContact O-N 3.42Å; Y55-M129 HydrophobicContact CD1-CE 3.89Å; Y55-M129 HydrophobicContact CD2-CB 4.29Å; Y55-M129 HydrophobicContact CD2-CE 4.31Å; Y55-M129 HydrophobicContact CE1-CE 3.97Å; Y55-M129 HydrophobicContact CE1-CG 4.31Å; Y55-M129 HydrophobicContact CE2-CB 3.67Å; Y55-M129 HydrophobicContact CE2-CE 4.36Å; Y55-M129 HydrophobicContact CE2-CG 3.97Å; Y55-M129 HydrophobicContact CG-CE 4.09Å; Y55-E132 PolarHBondContact OH-OE2 3.04Å; Y55-V133 HydrophobicContact CD2-CG2 3.87Å; Y55-V133 HydrophobicContact CE2-CG2 4.33Å
56V97.3Very high94.8Very high16 Ų1641 Ų4110%0.09722%0.223CC..Hα-helixtrans-60.3-50.6171.5-169.10000110.3D53 Y58 V59 I60 E132 V133 A136D53-V56 WeakPolarHBondContact O-CA 3.18Å; D53-V56 WeakPolarHBondContact O-CB 3.42Å; D53-V56 PolarHBondContact O-N 3.23Å; V56-Y58 PolarHBondContact O-N 2.82Å; V56-V59 PolarHBondContact O-N 3.07Å; V56-I60 HydrophobicContact CG1-CD1 3.94Å; V56-I60 HydrophobicContact CG1-CG1 4.5Å; V56-I60 VanDerWaalsContact O-CG1 3.29Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.37Å; V56-E132 HydrophobicContact CG2-CB 4Å; V56-V133 HydrophobicContact CB-CG2 4.46Å; V56-V133 HydrophobicContact CG2-CG2 3.99Å; V56-A136 HydrophobicContact CG1-CB 3.47Å; V56-A136 VanDerWaalsContact CG1-CB 3.47Å
57R97.1Very high95Very high117 Ų11743.2 Ų43.244%0.44223%0.231SC..Hα-helixtrans-63.5-18.5175.2-76.4-170.3-75.2136.60.9114.1D53 K61D53-R57 PolarHBondContact O-N 3.05Å; D53-R57 IonicContact OD1-CZ 2.68Å; D53-R57 IonicContact OD1-NE 2.77Å; D53-R57 PolarHBondContact OD1-NE 2.92Å; D53-R57 IonicContact OD1-NH2 3.96Å; D53-R57 PolarHBondContact OD1-NH2 2.93Å; D53-R57 VanDerWaalsContact OD2-CD 3.24Å; D53-R57 WeakPolarHBondContact OD2-CD 3.28Å; D53-R57 WeakPolarHBondContact OD2-CG 3.35Å; D53-R57 IonicContact OD2-CZ 3.71Å; D53-R57 IonicContact OD2-NE 2.78Å; D53-R57 PolarHBondContact OD2-NE 2.9Å; D53-R57 IonicContact OD2-NH2 3.73Å; R57-K61 WeakPolarHBondContact O-CD 3.44Å; R57-K61 VanDerWaalsContact O-CE 3.3Å; R57-K61 WeakPolarHBondContact O-CE 3.38Å; R57-K61 WeakPolarHBondContact O-CG 3.35Å
58Y97.2Very high95.5Very high39 Ų3946.5 Ų46.515%0.15325%0.252CS..Hα-helixtrans-79.5-50.6171.8-177.9-83.9000111W34 R37 S38 Q54 Y55 V56 I60 K61 Y62W34-Y58 HydrophobicContact CB-CD1 4.3Å; W34-Y58 HydrophobicContact CB-CE1 4.03Å; W34-Y58 HydrophobicContact CG-CE1 4.25Å; R37-Y58 PolarHBondContact NE-OH 2.96Å; S38-Y58 VanDerWaalsContact CB-CB 3.41Å; Q54-Y58 WeakPolarHBondContact O-CB 3.34Å; Q54-Y58 PolarHBondContact O-N 3.47Å; Y55-Y58 WeakPolarHBondContact O-CB 3.47Å; Y55-Y58 PolarHBondContact O-N 3.18Å; Y55-Y58 VanDerWaalsContact O-N 3.15Å; V56-Y58 PolarHBondContact O-N 2.82Å; Y58-I60 VanDerWaalsContact C-N 3.32Å; Y58-I60 PolarHBondContact O-N 3.12Å; Y58-K61 WeakPolarHBondContact O-CB 3.5Å; Y58-K61 PolarHBondContact O-N 2.9Å; Y58-K61 VanDerWaalsContact O-N 3.09Å; Y58-Y62 HydrophobicContact CD1-CD2 4.17Å; Y58-Y62 HydrophobicContact CD1-CE2 4.06Å; Y58-Y62 AromaticContact CE1-CD2 3.84Å; Y58-Y62 HydrophobicContact CE1-CD2 3.84Å; Y58-Y62 AromaticContact CE1-CE2 3.37Å; Y58-Y62 HydrophobicContact CE1-CE2 3.37Å; Y58-Y62 HydrophobicContact CE2-CE2 4.15Å; Y58-Y62 AromaticContact CZ-CE2 3.42Å; Y58-Y62 VanDerWaalsContact CZ-CE2 3.42Å; Y58-Y62 WeakPolarHBondContact OH-CE2 3.49Å; Y58-Y62 PolarHBondContact OH-OH 3.42Å; Y58-Y62 VanDerWaalsContact OH-OH 3.14Å
59V97.9Very high95.9Very high2 Ų246.5 Ų46.51%0.01225%0.253CS..Hα-helixtrans-61.3-40.7179.5174.40000111.3V31 W34 I35 Y55 V56 K61 Y62 I63 V133V31-V59 HydrophobicContact CG1-CG1 4.49Å; V31-V59 HydrophobicContact CG1-CG2 4.36Å; W34-V59 HydrophobicContact CB-CG2 4.01Å; W34-V59 HydrophobicContact CE3-CG1 4.16Å; W34-V59 HydrophobicContact CE3-CG2 4.44Å; I35-V59 HydrophobicContact CG1-CG2 4.33Å; Y55-V59 PolarHBondContact O-N 3.42Å; V56-V59 PolarHBondContact O-N 3.07Å; V59-K61 PolarHBondContact O-N 3.15Å; V59-Y62 PolarHBondContact O-N 3.19Å; V59-Y62 VanDerWaalsContact O-N 3.08Å; V59-I63 HydrophobicContact CG1-CD1 4.07Å; V59-I63 HydrophobicContact CG1-CG1 4.34Å; V59-I63 WeakPolarHBondContact O-CG1 3.27Å; V59-I63 PolarHBondContact O-N 3.29Å; V59-V133 HydrophobicContact CB-CG1 3.95Å; V59-V133 HydrophobicContact CG1-CG1 3.67Å; V59-V133 HydrophobicContact CG2-CG1 4.01Å
60I98Very high96.2Very high46 Ų4648.1 Ų48.124%0.23625%0.251CS..Hα-helixtrans-54.9-34.7175.1-71.4172.2000112.6V56 Y58 I63 N64 A136 M140V56-I60 HydrophobicContact CG1-CD1 3.94Å; V56-I60 HydrophobicContact CG1-CG1 4.5Å; V56-I60 VanDerWaalsContact O-CG1 3.29Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.37Å; Y58-I60 VanDerWaalsContact C-N 3.32Å; Y58-I60 PolarHBondContact O-N 3.12Å; I60-I63 PolarHBondContact O-N 3.28Å; I60-N64 WeakPolarHBondContact O-CB 3.27Å; I60-N64 PolarHBondContact O-N 3.41Å; I60-N64 PolarHBondContact O-ND2 3.31Å; I60-A136 HydrophobicContact CD1-CB 4.3Å; I60-M140 HydrophobicContact CB-SD 4.4Å; I60-M140 HydrophobicContact CD1-SD 4.5Å; I60-M140 HydrophobicContact CG1-SD 3.87Å; I60-M140 HydrophobicContact CG2-CE 4.09Å; I60-M140 HydrophobicContact CG2-SD 4.05Å
61K97.9Very high96.5Very high70 Ų7045.3 Ų45.330%0.30424%0.237SC..Hα-helixtrans-66.8-40.5178.2-68.4164.2-173.2168.20112R57 Y58 V59 N64 L65 L188R57-K61 WeakPolarHBondContact O-CD 3.44Å; R57-K61 VanDerWaalsContact O-CE 3.3Å; R57-K61 WeakPolarHBondContact O-CE 3.38Å; R57-K61 WeakPolarHBondContact O-CG 3.35Å; Y58-K61 WeakPolarHBondContact O-CB 3.5Å; Y58-K61 PolarHBondContact O-N 2.9Å; Y58-K61 VanDerWaalsContact O-N 3.09Å; V59-K61 PolarHBondContact O-N 3.15Å; K61-N64 PolarHBondContact O-N 2.89Å; K61-L65 WeakPolarHBondContact O-CB 3.45Å; K61-L65 PolarHBondContact O-N 3.34Å; K61-L188 HydrophobicContact CB-CD1 4.45Å; K61-L188 HydrophobicContact CB-CD2 3.83Å; K61-L188 HydrophobicContact CD-CD1 4.3Å
62Y98.3Very high96.8Very high4 Ų440.8 Ų40.82%0.01621%0.205CC..Hα-helixtrans-71.6-34.7175.3-75.3-95.7000112W34 Y58 V59 N64 L65 M66 L186 L188W34-Y62 HydrophobicContact CD2-CD2 4.47Å; W34-Y62 HydrophobicContact CD2-CG 4.24Å; W34-Y62 AromaticContact CE2-CD1 3.99Å; W34-Y62 HydrophobicContact CE3-CG 4.21Å; W34-Y62 HydrophobicContact CH2-CD1 4.02Å; W34-Y62 AromaticContact CH2-CG 3.92Å; W34-Y62 HydrophobicContact CH2-CG 3.92Å; W34-Y62 AromaticContact CZ2-CD1 3.66Å; W34-Y62 HydrophobicContact CZ2-CD1 3.66Å; W34-Y62 HydrophobicContact CZ2-CE1 4.41Å; W34-Y62 AromaticContact CZ2-CG 3.91Å; W34-Y62 HydrophobicContact CZ2-CG 3.91Å; W34-Y62 HydrophobicContact CZ3-CG 4.05Å; Y58-Y62 HydrophobicContact CD1-CD2 4.17Å; Y58-Y62 HydrophobicContact CD1-CE2 4.06Å; Y58-Y62 AromaticContact CE1-CD2 3.84Å; Y58-Y62 HydrophobicContact CE1-CD2 3.84Å; Y58-Y62 AromaticContact CE1-CE2 3.37Å; Y58-Y62 HydrophobicContact CE1-CE2 3.37Å; Y58-Y62 HydrophobicContact CE2-CE2 4.15Å; Y58-Y62 AromaticContact CZ-CE2 3.42Å; Y58-Y62 VanDerWaalsContact CZ-CE2 3.42Å; Y58-Y62 WeakPolarHBondContact OH-CE2 3.49Å; Y58-Y62 PolarHBondContact OH-OH 3.42Å; Y58-Y62 VanDerWaalsContact OH-OH 3.14Å; V59-Y62 PolarHBondContact O-N 3.19Å; V59-Y62 VanDerWaalsContact O-N 3.08Å; Y62-N64 VanDerWaalsContact C-N 3.34Å; Y62-L65 HydrophobicContact CD1-CD2 4.31Å; Y62-L65 PolarHBondContact O-N 3.06Å; Y62-M66 VanDerWaalsContact O-CE 3.28Å; Y62-M66 WeakPolarHBondContact O-CE 3.49Å; Y62-M66 PolarHBondContact O-N 3.03Å; Y62-L186 HydrophobicContact CD1-CD2 4.17Å; Y62-L186 HydrophobicContact CD1-CG 4.43Å; Y62-L186 HydrophobicContact CE1-CD2 4.45Å; Y62-L186 HydrophobicContact CE1-CG 4.23Å; Y62-L186 PolarHBondContact OH-O 3.06Å; Y62-L188 HydrophobicContact CD1-CD2 4.18Å; Y62-L188 HydrophobicContact CD2-CD2 3.63Å; Y62-L188 HydrophobicContact CE1-CD2 4.08Å; Y62-L188 HydrophobicContact CE2-CD2 3.47Å; Y62-L188 VanDerWaalsContact CE2-CD2 3.47Å; Y62-L188 HydrophobicContact CE2-CG 3.88Å; Y62-L188 HydrophobicContact CG-CD2 3.97Å
63I98.3Very high97Very high1 Ų140 Ų401%0.00520%0.2CC..Hα-helixtrans-58.4-47.7169.9-64171.6000110.5V59 I60 M66 K67 L75 A137 M140 V142V59-I63 HydrophobicContact CG1-CD1 4.07Å; V59-I63 HydrophobicContact CG1-CG1 4.34Å; V59-I63 WeakPolarHBondContact O-CG1 3.27Å; V59-I63 PolarHBondContact O-N 3.29Å; I60-I63 PolarHBondContact O-N 3.28Å; I63-M66 PolarHBondContact O-N 2.92Å; I63-K67 HydrophobicContact CG2-CD 4.26Å; I63-K67 WeakPolarHBondContact O-CB 3.43Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.91Å; I63-L75 HydrophobicContact CD1-CD1 4.02Å; I63-A137 HydrophobicContact CD1-CB 3.88Å; I63-M140 HydrophobicContact CB-CE 4.1Å; I63-M140 HydrophobicContact CD1-SD 4.2Å; I63-M140 HydrophobicContact CG2-CE 3.52Å; I63-M140 HydrophobicContact CG2-SD 4.15Å; I63-V142 HydrophobicContact CG2-CG2 3.7Å
64N98.3Very high97.2Very high81 Ų8136.7 Ų36.743%0.43318%0.182SC..Hα-helixtrans-65.6-38.2178.6-73.3-19.9000112.4I60 K61 Y62 K67 S68 M140I60-N64 WeakPolarHBondContact O-CB 3.27Å; I60-N64 PolarHBondContact O-N 3.41Å; I60-N64 PolarHBondContact O-ND2 3.31Å; K61-N64 PolarHBondContact O-N 2.89Å; Y62-N64 VanDerWaalsContact C-N 3.34Å; N64-K67 PolarHBondContact O-N 2.75Å; N64-S68 WeakPolarHBondContact O-CB 3.46Å; N64-S68 PolarHBondContact O-N 2.98Å; N64-S68 PolarHBondContact O-OG 3.31Å; N64-M140 WeakPolarHBondContact OD1-CE 3.22Å
65L98Very high97.3Very high22 Ų2234.8 Ų34.812%0.11517%0.174CC..Hα-helixtrans-58.4-55.6172.4176.968.4000111.1L19 K61 Y62 K67 S68 C69 D187L19-L65 HydrophobicContact CD2-CD2 4.16Å; L19-L65 HydrophobicContact CD2-CG 3.91Å; K61-L65 WeakPolarHBondContact O-CB 3.45Å; K61-L65 PolarHBondContact O-N 3.34Å; Y62-L65 HydrophobicContact CD1-CD2 4.31Å; Y62-L65 PolarHBondContact O-N 3.06Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.02Å; L65-S68 PolarHBondContact O-N 3.23Å; L65-S68 PolarHBondContact O-OG 3.37Å; L65-C69 PolarHBondContact O-N 3.05Å; L65-C69 PolarHBondContact O-SG 3.29Å; L65-D187 WeakPolarHBondContact CD2-O 3.28Å
66M98.1Very high97.5Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-54.7-46.9177.4-75.7177.9-68.600111.7L19 V29 W34 Y62 I63 S68 C69 N70 V71 P73 I168L19-M66 HydrophobicContact CD2-CB 4.47Å; L19-M66 HydrophobicContact CD2-CG 3.81Å; V29-M66 HydrophobicContact CG2-CE 4.15Å; V29-M66 HydrophobicContact CG2-SD 3.94Å; W34-M66 HydrophobicContact CH2-CE 3.61Å; W34-M66 HydrophobicContact CH2-SD 4.33Å; W34-M66 HydrophobicContact CZ3-CE 3.91Å; Y62-M66 VanDerWaalsContact O-CE 3.28Å; Y62-M66 WeakPolarHBondContact O-CE 3.49Å; Y62-M66 PolarHBondContact O-N 3.03Å; I63-M66 PolarHBondContact O-N 2.92Å; M66-S68 PolarHBondContact O-N 3.18Å; M66-C69 CarbonylContact O-C 3.53Å; M66-C69 PolarHBondContact O-N 2.96Å; M66-N70 PolarHBondContact O-N 3Å; M66-V71 CarbonylContact C-O 3.45Å; M66-V71 HydrophobicContact CB-CB 4.22Å; M66-V71 HydrophobicContact CB-CG1 4.44Å; M66-V71 HydrophobicContact CG-CG1 4.42Å; M66-V71 PolarHBondContact O-N 2.87Å; M66-P73 HydrophobicContact CE-CB 3.67Å; M66-P73 HydrophobicContact CE-CG 4.28Å; M66-P73 HydrophobicContact SD-CB 3.87Å; M66-I168 HydrophobicContact SD-CD1 3.83Å
67K96.3Very high97.5Very high94 Ų9433.5 Ų33.541%0.40917%0.167SC..Hα-helixtrans-61.2-40.8175.7-73.4-175.5175-1620113I63 N64 L65 C69 N70 M140I63-K67 HydrophobicContact CG2-CD 4.26Å; I63-K67 WeakPolarHBondContact O-CB 3.43Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.91Å; N64-K67 PolarHBondContact O-N 2.75Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.02Å; K67-C69 VanDerWaalsContact C-N 3.3Å; K67-C69 PolarHBondContact O-N 3.48Å; K67-N70 PolarHBondContact O-N 2.97Å; K67-M140 PolarHBondContact NZ-O 3.16Å
68S97Very high97.5Very high95 Ų9530.3 Ų30.366%0.66416%0.159SC*.Hα-helixtrans-66.7-30.8177.272.50000113N64 L65 M66 N70N64-S68 WeakPolarHBondContact O-CB 3.46Å; N64-S68 PolarHBondContact O-N 2.98Å; N64-S68 PolarHBondContact O-OG 3.31Å; L65-S68 PolarHBondContact O-N 3.23Å; L65-S68 PolarHBondContact O-OG 3.37Å; M66-S68 PolarHBondContact O-N 3.18Å; S68-N70 PolarHBondContact O-N 3.2Å
69C95.9Very high97.4Very high18 Ų1829.5 Ų29.512%0.12216%0.162CC..THydrogen-bonded Turntrans-80.72.5171-62.60000113.5L19 S23 L65 M66 K67 V71L19-C69 HydrophobicContact CB-CB 4.49Å; L19-C69 HydrophobicContact CD2-CB 4.24Å; L19-C69 HydrophobicContact CG-CB 4.04Å; S23-C69 VanDerWaalsContact CA-O 3.25Å; S23-C69 WeakPolarHBondContact CA-O 3.44Å; S23-C69 VanDerWaalsContact CB-O 3.3Å; S23-C69 WeakPolarHBondContact CB-O 3.3Å; L65-C69 PolarHBondContact O-N 3.05Å; L65-C69 PolarHBondContact O-SG 3.29Å; M66-C69 CarbonylContact O-C 3.53Å; M66-C69 PolarHBondContact O-N 2.96Å; K67-C69 VanDerWaalsContact C-N 3.3Å; K67-C69 PolarHBondContact O-N 3.48Å; C69-V71 VanDerWaalsContact C-N 3.26Å; C69-V71 HydrophobicContact CB-CG2 4.16Å; C69-V71 PolarHBondContact O-N 2.65Å
70N95.3Very high97.2Very high78 Ų7831 Ų3142%0.41717%0.172SC..THydrogen-bonded Turntrans54.740.2-172.9-175.453.3000113.1S23 G24 M66 K67 S68S23-N70 PolarHBondContact OG-ND2 3.14Å; G24-N70 PolarHBondContact N-ND2 3.37Å; G24-N70 PolarHBondContact N-O 3.17Å; M66-N70 PolarHBondContact O-N 3Å; K67-N70 PolarHBondContact O-N 2.97Å; S68-N70 PolarHBondContact O-N 3.2Å
71V95.7Very high97Very high4 Ų434 Ų342%0.02419%0.189CC..PPolyproline II helixtrans-102.3130.8169.1175.50000108.2L19 F22 Y25 A27 M66 C69 P73 F166L19-V71 HydrophobicContact CD1-CG2 4.1Å; L19-V71 HydrophobicContact CG-CG2 4.13Å; F22-V71 HydrophobicContact CB-CG2 4.02Å; F22-V71 WeakPolarHBondContact O-CG2 3.28Å; Y25-V71 WeakPolarHBondContact O-CA 3.09Å; A27-V71 HydrophobicContact CB-CG1 3.64Å; M66-V71 CarbonylContact C-O 3.45Å; M66-V71 HydrophobicContact CB-CB 4.22Å; M66-V71 HydrophobicContact CB-CG1 4.44Å; M66-V71 HydrophobicContact CG-CG1 4.42Å; M66-V71 PolarHBondContact O-N 2.87Å; C69-V71 VanDerWaalsContact C-N 3.26Å; C69-V71 HydrophobicContact CB-CG2 4.16Å; C69-V71 PolarHBondContact O-N 2.65Å; V71-P73 VanDerWaalsContact O-CD 3.25Å; V71-P73 WeakPolarHBondContact O-CD 3.4Å; V71-F166 HydrophobicContact CG1-CZ 4.18Å
72K96.8Very high96.9Very high25 Ų2530.9 Ų30.911%0.10918%0.176CC..EExtended strand (participates in β ladder)trans-84.9116.6173.4-178.3-173.3174.4-166.40110.2Y25 V26 A27 D143 R429 L430 I432Y25-K72 PolarHBondContact O-N 3.11Å; V26-K72 CarbonylContact C-O 3.58Å; V26-K72 WeakPolarHBondContact CA-O 3.35Å; V26-K72 HydrophobicContact CG1-CB 4.46Å; V26-K72 HydrophobicContact CG1-CD 4.5Å; V26-K72 HydrophobicContact CG2-CB 4.34Å; A27-K72 PolarHBondContact N-O 2.8Å; K72-D143 WeakPolarHBondContact CE-OD2 3.42Å; K72-D143 IonicContact NZ-OD2 2.73Å; K72-D143 PolarHBondContact NZ-OD2 3.42Å; K72-R429 WeakPolarHBondContact CD-O 3.44Å; K72-L430 HydrophobicContact CB-CD2 3.7Å; K72-I432 PolarHBondContact NZ-O 3.01Å
73P97.9Very high96.7Very high6 Ų634.1 Ų34.14%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-75.314417027.5-31.2000112.9A27 M66 V71 L75 V142A27-P73 CarbonylContact O-C 3.55Å; A27-P73 WeakPolarHBondContact O-CA 3.37Å; M66-P73 HydrophobicContact CE-CB 3.67Å; M66-P73 HydrophobicContact CE-CG 4.28Å; M66-P73 HydrophobicContact SD-CB 3.87Å; V71-P73 VanDerWaalsContact O-CD 3.25Å; V71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-L75 HydrophobicContact CB-CD2 4.27Å; P73-V142 HydrophobicContact CB-CG1 4.11Å; P73-V142 HydrophobicContact CG-CG1 3.79Å; P73-V142 HydrophobicContact CG-CG2 4.07Å
74I98.3Very high96.5Very high0 Ų035.4 Ų35.40%021%0.206CC..EExtended strand (participates in β ladder)trans-118.3119.9156.9-60.1163.3000106.2V26 A27 A28 V29 D143 V145 L158 A164 I434V26-I74 HydrophobicContact CG1-CD1 3.51Å; V26-I74 HydrophobicContact CG1-CG1 3.96Å; A27-I74 PolarHBondContact O-N 3.39Å; A28-I74 CarbonylContact C-O 3.59Å; A28-I74 WeakPolarHBondContact CA-O 3.35Å; V29-I74 PolarHBondContact N-O 3.01Å; I74-D143 WeakPolarHBondContact CA-O 3.36Å; I74-V145 HydrophobicContact CG2-CG2 4.24Å; I74-L158 HydrophobicContact CG2-CD1 4.15Å; I74-A164 HydrophobicContact CD1-CB 4.3Å; I74-I434 HydrophobicContact CD1-CD1 4.3Å; I74-I434 HydrophobicContact CD1-CG2 3.61Å; I74-I434 HydrophobicContact CG1-CD1 4.18Å; I74-I434 HydrophobicContact CG1-CG2 3.98Å; I74-I434 HydrophobicContact CG2-CD1 3.58Å
75L98.7Very high96.3Very high0 Ų032.5 Ų32.50%019%0.19CC..EExtended strand (participates in β ladder)trans-92.6129.2-179.7-62.2-165.7000111V29 V31 I63 P73 F77 A137 V142 D143 C144 V145V29-L75 HydrophobicContact CB-CD2 3.74Å; V29-L75 HydrophobicContact CG1-CD2 4.02Å; V29-L75 HydrophobicContact CG2-CD2 4.01Å; V31-L75 HydrophobicContact CG2-CB 3.66Å; V31-L75 HydrophobicContact CG2-CD1 4.24Å; V31-L75 HydrophobicContact CG2-CD2 4.09Å; V31-L75 HydrophobicContact CG2-CG 4.19Å; I63-L75 HydrophobicContact CD1-CD1 4.02Å; P73-L75 HydrophobicContact CB-CD2 4.27Å; L75-F77 HydrophobicContact CB-CE2 3.76Å; L75-F77 HydrophobicContact CB-CZ 4.29Å; L75-F77 HydrophobicContact CD1-CZ 4.41Å; L75-A137 HydrophobicContact CD1-CB 3.46Å; L75-A137 VanDerWaalsContact CD1-CB 3.46Å; L75-V142 HydrophobicContact CD1-CG1 4.22Å; L75-V142 HydrophobicContact CG-CG1 3.8Å; L75-D143 PolarHBondContact N-O 3.48Å; L75-C144 CarbonylContact O-C 3.5Å; L75-C144 WeakPolarHBondContact O-CA 3.31Å; L75-V145 PolarHBondContact O-N 3.17Å
76V98.6Very high96.1Very high0 Ų034 Ų340%021%0.205CC..EExtended strand (participates in β ladder)trans-116.9133.9177.2-1720000110.9V29 V31 V145 A151 Q154 L155 L158V29-V76 PolarHBondContact O-N 2.68Å; V31-V76 WeakPolarHBondContact CG2-O 3.48Å; V31-V76 PolarHBondContact N-O 3.03Å; V76-V145 WeakPolarHBondContact CA-O 3.34Å; V76-A151 HydrophobicContact CB-CB 4.43Å; V76-A151 HydrophobicContact CG1-CB 3.78Å; V76-Q154 HydrophobicContact CG1-CB 3.96Å; V76-Q154 HydrophobicContact CG1-CG 3.84Å; V76-L155 HydrophobicContact CB-CD2 3.75Å; V76-L155 HydrophobicContact CB-CG 4.04Å; V76-L155 HydrophobicContact CG1-CD2 4.46Å; V76-L155 HydrophobicContact CG1-CG 4.26Å; V76-L155 HydrophobicContact CG2-CD2 3.49Å; V76-L155 VanDerWaalsContact CG2-CD2 3.49Å; V76-L155 HydrophobicContact CG2-CG 4.13Å; V76-L158 HydrophobicContact CG2-CD1 3.77Å
77F98Very high95.7Very high2 Ų239.8 Ų39.81%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-121.5146.3-177.3-60.1-100.4000110.2V31 Y32 L75 A130 V133 L134 C144 V145 V146 A147V31-F77 HydrophobicContact CB-CD1 4.05Å; V31-F77 HydrophobicContact CB-CE1 3.92Å; V31-F77 HydrophobicContact CB-CZ 4.25Å; V31-F77 HydrophobicContact CG1-CD1 4.12Å; V31-F77 HydrophobicContact CG1-CE1 3.57Å; V31-F77 HydrophobicContact CG1-CZ 4Å; V31-F77 HydrophobicContact CG2-CD1 4.39Å; V31-F77 HydrophobicContact CG2-CD2 4.38Å; V31-F77 HydrophobicContact CG2-CE1 4.08Å; V31-F77 HydrophobicContact CG2-CE2 4.05Å; V31-F77 HydrophobicContact CG2-CZ 3.9Å; Y32-F77 HydrophobicContact CE2-CB 4.22Å; L75-F77 HydrophobicContact CB-CE2 3.76Å; L75-F77 HydrophobicContact CB-CZ 4.29Å; L75-F77 HydrophobicContact CD1-CZ 4.41Å; F77-A130 HydrophobicContact CD1-CB 4.06Å; F77-A130 WeakPolarHBondContact CE1-O 3.48Å; F77-V133 HydrophobicContact CE1-CB 4.19Å; F77-V133 HydrophobicContact CE1-CG1 4.01Å; F77-V133 HydrophobicContact CZ-CG1 4.12Å; F77-L134 HydrophobicContact CD2-CD1 4.19Å; F77-L134 HydrophobicContact CE1-CB 4.05Å; F77-L134 HydrophobicContact CE2-CB 3.97Å; F77-L134 HydrophobicContact CE2-CD1 4.15Å; F77-L134 HydrophobicContact CE2-CG 4.27Å; F77-L134 HydrophobicContact CZ-CB 3.62Å; F77-L134 HydrophobicContact CZ-CG 4.42Å; F77-C144 HydrophobicContact CE2-CB 4.05Å; F77-V145 PolarHBondContact N-O 3.03Å; F77-V146 HydrophobicContact CB-CG1 4.28Å; F77-V146 HydrophobicContact CB-CG2 4.41Å; F77-A147 PolarHBondContact O-N 3.4Å
78D96.6Very high95.4Very high49 Ų4936.8 Ų36.826%0.26222%0.222SC..  trans-65.7147.8169.5-63.8-33.9000111.8Y32 V146 A151Y32-D78 HydrophobicContact CD2-CB 4.1Å; Y32-D78 HydrophobicContact CE1-CB 4.43Å; Y32-D78 HydrophobicContact CE2-CB 3.73Å; Y32-D78 VanDerWaalsContact CE2-N 3.3Å; D78-V146 WeakPolarHBondContact O-CG1 3.46Å; D78-A151 WeakPolarHBondContact OD1-CB 3.31Å; D78-A151 PolarHBondContact OD1-N 3.26Å
79G95.6Very high95.2Very high22 Ų2233.8 Ų33.823%0.22720%0.198CC..  trans-107.7-107.8174.500000112.6A147 Y149G79-A147 WeakPolarHBondContact CA-O 3.5Å; G79-A147 PolarHBondContact N-O 3.3Å; G79-Y149 PolarHBondContact N-O 3.42Å
80S94.5Very high95Very high33 Ų3336.8 Ų36.823%0.23121%0.213CC..SBendtrans-84.3147.2-179.4-73.80000114.5L82 P148 Y149 Y383S80-L82 PolarHBondContact O-N 3.5Å; S80-P148 PolarHBondContact N-O 2.91Å; S80-P148 VanDerWaalsContact N-O 3.12Å; S80-Y149 WeakPolarHBondContact O-CA 3.33Å; S80-Y149 WeakPolarHBondContact O-CD1 3.39Å; S80-Y383 WeakPolarHBondContact OG-CD1 3.43Å
81D93.9Very high94.9Very high110 Ų11037.5 Ų37.559%0.58821%0.212SC*.PPolyproline II helixtrans-49.7131.8164.6-81.922.3000110.4R93D81-R93 IonicContact OD2-NH2 3.29Å; D81-R93 PolarHBondContact OD2-NH2 2.88Å
82L94.8Very high94.7Very high4 Ų441.6 Ų41.62%0.02123%0.227CC..PPolyproline II helixtrans-91.5129179-169.877000111.6S80 S84 K85 A86 Y149 E150 Y228 T314 Q318S80-L82 PolarHBondContact O-N 3.5Å; L82-S84 WeakPolarHBondContact CD2-OG 3.33Å; L82-S84 PolarHBondContact O-N 3.09Å; L82-K85 HydrophobicContact CB-CB 4.2Å; L82-K85 PolarHBondContact O-N 3.29Å; L82-A86 PolarHBondContact O-N 3.39Å; L82-Y149 HydrophobicContact CD1-CD1 3.82Å; L82-Y149 HydrophobicContact CD1-CD2 4.44Å; L82-Y149 HydrophobicContact CD1-CG 3.77Å; L82-E150 WeakPolarHBondContact CD2-OE2 3.49Å; L82-Y228 HydrophobicContact CD2-CD1 4.19Å; L82-Y228 HydrophobicContact CD2-CE1 3.63Å; L82-T314 HydrophobicContact CD2-CG2 3.68Å; L82-Q318 HydrophobicContact CD1-CG 4.32Å
83P94.6Very high94.5Very high73 Ų7345.8 Ų45.847%0.47424%0.242SC..G310 helixtrans-61.7-37-176-2332000114.7K85 A86P83-K85 PolarHBondContact O-N 3.44Å; P83-A86 WeakPolarHBondContact O-CB 3.45Å; P83-A86 PolarHBondContact O-N 3.49Å
84S93Very high94.4Very high27 Ų2751 Ų5119%0.18927%0.266CS..G310 helixtrans-68.9-9.9175.759.50000114.4L82 T314 Y362L82-S84 WeakPolarHBondContact CD2-OG 3.33Å; L82-S84 PolarHBondContact O-N 3.09Å; S84-T314 WeakPolarHBondContact OG-CG2 3.26Å; S84-T314 PolarHBondContact OG-OG1 3.48Å; S84-Y362 PolarHBondContact N-O 3.26Å; S84-Y362 VanDerWaalsContact N-O 3.11Å; S84-Y362 PolarHBondContact OG-O 3.02Å
85K94.1Very high94.1Very high21 Ų2154.8 Ų54.89%0.09129%0.289CS..G310 helixtrans-104.7-6.9176.1-161170.6166.3154.70113.5L82 P83 E87 T88 D89 E150 D227 Y228L82-K85 HydrophobicContact CB-CB 4.2Å; L82-K85 PolarHBondContact O-N 3.29Å; P83-K85 PolarHBondContact O-N 3.44Å; K85-E87 VanDerWaalsContact C-N 3.27Å; K85-E87 PolarHBondContact O-N 2.9Å; K85-E87 VanDerWaalsContact O-N 3.09Å; K85-T88 HydrophobicContact CG-CG2 4.46Å; K85-T88 WeakPolarHBondContact O-CA 3.31Å; K85-T88 WeakPolarHBondContact O-CB 3.21Å; K85-T88 PolarHBondContact O-N 3.05Å; K85-D89 WeakPolarHBondContact CD-OD2 3.32Å; K85-D89 WeakPolarHBondContact CE-OD2 3.35Å; K85-D89 VanDerWaalsContact CG-OD2 3.25Å; K85-D89 WeakPolarHBondContact CG-OD2 3.5Å; K85-D89 PolarHBondContact O-N 3.24Å; K85-E150 WeakPolarHBondContact CD-OE1 3.33Å; K85-E150 WeakPolarHBondContact CE-OE1 3.45Å; K85-E150 IonicContact NZ-OE1 3.68Å; K85-E150 PolarHBondContact NZ-OE1 3.16Å; K85-D227 HydrophobicContact CD-CB 4.32Å; K85-D227 WeakPolarHBondContact CE-OD2 3.35Å; K85-D227 HydrophobicContact CG-CB 4.4Å; K85-D227 IonicContact NZ-OD2 3.75Å; K85-D227 PolarHBondContact NZ-OD2 3Å; K85-Y228 HydrophobicContact CB-CD1 4.08Å; K85-Y228 HydrophobicContact CB-CE1 4.26Å; K85-Y228 HydrophobicContact CD-CE1 4.13Å; K85-Y228 HydrophobicContact CG-CD1 4.39Å; K85-Y228 HydrophobicContact CG-CE1 4.46Å
86A93.4Very high93.9Very high52 Ų5256.2 Ų56.243%0.4330%0.296SS..Hα-helixtrans-54.9-35.1-17100000114.5L82 P83 L90L82-A86 PolarHBondContact O-N 3.39Å; P83-A86 WeakPolarHBondContact O-CB 3.45Å; P83-A86 PolarHBondContact O-N 3.49Å; A86-L90 WeakPolarHBondContact O-CB 3.45Å; A86-L90 PolarHBondContact O-N 3.48Å
87E90.8Very high93.6Very high123 Ų12358 Ų5858%0.57530%0.304SS*.Hα-helixtrans-67-39.5176.1-159.4-154.6173.100112.1K85 K91K85-E87 VanDerWaalsContact C-N 3.27Å; K85-E87 PolarHBondContact O-N 2.9Å; K85-E87 VanDerWaalsContact O-N 3.09Å; E87-K91 WeakPolarHBondContact O-CD 3.07Å; E87-K91 VanDerWaalsContact O-CG 3.27Å; E87-K91 WeakPolarHBondContact O-CG 3.5Å; E87-K91 PolarHBondContact O-N 3.11Å; E87-K91 VanDerWaalsContact OE1-CE 3.27Å; E87-K91 WeakPolarHBondContact OE1-CE 3.46Å; E87-K91 IonicContact OE1-NZ 2.62Å; E87-K91 PolarHBondContact OE1-NZ 3.47Å; E87-K91 IonicContact OE2-NZ 3.34Å; E87-K91 PolarHBondContact OE2-NZ 3.46Å
88T90.8Very high93.5Very high30 Ų3062.4 Ų62.418%0.18433%0.327CS..Hα-helixtrans-68.6-45.2177.8-71.90000110.9K85 K91 R92 D227K85-T88 HydrophobicContact CG-CG2 4.46Å; K85-T88 WeakPolarHBondContact O-CA 3.31Å; K85-T88 WeakPolarHBondContact O-CB 3.21Å; K85-T88 PolarHBondContact O-N 3.05Å; T88-K91 PolarHBondContact O-N 3.05Å; T88-R92 WeakPolarHBondContact O-CD 3.36Å; T88-R92 VanDerWaalsContact O-CG 3.3Å; T88-R92 WeakPolarHBondContact O-CG 3.49Å; T88-R92 PolarHBondContact O-N 3.29Å; T88-D227 WeakPolarHBondContact CB-O 3.48Å; T88-D227 HydrophobicContact CG2-CB 4.45Å; T88-D227 PolarHBondContact OG1-O 2.72Å
89D91.8Very high93.4Very high32 Ų3260.9 Ų60.917%0.17132%0.319CS..Hα-helixtrans-76.2-27.9-179.1-67.8-36.4000113.2K85 R92 R93K85-D89 WeakPolarHBondContact CD-OD2 3.32Å; K85-D89 WeakPolarHBondContact CE-OD2 3.35Å; K85-D89 VanDerWaalsContact CG-OD2 3.25Å; K85-D89 WeakPolarHBondContact CG-OD2 3.5Å; K85-D89 PolarHBondContact O-N 3.24Å; D89-R92 PolarHBondContact O-N 3.23Å; D89-R92 WeakPolarHBondContact OD1-CD 3.21Å; D89-R92 IonicContact OD1-CZ 3.79Å; D89-R92 IonicContact OD1-NE 3.67Å; D89-R92 IonicContact OD1-NH1 3.04Å; D89-R92 PolarHBondContact OD1-NH1 2.86Å; D89-R93 VanDerWaalsContact O-CB 3.24Å; D89-R93 WeakPolarHBondContact O-CB 3.33Å; D89-R93 PolarHBondContact O-N 2.72Å
90L92.7Very high93.2Very high81 Ų8161.3 Ų61.342%0.42431%0.314SS..Hα-helixtrans-60.2-51.6166.1178.860.8000111.3A86 R92 R93 E94A86-L90 WeakPolarHBondContact O-CB 3.45Å; A86-L90 PolarHBondContact O-N 3.48Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 3.33Å; L90-R93 WeakPolarHBondContact O-CB 3.43Å; L90-R93 PolarHBondContact O-N 3.04Å; L90-E94 HydrophobicContact CD1-CG 4.2Å; L90-E94 HydrophobicContact CG-CG 4.48Å; L90-E94 WeakPolarHBondContact O-CG 3.34Å; L90-E94 PolarHBondContact O-N 3.17Å
91K92.6Very high93.2Very high94 Ų9462.9 Ų62.941%0.40932%0.316SS..Hα-helixtrans-58.6-37177.4-70.4163.9-173.7166.70112.2E87 T88 T95E87-K91 WeakPolarHBondContact O-CD 3.07Å; E87-K91 VanDerWaalsContact O-CG 3.27Å; E87-K91 WeakPolarHBondContact O-CG 3.5Å; E87-K91 PolarHBondContact O-N 3.11Å; E87-K91 VanDerWaalsContact OE1-CE 3.27Å; E87-K91 WeakPolarHBondContact OE1-CE 3.46Å; E87-K91 IonicContact OE1-NZ 2.62Å; E87-K91 PolarHBondContact OE1-NZ 3.47Å; E87-K91 IonicContact OE2-NZ 3.34Å; E87-K91 PolarHBondContact OE2-NZ 3.46Å; T88-K91 PolarHBondContact O-N 3.05Å; K91-T95 VanDerWaalsContact O-CB 3.29Å; K91-T95 WeakPolarHBondContact O-CB 3.29Å; K91-T95 PolarHBondContact O-N 2.98Å; K91-T95 PolarHBondContact O-OG1 3.08Å
92R91.6Very high93.2Very high90 Ų9061.6 Ų61.634%0.3431%0.306SS..Hα-helixtrans-65.3-46.3173.6-72160.2170.7-176.6-1.6111.4T88 D89 L90 T95 K96 D227T88-R92 WeakPolarHBondContact O-CD 3.36Å; T88-R92 VanDerWaalsContact O-CG 3.3Å; T88-R92 WeakPolarHBondContact O-CG 3.49Å; T88-R92 PolarHBondContact O-N 3.29Å; D89-R92 PolarHBondContact O-N 3.23Å; D89-R92 WeakPolarHBondContact OD1-CD 3.21Å; D89-R92 IonicContact OD1-CZ 3.79Å; D89-R92 IonicContact OD1-NE 3.67Å; D89-R92 IonicContact OD1-NH1 3.04Å; D89-R92 PolarHBondContact OD1-NH1 2.86Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 3.33Å; R92-T95 PolarHBondContact O-N 3.42Å; R92-K96 WeakPolarHBondContact O-CG 3.44Å; R92-K96 PolarHBondContact O-N 3.04Å; R92-D227 IonicContact CZ-OD1 2.93Å; R92-D227 IonicContact CZ-OD2 3.54Å; R92-D227 VanDerWaalsContact CZ-OD2 3.29Å; R92-D227 IonicContact NH1-OD2 3.94Å; R92-D227 PolarHBondContact NH1-OD2 3.22Å; R92-D227 VanDerWaalsContact NH1-OD2 3.12Å; R92-D227 IonicContact NH2-OD1 3.9Å; R92-D227 PolarHBondContact NH2-OD1 2.85Å; R92-D227 IonicContact NH2-OD2 2.76Å; R92-D227 PolarHBondContact NH2-OD2 2.6Å
93R92.7Very high93.2Very high113 Ų11361.4 Ų61.443%0.42631%0.305SS..Hα-helixtrans-61.2-47.6178.6-169.7-179-68.4134.9-4.8111.7D81 D89 L90 K96 E97 F124D81-R93 IonicContact OD2-NH2 3.29Å; D81-R93 PolarHBondContact OD2-NH2 2.88Å; D89-R93 VanDerWaalsContact O-CB 3.24Å; D89-R93 WeakPolarHBondContact O-CB 3.33Å; D89-R93 PolarHBondContact O-N 2.72Å; L90-R93 WeakPolarHBondContact O-CB 3.43Å; L90-R93 PolarHBondContact O-N 3.04Å; R93-K96 PolarHBondContact O-N 3.32Å; R93-E97 PolarHBondContact O-N 3.13Å; R93-F124 HydrophobicContact CB-CE1 4.42Å; R93-F124 HydrophobicContact CG-CE1 4.1Å; R93-F124 HydrophobicContact CG-CZ 4.21Å
94E94.5Very high93.1Very high114 Ų11458.2 Ų58.253%0.53328%0.284SS..Hα-helixtrans-60.7-45.5174.4-69.8179.6151.700112.5L90 K96 E97 L98L90-E94 HydrophobicContact CD1-CG 4.2Å; L90-E94 HydrophobicContact CG-CG 4.48Å; L90-E94 WeakPolarHBondContact O-CG 3.34Å; L90-E94 PolarHBondContact O-N 3.17Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.17Å; E94-E97 PolarHBondContact O-N 3.32Å; E94-L98 WeakPolarHBondContact O-CB 3.24Å; E94-L98 PolarHBondContact O-N 3.36Å
95T93.6Very high93.2Very high80 Ų8060.7 Ų60.749%0.49129%0.293SS..Hα-helixtrans-61.8-41.4178.9-620000111.4K91 R92 L98 N99K91-T95 VanDerWaalsContact O-CB 3.29Å; K91-T95 WeakPolarHBondContact O-CB 3.29Å; K91-T95 PolarHBondContact O-N 2.98Å; K91-T95 PolarHBondContact O-OG1 3.08Å; R92-T95 PolarHBondContact O-N 3.42Å; T95-L98 PolarHBondContact O-N 2.88Å; T95-N99 PolarHBondContact O-N 3.2Å; T95-N99 VanDerWaalsContact O-N 3.09Å; T95-N99 PolarHBondContact O-ND2 3.33Å
96K93.4Very high93.3Very high31 Ų3163.5 Ų63.514%0.13530%0.303CS..Hα-helixtrans-66.4-45.9177-72.9176.9179-164.40111.8H36 R92 R93 E94 L98 N99 R100 S122 V123 F124H36-K96 PolarHBondContact NE2-NZ 2.93Å; R92-K96 WeakPolarHBondContact O-CG 3.44Å; R92-K96 PolarHBondContact O-N 3.04Å; R93-K96 PolarHBondContact O-N 3.32Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.17Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.36Å; K96-N99 PolarHBondContact O-N 3.09Å; K96-R100 WeakPolarHBondContact O-CB 3.27Å; K96-R100 PolarHBondContact O-N 3.06Å; K96-S122 WeakPolarHBondContact O-CB 3.13Å; K96-V123 WeakPolarHBondContact CD-O 3.46Å; K96-V123 WeakPolarHBondContact CE-O 3.3Å; K96-V123 PolarHBondContact NZ-O 3.48Å; K96-F124 HydrophobicContact CB-CD2 4.26Å; K96-F124 HydrophobicContact CB-CE1 4.18Å; K96-F124 HydrophobicContact CB-CE2 3.45Å; K96-F124 VanDerWaalsContact CB-CE2 3.45Å; K96-F124 HydrophobicContact CB-CZ 3.41Å; K96-F124 VanDerWaalsContact CB-CZ 3.41Å; K96-F124 HydrophobicContact CD-CD1 3.83Å; K96-F124 HydrophobicContact CD-CD2 4.18Å; K96-F124 HydrophobicContact CD-CE1 3.65Å; K96-F124 HydrophobicContact CD-CE2 4.03Å; K96-F124 HydrophobicContact CD-CG 4.1Å; K96-F124 HydrophobicContact CD-CZ 3.77Å; K96-F124 HydrophobicContact CG-CE2 4.36Å; K96-F124 HydrophobicContact CG-CZ 4.22Å
97E92.8Very high93.2Very high36 Ų3661.6 Ų61.617%0.16829%0.286CS..Hα-helixtrans-62.2-36.6175.9173.667.4174.800112.5R93 E94 R100 K101 L818R93-E97 PolarHBondContact O-N 3.13Å; E94-E97 PolarHBondContact O-N 3.32Å; E97-R100 WeakPolarHBondContact O-CB 3.32Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 IonicContact OE1-NH2 3.22Å; E97-R100 IonicContact OE2-CZ 3.66Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.68Å; E97-R100 PolarHBondContact OE2-NE 3.45Å; E97-R100 IonicContact OE2-NH2 3.32Å; E97-R100 PolarHBondContact OE2-NH2 3.3Å; E97-K101 WeakPolarHBondContact O-CG 3.37Å; E97-K101 PolarHBondContact O-N 3.47Å; E97-K101 WeakPolarHBondContact OE1-CE 3.17Å; E97-K101 IonicContact OE1-NZ 3.74Å; E97-K101 PolarHBondContact OE1-NZ 2.91Å; E97-K101 VanDerWaalsContact OE1-NZ 3.09Å; E97-L818 WeakPolarHBondContact OE1-CD1 3.37Å
98L94.6Very high93.2Very high95 Ų9562.3 Ų62.350%0.49729%0.291SS..Hα-helixtrans-66.4-39173.9179.561000112.3E94 T95 K96 K102E94-L98 WeakPolarHBondContact O-CB 3.24Å; E94-L98 PolarHBondContact O-N 3.36Å; T95-L98 PolarHBondContact O-N 2.88Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.36Å; L98-K102 WeakPolarHBondContact O-CG 3.48Å; L98-K102 PolarHBondContact O-N 3.01Å
99N94.7Very high93.3Very high18 Ų1866.8 Ų66.810%0.09631%0.308CS..Hα-helixtrans-68.4-37.3172.9-76.2-75.3000111.2T95 K96 K101 K102 A103 C118 R121T95-N99 PolarHBondContact O-N 3.2Å; T95-N99 VanDerWaalsContact O-N 3.09Å; T95-N99 PolarHBondContact O-ND2 3.33Å; K96-N99 PolarHBondContact O-N 3.09Å; N99-K101 VanDerWaalsContact C-N 3.33Å; N99-K101 PolarHBondContact O-N 2.89Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.41Å; N99-K102 VanDerWaalsContact O-N 3.15Å; N99-A103 PolarHBondContact O-N 2.9Å; N99-C118 WeakPolarHBondContact O-CB 3.32Å; N99-R121 HydrophobicContact CB-CB 3.96Å
100R92.7Very high93.4Very high31 Ų3167.9 Ų67.912%0.11733%0.327CS..Hα-helixtrans-58.8-42.5174.3-167.8167.778127.7-0.8112K96 E97 A103 A104 S815 L818 D819 F822K96-R100 WeakPolarHBondContact O-CB 3.27Å; K96-R100 PolarHBondContact O-N 3.06Å; E97-R100 WeakPolarHBondContact O-CB 3.32Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 IonicContact OE1-NH2 3.22Å; E97-R100 IonicContact OE2-CZ 3.66Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.68Å; E97-R100 PolarHBondContact OE2-NE 3.45Å; E97-R100 IonicContact OE2-NH2 3.32Å; E97-R100 PolarHBondContact OE2-NH2 3.3Å; R100-A103 PolarHBondContact O-N 3.36Å; R100-A104 PolarHBondContact O-N 3.1Å; R100-A104 VanDerWaalsContact O-N 3.16Å; R100-S815 PolarHBondContact NH2-O 2.96Å; R100-L818 HydrophobicContact CG-CD1 4.39Å; R100-D819 IonicContact CZ-OD1 2.93Å; R100-D819 IonicContact CZ-OD2 3.22Å; R100-D819 IonicContact NH1-OD1 3.61Å; R100-D819 PolarHBondContact NH1-OD1 3.29Å; R100-D819 IonicContact NH1-OD2 2.68Å; R100-D819 PolarHBondContact NH1-OD2 2.94Å; R100-D819 IonicContact NH2-OD2 3.6Å; R100-D819 PolarHBondContact NH2-OD2 3.3Å; R100-F822 HydrophobicContact CG-CE2 3.56Å; R100-F822 HydrophobicContact CG-CZ 4.02Å
101K93.5Very high93.4Very high66 Ų6667.2 Ų67.229%0.28732%0.324SS..Hα-helixtrans-60.9-44.7173.3-74.3172.5-174.8172.70112.5E97 N99 A103 A104 E105 V813 L818E97-K101 WeakPolarHBondContact O-CG 3.37Å; E97-K101 PolarHBondContact O-N 3.47Å; E97-K101 WeakPolarHBondContact OE1-CE 3.17Å; E97-K101 IonicContact OE1-NZ 3.74Å; E97-K101 PolarHBondContact OE1-NZ 2.91Å; E97-K101 VanDerWaalsContact OE1-NZ 3.09Å; N99-K101 VanDerWaalsContact C-N 3.33Å; N99-K101 PolarHBondContact O-N 2.89Å; K101-A103 PolarHBondContact O-N 3.22Å; K101-A104 PolarHBondContact O-N 3.07Å; K101-E105 PolarHBondContact O-N 3.01Å; K101-E105 VanDerWaalsContact O-N 3.07Å; K101-V813 VanDerWaalsContact CE-O 3.24Å; K101-V813 WeakPolarHBondContact CE-O 3.48Å; K101-V813 PolarHBondContact NZ-O 3.16Å; K101-L818 HydrophobicContact CD-CD1 4.31Å; K101-L818 HydrophobicContact CG-CD1 3.54Å; K101-L818 HydrophobicContact CG-CD2 4.17Å; K101-L818 HydrophobicContact CG-CG 4.4Å
102K95.1Very high93.4Very high83 Ų8369.8 Ų69.836%0.36134%0.335SS..Hα-helixtrans-63.7-38.8175.8-68.8172.1-177.3177.80112.5L98 N99 A104 E105 Y106 C118L98-K102 WeakPolarHBondContact O-CG 3.48Å; L98-K102 PolarHBondContact O-N 3.01Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.41Å; N99-K102 VanDerWaalsContact O-N 3.15Å; K102-A104 PolarHBondContact O-N 2.84Å; K102-E105 WeakPolarHBondContact O-CB 3.46Å; K102-E105 PolarHBondContact O-N 3.21Å; K102-Y106 HydrophobicContact CB-CD2 4.37Å; K102-Y106 HydrophobicContact CB-CE2 4.18Å; K102-Y106 WeakPolarHBondContact O-CD2 3.49Å; K102-Y106 PolarHBondContact O-N 2.96Å; K102-C118 HydrophobicContact CB-CB 4.38Å; K102-C118 VanDerWaalsContact CB-SG 3.6Å
103A94.4Very high93.5Very high0 Ų069 Ų690%035%0.348CS..Hα-helixtrans-59.9-46.5175.700000111.4N99 R100 K101 E105 Y106 L107 C118 F119N99-A103 PolarHBondContact O-N 2.9Å; R100-A103 PolarHBondContact O-N 3.36Å; K101-A103 PolarHBondContact O-N 3.22Å; A103-E105 PolarHBondContact O-N 3.1Å; A103-Y106 PolarHBondContact O-N 2.84Å; A103-L107 WeakPolarHBondContact O-CG 3.43Å; A103-L107 PolarHBondContact O-N 3.16Å; A103-C118 HydrophobicContact CB-CB 3.72Å; A103-F119 HydrophobicContact CB-CD1 3.56Å; A103-F119 HydrophobicContact CB-CD2 4.46Å; A103-F119 HydrophobicContact CB-CE1 3.48Å; A103-F119 VanDerWaalsContact CB-CE1 3.48Å; A103-F119 HydrophobicContact CB-CE2 4.39Å; A103-F119 HydrophobicContact CB-CG 4.08Å; A103-F119 HydrophobicContact CB-CZ 3.93Å
104A92.6Very high93.6Very high6 Ų664.5 Ų64.55%0.0533%0.334CS..Hα-helixtrans-58.2-46.217400000112.3R100 K101 K102 Y106 L107 M108 L818 F821 F822R100-A104 PolarHBondContact O-N 3.1Å; R100-A104 VanDerWaalsContact O-N 3.16Å; K101-A104 PolarHBondContact O-N 3.07Å; K102-A104 PolarHBondContact O-N 2.84Å; A104-Y106 PolarHBondContact O-N 2.88Å; A104-L107 PolarHBondContact O-N 2.93Å; A104-M108 WeakPolarHBondContact O-CG 3.18Å; A104-M108 PolarHBondContact O-N 2.89Å; A104-L818 HydrophobicContact CB-CD2 3.94Å; A104-F821 HydrophobicContact CB-CD1 3.78Å; A104-F821 HydrophobicContact CB-CE1 3.56Å; A104-F821 HydrophobicContact CB-CZ 4.14Å; A104-F822 HydrophobicContact CB-CE1 4.03Å; A104-F822 HydrophobicContact CB-CZ 3.71Å
105E94.3Very high93.6Very high78 Ų7859 Ų5936%0.36431%0.309SS..Hα-helixtrans-59.5-42.1175.9-81.8-169-132.300113.6K101 K102 A103 M108 K109K101-E105 PolarHBondContact O-N 3.01Å; K101-E105 VanDerWaalsContact O-N 3.07Å; K102-E105 WeakPolarHBondContact O-CB 3.46Å; K102-E105 PolarHBondContact O-N 3.21Å; A103-E105 PolarHBondContact O-N 3.1Å; E105-M108 PolarHBondContact O-N 3.29Å; E105-K109 VanDerWaalsContact O-CD 3.29Å; E105-K109 WeakPolarHBondContact O-CD 3.48Å; E105-K109 WeakPolarHBondContact O-CE 3.17Å; E105-K109 VanDerWaalsContact O-CG 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.42Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 VanDerWaalsContact O-N 3.15Å; E105-K109 IonicContact OE2-NZ 3.04Å; E105-K109 PolarHBondContact OE2-NZ 2.82Å
106Y95.6Very high93.6Very high80 Ų8057.7 Ų57.731%0.31430%0.297SS..Hα-helixtrans-70-39.6178.6-72.6-55.9000111.7K102 A103 A104 M108 K109 G110 D111 A114K102-Y106 HydrophobicContact CB-CD2 4.37Å; K102-Y106 HydrophobicContact CB-CE2 4.18Å; K102-Y106 WeakPolarHBondContact O-CD2 3.49Å; K102-Y106 PolarHBondContact O-N 2.96Å; A103-Y106 PolarHBondContact O-N 2.84Å; A104-Y106 PolarHBondContact O-N 2.88Å; Y106-M108 VanDerWaalsContact C-N 3.3Å; Y106-M108 PolarHBondContact O-N 2.86Å; Y106-K109 HydrophobicContact CD1-CD 4.41Å; Y106-K109 CarbonylContact O-C 3.59Å; Y106-K109 WeakPolarHBondContact O-CA 3.43Å; Y106-K109 PolarHBondContact O-N 2.87Å; Y106-G110 PolarHBondContact O-N 2.99Å; Y106-D111 HydrophobicContact CD1-CB 4.26Å; Y106-D111 PolarHBondContact O-N 3.38Å; Y106-A114 HydrophobicContact CD1-CB 3.65Å; Y106-A114 HydrophobicContact CD2-CB 3.68Å; Y106-A114 HydrophobicContact CE1-CB 3.8Å; Y106-A114 HydrophobicContact CE2-CB 3.81Å; Y106-A114 HydrophobicContact CG-CB 3.61Å
107L92Very high93.6Very high13 Ų1360.9 Ų60.97%0.06831%0.312CS..Hα-helixtrans-61.4-35.6171.4-70.2-170.4000112.9A103 A104 K109 G110 A115 F119 F822 W825A103-L107 WeakPolarHBondContact O-CG 3.43Å; A103-L107 PolarHBondContact O-N 3.16Å; A104-L107 PolarHBondContact O-N 2.93Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-G110 PolarHBondContact O-N 3.32Å; L107-A115 HydrophobicContact CD2-CB 3.38Å; L107-A115 HydrophobicContact CG-CB 3.69Å; L107-F119 HydrophobicContact CD1-CE2 3.92Å; L107-F119 HydrophobicContact CD1-CZ 3.64Å; L107-F119 HydrophobicContact CD2-CE2 4.48Å; L107-F119 HydrophobicContact CG-CE2 4.35Å; L107-F119 HydrophobicContact CG-CZ 4.36Å; L107-F822 HydrophobicContact CD1-CD1 4.46Å; L107-F822 HydrophobicContact CD1-CE1 4.24Å; L107-W825 HydrophobicContact CB-CZ2 3.9Å; L107-W825 HydrophobicContact CD1-CD2 3.78Å; L107-W825 HydrophobicContact CD1-CE3 3.94Å; L107-W825 HydrophobicContact CD1-CG 4.22Å; L107-W825 HydrophobicContact CD1-CH2 4.32Å; L107-W825 HydrophobicContact CD1-CZ2 4.17Å; L107-W825 HydrophobicContact CD1-CZ3 4.21Å; L107-W825 HydrophobicContact CD2-CH2 3.7Å; L107-W825 HydrophobicContact CD2-CZ2 3.77Å; L107-W825 HydrophobicContact CD2-CZ3 4.2Å; L107-W825 HydrophobicContact CG-CH2 4.44Å; L107-W825 HydrophobicContact CG-CZ2 4.16Å
108M91Very high93.7Very high137 Ų13759.4 Ų59.468%0.67531%0.306SS*.Hα-helixtrans-67.4-29.3172.4-72.2-178.769.300113.1A104 E105 Y106 G110 F821A104-M108 WeakPolarHBondContact O-CG 3.18Å; A104-M108 PolarHBondContact O-N 2.89Å; E105-M108 PolarHBondContact O-N 3.29Å; Y106-M108 VanDerWaalsContact C-N 3.3Å; Y106-M108 PolarHBondContact O-N 2.86Å; M108-G110 VanDerWaalsContact C-N 3.34Å; M108-F821 HydrophobicContact CG-CE2 3.61Å; M108-F821 HydrophobicContact CG-CZ 3.67Å; M108-F821 HydrophobicContact SD-CE2 3.86Å; M108-F821 HydrophobicContact SD-CZ 4.35Å
109K93.8Very high93.6Very high124 Ų12455.2 Ų55.254%0.53928%0.284SS..Hα-helixtrans-85.2-6.2176.5-64.7158.9-162166.30112.8E105 Y106 L107 D111E105-K109 VanDerWaalsContact O-CD 3.29Å; E105-K109 WeakPolarHBondContact O-CD 3.48Å; E105-K109 WeakPolarHBondContact O-CE 3.17Å; E105-K109 VanDerWaalsContact O-CG 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.42Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 VanDerWaalsContact O-N 3.15Å; E105-K109 IonicContact OE2-NZ 3.04Å; E105-K109 PolarHBondContact OE2-NZ 2.82Å; Y106-K109 HydrophobicContact CD1-CD 4.41Å; Y106-K109 CarbonylContact O-C 3.59Å; Y106-K109 WeakPolarHBondContact O-CA 3.43Å; Y106-K109 PolarHBondContact O-N 2.87Å; L107-K109 VanDerWaalsContact C-N 3.3Å; K109-D111 VanDerWaalsContact C-N 3.29Å
110G92.5Very high93.5Very high55 Ų5557 Ų5757%0.56729%0.292SS*.THydrogen-bonded Turntrans81.2-0.3-174.900000114.9Y106 L107 M108 K112Y106-G110 PolarHBondContact O-N 2.99Å; L107-G110 PolarHBondContact O-N 3.32Å; M108-G110 VanDerWaalsContact C-N 3.34Å; G110-K112 PolarHBondContact O-N 3.2Å
111D94.2Very high93.5Very high67 Ų6761.5 Ų61.536%0.35831%0.309SS..  trans-79.983.8179.6-171.7-14000110.6Y106 K109 A113 A114 A115Y106-D111 HydrophobicContact CD1-CB 4.26Å; Y106-D111 PolarHBondContact O-N 3.38Å; K109-D111 VanDerWaalsContact C-N 3.29Å; D111-A113 PolarHBondContact O-N 3.17Å; D111-A113 PolarHBondContact OD1-N 3.39Å; D111-A113 VanDerWaalsContact OD1-N 3.12Å; D111-A114 HydrophobicContact CB-CB 4.42Å; D111-A114 VanDerWaalsContact CG-CB 3.47Å; D111-A114 PolarHBondContact OD1-N 3.29Å; D111-A114 VanDerWaalsContact OD2-CB 3.24Å; D111-A114 WeakPolarHBondContact OD2-CB 3.11Å; D111-A115 VanDerWaalsContact O-CB 3.27Å; D111-A115 WeakPolarHBondContact O-CB 3.5Å; D111-A115 PolarHBondContact O-N 3.34Å; D111-A115 VanDerWaalsContact O-N 3.11Å
112K91.9Very high93.5Very high149 Ų14958.7 Ų58.765%0.64830%0.297SS*.Hα-helixtrans-64.1-25.8177.6-61.5-171.3-179.2-171.20112.7G110 Q116G110-K112 PolarHBondContact O-N 3.2Å; K112-Q116 WeakPolarHBondContact O-CB 3.33Å; K112-Q116 PolarHBondContact O-N 2.94Å
113A93.7Very high93.3Very high74 Ų7455.1 Ų55.161%0.61228%0.282SS*.Hα-helixtrans-77.1-49.7-176.800000111.6D111 A115 Q116 E117D111-A113 PolarHBondContact O-N 3.17Å; D111-A113 PolarHBondContact OD1-N 3.39Å; D111-A113 VanDerWaalsContact OD1-N 3.12Å; A113-A115 VanDerWaalsContact C-N 3.29Å; A113-A115 PolarHBondContact O-N 2.62Å; A113-Q116 PolarHBondContact O-N 3.34Å; A113-E117 PolarHBondContact O-N 3.27Å; A113-E117 VanDerWaalsContact O-N 3.09Å
114A94.9Very high93.1Very high17 Ų1759.1 Ų59.114%0.1430%0.3CS..Hα-helixtrans-67.8-31.1174.700000112Y106 D111 C118Y106-A114 HydrophobicContact CD1-CB 3.65Å; Y106-A114 HydrophobicContact CD2-CB 3.68Å; Y106-A114 HydrophobicContact CE1-CB 3.8Å; Y106-A114 HydrophobicContact CE2-CB 3.81Å; Y106-A114 HydrophobicContact CG-CB 3.61Å; D111-A114 HydrophobicContact CB-CB 4.42Å; D111-A114 VanDerWaalsContact CG-CB 3.47Å; D111-A114 PolarHBondContact OD1-N 3.29Å; D111-A114 VanDerWaalsContact OD2-CB 3.24Å; D111-A114 WeakPolarHBondContact OD2-CB 3.11Å; A114-C118 PolarHBondContact O-N 3.03Å; A114-C118 VanDerWaalsContact O-N 3.09Å
115A94.1Very high93.1Very high0 Ų060.1 Ų60.10%031%0.305CS..Hα-helixtrans-61.8-47.8170.700000112.2L107 D111 A113 E117 C118 F119L107-A115 HydrophobicContact CD2-CB 3.38Å; L107-A115 HydrophobicContact CG-CB 3.69Å; D111-A115 VanDerWaalsContact O-CB 3.27Å; D111-A115 WeakPolarHBondContact O-CB 3.5Å; D111-A115 PolarHBondContact O-N 3.34Å; D111-A115 VanDerWaalsContact O-N 3.11Å; A113-A115 VanDerWaalsContact C-N 3.29Å; A113-A115 PolarHBondContact O-N 2.62Å; A115-E117 PolarHBondContact O-N 3.24Å; A115-C118 CarbonylContact O-C 3.55Å; A115-C118 WeakPolarHBondContact O-CB 3.47Å; A115-C118 PolarHBondContact O-N 2.68Å; A115-C118 VanDerWaalsContact O-N 3.12Å; A115-F119 HydrophobicContact CB-CE2 4.37Å; A115-F119 WeakPolarHBondContact O-CD2 3.39Å; A115-F119 WeakPolarHBondContact O-CG 3.44Å; A115-F119 PolarHBondContact O-N 2.7Å
116Q92.8Very high92.9Very high51 Ų5159.2 Ų59.224%0.23831%0.305CS..Hα-helixtrans-58.7-45176.317760.822.700112.1K112 A113 C118 F119 E120K112-Q116 WeakPolarHBondContact O-CB 3.33Å; K112-Q116 PolarHBondContact O-N 2.94Å; A113-Q116 PolarHBondContact O-N 3.34Å; Q116-C118 PolarHBondContact O-N 2.98Å; Q116-F119 PolarHBondContact O-N 2.73Å; Q116-F119 VanDerWaalsContact O-N 3.12Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.32Å; Q116-E120 PolarHBondContact NE2-OE1 2.92Å; Q116-E120 WeakPolarHBondContact O-CG 3.32Å; Q116-E120 PolarHBondContact O-N 3.37Å
117E93.9Very high92.7Very high98 Ų9858.9 Ų58.946%0.45831%0.314SS..Hα-helixtrans-65.9-23.7177.8-154.4-163.213500113A113 A115 R121A113-E117 PolarHBondContact O-N 3.27Å; A113-E117 VanDerWaalsContact O-N 3.09Å; A115-E117 PolarHBondContact O-N 3.24Å; E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-NH1 2.95Å; E117-R121 IonicContact OE1-CZ 3.11Å; E117-R121 IonicContact OE1-NH1 2.7Å; E117-R121 PolarHBondContact OE1-NH1 3.37Å; E117-R121 IonicContact OE1-NH2 2.68Å; E117-R121 PolarHBondContact OE1-NH2 2.9Å
118C94.8Very high92.6Very high6 Ų665 Ų654%0.04134%0.343CS..Hα-helixtrans-81.8-37.9169.8-780000112.5N99 K102 A103 A114 A115 Q116 R121 S122N99-C118 WeakPolarHBondContact O-CB 3.32Å; K102-C118 HydrophobicContact CB-CB 4.38Å; K102-C118 VanDerWaalsContact CB-SG 3.6Å; A103-C118 HydrophobicContact CB-CB 3.72Å; A114-C118 PolarHBondContact O-N 3.03Å; A114-C118 VanDerWaalsContact O-N 3.09Å; A115-C118 CarbonylContact O-C 3.55Å; A115-C118 WeakPolarHBondContact O-CB 3.47Å; A115-C118 PolarHBondContact O-N 2.68Å; A115-C118 VanDerWaalsContact O-N 3.12Å; Q116-C118 PolarHBondContact O-N 2.98Å; C118-R121 CarbonylContact O-C 3.58Å; C118-R121 PolarHBondContact O-N 2.96Å; C118-R121 VanDerWaalsContact O-N 3.1Å; C118-S122 PolarHBondContact O-N 3.35Å; C118-S122 PolarHBondContact O-OG 2.81Å
119F93.5Very high92.8Very high6 Ų659 Ų593%0.02631%0.313CS..Hα-helixtrans-61.6-45.8174.7-72.9-46.6000112.1A43 A47 A103 L107 A115 Q116 R121 S122 V123 F822A43-F119 HydrophobicContact CB-CB 4.09Å; A47-F119 HydrophobicContact CB-CD1 3.27Å; A47-F119 HydrophobicContact CB-CE1 3.4Å; A47-F119 VanDerWaalsContact CB-CE1 3.4Å; A47-F119 HydrophobicContact CB-CG 4.07Å; A47-F119 HydrophobicContact CB-CZ 4.28Å; A103-F119 HydrophobicContact CB-CD1 3.56Å; A103-F119 HydrophobicContact CB-CD2 4.46Å; A103-F119 HydrophobicContact CB-CE1 3.48Å; A103-F119 VanDerWaalsContact CB-CE1 3.48Å; A103-F119 HydrophobicContact CB-CE2 4.39Å; A103-F119 HydrophobicContact CB-CG 4.08Å; A103-F119 HydrophobicContact CB-CZ 3.93Å; L107-F119 HydrophobicContact CD1-CE2 3.92Å; L107-F119 HydrophobicContact CD1-CZ 3.64Å; L107-F119 HydrophobicContact CD2-CE2 4.48Å; L107-F119 HydrophobicContact CG-CE2 4.35Å; L107-F119 HydrophobicContact CG-CZ 4.36Å; A115-F119 HydrophobicContact CB-CE2 4.37Å; A115-F119 WeakPolarHBondContact O-CD2 3.39Å; A115-F119 WeakPolarHBondContact O-CG 3.44Å; A115-F119 PolarHBondContact O-N 2.7Å; Q116-F119 PolarHBondContact O-N 2.73Å; Q116-F119 VanDerWaalsContact O-N 3.12Å; F119-R121 PolarHBondContact O-N 3.41Å; F119-R121 VanDerWaalsContact O-N 3.1Å; F119-S122 WeakPolarHBondContact CA-OG 3.47Å; F119-S122 PolarHBondContact O-N 2.92Å; F119-S122 PolarHBondContact O-OG 3.05Å; F119-V123 WeakPolarHBondContact O-CG2 3.4Å; F119-V123 PolarHBondContact O-N 3.42Å; F119-F822 HydrophobicContact CE1-CD1 4.16Å; F119-F822 AromaticContact CE1-CE1 3.53Å; F119-F822 HydrophobicContact CE1-CE1 3.53Å; F119-F822 AromaticContact CE1-CZ 3.88Å; F119-F822 HydrophobicContact CE1-CZ 3.88Å; F119-F822 HydrophobicContact CZ-CD1 4.09Å; F119-F822 AromaticContact CZ-CE1 3.62Å; F119-F822 HydrophobicContact CZ-CE1 3.62Å; F119-F822 HydrophobicContact CZ-CZ 4.4Å
120E93.2Very high92.9Very high57 Ų5753.4 Ų53.427%0.26629%0.29SS..Hα-helixtrans-54.9-29.7173.9-72.6171.6-161.300111.9Y40 A43 Q116Y40-E120 HydrophobicContact CD1-CB 4.35Å; Y40-E120 VanDerWaalsContact CD1-O 3.29Å; Y40-E120 WeakPolarHBondContact CD1-O 3.42Å; Y40-E120 WeakPolarHBondContact CE1-O 3.15Å; A43-E120 HydrophobicContact CB-CG 4.04Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.32Å; Q116-E120 PolarHBondContact NE2-OE1 2.92Å; Q116-E120 WeakPolarHBondContact O-CG 3.32Å; Q116-E120 PolarHBondContact O-N 3.37Å
121R92.4Very high93Very high125 Ų12552 Ų5247%0.47227%0.268SS..Hα-helixtrans-91.3-9.6176.3-66.5-177.1-177.1116.50.6115.2N99 E117 C118 F119N99-R121 HydrophobicContact CB-CB 3.96Å; E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-NH1 2.95Å; E117-R121 IonicContact OE1-CZ 3.11Å; E117-R121 IonicContact OE1-NH1 2.7Å; E117-R121 PolarHBondContact OE1-NH1 3.37Å; E117-R121 IonicContact OE1-NH2 2.68Å; E117-R121 PolarHBondContact OE1-NH2 2.9Å; C118-R121 CarbonylContact O-C 3.58Å; C118-R121 PolarHBondContact O-N 2.96Å; C118-R121 VanDerWaalsContact O-N 3.1Å; F119-R121 PolarHBondContact O-N 3.41Å; F119-R121 VanDerWaalsContact O-N 3.1Å
122S92.9Very high93.1Very high6 Ų652.4 Ų52.44%0.04227%0.268CS..Hα-helixtrans-106.70.5179.667.40000114.5K96 C118 F119 F124K96-S122 WeakPolarHBondContact O-CB 3.13Å; C118-S122 PolarHBondContact O-N 3.35Å; C118-S122 PolarHBondContact O-OG 2.81Å; F119-S122 WeakPolarHBondContact CA-OG 3.47Å; F119-S122 PolarHBondContact O-N 2.92Å; F119-S122 PolarHBondContact O-OG 3.05Å; S122-F124 VanDerWaalsContact O-CD2 3.31Å; S122-F124 WeakPolarHBondContact O-CD2 3.45Å; S122-F124 PolarHBondContact O-N 3.24Å
123V91Very high93.4Very high8 Ų845.4 Ų45.45%0.04824%0.237CC..PPolyproline II helixtrans-52.7121.6177.3176.60000111.2Y40 A43 L46 K96 F119Y40-V123 HydrophobicContact CD1-CG2 4.41Å; A43-V123 HydrophobicContact CB-CG2 3.68Å; L46-V123 HydrophobicContact CD1-CG1 4.43Å; K96-V123 WeakPolarHBondContact CD-O 3.46Å; K96-V123 WeakPolarHBondContact CE-O 3.3Å; K96-V123 PolarHBondContact NZ-O 3.48Å; F119-V123 WeakPolarHBondContact O-CG2 3.4Å; F119-V123 PolarHBondContact O-N 3.42Å
124F89.9Confident93.6Very high85 Ų8542.1 Ų42.137%0.37321%0.209SC..PPolyproline II helixtrans-101136.7161-72.4-89.9000108.7R93 K96 S122R93-F124 HydrophobicContact CB-CE1 4.42Å; R93-F124 HydrophobicContact CG-CE1 4.1Å; R93-F124 HydrophobicContact CG-CZ 4.21Å; K96-F124 HydrophobicContact CB-CD2 4.26Å; K96-F124 HydrophobicContact CB-CE1 4.18Å; K96-F124 HydrophobicContact CB-CE2 3.45Å; K96-F124 VanDerWaalsContact CB-CE2 3.45Å; K96-F124 HydrophobicContact CB-CZ 3.41Å; K96-F124 VanDerWaalsContact CB-CZ 3.41Å; K96-F124 HydrophobicContact CD-CD1 3.83Å; K96-F124 HydrophobicContact CD-CD2 4.18Å; K96-F124 HydrophobicContact CD-CE1 3.65Å; K96-F124 HydrophobicContact CD-CE2 4.03Å; K96-F124 HydrophobicContact CD-CG 4.1Å; K96-F124 HydrophobicContact CD-CZ 3.77Å; K96-F124 HydrophobicContact CG-CE2 4.36Å; K96-F124 HydrophobicContact CG-CZ 4.22Å; S122-F124 VanDerWaalsContact O-CD2 3.31Å; S122-F124 WeakPolarHBondContact O-CD2 3.45Å; S122-F124 PolarHBondContact O-N 3.24Å
125V91.8Very high93.6Very high27 Ų2747.1 Ų47.116%0.16423%0.225CC..PPolyproline II helixtrans-87.1129.5164.2178.70000106.2Y32 I35 H36Y32-V125 HydrophobicContact CD1-CB 4.26Å; Y32-V125 HydrophobicContact CD1-CG1 3.95Å; Y32-V125 HydrophobicContact CE1-CB 4.01Å; Y32-V125 HydrophobicContact CE1-CG1 3.56Å; I35-V125 HydrophobicContact CB-CG1 4.31Å; I35-V125 HydrophobicContact CB-CG2 4.41Å; I35-V125 HydrophobicContact CD1-CG1 4.48Å; I35-V125 HydrophobicContact CG2-CB 4.39Å; I35-V125 HydrophobicContact CG2-CG1 3.68Å; I35-V125 HydrophobicContact CG2-CG2 3.83Å; H36-V125 HydrophobicContact CB-CG2 4.24Å
126T91Very high93.8Very high59 Ų5948.1 Ų48.136%0.36223%0.233SC..  trans-105159.4178.867.30000111E128 M129 A130T126-E128 PolarHBondContact O-N 3.16Å; T126-M129 HydrophobicContact CG2-SD 4.47Å; T126-M129 PolarHBondContact O-N 3.2Å; T126-M129 VanDerWaalsContact O-N 3.12Å; T126-M129 WeakPolarHBondContact OG1-CG 3.49Å; T126-M129 PolarHBondContact OG1-N 2.75Å; T126-A130 PolarHBondContact O-N 2.73Å
127S90.7Very high94Very high72 Ų7245.7 Ų45.750%0.50322%0.221SC..Hα-helixtrans-56.1-32.8172.2-39.90000112.1Y131S127-Y131 WeakPolarHBondContact O-CB 3.4Å; S127-Y131 PolarHBondContact O-N 3.36Å
128E91.4Very high94.1Very high143 Ų14342.3 Ų42.367%0.66820%0.204SC*.Hα-helixtrans-64.1-49.4174.1-176.1177.8-150.300111.8T126 A130 Y131 E132T126-E128 PolarHBondContact O-N 3.16Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 2.93Å; E128-Y131 PolarHBondContact O-N 3.14Å; E128-Y131 VanDerWaalsContact O-N 3.17Å; E128-E132 PolarHBondContact O-N 2.64Å
129M94.6Very high94.1Very high10 Ų1048.6 Ų48.65%0.04924%0.238CC..Hα-helixtrans-60.5-41.1175.8-65.8169.368.900112I35 S39 L46 Y55 T126 V133I35-M129 HydrophobicContact CG2-CE 3.98Å; S39-M129 VanDerWaalsContact OG-CE 3.32Å; S39-M129 WeakPolarHBondContact OG-CE 3.39Å; L46-M129 HydrophobicContact CD1-CE 3.8Å; L46-M129 HydrophobicContact CD2-CE 3.9Å; L46-M129 HydrophobicContact CD2-SD 4.1Å; Y55-M129 HydrophobicContact CD1-CE 3.89Å; Y55-M129 HydrophobicContact CD2-CB 4.29Å; Y55-M129 HydrophobicContact CD2-CE 4.31Å; Y55-M129 HydrophobicContact CE1-CE 3.97Å; Y55-M129 HydrophobicContact CE1-CG 4.31Å; Y55-M129 HydrophobicContact CE2-CB 3.67Å; Y55-M129 HydrophobicContact CE2-CE 4.36Å; Y55-M129 HydrophobicContact CE2-CG 3.97Å; Y55-M129 HydrophobicContact CG-CE 4.09Å; T126-M129 HydrophobicContact CG2-SD 4.47Å; T126-M129 PolarHBondContact O-N 3.2Å; T126-M129 VanDerWaalsContact O-N 3.12Å; T126-M129 WeakPolarHBondContact OG1-CG 3.49Å; T126-M129 PolarHBondContact OG1-N 2.75Å; M129-V133 WeakPolarHBondContact O-CG2 3.47Å; M129-V133 PolarHBondContact O-N 2.77Å
130A95.6Very high94.2Very high7 Ų750.5 Ų50.56%0.05825%0.247CC..Hα-helixtrans-64.3-42.5175.300000111.6Y32 I35 F77 T126 E128 V133 L134Y32-A130 HydrophobicContact CE2-CB 4.16Å; I35-A130 HydrophobicContact CD1-CB 4.41Å; F77-A130 HydrophobicContact CD1-CB 4.06Å; F77-A130 WeakPolarHBondContact CE1-O 3.48Å; T126-A130 PolarHBondContact O-N 2.73Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 2.93Å; A130-V133 PolarHBondContact O-N 3.02Å; A130-L134 WeakPolarHBondContact O-CB 3.32Å; A130-L134 PolarHBondContact O-N 3.37Å
131Y95.1Very high94.2Very high24 Ų2451 Ų519%0.09427%0.268CS..Hα-helixtrans-68.4-36.5178.6175.5-104.8000113S127 E128 V133 L134 R135 I389 D390S127-Y131 WeakPolarHBondContact O-CB 3.4Å; S127-Y131 PolarHBondContact O-N 3.36Å; E128-Y131 PolarHBondContact O-N 3.14Å; E128-Y131 VanDerWaalsContact O-N 3.17Å; Y131-V133 VanDerWaalsContact C-N 3.34Å; Y131-V133 PolarHBondContact O-N 3.33Å; Y131-L134 HydrophobicContact CD2-CD2 4.08Å; Y131-L134 HydrophobicContact CE2-CD2 4.18Å; Y131-L134 PolarHBondContact O-N 3.41Å; Y131-R135 VanDerWaalsContact CE1-NH2 3.32Å; Y131-R135 VanDerWaalsContact O-CB 3.3Å; Y131-R135 WeakPolarHBondContact O-CB 3.48Å; Y131-R135 PolarHBondContact O-N 3.25Å; Y131-R135 VanDerWaalsContact OH-CZ 3.3Å; Y131-R135 PolarHBondContact OH-NE 2.87Å; Y131-R135 PolarHBondContact OH-NH2 3.4Å; Y131-I389 HydrophobicContact CD1-CG2 3.81Å; Y131-I389 HydrophobicContact CD2-CG2 4.05Å; Y131-I389 HydrophobicContact CE1-CG2 3.58Å; Y131-I389 HydrophobicContact CE2-CG2 3.87Å; Y131-I389 HydrophobicContact CG-CG2 4.06Å; Y131-D390 HydrophobicContact CE2-CB 4Å; Y131-D390 WeakPolarHBondContact CE2-OD2 3.4Å; Y131-D390 VanDerWaalsContact OH-CG 3.24Å; Y131-D390 PolarHBondContact OH-OD2 3.32Å
132E95.9Very high94.4Very high77 Ų7745.3 Ų45.336%0.3625%0.247SC..Hα-helixtrans-59.6-43.6170.9-73.6-158.5153.200112Y55 V56 E128 R135 A136Y55-E132 PolarHBondContact OH-OE2 3.04Å; V56-E132 HydrophobicContact CG2-CB 4Å; E128-E132 PolarHBondContact O-N 2.64Å; E132-R135 PolarHBondContact O-N 2.93Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 2.85Å
133V97.8Very high94.6Very high2 Ų245.6 Ų45.61%0.01225%0.248CC..Hα-helixtrans-64.9-43.9176.71740000111.3V31 I35 Y55 V56 V59 F77 M129 A130 Y131 A136 A137V31-V133 HydrophobicContact CG1-CG1 3.77Å; I35-V133 HydrophobicContact CD1-CB 4.26Å; I35-V133 HydrophobicContact CD1-CG2 3.94Å; I35-V133 HydrophobicContact CG1-CG2 4.1Å; Y55-V133 HydrophobicContact CD2-CG2 3.87Å; Y55-V133 HydrophobicContact CE2-CG2 4.33Å; V56-V133 HydrophobicContact CB-CG2 4.46Å; V56-V133 HydrophobicContact CG2-CG2 3.99Å; V59-V133 HydrophobicContact CB-CG1 3.95Å; V59-V133 HydrophobicContact CG1-CG1 3.67Å; V59-V133 HydrophobicContact CG2-CG1 4.01Å; F77-V133 HydrophobicContact CE1-CB 4.19Å; F77-V133 HydrophobicContact CE1-CG1 4.01Å; F77-V133 HydrophobicContact CZ-CG1 4.12Å; M129-V133 WeakPolarHBondContact O-CG2 3.47Å; M129-V133 PolarHBondContact O-N 2.77Å; A130-V133 PolarHBondContact O-N 3.02Å; Y131-V133 VanDerWaalsContact C-N 3.34Å; Y131-V133 PolarHBondContact O-N 3.33Å; V133-A136 PolarHBondContact O-N 3.04Å; V133-A137 WeakPolarHBondContact O-CB 3.32Å; V133-A137 PolarHBondContact O-N 2.93Å
134L97.3Very high95Very high4 Ų445.2 Ų45.22%0.02125%0.246CC..Hα-helixtrans-60.6-46175.8175.8154.6000111.6F77 A130 Y131 A137 R138 C144 V146F77-L134 HydrophobicContact CD2-CD1 4.19Å; F77-L134 HydrophobicContact CE1-CB 4.05Å; F77-L134 HydrophobicContact CE2-CB 3.97Å; F77-L134 HydrophobicContact CE2-CD1 4.15Å; F77-L134 HydrophobicContact CE2-CG 4.27Å; F77-L134 HydrophobicContact CZ-CB 3.62Å; F77-L134 HydrophobicContact CZ-CG 4.42Å; A130-L134 WeakPolarHBondContact O-CB 3.32Å; A130-L134 PolarHBondContact O-N 3.37Å; Y131-L134 HydrophobicContact CD2-CD2 4.08Å; Y131-L134 HydrophobicContact CE2-CD2 4.18Å; Y131-L134 PolarHBondContact O-N 3.41Å; L134-A137 PolarHBondContact O-N 2.76Å; L134-R138 WeakPolarHBondContact O-CB 3.29Å; L134-R138 WeakPolarHBondContact O-CG 3.24Å; L134-R138 PolarHBondContact O-N 3.39Å; L134-C144 HydrophobicContact CD1-CB 4.4Å; L134-C144 HydrophobicContact CG-CB 4.1Å; L134-V146 HydrophobicContact CD1-CG2 3.82Å
135R96.4Very high95.3Very high123 Ų12341.2 Ų41.246%0.46423%0.228SC..Hα-helixtrans-61.7-45176.1-177.5-173.1-80.9-178.9-11.5111.2Y131 E132 R138 N139Y131-R135 VanDerWaalsContact CE1-NH2 3.32Å; Y131-R135 VanDerWaalsContact O-CB 3.3Å; Y131-R135 WeakPolarHBondContact O-CB 3.48Å; Y131-R135 PolarHBondContact O-N 3.25Å; Y131-R135 VanDerWaalsContact OH-CZ 3.3Å; Y131-R135 PolarHBondContact OH-NE 2.87Å; Y131-R135 PolarHBondContact OH-NH2 3.4Å; E132-R135 PolarHBondContact O-N 2.93Å; R135-R138 PolarHBondContact O-N 2.86Å; R135-N139 VanDerWaalsContact O-CG 3.26Å; R135-N139 PolarHBondContact O-N 2.88Å
136A97.4Very high95.6Very high20 Ų2040.4 Ų40.417%0.16522%0.223CC..Hα-helixtrans-63.3-42.7177.100000112.5V56 I60 E132 V133 N139 M140V56-A136 HydrophobicContact CG1-CB 3.47Å; V56-A136 VanDerWaalsContact CG1-CB 3.47Å; I60-A136 HydrophobicContact CD1-CB 4.3Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 2.85Å; V133-A136 PolarHBondContact O-N 3.04Å; A136-N139 PolarHBondContact O-N 2.84Å; A136-M140 WeakPolarHBondContact O-CG 3.48Å; A136-M140 PolarHBondContact O-N 3.09Å
137A97.6Very high96Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-65.5-40.4176.800000112.4I63 L75 V133 L134 N139 M140 G141 V142I63-A137 HydrophobicContact CD1-CB 3.88Å; L75-A137 HydrophobicContact CD1-CB 3.46Å; L75-A137 VanDerWaalsContact CD1-CB 3.46Å; V133-A137 WeakPolarHBondContact O-CB 3.32Å; V133-A137 PolarHBondContact O-N 2.93Å; L134-A137 PolarHBondContact O-N 2.76Å; A137-N139 PolarHBondContact O-N 3.34Å; A137-M140 CarbonylContact O-C 3.58Å; A137-M140 WeakPolarHBondContact O-CA 3.42Å; A137-M140 WeakPolarHBondContact O-CB 3.47Å; A137-M140 PolarHBondContact O-N 3.04Å; A137-G141 PolarHBondContact O-N 3.13Å; A137-V142 HydrophobicContact CB-CB 4.2Å; A137-V142 WeakPolarHBondContact O-CB 3.5Å; A137-V142 PolarHBondContact O-N 3.36Å
138R95.1Very high96.3Very high27 Ų2734.3 Ų34.310%0.10218%0.183CC..Hα-helixtrans-60.6-42.4172.7-78.9-176.7172.5163.14.8112.7L134 R135 M140 G141 L378 Y392L134-R138 WeakPolarHBondContact O-CB 3.29Å; L134-R138 WeakPolarHBondContact O-CG 3.24Å; L134-R138 PolarHBondContact O-N 3.39Å; R135-R138 PolarHBondContact O-N 2.86Å; R138-M140 PolarHBondContact O-N 3.45Å; R138-G141 WeakPolarHBondContact O-CA 3.08Å; R138-G141 PolarHBondContact O-N 2.79Å; R138-L378 PolarHBondContact NH1-O 2.89Å; R138-L378 PolarHBondContact NH2-O 3.43Å; R138-Y392 HydrophobicContact CG-CE2 4.42Å; R138-Y392 VanDerWaalsContact NH1-CD1 3.31Å
139N94.8Very high96.6Very high138 Ų13828.9 Ų28.974%0.73816%0.157SC*.Hα-helixtrans-63.8-20.5174.6-68.4-11.6000112.8R135 A136 A137R135-N139 VanDerWaalsContact O-CG 3.26Å; R135-N139 PolarHBondContact O-N 2.88Å; A136-N139 PolarHBondContact O-N 2.84Å; A137-N139 PolarHBondContact O-N 3.34Å
140M95.7Very high96.7Very high46 Ų4629.1 Ų29.123%0.22716%0.158CC..THydrogen-bonded Turntrans-89.85.6170.3-62.7174.273.400113.4I60 I63 N64 K67 A136 A137 R138 V142I60-M140 HydrophobicContact CB-SD 4.4Å; I60-M140 HydrophobicContact CD1-SD 4.5Å; I60-M140 HydrophobicContact CG1-SD 3.87Å; I60-M140 HydrophobicContact CG2-CE 4.09Å; I60-M140 HydrophobicContact CG2-SD 4.05Å; I63-M140 HydrophobicContact CB-CE 4.1Å; I63-M140 HydrophobicContact CD1-SD 4.2Å; I63-M140 HydrophobicContact CG2-CE 3.52Å; I63-M140 HydrophobicContact CG2-SD 4.15Å; N64-M140 WeakPolarHBondContact OD1-CE 3.22Å; K67-M140 PolarHBondContact NZ-O 3.16Å; A136-M140 WeakPolarHBondContact O-CG 3.48Å; A136-M140 PolarHBondContact O-N 3.09Å; A137-M140 CarbonylContact O-C 3.58Å; A137-M140 WeakPolarHBondContact O-CA 3.42Å; A137-M140 WeakPolarHBondContact O-CB 3.47Å; A137-M140 PolarHBondContact O-N 3.04Å; R138-M140 PolarHBondContact O-N 3.45Å; M140-V142 HydrophobicContact CB-CG2 4.27Å
141G94.1Very high96.8Very high68 Ų6828.9 Ų28.970%0.70116%0.155SC*.THydrogen-bonded Turntrans68.633-176.900000114.1A137 R138A137-G141 PolarHBondContact O-N 3.13Å; R138-G141 WeakPolarHBondContact O-CA 3.08Å; R138-G141 PolarHBondContact O-N 2.79Å
142V96.8Very high96.9Very high6 Ų628.4 Ų28.44%0.03616%0.155CC..  trans-99.2131.6177.4177.80000110.8I63 P73 L75 A137 M140 C144I63-V142 HydrophobicContact CG2-CG2 3.7Å; P73-V142 HydrophobicContact CB-CG1 4.11Å; P73-V142 HydrophobicContact CG-CG1 3.79Å; P73-V142 HydrophobicContact CG-CG2 4.07Å; L75-V142 HydrophobicContact CD1-CG1 4.22Å; L75-V142 HydrophobicContact CG-CG1 3.8Å; A137-V142 HydrophobicContact CB-CB 4.2Å; A137-V142 WeakPolarHBondContact O-CB 3.5Å; A137-V142 PolarHBondContact O-N 3.36Å; M140-V142 HydrophobicContact CB-CG2 4.27Å; V142-C144 PolarHBondContact O-N 3.09Å; V142-C144 PolarHBondContact O-SG 2.83Å; V142-C144 VanDerWaalsContact O-SG 3.36Å
143D97.2Very high97Very high11 Ų1124.8 Ų24.86%0.05914%0.138CC..EExtended strand (participates in β ladder)trans-64.7126.3173.6-76.1-36.1000110.4K72 I74 L75 S433 I434K72-D143 WeakPolarHBondContact CE-OD2 3.42Å; K72-D143 IonicContact NZ-OD2 2.73Å; K72-D143 PolarHBondContact NZ-OD2 3.42Å; I74-D143 WeakPolarHBondContact CA-O 3.36Å; L75-D143 PolarHBondContact N-O 3.48Å; D143-S433 WeakPolarHBondContact OD1-CB 3.43Å; D143-S433 PolarHBondContact OD1-OG 2.57Å; D143-S433 WeakPolarHBondContact OD2-CA 3.33Å; D143-I434 HydrophobicContact CB-CD1 3.8Å; D143-I434 HydrophobicContact CB-CG1 3.93Å; D143-I434 PolarHBondContact OD2-N 2.8Å
144C98.1Very high97.1Very high1 Ų124.7 Ų24.71%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-127.4136-179.7-59.90000110.3L75 F77 L134 V142 W435L75-C144 CarbonylContact O-C 3.5Å; L75-C144 WeakPolarHBondContact O-CA 3.31Å; F77-C144 HydrophobicContact CE2-CB 4.05Å; L134-C144 HydrophobicContact CD1-CB 4.4Å; L134-C144 HydrophobicContact CG-CB 4.1Å; V142-C144 PolarHBondContact O-N 3.09Å; V142-C144 PolarHBondContact O-SG 2.83Å; V142-C144 VanDerWaalsContact O-SG 3.36Å; C144-W435 WeakPolarHBondContact O-CZ2 3.38Å
145V97.9Very high97.1Very high0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-130.7132.9179.8-170.90000109.2I74 L75 V76 F77 Q154 I323 I434 W435I74-V145 HydrophobicContact CG2-CG2 4.24Å; L75-V145 PolarHBondContact O-N 3.17Å; V76-V145 WeakPolarHBondContact CA-O 3.34Å; F77-V145 PolarHBondContact N-O 3.03Å; V145-Q154 HydrophobicContact CG1-CG 4.44Å; V145-I323 HydrophobicContact CG2-CD1 3.94Å; V145-I434 HydrophobicContact CG2-CD1 3.66Å; V145-W435 HydrophobicContact CB-CZ2 4.32Å; V145-W435 HydrophobicContact CG1-CH2 4.25Å; V145-W435 HydrophobicContact CG1-CZ2 4.34Å; V145-W435 HydrophobicContact CG2-CH2 4.36Å; V145-W435 HydrophobicContact CG2-CZ2 3.8Å
146V97.9Very high97.2Very high11 Ų1118.6 Ų18.67%0.06711%0.114CC..EExtended strand (participates in β ladder)trans-97.3126167.1-165.50000108.7F77 D78 L134 A377 Y383F77-V146 HydrophobicContact CB-CG1 4.28Å; F77-V146 HydrophobicContact CB-CG2 4.41Å; D78-V146 WeakPolarHBondContact O-CG1 3.46Å; L134-V146 HydrophobicContact CD1-CG2 3.82Å; V146-A377 PolarHBondContact N-O 2.77Å; V146-A377 WeakPolarHBondContact O-CA 3.48Å; V146-Y383 HydrophobicContact CB-CE2 4.06Å; V146-Y383 HydrophobicContact CG1-CD2 4.12Å; V146-Y383 HydrophobicContact CG1-CE2 3.48Å; V146-Y383 VanDerWaalsContact CG1-CE2 3.48Å
147A98Very high97.2Very high0 Ų018.7 Ų18.70%011%0.11CC..  trans-67.2154175.400000111F77 G79 Y149 E150 Q154 Y383F77-A147 PolarHBondContact O-N 3.4Å; G79-A147 WeakPolarHBondContact CA-O 3.5Å; G79-A147 PolarHBondContact N-O 3.3Å; A147-Y149 VanDerWaalsContact C-N 3.29Å; A147-Y149 PolarHBondContact O-N 2.89Å; A147-E150 VanDerWaalsContact CB-O 3.3Å; A147-E150 WeakPolarHBondContact CB-O 3.27Å; A147-Q154 HydrophobicContact CB-CB 3.72Å; A147-Q154 HydrophobicContact CB-CG 4.16Å; A147-Y383 VanDerWaalsContact O-CZ 3.32Å; A147-Y383 PolarHBondContact O-OH 3.14Å
148P97.4Very high97.2Very high2 Ų218.7 Ų18.71%0.01311%0.11CC..SBendtrans-61.7-38.6172.7-25.237000112.9S80 V319 F321 Q328 Y383S80-P148 PolarHBondContact N-O 2.91Å; S80-P148 VanDerWaalsContact N-O 3.12Å; P148-V319 HydrophobicContact CB-CG1 4.18Å; P148-V319 HydrophobicContact CG-CG1 4.31Å; P148-F321 HydrophobicContact CG-CB 4.03Å; P148-Q328 HydrophobicContact CB-CG 4.33Å; P148-Q328 HydrophobicContact CG-CG 3.88Å; P148-Y383 WeakPolarHBondContact CA-OH 3.48Å; P148-Y383 WeakPolarHBondContact O-CE1 3.37Å
149Y97.3Very high97.2Very high30 Ų3017.4 Ų17.412%0.11811%0.105CC..SBendtrans-128.7-107.9175.8-61.4-88000108.3G79 S80 L82 A147 V319 G364 R365G79-Y149 PolarHBondContact N-O 3.42Å; S80-Y149 WeakPolarHBondContact O-CA 3.33Å; S80-Y149 WeakPolarHBondContact O-CD1 3.39Å; L82-Y149 HydrophobicContact CD1-CD1 3.82Å; L82-Y149 HydrophobicContact CD1-CD2 4.44Å; L82-Y149 HydrophobicContact CD1-CG 3.77Å; A147-Y149 VanDerWaalsContact C-N 3.29Å; A147-Y149 PolarHBondContact O-N 2.89Å; Y149-V319 HydrophobicContact CD2-CB 3.95Å; Y149-V319 HydrophobicContact CE2-CB 3.83Å; Y149-V319 HydrophobicContact CE2-CG1 4.44Å; Y149-V319 HydrophobicContact CE2-CG2 4.18Å; Y149-G364 VanDerWaalsContact CZ-CA 3.42Å; Y149-R365 PolarHBondContact OH-N 2.8Å; Y149-R365 PolarHBondContact OH-O 2.85Å
150E97Very high97.2Very high15 Ų1514.4 Ų14.47%0.078%0.083CC..  trans-84.8146.4-178.5-60.2171.210600112.8L82 K85 A147 D152 Y228 Q318L82-E150 WeakPolarHBondContact CD2-OE2 3.49Å; K85-E150 WeakPolarHBondContact CD-OE1 3.33Å; K85-E150 WeakPolarHBondContact CE-OE1 3.45Å; K85-E150 IonicContact NZ-OE1 3.68Å; K85-E150 PolarHBondContact NZ-OE1 3.16Å; A147-E150 VanDerWaalsContact CB-O 3.3Å; A147-E150 WeakPolarHBondContact CB-O 3.27Å; E150-D152 HydrophobicContact CB-CB 4.49Å; E150-D152 PolarHBondContact O-N 3.12Å; E150-Y228 VanDerWaalsContact OE2-CE1 3.28Å; E150-Y228 WeakPolarHBondContact OE2-CE1 3.24Å; E150-Y228 PolarHBondContact OE2-OH 3.26Å; E150-Q318 PolarHBondContact OE2-NE2 2.94Å
151A97.9Very high97.1Very high1 Ų113.7 Ų13.71%0.0088%0.082CC..Hα-helixtrans-58.2-33.3171.800000112V76 D78 A153 Q154 L155V76-A151 HydrophobicContact CB-CB 4.43Å; V76-A151 HydrophobicContact CG1-CB 3.78Å; D78-A151 WeakPolarHBondContact OD1-CB 3.31Å; D78-A151 PolarHBondContact OD1-N 3.26Å; A151-A153 PolarHBondContact O-N 3.02Å; A151-Q154 CarbonylContact O-C 3.55Å; A151-Q154 WeakPolarHBondContact O-CB 3.48Å; A151-Q154 PolarHBondContact O-N 2.95Å; A151-Q154 VanDerWaalsContact O-N 3.07Å; A151-L155 HydrophobicContact CB-CD1 4.09Å; A151-L155 WeakPolarHBondContact O-CB 3.29Å; A151-L155 VanDerWaalsContact O-CG 3.23Å; A151-L155 WeakPolarHBondContact O-CG 3.27Å; A151-L155 PolarHBondContact O-N 3.21Å
152D97.7Very high97.1Very high15 Ų1510.4 Ų10.48%0.085%0.048CC..Hα-helixtrans-50.3-57.1-176.5-70.228.9000113.4E150 Q154 L155 A156 L174 F177E150-D152 HydrophobicContact CB-CB 4.49Å; E150-D152 PolarHBondContact O-N 3.12Å; D152-Q154 VanDerWaalsContact C-N 3.31Å; D152-Q154 PolarHBondContact O-N 3.11Å; D152-L155 PolarHBondContact O-N 2.83Å; D152-A156 WeakPolarHBondContact O-CB 3.49Å; D152-A156 PolarHBondContact O-N 3.42Å; D152-L174 HydrophobicContact CB-CD1 4.25Å; D152-L174 HydrophobicContact CB-CD2 3.97Å; D152-L174 VanDerWaalsContact CG-CD2 3.44Å; D152-L174 VanDerWaalsContact O-CD1 3.25Å; D152-L174 WeakPolarHBondContact O-CD1 3.43Å; D152-L174 WeakPolarHBondContact OD2-CD2 3.43Å; D152-F177 HydrophobicContact CB-CD2 4.01Å; D152-F177 HydrophobicContact CB-CE2 3.51Å; D152-F177 HydrophobicContact CB-CZ 4.13Å
153A97.9Very high97Very high0 Ų010.5 Ų10.50%05%0.048CC..Hα-helixtrans-65.2-35178.600000112.3A151 A156 Y157 F177 Q318 I320A151-A153 PolarHBondContact O-N 3.02Å; A153-A156 PolarHBondContact O-N 2.93Å; A153-Y157 WeakPolarHBondContact O-CB 3.09Å; A153-Y157 PolarHBondContact O-N 3.4Å; A153-F177 HydrophobicContact CB-CD1 4.11Å; A153-F177 HydrophobicContact CB-CE1 3.66Å; A153-F177 HydrophobicContact CB-CZ 4.17Å; A153-Q318 HydrophobicContact CB-CB 4.01Å; A153-Q318 HydrophobicContact CB-CG 4.02Å; A153-I320 HydrophobicContact CB-CG2 3.56Å
154Q98.6Very high96.9Very high0 Ų010 Ų100%05%0.045CC..Hα-helixtrans-68.7-42.1178.1-172.165.846.900111.9V76 V145 A147 A151 D152 Y157 L158 F321V76-Q154 HydrophobicContact CG1-CB 3.96Å; V76-Q154 HydrophobicContact CG1-CG 3.84Å; V145-Q154 HydrophobicContact CG1-CG 4.44Å; A147-Q154 HydrophobicContact CB-CB 3.72Å; A147-Q154 HydrophobicContact CB-CG 4.16Å; A151-Q154 CarbonylContact O-C 3.55Å; A151-Q154 WeakPolarHBondContact O-CB 3.48Å; A151-Q154 PolarHBondContact O-N 2.95Å; A151-Q154 VanDerWaalsContact O-N 3.07Å; D152-Q154 VanDerWaalsContact C-N 3.31Å; D152-Q154 PolarHBondContact O-N 3.11Å; Q154-Y157 WeakPolarHBondContact O-CB 3.44Å; Q154-Y157 PolarHBondContact O-N 3.15Å; Q154-L158 VanDerWaalsContact O-CG 3.29Å; Q154-L158 WeakPolarHBondContact O-CG 3.46Å; Q154-L158 PolarHBondContact O-N 3.23Å; Q154-F321 PolarHBondContact NE2-O 3.47Å; Q154-F321 PolarHBondContact OE1-O 3.29Å
155L98.5Very high96.7Very high0 Ų010 Ų100%05%0.045CC..Hα-helixtrans-63.7-43.9174.2-72.4167.2000110.9A28 D30 V76 A151 D152 Y157 L158 N159 V167 L174A28-L155 HydrophobicContact CB-CD2 3.62Å; D30-L155 HydrophobicContact CB-CD1 3.77Å; V76-L155 HydrophobicContact CB-CD2 3.75Å; V76-L155 HydrophobicContact CB-CG 4.04Å; V76-L155 HydrophobicContact CG1-CD2 4.46Å; V76-L155 HydrophobicContact CG1-CG 4.26Å; V76-L155 HydrophobicContact CG2-CD2 3.49Å; V76-L155 VanDerWaalsContact CG2-CD2 3.49Å; V76-L155 HydrophobicContact CG2-CG 4.13Å; A151-L155 HydrophobicContact CB-CD1 4.09Å; A151-L155 WeakPolarHBondContact O-CB 3.29Å; A151-L155 VanDerWaalsContact O-CG 3.23Å; A151-L155 WeakPolarHBondContact O-CG 3.27Å; A151-L155 PolarHBondContact O-N 3.21Å; D152-L155 PolarHBondContact O-N 2.83Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 3.46Å; L155-L158 PolarHBondContact O-N 3.26Å; L155-N159 WeakPolarHBondContact O-CB 3.18Å; L155-N159 PolarHBondContact O-N 2.95Å; L155-V167 HydrophobicContact CB-CG1 4.13Å; L155-V167 HydrophobicContact CB-CG2 4.23Å; L155-V167 HydrophobicContact CD1-CG1 4.14Å; L155-V167 HydrophobicContact CD2-CG1 4.19Å; L155-V167 HydrophobicContact CG-CG1 4.4Å; L155-L174 HydrophobicContact CB-CD1 3.73Å; L155-L174 HydrophobicContact CD1-CD1 4.2Å
156A97.4Very high96.6Very high0 Ų010 Ų100%05%0.045CC..Hα-helixtrans-63.6-36.7173.800000112.6D152 A153 R160 F177 C179 F331D152-A156 WeakPolarHBondContact O-CB 3.49Å; D152-A156 PolarHBondContact O-N 3.42Å; A153-A156 PolarHBondContact O-N 2.93Å; A156-R160 VanDerWaalsContact O-CB 3.28Å; A156-R160 WeakPolarHBondContact O-CB 3.29Å; A156-R160 VanDerWaalsContact O-CG 3.24Å; A156-R160 WeakPolarHBondContact O-CG 3.35Å; A156-R160 PolarHBondContact O-N 2.78Å; A156-F177 HydrophobicContact CB-CB 3.43Å; A156-F177 VanDerWaalsContact CB-CB 3.43Å; A156-F177 HydrophobicContact CB-CG 4.21Å; A156-C179 WeakPolarHBondContact CA-SG 3.25Å; A156-F331 HydrophobicContact CB-CE2 3.91Å; A156-F331 HydrophobicContact CB-CZ 3.72Å
157Y97.8Very high96.6Very high21 Ų219.5 Ų9.58%0.0824%0.042CC..Hα-helixtrans-64.2-52.7174.1-179-104.4000111.4A153 Q154 L155 N159 R160 T161 I320 D322 K329 F331A153-Y157 WeakPolarHBondContact O-CB 3.09Å; A153-Y157 PolarHBondContact O-N 3.4Å; Q154-Y157 WeakPolarHBondContact O-CB 3.44Å; Q154-Y157 PolarHBondContact O-N 3.15Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 3.46Å; Y157-N159 PolarHBondContact O-N 3.27Å; Y157-R160 PolarHBondContact O-N 3.15Å; Y157-T161 HydrophobicContact CD2-CG2 3.91Å; Y157-T161 HydrophobicContact CE1-CG2 4.15Å; Y157-T161 HydrophobicContact CE2-CG2 3.49Å; Y157-T161 VanDerWaalsContact CE2-CG2 3.49Å; Y157-T161 HydrophobicContact CG-CG2 4.39Å; Y157-T161 WeakPolarHBondContact O-CB 3.2Å; Y157-T161 WeakPolarHBondContact O-CG2 3.3Å; Y157-T161 PolarHBondContact O-N 3.2Å; Y157-T161 PolarHBondContact O-OG1 3.34Å; Y157-I320 HydrophobicContact CD1-CD1 3.86Å; Y157-I320 HydrophobicContact CD2-CD1 3.64Å; Y157-I320 HydrophobicContact CD2-CG1 3.97Å; Y157-I320 HydrophobicContact CE1-CD1 3.98Å; Y157-I320 HydrophobicContact CE2-CD1 3.77Å; Y157-I320 HydrophobicContact CG-CD1 3.7Å; Y157-I320 HydrophobicContact CG-CG1 3.98Å; Y157-D322 HydrophobicContact CE1-CB 4.36Å; Y157-D322 PolarHBondContact OH-OD1 2.95Å; Y157-D322 PolarHBondContact OH-OD2 2.99Å; Y157-K329 WeakPolarHBondContact OH-CE 3.49Å; Y157-K329 PolarHBondContact OH-NZ 3.39Å; Y157-F331 HydrophobicContact CD2-CD2 4.45Å
158L97.7Very high96.6Very high0 Ų09.6 Ų9.60%04%0.042CC..Hα-helixtrans-59-36.4178.4-68.3174.1000112.1A28 I74 V76 Q154 L155 T161 G162 Y163 A164 I323A28-L158 HydrophobicContact CB-CD1 4.48Å; I74-L158 HydrophobicContact CG2-CD1 4.15Å; V76-L158 HydrophobicContact CG2-CD1 3.77Å; Q154-L158 VanDerWaalsContact O-CG 3.29Å; Q154-L158 WeakPolarHBondContact O-CG 3.46Å; Q154-L158 PolarHBondContact O-N 3.23Å; L155-L158 PolarHBondContact O-N 3.26Å; L158-T161 PolarHBondContact O-OG1 3.05Å; L158-G162 PolarHBondContact O-N 3.39Å; L158-Y163 HydrophobicContact CD2-CD2 3.84Å; L158-Y163 HydrophobicContact CD2-CG 3.83Å; L158-Y163 WeakPolarHBondContact O-CB 3.38Å; L158-Y163 PolarHBondContact O-N 3.04Å; L158-A164 PolarHBondContact O-N 3.45Å; L158-I323 HydrophobicContact CD2-CD1 3.67Å
159N95.7Very high96.6Very high0 Ų09.6 Ų9.60%04%0.042CC..Hα-helixtrans-69.3-64.7173.7-167.4-122.8000111.2L155 Y157 T161 G162 A164 D165 V167 R180 W445L155-N159 WeakPolarHBondContact O-CB 3.18Å; L155-N159 PolarHBondContact O-N 2.95Å; Y157-N159 PolarHBondContact O-N 3.27Å; N159-T161 PolarHBondContact O-N 3.12Å; N159-G162 PolarHBondContact O-N 2.91Å; N159-A164 WeakPolarHBondContact CA-O 3.39Å; N159-A164 PolarHBondContact ND2-O 3.25Å; N159-D165 VanDerWaalsContact ND2-C 3.3Å; N159-D165 PolarHBondContact ND2-O 3.49Å; N159-V167 HydrophobicContact CB-CG2 3.92Å; N159-R180 PolarHBondContact OD1-N 3.12Å; N159-W445 VanDerWaalsContact O-CH2 3.32Å; N159-W445 WeakPolarHBondContact O-CH2 3.46Å
160R93.7Very high96.5Very high75 Ų7510.1 Ų10.128%0.2835%0.046SC..Hα-helixtrans-57-27.5-173.5-70.7168.466.6128.17.9114.4A156 Y157 F177 G178 E214 K443A156-R160 VanDerWaalsContact O-CB 3.28Å; A156-R160 WeakPolarHBondContact O-CB 3.29Å; A156-R160 VanDerWaalsContact O-CG 3.24Å; A156-R160 WeakPolarHBondContact O-CG 3.35Å; A156-R160 PolarHBondContact O-N 2.78Å; Y157-R160 PolarHBondContact O-N 3.15Å; R160-F177 WeakPolarHBondContact CD-O 3.33Å; R160-F177 PolarHBondContact NH1-O 3.36Å; R160-G178 WeakPolarHBondContact CG-O 3.42Å; R160-E214 IonicContact CZ-OE1 2.69Å; R160-E214 IonicContact CZ-OE2 2.65Å; R160-E214 VanDerWaalsContact NH1-CD 3.26Å; R160-E214 IonicContact NH1-OE1 3.55Å; R160-E214 PolarHBondContact NH1-OE1 3.36Å; R160-E214 IonicContact NH1-OE2 3.7Å; R160-E214 PolarHBondContact NH1-OE2 3.01Å; R160-E214 VanDerWaalsContact NH1-OE2 3.16Å; R160-E214 IonicContact NH2-OE1 3.99Å; R160-E214 IonicContact NH2-OE2 2.97Å; R160-K443 VanDerWaalsContact O-CE 3.3Å; R160-K443 WeakPolarHBondContact O-CE 3.35Å
161T94.2Very high96.4Very high31 Ų319.9 Ų9.919%0.195%0.045CC..Hα-helixtrans-79.2-36.5175.450.90000113.4Y157 L158 N159 Y163 I441 K443Y157-T161 HydrophobicContact CD2-CG2 3.91Å; Y157-T161 HydrophobicContact CE1-CG2 4.15Å; Y157-T161 HydrophobicContact CE2-CG2 3.49Å; Y157-T161 VanDerWaalsContact CE2-CG2 3.49Å; Y157-T161 HydrophobicContact CG-CG2 4.39Å; Y157-T161 WeakPolarHBondContact O-CB 3.2Å; Y157-T161 WeakPolarHBondContact O-CG2 3.3Å; Y157-T161 PolarHBondContact O-N 3.2Å; Y157-T161 PolarHBondContact O-OG1 3.34Å; L158-T161 PolarHBondContact O-OG1 3.05Å; N159-T161 PolarHBondContact O-N 3.12Å; T161-Y163 WeakPolarHBondContact OG1-CD2 3.37Å; T161-I441 WeakPolarHBondContact O-CG2 3.14Å; T161-K443 WeakPolarHBondContact O-CE 2.99Å; T161-K443 WeakPolarHBondContact O-CG 3.19Å
162G93.3Very high96.2Very high0 Ų010 Ų100%05%0.046CC..THydrogen-bonded Turntrans108.323.1-175.500000115.1L158 N159 Q442L158-G162 PolarHBondContact O-N 3.39Å; N159-G162 PolarHBondContact O-N 2.91Å; G162-Q442 CarbonylContact C-O 3.59Å; G162-Q442 WeakPolarHBondContact CA-O 3.35Å; G162-Q442 PolarHBondContact O-N 2.88Å
163Y95.7Very high96Very high8 Ų89.5 Ų9.53%0.0314%0.043CC..SBendtrans-74.8-40.9165.6-80-81.8000111.2V26 L158 T161 I323 A324 R429 I434 Y439 I441V26-Y163 WeakPolarHBondContact CG1-O 3.36Å; L158-Y163 HydrophobicContact CD2-CD2 3.84Å; L158-Y163 HydrophobicContact CD2-CG 3.83Å; L158-Y163 WeakPolarHBondContact O-CB 3.38Å; L158-Y163 PolarHBondContact O-N 3.04Å; T161-Y163 WeakPolarHBondContact OG1-CD2 3.37Å; Y163-I323 HydrophobicContact CE1-CB 4.35Å; Y163-I323 HydrophobicContact CE1-CG2 4.31Å; Y163-A324 PolarHBondContact OH-N 3.3Å; Y163-R429 PolarHBondContact O-NH2 2.8Å; Y163-I434 HydrophobicContact CD1-CB 4.12Å; Y163-I434 HydrophobicContact CD1-CG2 4.17Å; Y163-I434 HydrophobicContact CE1-CB 4.33Å; Y163-Y439 AromaticContact CD1-CD1 3.6Å; Y163-Y439 HydrophobicContact CD1-CD1 3.6Å; Y163-Y439 AromaticContact CD1-CE1 3.7Å; Y163-Y439 HydrophobicContact CD1-CE1 3.7Å; Y163-Y439 HydrophobicContact CD1-CG 4.49Å; Y163-Y439 AromaticContact CE1-CD1 3.75Å; Y163-Y439 HydrophobicContact CE1-CD1 3.75Å; Y163-Y439 HydrophobicContact CE1-CE1 4.32Å; Y163-Y439 HydrophobicContact CE1-CG 4.43Å; Y163-Y439 PolarHBondContact O-OH 3.17Å; Y163-Y439 VanDerWaalsContact O-OH 3.14Å; Y163-I441 HydrophobicContact CE1-CD1 4.43Å; Y163-I441 HydrophobicContact CE1-CG1 4.29Å; Y163-I441 HydrophobicContact CE2-CD1 3.89Å; Y163-I441 HydrophobicContact CE2-CG1 4.35Å
164A95.7Very high95.9Very high0 Ų09.5 Ų9.50%04%0.043CC..  trans-125.5136.8178.600000111.6V26 A28 I74 L158 N159V26-A164 CarbonylContact O-C 3.53Å; A28-A164 HydrophobicContact CB-CB 3.53Å; I74-A164 HydrophobicContact CD1-CB 4.3Å; L158-A164 PolarHBondContact O-N 3.45Å; N159-A164 WeakPolarHBondContact CA-O 3.39Å; N159-A164 PolarHBondContact ND2-O 3.25Å
165D93.7Very high95.7Very high1 Ų19.9 Ų9.91%0.0055%0.045CC..SBendtrans-75.3-36.4-176.3-50.6-46.3000110.7Y25 V26 N159 Q181 R429Y25-D165 WeakPolarHBondContact CA-OD2 3.25Å; Y25-D165 HydrophobicContact CD1-CB 3.81Å; V26-D165 PolarHBondContact N-OD2 2.95Å; V26-D165 PolarHBondContact O-N 2.84Å; N159-D165 VanDerWaalsContact ND2-C 3.3Å; N159-D165 PolarHBondContact ND2-O 3.49Å; D165-Q181 PolarHBondContact O-NE2 3.39Å; D165-R429 IonicContact OD1-CZ 3.49Å; D165-R429 VanDerWaalsContact OD1-CZ 3.3Å; D165-R429 IonicContact OD1-NH1 2.86Å; D165-R429 PolarHBondContact OD1-NH1 3.29Å; D165-R429 IonicContact OD1-NH2 2.79Å; D165-R429 PolarHBondContact OD1-NH2 2.72Å; D165-R429 IonicContact OD2-CZ 3.53Å; D165-R429 IonicContact OD2-NH1 2.74Å; D165-R429 IonicContact OD2-NH2 2.78Å
166F95.2Very high95.5Very high0 Ų09.9 Ų9.90%05%0.045CC..EExtended strand (participates in β ladder)trans-142.2161.7174.765.5-82.7000112.7L19 F22 A27 A28 V71 I168 Q181 V183L19-F166 HydrophobicContact CD1-CE2 4.3Å; L19-F166 HydrophobicContact CD1-CZ 3.99Å; F22-F166 HydrophobicContact CB-CE1 3.95Å; F22-F166 HydrophobicContact CB-CZ 4.11Å; F22-F166 AromaticContact CD1-CD1 3.71Å; F22-F166 HydrophobicContact CD1-CD1 3.71Å; F22-F166 AromaticContact CD1-CE1 3.38Å; F22-F166 HydrophobicContact CD1-CE1 3.38Å; F22-F166 AromaticContact CD1-CZ 3.94Å; F22-F166 HydrophobicContact CD1-CZ 3.94Å; F22-F166 HydrophobicContact CE1-CD1 4.09Å; F22-F166 HydrophobicContact CE1-CE1 4.16Å; F22-F166 AromaticContact CG-CE1 3.9Å; F22-F166 HydrophobicContact CG-CE1 3.9Å; F22-F166 HydrophobicContact CG-CZ 4.08Å; A27-F166 WeakPolarHBondContact CA-O 3.43Å; A27-F166 HydrophobicContact CB-CD2 4.21Å; A27-F166 HydrophobicContact CB-CE1 4.03Å; A27-F166 HydrophobicContact CB-CE2 3.66Å; A27-F166 HydrophobicContact CB-CZ 3.57Å; A28-F166 PolarHBondContact N-O 3.46Å; V71-F166 HydrophobicContact CG1-CZ 4.18Å; F166-I168 HydrophobicContact CD2-CG1 4.05Å; F166-I168 HydrophobicContact CE2-CD1 3.92Å; F166-I168 HydrophobicContact CE2-CG1 3.75Å; F166-Q181 WeakPolarHBondContact CA-O 3.46Å; F166-Q181 HydrophobicContact CB-CB 3.63Å; F166-V183 HydrophobicContact CD2-CB 4.27Å; F166-V183 HydrophobicContact CD2-CG2 3.58Å; F166-V183 HydrophobicContact CE2-CG2 3.94Å; F166-V183 HydrophobicContact CG-CG2 4.42Å
167V97.7Very high95.4Very high0 Ų09.9 Ų9.90%05%0.045CC..EExtended strand (participates in β ladder)trans-104.8143.7174.8177.10000109.9A28 L155 N159 T169 L174 Q181 V182 V183A28-V167 CarbonylContact O-C 3.6Å; A28-V167 VanDerWaalsContact O-CA 3.27Å; A28-V167 WeakPolarHBondContact O-CA 3.1Å; L155-V167 HydrophobicContact CB-CG1 4.13Å; L155-V167 HydrophobicContact CB-CG2 4.23Å; L155-V167 HydrophobicContact CD1-CG1 4.14Å; L155-V167 HydrophobicContact CD2-CG1 4.19Å; L155-V167 HydrophobicContact CG-CG1 4.4Å; N159-V167 HydrophobicContact CB-CG2 3.92Å; V167-T169 HydrophobicContact CG1-CG2 4.19Å; V167-L174 HydrophobicContact CG1-CD1 4.41Å; V167-L174 HydrophobicContact CG1-CG 4.48Å; V167-Q181 PolarHBondContact N-O 2.84Å; V167-V182 HydrophobicContact CB-CG1 4.44Å; V167-V182 HydrophobicContact CB-CG2 4.46Å; V167-V182 CarbonylContact O-C 3.39Å; V167-V182 WeakPolarHBondContact O-CA 3.07Å; V167-V183 PolarHBondContact O-N 3.03Å
168I98.1Very high95.2Very high2 Ų29.1 Ų9.11%0.014%0.044CC..EExtended strand (participates in β ladder)trans-113.2122.4167.3-57.7162.4000108.4A27 A28 V29 D30 W34 M66 F166 V183 L186A27-I168 HydrophobicContact CB-CD1 3.89Å; A27-I168 HydrophobicContact CB-CG1 4.48Å; A28-I168 PolarHBondContact O-N 3.12Å; V29-I168 HydrophobicContact CG2-CB 4.48Å; V29-I168 HydrophobicContact CG2-CD1 4.19Å; D30-I168 PolarHBondContact N-O 3.46Å; W34-I168 HydrophobicContact CZ2-CG2 3.9Å; M66-I168 HydrophobicContact SD-CD1 3.83Å; F166-I168 HydrophobicContact CD2-CG1 4.05Å; F166-I168 HydrophobicContact CE2-CD1 3.92Å; F166-I168 HydrophobicContact CE2-CG1 3.75Å; I168-V183 WeakPolarHBondContact CA-O 3.38Å; I168-V183 HydrophobicContact CG1-CB 4.22Å; I168-L186 HydrophobicContact CD1-CD2 3.88Å; I168-L186 HydrophobicContact CG1-CD2 4.46Å; I168-L186 HydrophobicContact CG2-CB 4.17Å; I168-L186 HydrophobicContact CG2-CD2 3.97Å
169T97.8Very high95Very high2 Ų29.3 Ų9.31%0.0125%0.045CC..  trans-158.6169.3176.81780000110D30 V167 D171 L174 V182 V183 F184D30-T169 PolarHBondContact OD2-OG1 3.11Å; V167-T169 HydrophobicContact CG1-CG2 4.19Å; T169-D171 VanDerWaalsContact CG2-O 3.32Å; T169-D171 WeakPolarHBondContact CG2-O 3.4Å; T169-D171 PolarHBondContact OG1-N 3.02Å; T169-L174 HydrophobicContact CG2-CD2 4.09Å; T169-L174 HydrophobicContact CG2-CG 3.94Å; T169-V182 HydrophobicContact CG2-CG1 3.62Å; T169-V183 PolarHBondContact N-O 2.73Å; T169-F184 HydrophobicContact CG2-CE1 4.18Å; T169-F184 WeakPolarHBondContact O-CA 3.47Å; T169-F184 WeakPolarHBondContact O-CD1 3.5Å
170E95.2Very high94.7Very high41 Ų4112.2 Ų12.219%0.1926%0.056CC..SBendtrans-101.5-4.6162.1-56.4-75.3-170.100112.3M1 C33 R37 K185M1-E170 PolarHBondContact N-O 3.31Å; C33-E170 HydrophobicContact CB-CB 4.48Å; C33-E170 HydrophobicContact CB-CG 4.37Å; C33-E170 PolarHBondContact SG-N 3.09Å; R37-E170 IonicContact NH1-OE1 3Å; R37-E170 PolarHBondContact NH1-OE1 3.09Å; E170-K185 WeakPolarHBondContact OE1-CA 3.45Å; E170-K185 WeakPolarHBondContact OE2-CA 3.48Å; E170-K185 PolarHBondContact OE2-N 3.39Å
171D94.9Very high94.6Very high11 Ų118.7 Ų8.76%0.0594%0.043CC..  trans-89.4126.1179.9-152.5-47.4000113.4M1 G2 T169 D173 L174 F184M1-D171 VanDerWaalsContact C-OD2 3.24Å; M1-D171 WeakPolarHBondContact CA-OD2 3.41Å; M1-D171 HydrophobicContact CB-CB 4.1Å; M1-D171 WeakPolarHBondContact CB-OD2 2.86Å; G2-D171 WeakPolarHBondContact CA-OD1 3.18Å; G2-D171 VanDerWaalsContact N-CG 3.29Å; G2-D171 PolarHBondContact N-OD1 3.38Å; G2-D171 VanDerWaalsContact N-OD1 3.16Å; G2-D171 PolarHBondContact N-OD2 3.31Å; T169-D171 VanDerWaalsContact CG2-O 3.32Å; T169-D171 WeakPolarHBondContact CG2-O 3.4Å; T169-D171 PolarHBondContact OG1-N 3.02Å; D171-D173 VanDerWaalsContact C-N 3.33Å; D171-D173 WeakPolarHBondContact OD1-CB 3.36Å; D171-D173 PolarHBondContact OD1-N 3.1Å; D171-L174 HydrophobicContact CB-CD2 4.18Å; D171-F184 WeakPolarHBondContact O-CE1 3.39Å
172S94.4Very high94.7Very high3 Ų37.2 Ų7.22%0.0213%0.034CC..SBendtrans-79-14.5-178590000114I3 L174 L175I3-S172 PolarHBondContact N-OG 3.37Å; S172-L174 PolarHBondContact O-N 3.28Å; S172-L175 VanDerWaalsContact O-CB 3.32Å; S172-L175 WeakPolarHBondContact O-CB 3.39Å; S172-L175 WeakPolarHBondContact O-CG 3.28Å; S172-L175 PolarHBondContact O-N 2.78Å
173D93.6Very high94.8Very high4 Ų47.2 Ų7.22%0.0213%0.034CC..G310 helixtrans-73.5-19.7-171-71.322.8000111.6G2 I3 D171 L175 L176 F177 C226 F315G2-D173 WeakPolarHBondContact CA-OD1 3.2Å; I3-D173 VanDerWaalsContact CD1-OD1 3.31Å; I3-D173 WeakPolarHBondContact CD1-OD1 3.48Å; I3-D173 WeakPolarHBondContact CG1-OD1 3.49Å; I3-D173 PolarHBondContact N-OD1 3.09Å; D171-D173 VanDerWaalsContact C-N 3.33Å; D171-D173 WeakPolarHBondContact OD1-CB 3.36Å; D171-D173 PolarHBondContact OD1-N 3.1Å; D173-L175 PolarHBondContact O-N 3.18Å; D173-L175 VanDerWaalsContact O-N 3.09Å; D173-L176 WeakPolarHBondContact O-CB 3.41Å; D173-L176 PolarHBondContact O-N 3.43Å; D173-F177 WeakPolarHBondContact O-CD2 3.49Å; D173-F177 PolarHBondContact O-N 3.37Å; D173-C226 WeakPolarHBondContact OD2-CB 3.37Å; D173-F315 HydrophobicContact CB-CE1 4.15Å; D173-F315 HydrophobicContact CB-CZ 4.28Å
174L95Very high94.9Very high0 Ų06.9 Ų6.90%03%0.032CC..G310 helixtrans-46.9-34.1162.4-80.9-64.7000113.5D152 L155 V167 T169 D171 S172 L176 F177 G178 C179 V182D152-L174 HydrophobicContact CB-CD1 4.25Å; D152-L174 HydrophobicContact CB-CD2 3.97Å; D152-L174 VanDerWaalsContact CG-CD2 3.44Å; D152-L174 VanDerWaalsContact O-CD1 3.25Å; D152-L174 WeakPolarHBondContact O-CD1 3.43Å; D152-L174 WeakPolarHBondContact OD2-CD2 3.43Å; L155-L174 HydrophobicContact CB-CD1 3.73Å; L155-L174 HydrophobicContact CD1-CD1 4.2Å; V167-L174 HydrophobicContact CG1-CD1 4.41Å; V167-L174 HydrophobicContact CG1-CG 4.48Å; T169-L174 HydrophobicContact CG2-CD2 4.09Å; T169-L174 HydrophobicContact CG2-CG 3.94Å; D171-L174 HydrophobicContact CB-CD2 4.18Å; S172-L174 PolarHBondContact O-N 3.28Å; L174-L176 VanDerWaalsContact C-N 3.27Å; L174-L176 PolarHBondContact O-N 3.37Å; L174-F177 PolarHBondContact O-N 3.04Å; L174-G178 PolarHBondContact O-N 3.21Å; L174-C179 HydrophobicContact CB-CB 4.49Å; L174-C179 WeakPolarHBondContact O-CB 3.44Å; L174-C179 PolarHBondContact O-N 3.32Å; L174-C179 PolarHBondContact O-SG 2.95Å; L174-C179 VanDerWaalsContact O-SG 3.37Å; L174-V182 HydrophobicContact CB-CG2 4.4Å
175L94.6Very high94.8Very high8 Ų812.7 Ų12.74%0.0426%0.058CC..G310 helixtrans-69.4-25.1178.7-60.4171.5000112.1L7 L10 S172 D173 G178 V182 F184 V195 F217L7-L175 HydrophobicContact CD2-CD1 4.42Å; L10-L175 HydrophobicContact CD1-CD1 3.65Å; S172-L175 VanDerWaalsContact O-CB 3.32Å; S172-L175 WeakPolarHBondContact O-CB 3.39Å; S172-L175 WeakPolarHBondContact O-CG 3.28Å; S172-L175 PolarHBondContact O-N 2.78Å; D173-L175 PolarHBondContact O-N 3.18Å; D173-L175 VanDerWaalsContact O-N 3.09Å; L175-G178 PolarHBondContact O-N 3.4Å; L175-V182 HydrophobicContact CD2-CB 4.17Å; L175-V182 HydrophobicContact CD2-CG2 3.71Å; L175-F184 HydrophobicContact CD1-CE2 4.27Å; L175-F184 HydrophobicContact CD1-CZ 4.04Å; L175-F184 HydrophobicContact CG-CZ 4.22Å; L175-V195 HydrophobicContact CD1-CG1 4.36Å; L175-V195 HydrophobicContact CD2-CB 4.47Å; L175-V195 HydrophobicContact CD2-CG1 4.2Å; L175-F217 HydrophobicContact CB-CE1 3.75Å; L175-F217 HydrophobicContact CB-CZ 4.22Å
176L94.9Very high95Very high1 Ų112.8 Ų12.81%0.0056%0.058CC..THydrogen-bonded Turntrans-83.6-28.7177.1-78.174.4000112.5I3 L6 D173 L174 G178 F217 R218 I222 F315I3-L176 HydrophobicContact CD1-CD1 3.38Å; I3-L176 HydrophobicContact CD1-CD2 3.59Å; I3-L176 HydrophobicContact CD1-CG 4.13Å; L6-L176 HydrophobicContact CD2-CD1 3.86Å; D173-L176 WeakPolarHBondContact O-CB 3.41Å; D173-L176 PolarHBondContact O-N 3.43Å; L174-L176 VanDerWaalsContact C-N 3.27Å; L174-L176 PolarHBondContact O-N 3.37Å; L176-G178 PolarHBondContact O-N 3Å; L176-F217 HydrophobicContact CD1-CE1 3.92Å; L176-F217 HydrophobicContact CD1-CZ 4.5Å; L176-F217 HydrophobicContact CG-CE1 4.38Å; L176-R218 HydrophobicContact CB-CB 4.45Å; L176-R218 HydrophobicContact CB-CG 4.41Å; L176-R218 HydrophobicContact CD2-CG 4.44Å; L176-R218 HydrophobicContact CG-CB 4.5Å; L176-R218 PolarHBondContact O-NH1 2.73Å; L176-I222 HydrophobicContact CD2-CG1 4.4Å; L176-F315 HydrophobicContact CB-CD1 3.84Å; L176-F315 HydrophobicContact CB-CE1 3.63Å; L176-F315 HydrophobicContact CB-CE2 4.41Å; L176-F315 HydrophobicContact CB-CG 4.35Å; L176-F315 HydrophobicContact CB-CZ 3.95Å; L176-F315 HydrophobicContact CD2-CD2 4.37Å; L176-F315 HydrophobicContact CD2-CE1 4.25Å; L176-F315 HydrophobicContact CD2-CE2 3.73Å; L176-F315 HydrophobicContact CD2-CZ 3.68Å; L176-F315 HydrophobicContact CG-CZ 4.43Å
177F95.4Very high95.1Very high0 Ų015.7 Ų15.70%07%0.074CC..THydrogen-bonded Turntrans-67.3-5.8164.4-70.7-81.1000112.8D152 A153 A156 R160 D173 L174 Y228 F315 Q318 F331D152-F177 HydrophobicContact CB-CD2 4.01Å; D152-F177 HydrophobicContact CB-CE2 3.51Å; D152-F177 HydrophobicContact CB-CZ 4.13Å; A153-F177 HydrophobicContact CB-CD1 4.11Å; A153-F177 HydrophobicContact CB-CE1 3.66Å; A153-F177 HydrophobicContact CB-CZ 4.17Å; A156-F177 HydrophobicContact CB-CB 3.43Å; A156-F177 VanDerWaalsContact CB-CB 3.43Å; A156-F177 HydrophobicContact CB-CG 4.21Å; R160-F177 WeakPolarHBondContact CD-O 3.33Å; R160-F177 PolarHBondContact NH1-O 3.36Å; D173-F177 WeakPolarHBondContact O-CD2 3.49Å; D173-F177 PolarHBondContact O-N 3.37Å; L174-F177 PolarHBondContact O-N 3.04Å; F177-Y228 HydrophobicContact CZ-CE2 4.37Å; F177-Y228 WeakPolarHBondContact CZ-OH 3.37Å; F177-F315 HydrophobicContact CD1-CD1 4.04Å; F177-F315 VanDerWaalsContact CD1-O 3.25Å; F177-F315 WeakPolarHBondContact CD1-O 3.47Å; F177-F315 AromaticContact CD2-CD1 3.63Å; F177-F315 HydrophobicContact CD2-CD1 3.63Å; F177-F315 AromaticContact CD2-CE1 3.81Å; F177-F315 HydrophobicContact CD2-CE1 3.81Å; F177-F315 HydrophobicContact CE1-CB 4.49Å; F177-F315 AromaticContact CE1-CD1 3.91Å; F177-F315 HydrophobicContact CE1-CD1 3.91Å; F177-F315 AromaticContact CE2-CD1 3.46Å; F177-F315 HydrophobicContact CE2-CD1 3.46Å; F177-F315 VanDerWaalsContact CE2-CD1 3.46Å; F177-F315 AromaticContact CE2-CE1 3.53Å; F177-F315 HydrophobicContact CE2-CE1 3.53Å; F177-F315 AromaticContact CG-CD1 3.91Å; F177-F315 HydrophobicContact CG-CD1 3.91Å; F177-F315 AromaticContact CZ-CD1 3.62Å; F177-F315 HydrophobicContact CZ-CD1 3.62Å; F177-F315 HydrophobicContact CZ-CE1 4.06Å; F177-Q318 VanDerWaalsContact CZ-OE1 3.26Å; F177-F331 HydrophobicContact CB-CE1 4.18Å; F177-F331 HydrophobicContact CB-CZ 4.2Å; F177-F331 HydrophobicContact CD1-CD1 4.12Å; F177-F331 AromaticContact CD1-CE1 3.82Å; F177-F331 HydrophobicContact CD1-CE1 3.82Å; F177-F331 HydrophobicContact CD1-CZ 4.37Å; F177-F331 WeakPolarHBondContact O-CE1 3.47Å; F177-F331 VanDerWaalsContact O-CZ 3.28Å; F177-F331 WeakPolarHBondContact O-CZ 3.46Å
178G92.5Very high95Very high5 Ų519.9 Ų19.95%0.05210%0.096CC..THydrogen-bonded Turntrans79.128.4176.800000114.3R160 L174 L175 L176 R180R160-G178 WeakPolarHBondContact CG-O 3.42Å; L174-G178 PolarHBondContact O-N 3.21Å; L175-G178 PolarHBondContact O-N 3.4Å; L176-G178 PolarHBondContact O-N 3Å; G178-R180 PolarHBondContact O-N 3.1Å
179C93.5Very high94.9Very high3 Ų323.3 Ų23.32%0.0212%0.12CC..  trans-51133.5162.5-74.60000110.3A156 L174 V182A156-C179 WeakPolarHBondContact CA-SG 3.25Å; L174-C179 HydrophobicContact CB-CB 4.49Å; L174-C179 WeakPolarHBondContact O-CB 3.44Å; L174-C179 PolarHBondContact O-N 3.32Å; L174-C179 PolarHBondContact O-SG 2.95Å; L174-C179 VanDerWaalsContact O-SG 3.37Å; C179-V182 HydrophobicContact CB-CG2 3.43Å; C179-V182 VanDerWaalsContact CB-CG2 3.43Å
180R89.9Confident94.8Very high62 Ų6223.2 Ų23.223%0.23412%0.119CC..SBendtrans-89-26.4-176.2-60-54.9179.4109.8-13.5112.7N159 G178 A196 A197 E214 W445N159-R180 PolarHBondContact OD1-N 3.12Å; G178-R180 PolarHBondContact O-N 3.1Å; R180-A196 CarbonylContact O-C 3.52Å; R180-A196 WeakPolarHBondContact O-CA 3.32Å; R180-A196 WeakPolarHBondContact O-CB 3.45Å; R180-A197 PolarHBondContact O-N 2.78Å; R180-E214 IonicContact NH2-OE2 3.3Å; R180-W445 HydrophobicContact CB-CD2 3.93Å; R180-W445 HydrophobicContact CB-CE3 3.49Å; R180-W445 VanDerWaalsContact CB-CE3 3.49Å; R180-W445 HydrophobicContact CB-CH2 3.82Å; R180-W445 HydrophobicContact CB-CZ2 4.24Å; R180-W445 HydrophobicContact CB-CZ3 3.47Å; R180-W445 VanDerWaalsContact CB-CZ3 3.47Å; R180-W445 HydrophobicContact CG-CD2 4.26Å; R180-W445 HydrophobicContact CG-CE3 4.19Å; R180-W445 HydrophobicContact CG-CH2 3.78Å; R180-W445 HydrophobicContact CG-CZ2 3.86Å; R180-W445 HydrophobicContact CG-CZ3 3.99Å
181Q91.5Very high94.9Very high0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-144120.1177.7-57.8-16796.700109.6D165 F166 V167 L194 A196 F444 W445 L446D165-Q181 PolarHBondContact O-NE2 3.39Å; F166-Q181 WeakPolarHBondContact CA-O 3.46Å; F166-Q181 HydrophobicContact CB-CB 3.63Å; V167-Q181 PolarHBondContact N-O 2.84Å; Q181-L194 HydrophobicContact CB-CD1 4.14Å; Q181-A196 HydrophobicContact CG-CB 4.27Å; Q181-F444 PolarHBondContact NE2-O 3.24Å; Q181-W445 HydrophobicContact CG-CE3 4.14Å; Q181-L446 VanDerWaalsContact OE1-N 3.07Å
182V95.7Very high95Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-131.3126178.1-169.40000110.1V167 T169 L174 L175 C179 F184 L194 V195V167-V182 HydrophobicContact CB-CG1 4.44Å; V167-V182 HydrophobicContact CB-CG2 4.46Å; V167-V182 CarbonylContact O-C 3.39Å; V167-V182 WeakPolarHBondContact O-CA 3.07Å; T169-V182 HydrophobicContact CG2-CG1 3.62Å; L174-V182 HydrophobicContact CB-CG2 4.4Å; L175-V182 HydrophobicContact CD2-CB 4.17Å; L175-V182 HydrophobicContact CD2-CG2 3.71Å; C179-V182 HydrophobicContact CB-CG2 3.43Å; C179-V182 VanDerWaalsContact CB-CG2 3.43Å; V182-F184 HydrophobicContact CB-CD2 4.49Å; V182-F184 HydrophobicContact CB-CE2 3.71Å; V182-F184 HydrophobicContact CB-CZ 3.86Å; V182-F184 HydrophobicContact CG1-CD1 4.41Å; V182-F184 HydrophobicContact CG1-CD2 4.22Å; V182-F184 HydrophobicContact CG1-CE1 3.82Å; V182-F184 HydrophobicContact CG1-CE2 3.6Å; V182-F184 HydrophobicContact CG1-CZ 3.37Å; V182-L194 WeakPolarHBondContact O-CA 3.3Å; V182-V195 PolarHBondContact N-O 3.05Å; V182-V195 PolarHBondContact O-N 2.73Å
183V96.4Very high95Very high0 Ų025.3 Ų25.30%014%0.138CC..EExtended strand (participates in β ladder)trans-100.7115.2176.6174.90000109I17 F166 V167 I168 T169 L186 L194I17-V183 HydrophobicContact CD1-CB 4.41Å; I17-V183 HydrophobicContact CD1-CG1 3.87Å; I17-V183 HydrophobicContact CD1-CG2 3.61Å; F166-V183 HydrophobicContact CD2-CB 4.27Å; F166-V183 HydrophobicContact CD2-CG2 3.58Å; F166-V183 HydrophobicContact CE2-CG2 3.94Å; F166-V183 HydrophobicContact CG-CG2 4.42Å; V167-V183 PolarHBondContact O-N 3.03Å; I168-V183 WeakPolarHBondContact CA-O 3.38Å; I168-V183 HydrophobicContact CG1-CB 4.22Å; T169-V183 PolarHBondContact N-O 2.73Å; V183-L186 HydrophobicContact CG1-CB 4.45Å; V183-L194 HydrophobicContact CG2-CD1 3.94Å
184F96.2Very high94.9Very high2 Ų225.4 Ų25.41%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-99.5158.8177.4-61.8-80.4000111.5L7 T169 D171 L175 V182 L186 V193 V195L7-F184 HydrophobicContact CD1-CB 4.33Å; L7-F184 HydrophobicContact CD1-CD1 3.73Å; L7-F184 HydrophobicContact CD1-CD2 4.48Å; L7-F184 HydrophobicContact CD1-CE1 4.13Å; L7-F184 HydrophobicContact CD1-CG 3.92Å; L7-F184 HydrophobicContact CD2-CD1 4.19Å; L7-F184 HydrophobicContact CD2-CD2 3.87Å; L7-F184 HydrophobicContact CD2-CE1 3.98Å; L7-F184 HydrophobicContact CD2-CE2 3.65Å; L7-F184 HydrophobicContact CD2-CG 4.13Å; L7-F184 HydrophobicContact CD2-CZ 3.71Å; T169-F184 HydrophobicContact CG2-CE1 4.18Å; T169-F184 WeakPolarHBondContact O-CA 3.47Å; T169-F184 WeakPolarHBondContact O-CD1 3.5Å; D171-F184 WeakPolarHBondContact O-CE1 3.39Å; L175-F184 HydrophobicContact CD1-CE2 4.27Å; L175-F184 HydrophobicContact CD1-CZ 4.04Å; L175-F184 HydrophobicContact CG-CZ 4.22Å; V182-F184 HydrophobicContact CB-CD2 4.49Å; V182-F184 HydrophobicContact CB-CE2 3.71Å; V182-F184 HydrophobicContact CB-CZ 3.86Å; V182-F184 HydrophobicContact CG1-CD1 4.41Å; V182-F184 HydrophobicContact CG1-CD2 4.22Å; V182-F184 HydrophobicContact CG1-CE1 3.82Å; V182-F184 HydrophobicContact CG1-CE2 3.6Å; V182-F184 HydrophobicContact CG1-CZ 3.37Å; F184-L186 PolarHBondContact O-N 3.4Å; F184-L186 VanDerWaalsContact O-N 3.13Å; F184-V193 PolarHBondContact N-O 2.91Å; F184-V193 PolarHBondContact O-N 3.09Å; F184-V195 HydrophobicContact CD2-CB 4.43Å; F184-V195 HydrophobicContact CD2-CG2 3.92Å; F184-V195 HydrophobicContact CE2-CB 3.99Å; F184-V195 HydrophobicContact CE2-CG2 3.81Å
185K95.3Very high94.8Very high122 Ų12225.5 Ų25.553%0.5314%0.14SC..SBendtrans56.229169.8-55.4174.6-176.8173.20115E170 D187E170-K185 WeakPolarHBondContact OE1-CA 3.45Å; E170-K185 WeakPolarHBondContact OE2-CA 3.48Å; E170-K185 PolarHBondContact OE2-N 3.39Å; K185-D187 PolarHBondContact O-N 3.41Å
186L97.1Very high94.2Very high2 Ų225.2 Ų25.21%0.0114%0.138CC..  trans-59.1132.8177-174.766.6000110L19 W34 Y62 I168 V183 F184 G190 S191L19-L186 HydrophobicContact CB-CD1 4.49Å; W34-L186 HydrophobicContact CZ2-CD2 4.37Å; Y62-L186 HydrophobicContact CD1-CD2 4.17Å; Y62-L186 HydrophobicContact CD1-CG 4.43Å; Y62-L186 HydrophobicContact CE1-CD2 4.45Å; Y62-L186 HydrophobicContact CE1-CG 4.23Å; Y62-L186 PolarHBondContact OH-O 3.06Å; I168-L186 HydrophobicContact CD1-CD2 3.88Å; I168-L186 HydrophobicContact CG1-CD2 4.46Å; I168-L186 HydrophobicContact CG2-CB 4.17Å; I168-L186 HydrophobicContact CG2-CD2 3.97Å; V183-L186 HydrophobicContact CG1-CB 4.45Å; F184-L186 PolarHBondContact O-N 3.4Å; F184-L186 VanDerWaalsContact O-N 3.13Å; L186-G190 WeakPolarHBondContact CD1-O 3.47Å; L186-S191 WeakPolarHBondContact CA-O 3.34Å
187D96.6Very high93.3Very high62 Ų6226.7 Ų26.733%0.33215%0.151SC..  trans-118.1177.7174.174.234.2000112.9L65 K185 S189 G190 S191L65-D187 WeakPolarHBondContact CD2-O 3.28Å; K185-D187 PolarHBondContact O-N 3.41Å; D187-S189 PolarHBondContact O-N 3.27Å; D187-S189 WeakPolarHBondContact OD1-CA 3.49Å; D187-S189 VanDerWaalsContact OD1-CB 3.3Å; D187-S189 WeakPolarHBondContact OD1-CB 3.45Å; D187-S189 PolarHBondContact OD1-N 3.15Å; D187-S189 PolarHBondContact OD1-OG 3.18Å; D187-G190 PolarHBondContact O-N 3.33Å; D187-G190 VanDerWaalsContact O-N 3.09Å; D187-S191 PolarHBondContact N-O 2.93Å
188L95.9Very high91.8Very high88 Ų8828.1 Ų28.146%0.46116%0.163SC..THydrogen-bonded Turntrans-75.3-0.3-176.3-69.5177.2000114.8K61 Y62K61-L188 HydrophobicContact CB-CD1 4.45Å; K61-L188 HydrophobicContact CB-CD2 3.83Å; K61-L188 HydrophobicContact CD-CD1 4.3Å; Y62-L188 HydrophobicContact CD1-CD2 4.18Å; Y62-L188 HydrophobicContact CD2-CD2 3.63Å; Y62-L188 HydrophobicContact CE1-CD2 4.08Å; Y62-L188 HydrophobicContact CE2-CD2 3.47Å; Y62-L188 VanDerWaalsContact CE2-CD2 3.47Å; Y62-L188 HydrophobicContact CE2-CG 3.88Å; Y62-L188 HydrophobicContact CG-CD2 3.97Å
189S96.7Very high90.6Very high73 Ų7328.5 Ų28.551%0.5117%0.165SC..THydrogen-bonded Turntrans-90-3.2166.475.50000113N18 D187 S191N18-S189 PolarHBondContact ND2-O 3.05Å; D187-S189 PolarHBondContact O-N 3.27Å; D187-S189 WeakPolarHBondContact OD1-CA 3.49Å; D187-S189 VanDerWaalsContact OD1-CB 3.3Å; D187-S189 WeakPolarHBondContact OD1-CB 3.45Å; D187-S189 PolarHBondContact OD1-N 3.15Å; D187-S189 PolarHBondContact OD1-OG 3.18Å; S189-S191 VanDerWaalsContact C-N 3.25Å; S189-S191 WeakPolarHBondContact OG-CB 3.32Å; S189-S191 PolarHBondContact OG-N 3.43Å; S189-S191 PolarHBondContact OG-OG 3.26Å
190G96Very high89.7Confident0 Ų029 Ų290%017%0.17CC..SBendtrans82.6-3.6-172.100000113.7N18 L19 L186 D187N18-G190 CarbonylContact C-O 3.56Å; N18-G190 WeakPolarHBondContact CA-O 3.27Å; L19-G190 PolarHBondContact N-O 3.39Å; L186-G190 WeakPolarHBondContact CD1-O 3.47Å; D187-G190 PolarHBondContact O-N 3.33Å; D187-G190 VanDerWaalsContact O-N 3.09Å
191S97.3Very high89.5Confident50 Ų5026.4 Ų26.435%0.3516%0.161SC..EExtended strand (participates in β ladder)trans-71.3137176.3-73.70000111.8I17 L186 D187 S189I17-S191 WeakPolarHBondContact O-CA 3.49Å; L186-S191 WeakPolarHBondContact CA-O 3.34Å; D187-S191 PolarHBondContact N-O 2.93Å; S189-S191 VanDerWaalsContact C-N 3.25Å; S189-S191 WeakPolarHBondContact OG-CB 3.32Å; S189-S191 PolarHBondContact OG-N 3.43Å; S189-S191 PolarHBondContact OG-OG 3.26Å
192G95.9Very high89.3Confident8 Ų827.1 Ų27.18%0.08217%0.166CC..EExtended strand (participates in β ladder)trans-158.1-177.6178.800000112.6P16 I17P16-G192 WeakPolarHBondContact CA-O 3.25Å; I17-G192 PolarHBondContact N-O 3.21Å; I17-G192 PolarHBondContact O-N 3.37Å; I17-G192 VanDerWaalsContact O-N 3.09Å
193V94.1Very high88.7Confident41 Ų4133.3 Ų33.325%0.24819%0.194CC..EExtended strand (participates in β ladder)trans-124.7108.8-179.9-179.70000109.9A15 F184A15-V193 CarbonylContact O-C 3.54Å; A15-V193 WeakPolarHBondContact O-CA 3.1Å; F184-V193 PolarHBondContact N-O 2.91Å; F184-V193 PolarHBondContact O-N 3.09Å
194L93.1Very high88.2Confident6 Ų634.4 Ų34.43%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-77.9130.9173.5179.267.8000110.2S14 A15 I17 F22 Q181 V182 V183 A196 I454S14-L194 CarbonylContact C-O 3.56Å; S14-L194 VanDerWaalsContact CA-O 3.3Å; S14-L194 WeakPolarHBondContact CA-O 3.4Å; A15-L194 PolarHBondContact N-O 2.84Å; A15-L194 PolarHBondContact O-N 2.64Å; I17-L194 HydrophobicContact CD1-CB 4.37Å; I17-L194 HydrophobicContact CG1-CB 4.46Å; I17-L194 HydrophobicContact CG2-CB 3.81Å; I17-L194 HydrophobicContact CG2-CD2 4.46Å; F22-L194 HydrophobicContact CZ-CD2 4.42Å; Q181-L194 HydrophobicContact CB-CD1 4.14Å; V182-L194 WeakPolarHBondContact O-CA 3.3Å; V183-L194 HydrophobicContact CG2-CD1 3.94Å; L194-A196 HydrophobicContact CD2-CB 4.45Å; L194-A196 HydrophobicContact CG-CB 4.38Å; L194-I454 HydrophobicContact CD2-CD1 4.05Å
195V91.7Very high87.8Confident2 Ų234.4 Ų34.41%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-113.8125.8155.9-177.40000107.1L10 L175 V182 F184 I201L10-V195 HydrophobicContact CD1-CG1 4.49Å; L175-V195 HydrophobicContact CD1-CG1 4.36Å; L175-V195 HydrophobicContact CD2-CB 4.47Å; L175-V195 HydrophobicContact CD2-CG1 4.2Å; V182-V195 PolarHBondContact N-O 3.05Å; V182-V195 PolarHBondContact O-N 2.73Å; F184-V195 HydrophobicContact CD2-CB 4.43Å; F184-V195 HydrophobicContact CD2-CG2 3.92Å; F184-V195 HydrophobicContact CE2-CB 3.99Å; F184-V195 HydrophobicContact CE2-CG2 3.81Å; V195-I201 HydrophobicContact CG1-CD1 4.19Å
196A83.2Confident87.4Confident2 Ų230.5 Ų30.52%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-122.2142.9176.800000110.6R180 Q181 L194 A198 S199R180-A196 CarbonylContact O-C 3.52Å; R180-A196 WeakPolarHBondContact O-CA 3.32Å; R180-A196 WeakPolarHBondContact O-CB 3.45Å; Q181-A196 HydrophobicContact CG-CB 4.27Å; L194-A196 HydrophobicContact CD2-CB 4.45Å; L194-A196 HydrophobicContact CG-CB 4.38Å; A196-A198 PolarHBondContact O-N 3.3Å; A196-A198 VanDerWaalsContact O-N 3.16Å; A196-S199 WeakPolarHBondContact O-CB 3.3Å; A196-S199 PolarHBondContact O-N 2.67Å
197A74.8Confident86.9Confident32 Ų3230.7 Ų30.726%0.26420%0.197SC..THydrogen-bonded Turntrans-64-23.5-172.900000113.4R180 S199R180-A197 PolarHBondContact O-N 2.78Å; A197-S199 VanDerWaalsContact C-N 3.34Å
198A65.5Low86.4Confident31 Ų3131 Ų3126%0.25620%0.203SC..THydrogen-bonded Turntrans-85.31.3175.800000114.3A196 R447 F460 I463A196-A198 PolarHBondContact O-N 3.3Å; A196-A198 VanDerWaalsContact O-N 3.16Å; A198-R447 HydrophobicContact CB-CB 4.26Å; A198-R447 HydrophobicContact CB-CG 4.4Å; A198-F460 HydrophobicContact CB-CE2 4.11Å; A198-I463 HydrophobicContact CB-CD1 4.08Å
199S66.8Low85.8Confident13 Ų1330.1 Ų30.19%0.09121%0.208CC..SBendtrans-122.429.6-155.8-59.60000115.6A13 A196 A197 R448A13-S199 VanDerWaalsContact CA-O 3.28Å; A13-S199 WeakPolarHBondContact CA-O 3.37Å; A196-S199 WeakPolarHBondContact O-CB 3.3Å; A196-S199 PolarHBondContact O-N 2.67Å; A197-S199 VanDerWaalsContact C-N 3.34Å; S199-R448 PolarHBondContact OG-N 2.77Å
200G74.9Confident85.2Confident12 Ų1231.8 Ų31.812%0.12422%0.22CC..SBendtrans127.85.3169.600000117A13 E203 C204A13-G200 VanDerWaalsContact CB-C 3.48Å; G200-E203 WeakPolarHBondContact CA-OE2 3.39Å; G200-C204 PolarHBondContact O-N 2.78Å; G200-C204 PolarHBondContact O-SG 2.76Å
201I85.6Confident84.7Confident9 Ų936.1 Ų36.15%0.04624%0.24CC..Hα-helixtrans-70-36.6-171.7-55.6-172.5000111.8L10 A13 V195 E203 C204 C205 F212 F217L10-I201 HydrophobicContact CD2-CG1 4.49Å; L10-I201 HydrophobicContact CD2-CG2 3.99Å; A13-I201 HydrophobicContact CB-CG1 3.96Å; V195-I201 HydrophobicContact CG1-CD1 4.19Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 2.77Å; I201-C204 PolarHBondContact O-N 2.62Å; I201-C205 PolarHBondContact O-N 3.17Å; I201-C205 VanDerWaalsContact O-N 3.07Å; I201-C205 PolarHBondContact O-SG 2.97Å; I201-C205 VanDerWaalsContact O-SG 3.39Å; I201-F212 HydrophobicContact CB-CZ 4.16Å; I201-F212 HydrophobicContact CG2-CE2 4.21Å; I201-F212 HydrophobicContact CG2-CZ 3.65Å; I201-F217 HydrophobicContact CG2-CD2 3.52Å; I201-F217 HydrophobicContact CG2-CE2 3.55Å; I201-F217 HydrophobicContact CG2-CG 4.21Å; I201-F217 HydrophobicContact CG2-CZ 4.26Å
202C85.7Confident84.2Confident15 Ų1535.9 Ų35.910%0.10123%0.233CC..Hα-helixtrans-68.7-36.318073.10000111.9C205 G206 I207 F212C202-C205 CarbonylContact O-C 3.44Å; C202-C205 WeakPolarHBondContact O-CB 3Å; C202-C205 PolarHBondContact O-N 3.34Å; C202-G206 PolarHBondContact O-N 3.21Å; C202-I207 CarbonylContact C-O 3.42Å; C202-I207 WeakPolarHBondContact CB-O 3.41Å; C202-I207 PolarHBondContact O-N 3.12Å; C202-F212 HydrophobicContact CB-CB 3.54Å; C202-F212 HydrophobicContact CB-CD1 3.7Å; C202-F212 HydrophobicContact CB-CD2 3.61Å; C202-F212 HydrophobicContact CB-CE1 4.27Å; C202-F212 HydrophobicContact CB-CE2 4.19Å; C202-F212 HydrophobicContact CB-CG 3.32Å; C202-F212 HydrophobicContact CB-CZ 4.49Å
203E84.3Confident83.9Confident130 Ų13038.6 Ų38.661%0.60725%0.248SC*.Hα-helixtrans-66.9-41.1174.3-57.989.8150.900111.6G200 I201 C205 G206G200-E203 WeakPolarHBondContact CA-OE2 3.39Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 2.77Å; E203-C205 VanDerWaalsContact C-N 3.28Å; E203-C205 PolarHBondContact O-N 2.86Å; E203-G206 WeakPolarHBondContact O-CA 3.44Å; E203-G206 PolarHBondContact O-N 3.34Å
204C85.4Confident83.7Confident22 Ų2239.1 Ų39.115%0.14925%0.248CC..Hα-helixtrans-61.4-37.7171.7-65.80000111.8F9 L10 G200 I201 G206F9-C204 HydrophobicContact CE1-CB 4.25Å; F9-C204 VanDerWaalsContact CZ-O 3.27Å; F9-C204 WeakPolarHBondContact CZ-O 3.41Å; L10-C204 HydrophobicContact CD2-CB 3.91Å; G200-C204 PolarHBondContact O-N 2.78Å; G200-C204 PolarHBondContact O-SG 2.76Å; I201-C204 PolarHBondContact O-N 2.62Å; C204-G206 PolarHBondContact O-N 3.47Å
205C87.4Confident83.7Confident2 Ų240.7 Ų40.71%0.01426%0.259CS..THydrogen-bonded Turntrans-73.8-13.3171.2-65.20000113.5I201 C202 E203 I207 F212 R245I201-C205 PolarHBondContact O-N 3.17Å; I201-C205 VanDerWaalsContact O-N 3.07Å; I201-C205 PolarHBondContact O-SG 2.97Å; I201-C205 VanDerWaalsContact O-SG 3.39Å; C202-C205 CarbonylContact O-C 3.44Å; C202-C205 WeakPolarHBondContact O-CB 3Å; C202-C205 PolarHBondContact O-N 3.34Å; E203-C205 VanDerWaalsContact C-N 3.28Å; E203-C205 PolarHBondContact O-N 2.86Å; C205-I207 HydrophobicContact CB-CB 4.39Å; C205-I207 HydrophobicContact CB-CD1 3.81Å; C205-I207 HydrophobicContact CB-CG1 3.92Å; C205-I207 PolarHBondContact O-N 2.63Å; C205-F212 HydrophobicContact CB-CE2 4.42Å; C205-R245 WeakPolarHBondContact O-CD 3.35Å; C205-R245 WeakPolarHBondContact O-CG 3.47Å; C205-R245 PolarHBondContact O-NH1 3.35Å
206G87.4Confident83.7Confident41 Ų4141.3 Ų41.342%0.42326%0.262SS..THydrogen-bonded Turntrans61.923.6-170.700000114C202 E203 C204 R245C202-G206 PolarHBondContact O-N 3.21Å; E203-G206 WeakPolarHBondContact O-CA 3.44Å; E203-G206 PolarHBondContact O-N 3.34Å; C204-G206 PolarHBondContact O-N 3.47Å; G206-R245 WeakPolarHBondContact O-CD 3.34Å; G206-R245 WeakPolarHBondContact O-CG 3.26Å
207I87.1Confident84.3Confident5 Ų541.6 Ų41.63%0.02626%0.263CS..  trans-99.5126.7179.1-60.2169.9000107.1C202 C205 A209 Q211 F212 K216 L244 R245C202-I207 CarbonylContact C-O 3.42Å; C202-I207 WeakPolarHBondContact CB-O 3.41Å; C202-I207 PolarHBondContact O-N 3.12Å; C205-I207 HydrophobicContact CB-CB 4.39Å; C205-I207 HydrophobicContact CB-CD1 3.81Å; C205-I207 HydrophobicContact CB-CG1 3.92Å; C205-I207 PolarHBondContact O-N 2.63Å; I207-A209 PolarHBondContact O-N 3.36Å; I207-Q211 HydrophobicContact CG2-CB 3.99Å; I207-Q211 WeakPolarHBondContact CG2-O 3.45Å; I207-F212 HydrophobicContact CB-CB 4.41Å; I207-F212 HydrophobicContact CB-CD2 4.34Å; I207-F212 HydrophobicContact CD1-CD2 4.28Å; I207-F212 HydrophobicContact CG2-CB 3.95Å; I207-K216 HydrophobicContact CD1-CD 4.36Å; I207-L244 HydrophobicContact CD1-CB 3.85Å; I207-R245 HydrophobicContact CG1-CG 3.62Å
208P85.2Confident85.2Confident70 Ų7040.5 Ų40.546%0.45525%0.252SS..  trans-54.5140.1174.6-24.733.9000111.1S210 Q211 F212P208-S210 PolarHBondContact O-N 3.15Å; P208-S210 VanDerWaalsContact O-N 3.12Å; P208-Q211 CarbonylContact O-C 3.5Å; P208-Q211 WeakPolarHBondContact O-CA 3.2Å; P208-Q211 PolarHBondContact O-N 3.1Å; P208-F212 PolarHBondContact O-N 2.61Å
209A83.5Confident86.7Confident68 Ų6839.9 Ų39.956%0.56224%0.243SC*.G310 helixtrans-50.2-43.4-175.400000112.9I207 Q211 F212I207-A209 PolarHBondContact O-N 3.36Å; A209-Q211 PolarHBondContact O-N 3.18Å; A209-F212 PolarHBondContact O-N 3.04Å; A209-F212 VanDerWaalsContact O-N 3.11Å
210S84.4Confident88.1Confident108 Ų10839.3 Ų39.376%0.75524%0.239SC*.G310 helixtrans-64.2-7.1176.858.40000116P208P208-S210 PolarHBondContact O-N 3.15Å; P208-S210 VanDerWaalsContact O-N 3.12Å
211Q84.6Confident89.1Confident91 Ų9138.8 Ų38.843%0.42523%0.233SC..G310 helixtrans-123.12.1177-59-174.43200113.3I207 P208 A209 K216I207-Q211 HydrophobicContact CG2-CB 3.99Å; I207-Q211 WeakPolarHBondContact CG2-O 3.45Å; P208-Q211 CarbonylContact O-C 3.5Å; P208-Q211 WeakPolarHBondContact O-CA 3.2Å; P208-Q211 PolarHBondContact O-N 3.1Å; A209-Q211 PolarHBondContact O-N 3.18Å; Q211-K216 WeakPolarHBondContact O-CD 3.19Å; Q211-K216 WeakPolarHBondContact O-CE 3.49Å; Q211-K216 PolarHBondContact O-NZ 2.73Å
212F87.3Confident89.7Confident45 Ų4538.3 Ų38.320%0.19723%0.231CC..  trans-93141.6178.1179.5-97.5000110.3I201 C202 C205 I207 P208 A209 F217I201-F212 HydrophobicContact CB-CZ 4.16Å; I201-F212 HydrophobicContact CG2-CE2 4.21Å; I201-F212 HydrophobicContact CG2-CZ 3.65Å; C202-F212 HydrophobicContact CB-CB 3.54Å; C202-F212 HydrophobicContact CB-CD1 3.7Å; C202-F212 HydrophobicContact CB-CD2 3.61Å; C202-F212 HydrophobicContact CB-CE1 4.27Å; C202-F212 HydrophobicContact CB-CE2 4.19Å; C202-F212 HydrophobicContact CB-CG 3.32Å; C202-F212 HydrophobicContact CB-CZ 4.49Å; C205-F212 HydrophobicContact CB-CE2 4.42Å; I207-F212 HydrophobicContact CB-CB 4.41Å; I207-F212 HydrophobicContact CB-CD2 4.34Å; I207-F212 HydrophobicContact CD1-CD2 4.28Å; I207-F212 HydrophobicContact CG2-CB 3.95Å; P208-F212 PolarHBondContact O-N 2.61Å; A209-F212 PolarHBondContact O-N 3.04Å; A209-F212 VanDerWaalsContact O-N 3.11Å; F212-F217 HydrophobicContact CE2-CB 3.98Å; F212-F217 HydrophobicContact CE2-CD2 4.45Å; F212-F217 HydrophobicContact CZ-CB 3.75Å; F212-F217 HydrophobicContact CZ-CD2 4.34Å; F212-F217 HydrophobicContact CZ-CG 4.25Å
213T89.5Confident90.2Very high66 Ų6637.6 Ų37.641%0.40523%0.226SC..  trans-142.6154.9176.165.40000110.1S215 K216 F217T213-S215 PolarHBondContact O-N 3.46Å; T213-K216 PolarHBondContact O-N 3.26Å; T213-K216 VanDerWaalsContact O-N 3.1Å; T213-K216 PolarHBondContact OG1-N 3.35Å; T213-F217 PolarHBondContact O-N 3.13Å; T213-F217 VanDerWaalsContact O-N 3.1Å
214E89.8Confident90.8Very high51 Ų5132.7 Ų32.724%0.23821%0.208CC..Hα-helixtrans-51.8-43171.5-168.7-167.1109.200111R160 R180 F217 R218R160-E214 IonicContact CZ-OE1 2.69Å; R160-E214 IonicContact CZ-OE2 2.65Å; R160-E214 VanDerWaalsContact NH1-CD 3.26Å; R160-E214 IonicContact NH1-OE1 3.55Å; R160-E214 PolarHBondContact NH1-OE1 3.36Å; R160-E214 IonicContact NH1-OE2 3.7Å; R160-E214 PolarHBondContact NH1-OE2 3.01Å; R160-E214 VanDerWaalsContact NH1-OE2 3.16Å; R160-E214 IonicContact NH2-OE1 3.99Å; R160-E214 IonicContact NH2-OE2 2.97Å; R180-E214 IonicContact NH2-OE2 3.3Å; E214-F217 PolarHBondContact O-N 3.18Å; E214-R218 PolarHBondContact O-N 3.4Å; E214-R218 IonicContact OE1-CZ 3.93Å; E214-R218 IonicContact OE1-NH1 3.69Å; E214-R218 PolarHBondContact OE1-NH1 2.95Å; E214-R218 IonicContact OE1-NH2 2.73Å
215S93Very high91.3Very high40 Ų4032.2 Ų32.228%0.2821%0.207SC..Hα-helixtrans-61-45.4176.3-43.90000112.6T213 F217 R218 Y219T213-S215 PolarHBondContact O-N 3.46Å; S215-F217 VanDerWaalsContact C-N 3.29Å; S215-F217 PolarHBondContact O-N 2.76Å; S215-R218 PolarHBondContact O-N 3.26Å; S215-Y219 WeakPolarHBondContact O-CD1 3.5Å; S215-Y219 WeakPolarHBondContact O-CD2 3.41Å; S215-Y219 WeakPolarHBondContact O-CE1 3.24Å; S215-Y219 PolarHBondContact O-N 3.14Å
216K93.3Very high91.7Very high15 Ų1532.8 Ų32.87%0.06521%0.21CC..Hα-helixtrans-59.6-40.4175.2-81.2-168.6175.4-172.10111.8I207 Q211 T213 Y219 M220 L244 T247I207-K216 HydrophobicContact CD1-CD 4.36Å; Q211-K216 WeakPolarHBondContact O-CD 3.19Å; Q211-K216 WeakPolarHBondContact O-CE 3.49Å; Q211-K216 PolarHBondContact O-NZ 2.73Å; T213-K216 PolarHBondContact O-N 3.26Å; T213-K216 VanDerWaalsContact O-N 3.1Å; T213-K216 PolarHBondContact OG1-N 3.35Å; K216-Y219 PolarHBondContact O-N 3.41Å; K216-M220 PolarHBondContact O-N 2.98Å; K216-L244 HydrophobicContact CB-CD2 4.29Å; K216-L244 HydrophobicContact CG-CD2 4.14Å; K216-L244 PolarHBondContact NZ-O 2.84Å; K216-L244 VanDerWaalsContact O-CD1 3.22Å; K216-L244 WeakPolarHBondContact O-CD1 3.39Å; K216-T247 PolarHBondContact NZ-O 2.94Å
217F94.1Very high91.9Very high8 Ų831.8 Ų31.84%0.03520%0.196CC..Hα-helixtrans-66.1-41.5176.8-178.9-102.7000112.1L6 L10 L175 L176 I201 F212 T213 E214 S215 M220 G221L6-F217 HydrophobicContact CD1-CE2 4.27Å; L6-F217 HydrophobicContact CD1-CZ 4.09Å; L6-F217 HydrophobicContact CD2-CZ 4.24Å; L10-F217 HydrophobicContact CD1-CE2 4.35Å; L10-F217 HydrophobicContact CD1-CZ 4.03Å; L10-F217 HydrophobicContact CD2-CE2 4.18Å; L175-F217 HydrophobicContact CB-CE1 3.75Å; L175-F217 HydrophobicContact CB-CZ 4.22Å; L176-F217 HydrophobicContact CD1-CE1 3.92Å; L176-F217 HydrophobicContact CD1-CZ 4.5Å; L176-F217 HydrophobicContact CG-CE1 4.38Å; I201-F217 HydrophobicContact CG2-CD2 3.52Å; I201-F217 HydrophobicContact CG2-CE2 3.55Å; I201-F217 HydrophobicContact CG2-CG 4.21Å; I201-F217 HydrophobicContact CG2-CZ 4.26Å; F212-F217 HydrophobicContact CE2-CB 3.98Å; F212-F217 HydrophobicContact CE2-CD2 4.45Å; F212-F217 HydrophobicContact CZ-CB 3.75Å; F212-F217 HydrophobicContact CZ-CD2 4.34Å; F212-F217 HydrophobicContact CZ-CG 4.25Å; T213-F217 PolarHBondContact O-N 3.13Å; T213-F217 VanDerWaalsContact O-N 3.1Å; E214-F217 PolarHBondContact O-N 3.18Å; S215-F217 VanDerWaalsContact C-N 3.29Å; S215-F217 PolarHBondContact O-N 2.76Å; F217-M220 HydrophobicContact CD2-CE 3.71Å; F217-M220 HydrophobicContact CE2-CE 3.53Å; F217-M220 VanDerWaalsContact O-CB 3.27Å; F217-M220 WeakPolarHBondContact O-CB 3.15Å; F217-M220 PolarHBondContact O-N 2.85Å; F217-M220 VanDerWaalsContact O-N 3.16Å; F217-G221 PolarHBondContact O-N 2.89Å
218R95.5Very high92.3Very high9 Ų932.2 Ų32.23%0.03420%0.197CC..Hα-helixtrans-59.3-45.9171.5175.8160.653.8-111.72.6112.4L176 E214 S215 M220 G221 I222 E312 F315L176-R218 HydrophobicContact CB-CB 4.45Å; L176-R218 HydrophobicContact CB-CG 4.41Å; L176-R218 HydrophobicContact CD2-CG 4.44Å; L176-R218 HydrophobicContact CG-CB 4.5Å; L176-R218 PolarHBondContact O-NH1 2.73Å; E214-R218 PolarHBondContact O-N 3.4Å; E214-R218 IonicContact OE1-CZ 3.93Å; E214-R218 IonicContact OE1-NH1 3.69Å; E214-R218 PolarHBondContact OE1-NH1 2.95Å; E214-R218 IonicContact OE1-NH2 2.73Å; S215-R218 PolarHBondContact O-N 3.26Å; R218-M220 PolarHBondContact O-N 3.07Å; R218-G221 PolarHBondContact O-N 2.62Å; R218-I222 HydrophobicContact CG-CD1 3.64Å; R218-I222 HydrophobicContact CG-CG1 4.49Å; R218-I222 WeakPolarHBondContact O-CD1 3.45Å; R218-I222 VanDerWaalsContact O-CG1 3.32Å; R218-I222 WeakPolarHBondContact O-CG1 3.47Å; R218-I222 PolarHBondContact O-N 3Å; R218-E312 IonicContact CZ-OE1 3.74Å; R218-E312 IonicContact NE-OE1 2.73Å; R218-E312 PolarHBondContact NE-OE1 3.08Å; R218-E312 IonicContact NH2-OE1 3.87Å; R218-F315 HydrophobicContact CG-CB 4.34Å; R218-F315 HydrophobicContact CG-CD2 4.36Å; R218-F315 HydrophobicContact CG-CG 4.48Å
219Y96.7Very high92.7Very high17 Ų1729.3 Ų29.37%0.06718%0.177CC..Hα-helixtrans-59.7-35.7174.8-56.1-13.2000111.9S215 K216 M223 L244 T250 F252 L255 E312S215-Y219 WeakPolarHBondContact O-CD1 3.5Å; S215-Y219 WeakPolarHBondContact O-CD2 3.41Å; S215-Y219 WeakPolarHBondContact O-CE1 3.24Å; S215-Y219 PolarHBondContact O-N 3.14Å; K216-Y219 PolarHBondContact O-N 3.41Å; Y219-M223 WeakPolarHBondContact O-CB 3.29Å; Y219-M223 WeakPolarHBondContact O-CE 3.43Å; Y219-M223 VanDerWaalsContact O-CG 3.28Å; Y219-M223 WeakPolarHBondContact O-CG 3.33Å; Y219-M223 PolarHBondContact O-N 3.27Å; Y219-L244 HydrophobicContact CD2-CD2 4.49Å; Y219-T250 WeakPolarHBondContact CE2-O 3.31Å; Y219-T250 PolarHBondContact OH-O 3.47Å; Y219-F252 HydrophobicContact CD1-CB 4.03Å; Y219-F252 HydrophobicContact CD1-CD1 4.34Å; Y219-F252 AromaticContact CD1-CD2 3.51Å; Y219-F252 HydrophobicContact CD1-CD2 3.51Å; Y219-F252 HydrophobicContact CD1-CE2 4.01Å; Y219-F252 AromaticContact CD1-CG 3.71Å; Y219-F252 HydrophobicContact CD1-CG 3.71Å; Y219-F252 AromaticContact CD2-CD2 3.83Å; Y219-F252 HydrophobicContact CD2-CD2 3.83Å; Y219-F252 HydrophobicContact CE1-CB 3.68Å; Y219-F252 HydrophobicContact CE1-CD2 4.07Å; Y219-F252 AromaticContact CE1-CG 3.89Å; Y219-F252 HydrophobicContact CE1-CG 3.89Å; Y219-F252 HydrophobicContact CE2-CB 4.18Å; Y219-F252 HydrophobicContact CE2-CD2 4.33Å; Y219-F252 HydrophobicContact CG-CB 4.48Å; Y219-F252 AromaticContact CG-CD2 3.41Å; Y219-F252 HydrophobicContact CG-CD2 3.41Å; Y219-F252 VanDerWaalsContact CG-CD2 3.41Å; Y219-F252 AromaticContact CG-CE2 3.82Å; Y219-F252 HydrophobicContact CG-CE2 3.82Å; Y219-F252 HydrophobicContact CG-CG 4.08Å; Y219-L255 HydrophobicContact CD2-CD2 4.29Å; Y219-E312 HydrophobicContact CD1-CG 3.84Å; Y219-E312 HydrophobicContact CE1-CG 3.54Å
220M96Very high93.2Very high1 Ų130.8 Ų30.81%0.00518%0.183CC..Hα-helixtrans-61.4-48.3178.4-168.9-179.568.900112.2L6 F9 K216 F217 R218 A224 L237 A240 A241 L244L6-M220 HydrophobicContact CD1-CE 4.26Å; F9-M220 HydrophobicContact CD1-CE 4.16Å; F9-M220 HydrophobicContact CE1-CE 3.64Å; F9-M220 HydrophobicContact CE1-SD 3.95Å; F9-M220 HydrophobicContact CZ-CE 4.32Å; F9-M220 HydrophobicContact CZ-SD 4.05Å; K216-M220 PolarHBondContact O-N 2.98Å; F217-M220 HydrophobicContact CD2-CE 3.71Å; F217-M220 HydrophobicContact CE2-CE 3.53Å; F217-M220 VanDerWaalsContact O-CB 3.27Å; F217-M220 WeakPolarHBondContact O-CB 3.15Å; F217-M220 PolarHBondContact O-N 2.85Å; F217-M220 VanDerWaalsContact O-N 3.16Å; R218-M220 PolarHBondContact O-N 3.07Å; M220-A224 WeakPolarHBondContact O-CB 3.48Å; M220-A224 PolarHBondContact O-N 2.66Å; M220-L237 HydrophobicContact CE-CD2 4.2Å; M220-L237 HydrophobicContact CG-CD2 4.41Å; M220-A240 HydrophobicContact CB-CB 4.48Å; M220-A240 HydrophobicContact CG-CB 3.75Å; M220-A241 HydrophobicContact SD-CB 3.76Å; M220-L244 HydrophobicContact CB-CD1 3.47Å; M220-L244 VanDerWaalsContact CB-CD1 3.47Å; M220-L244 HydrophobicContact CG-CD1 4.01Å
221G96.4Very high93.7Very high1 Ų126 Ų261%0.0115%0.15CC..Hα-helixtrans-72.1-39.5-179.300000112.7F217 R218 A224 G225F217-G221 PolarHBondContact O-N 2.89Å; R218-G221 PolarHBondContact O-N 2.62Å; G221-A224 CarbonylContact O-C 3.53Å; G221-A224 PolarHBondContact O-N 3.42Å; G221-G225 PolarHBondContact O-N 3.42Å
222I97.3Very high94.2Very high0 Ų021.7 Ų21.70%013%0.131CC..Hα-helixtrans-61.2-47.4174.2-62.8161.7000110.6L176 R218 A224 G225 F229 F252 A308 A311 E312 F315L176-I222 HydrophobicContact CD2-CG1 4.4Å; R218-I222 HydrophobicContact CG-CD1 3.64Å; R218-I222 HydrophobicContact CG-CG1 4.49Å; R218-I222 WeakPolarHBondContact O-CD1 3.45Å; R218-I222 VanDerWaalsContact O-CG1 3.32Å; R218-I222 WeakPolarHBondContact O-CG1 3.47Å; R218-I222 PolarHBondContact O-N 3Å; I222-A224 PolarHBondContact O-N 2.6Å; I222-G225 PolarHBondContact O-N 3.3Å; I222-G225 VanDerWaalsContact O-N 3.13Å; I222-F229 HydrophobicContact CG2-CD1 3.79Å; I222-F229 HydrophobicContact CG2-CE1 4.38Å; I222-F229 VanDerWaalsContact O-CD1 3.26Å; I222-F229 WeakPolarHBondContact O-CD1 3.34Å; I222-F229 WeakPolarHBondContact O-CE1 3.33Å; I222-F252 HydrophobicContact CB-CZ 4.18Å; I222-F252 HydrophobicContact CD1-CE1 4.42Å; I222-F252 HydrophobicContact CG2-CE1 3.94Å; I222-F252 HydrophobicContact CG2-CZ 3.83Å; I222-A308 HydrophobicContact CG2-CB 4.44Å; I222-A311 HydrophobicContact CG2-CB 4.19Å; I222-E312 HydrophobicContact CD1-CB 3.82Å; I222-E312 HydrophobicContact CD1-CG 3.9Å; I222-F315 HydrophobicContact CD1-CD2 3.98Å; I222-F315 HydrophobicContact CD1-CE2 4.36Å; I222-F315 HydrophobicContact CG1-CD2 4.02Å; I222-F315 HydrophobicContact CG1-CE2 3.88Å
223M96.7Very high94.5Very high0 Ų021.7 Ų21.70%014%0.135CC..Hα-helixtrans-60.6-30.9177-75.3-171.2-76.200113.1Y219 I232 I235 A240 L244 F252 L255 L259Y219-M223 WeakPolarHBondContact O-CB 3.29Å; Y219-M223 WeakPolarHBondContact O-CE 3.43Å; Y219-M223 VanDerWaalsContact O-CG 3.28Å; Y219-M223 WeakPolarHBondContact O-CG 3.33Å; Y219-M223 PolarHBondContact O-N 3.27Å; M223-I232 HydrophobicContact CB-CD1 4.31Å; M223-I232 HydrophobicContact CG-CD1 3.84Å; M223-I232 PolarHBondContact O-N 3.24Å; M223-I235 HydrophobicContact CB-CG2 4.22Å; M223-A240 HydrophobicContact CB-CB 4.04Å; M223-A240 HydrophobicContact CE-CB 4.16Å; M223-L244 HydrophobicContact CE-CD1 3.83Å; M223-L244 HydrophobicContact CE-CD2 4.06Å; M223-L244 HydrophobicContact CE-CG 3.87Å; M223-F252 HydrophobicContact CG-CE2 4.09Å; M223-F252 HydrophobicContact CG-CZ 4.28Å; M223-L255 HydrophobicContact CE-CD2 4.28Å; M223-L259 HydrophobicContact SD-CD1 4.13Å
224A96.7Very high94.7Very high26 Ų2622 Ų2222%0.21515%0.151CC..Hα-helixtrans-85.1-16.5177.600000114.7M220 G221 I222 L237M220-A224 WeakPolarHBondContact O-CB 3.48Å; M220-A224 PolarHBondContact O-N 2.66Å; G221-A224 CarbonylContact O-C 3.53Å; G221-A224 PolarHBondContact O-N 3.42Å; I222-A224 PolarHBondContact O-N 2.6Å; A224-L237 HydrophobicContact CB-CD2 3.68Å; A224-L237 HydrophobicContact CB-CG 3.89Å
225G95.4Very high94.9Very high13 Ų1320.2 Ų20.213%0.13414%0.143CC..  trans103.8122177.600000114.5I3 G221 I222 F229 G231I3-G225 WeakPolarHBondContact CG1-O 3.18Å; G221-G225 PolarHBondContact O-N 3.42Å; I222-G225 PolarHBondContact O-N 3.3Å; I222-G225 VanDerWaalsContact O-N 3.13Å; G225-F229 CarbonylContact C-O 3.57Å; G225-F229 WeakPolarHBondContact CA-O 3.32Å; G225-G231 VanDerWaalsContact CA-CA 3.42Å
226C95Very high95Very high13 Ų1319.8 Ų19.89%0.08815%0.145CC..BIsolated β-bridgetrans-124.5-174.1177.665.10000111I3 D173 Y228 F229 F315I3-C226 HydrophobicContact CD1-CB 4.14Å; I3-C226 HydrophobicContact CG1-CB 3.75Å; D173-C226 WeakPolarHBondContact OD2-CB 3.37Å; C226-Y228 VanDerWaalsContact C-N 3.31Å; C226-Y228 PolarHBondContact O-N 3.43Å; C226-F229 PolarHBondContact N-O 2.79Å; C226-F229 CarbonylContact O-C 3.53Å; C226-F229 PolarHBondContact O-N 2.96Å; C226-F315 HydrophobicContact CB-CE2 4.22Å; C226-F315 HydrophobicContact CB-CZ 4.16Å
227D93.2Very high95.1Very high21 Ų2119.9 Ų19.911%0.11215%0.146CC..THydrogen-bonded Turntrans-65.7-27-179.3-99.88.4000114.3K85 T88 R92K85-D227 HydrophobicContact CD-CB 4.32Å; K85-D227 WeakPolarHBondContact CE-OD2 3.35Å; K85-D227 HydrophobicContact CG-CB 4.4Å; K85-D227 IonicContact NZ-OD2 3.75Å; K85-D227 PolarHBondContact NZ-OD2 3Å; T88-D227 WeakPolarHBondContact CB-O 3.48Å; T88-D227 HydrophobicContact CG2-CB 4.45Å; T88-D227 PolarHBondContact OG1-O 2.72Å; R92-D227 IonicContact CZ-OD1 2.93Å; R92-D227 IonicContact CZ-OD2 3.54Å; R92-D227 VanDerWaalsContact CZ-OD2 3.29Å; R92-D227 IonicContact NH1-OD2 3.94Å; R92-D227 PolarHBondContact NH1-OD2 3.22Å; R92-D227 VanDerWaalsContact NH1-OD2 3.12Å; R92-D227 IonicContact NH2-OD1 3.9Å; R92-D227 PolarHBondContact NH2-OD1 2.85Å; R92-D227 IonicContact NH2-OD2 2.76Å; R92-D227 PolarHBondContact NH2-OD2 2.6Å
228Y94.8Very high95.2Very high14 Ų1425.1 Ų25.16%0.05518%0.175CC..THydrogen-bonded Turntrans-89.1-16.5179.1-45-51.9000114.5L82 K85 E150 F177 C226 T314 F315L82-Y228 HydrophobicContact CD2-CD1 4.19Å; L82-Y228 HydrophobicContact CD2-CE1 3.63Å; K85-Y228 HydrophobicContact CB-CD1 4.08Å; K85-Y228 HydrophobicContact CB-CE1 4.26Å; K85-Y228 HydrophobicContact CD-CE1 4.13Å; K85-Y228 HydrophobicContact CG-CD1 4.39Å; K85-Y228 HydrophobicContact CG-CE1 4.46Å; E150-Y228 VanDerWaalsContact OE2-CE1 3.28Å; E150-Y228 WeakPolarHBondContact OE2-CE1 3.24Å; E150-Y228 PolarHBondContact OE2-OH 3.26Å; F177-Y228 HydrophobicContact CZ-CE2 4.37Å; F177-Y228 WeakPolarHBondContact CZ-OH 3.37Å; C226-Y228 VanDerWaalsContact C-N 3.31Å; C226-Y228 PolarHBondContact O-N 3.43Å; Y228-T314 HydrophobicContact CD1-CG2 3.95Å; Y228-T314 HydrophobicContact CD2-CG2 3.76Å; Y228-T314 HydrophobicContact CE1-CG2 3.81Å; Y228-T314 HydrophobicContact CE2-CG2 3.62Å; Y228-T314 HydrophobicContact CG-CG2 3.94Å; Y228-F315 HydrophobicContact CD2-CD2 4.04Å; Y228-F315 AromaticContact CD2-CE2 3.76Å; Y228-F315 HydrophobicContact CD2-CE2 3.76Å; Y228-F315 HydrophobicContact CD2-CZ 4Å; Y228-F315 HydrophobicContact CE2-CD1 4.07Å; Y228-F315 HydrophobicContact CE2-CD2 4.11Å; Y228-F315 AromaticContact CE2-CE1 3.84Å; Y228-F315 HydrophobicContact CE2-CE1 3.84Å; Y228-F315 AromaticContact CE2-CE2 3.91Å; Y228-F315 HydrophobicContact CE2-CE2 3.91Å; Y228-F315 HydrophobicContact CE2-CG 4.18Å; Y228-F315 AromaticContact CE2-CZ 3.76Å; Y228-F315 HydrophobicContact CE2-CZ 3.76Å
229F94.7Very high95.2Very high9 Ų926.9 Ų26.94%0.03919%0.186CC..BIsolated β-bridgetrans-156.3124.4-174.4171.6-108.3000110.5I222 G225 C226 G231 I232 L304 T307 A308 A311I222-F229 HydrophobicContact CG2-CD1 3.79Å; I222-F229 HydrophobicContact CG2-CE1 4.38Å; I222-F229 VanDerWaalsContact O-CD1 3.26Å; I222-F229 WeakPolarHBondContact O-CD1 3.34Å; I222-F229 WeakPolarHBondContact O-CE1 3.33Å; G225-F229 CarbonylContact C-O 3.57Å; G225-F229 WeakPolarHBondContact CA-O 3.32Å; C226-F229 PolarHBondContact N-O 2.79Å; C226-F229 CarbonylContact O-C 3.53Å; C226-F229 PolarHBondContact O-N 2.96Å; F229-G231 VanDerWaalsContact CE1-C 3.49Å; F229-G231 VanDerWaalsContact CE1-CA 3.47Å; F229-G231 PolarHBondContact O-N 3.37Å; F229-I232 HydrophobicContact CE1-CG1 3.98Å; F229-I232 HydrophobicContact CZ-CG1 4.02Å; F229-L304 HydrophobicContact CE2-CD1 3.59Å; F229-L304 HydrophobicContact CE2-CG 4.03Å; F229-L304 WeakPolarHBondContact CE2-O 3.01Å; F229-L304 HydrophobicContact CZ-CD1 3.81Å; F229-L304 HydrophobicContact CZ-CG 3.97Å; F229-T307 HydrophobicContact CD2-CG2 3.76Å; F229-A308 HydrophobicContact CD1-CB 4.3Å; F229-A308 HydrophobicContact CD2-CB 4.42Å; F229-A308 HydrophobicContact CE1-CB 3.95Å; F229-A308 HydrophobicContact CE2-CB 4.07Å; F229-A308 HydrophobicContact CZ-CB 3.83Å; F229-A311 HydrophobicContact CB-CB 3.68Å
230S93.2Very high95.2Very high99 Ų9926 Ų2669%0.69218%0.183SC*.  trans-65.7-4.3-170.170.10000116.5
231G94.8Very high95.1Very high6 Ų626 Ų266%0.06218%0.183CC..  trans95164.2-177.900000112.4G225 F229 P233G225-G231 VanDerWaalsContact CA-CA 3.42Å; F229-G231 VanDerWaalsContact CE1-C 3.49Å; F229-G231 VanDerWaalsContact CE1-CA 3.47Å; F229-G231 PolarHBondContact O-N 3.37Å; G231-P233 WeakPolarHBondContact O-CD 3.41Å
232I95.2Very high95Very high2 Ų231.1 Ų31.11%0.0121%0.205CC..  trans-84.5120.9179.2-57.6178.7000108.5M223 F229 G234 I235 L256 L259 A269 I300 L304M223-I232 HydrophobicContact CB-CD1 4.31Å; M223-I232 HydrophobicContact CG-CD1 3.84Å; M223-I232 PolarHBondContact O-N 3.24Å; F229-I232 HydrophobicContact CE1-CG1 3.98Å; F229-I232 HydrophobicContact CZ-CG1 4.02Å; I232-G234 PolarHBondContact O-N 3.09Å; I232-I235 HydrophobicContact CB-CB 4.21Å; I232-I235 HydrophobicContact CB-CD1 4.02Å; I232-I235 HydrophobicContact CB-CG1 4.26Å; I232-I235 HydrophobicContact CD1-CD1 4.39Å; I232-I235 HydrophobicContact CG2-CD1 3.81Å; I232-I235 HydrophobicContact CG2-CG1 4.19Å; I232-I235 PolarHBondContact O-N 2.76Å; I232-L256 HydrophobicContact CD1-CD2 3.53Å; I232-L259 HydrophobicContact CD1-CD2 3.49Å; I232-L259 VanDerWaalsContact CD1-CD2 3.49Å; I232-L259 HydrophobicContact CG2-CD2 4.2Å; I232-A269 HydrophobicContact CG2-CB 4.03Å; I232-I300 HydrophobicContact CD1-CD1 4.12Å; I232-L304 HydrophobicContact CG2-CD2 4.29Å
233P93.9Very high94.9Very high44 Ų4431.2 Ų31.229%0.28621%0.205SC..THydrogen-bonded Turntrans-54.5111.5-173.8-30.737.2000114G231 S266 N268 A269G231-P233 WeakPolarHBondContact O-CD 3.41Å; P233-S266 WeakPolarHBondContact CB-OG 3.28Å; P233-S266 WeakPolarHBondContact O-CB 3.24Å; P233-S266 PolarHBondContact O-OG 3.21Å; P233-N268 HydrophobicContact CB-CB 3.98Å; P233-N268 HydrophobicContact CG-CB 4.27Å; P233-A269 HydrophobicContact CB-CB 4.37Å; P233-A269 HydrophobicContact CG-CB 4.44Å
234G92.3Very high94.7Very high72 Ų7231.3 Ų31.374%0.74221%0.206SC*.THydrogen-bonded Turntrans102-5.3-177.400000115.3I232I232-G234 PolarHBondContact O-N 3.09Å
235I95.1Very high94.5Very high14 Ų1435.4 Ų35.47%0.07222%0.216CC..  trans-106.5121.5176.1-56.6-174.7000109M223 I232 T239 A240 I243 L259 T263M223-I235 HydrophobicContact CB-CG2 4.22Å; I232-I235 HydrophobicContact CB-CB 4.21Å; I232-I235 HydrophobicContact CB-CD1 4.02Å; I232-I235 HydrophobicContact CB-CG1 4.26Å; I232-I235 HydrophobicContact CD1-CD1 4.39Å; I232-I235 HydrophobicContact CG2-CD1 3.81Å; I232-I235 HydrophobicContact CG2-CG1 4.19Å; I232-I235 PolarHBondContact O-N 2.76Å; I235-T239 HydrophobicContact CB-CG2 4.45Å; I235-T239 HydrophobicContact CG1-CG2 4.24Å; I235-T239 HydrophobicContact CG2-CG2 4.11Å; I235-A240 HydrophobicContact CG2-CB 3.97Å; I235-I243 HydrophobicContact CD1-CD1 4.03Å; I235-L259 HydrophobicContact CD1-CD1 4.27Å; I235-L259 HydrophobicContact CD1-CD2 3.78Å; I235-L259 HydrophobicContact CD1-CG 4.19Å; I235-T263 HydrophobicContact CD1-CG2 3.98Å
236G95.2Very high94.4Very high31 Ų3139.6 Ų39.632%0.3223%0.232SC..  trans-117.9-179.3166.200000110.7N238 T239 A240G236-N238 VanDerWaalsContact C-N 3.3Å; G236-N238 PolarHBondContact O-N 3.26Å; G236-N238 VanDerWaalsContact O-N 3.12Å; G236-T239 WeakPolarHBondContact O-CA 3.42Å; G236-T239 WeakPolarHBondContact O-CB 3.43Å; G236-T239 PolarHBondContact O-N 2.93Å; G236-A240 PolarHBondContact O-N 3.34Å
237L95.9Very high94.2Very high17 Ų1739 Ų399%0.08923%0.228CC..Hα-helixtrans-46.7-47.1-174.4-66.3170000113.8I3 L6 F9 M220 A224 T239 A240 A241I3-L237 HydrophobicContact CG2-CD1 4.43Å; I3-L237 HydrophobicContact CG2-CD2 4.05Å; L6-L237 HydrophobicContact CB-CD1 4.24Å; L6-L237 HydrophobicContact CD1-CD1 4.25Å; L6-L237 HydrophobicContact CD1-CD2 4.1Å; F9-L237 HydrophobicContact CB-CD1 4.05Å; F9-L237 HydrophobicContact CD2-CB 4.12Å; F9-L237 HydrophobicContact CE2-CB 4.4Å; F9-L237 HydrophobicContact CG-CB 4.4Å; F9-L237 HydrophobicContact CG-CD1 4.37Å; M220-L237 HydrophobicContact CE-CD2 4.2Å; M220-L237 HydrophobicContact CG-CD2 4.41Å; A224-L237 HydrophobicContact CB-CD2 3.68Å; A224-L237 HydrophobicContact CB-CG 3.89Å; L237-T239 PolarHBondContact O-N 2.96Å; L237-A240 PolarHBondContact O-N 3.13Å; L237-A241 VanDerWaalsContact O-CB 3.28Å; L237-A241 WeakPolarHBondContact O-CB 3.2Å; L237-A241 PolarHBondContact O-N 3.21Å
238N95.2Very high94Very high119 Ų11948.6 Ų48.664%0.63626%0.262SS*.Hα-helixtrans-61.8-39.5178.4-67.6-27.3000113.5F9 G236 K242F9-N238 WeakPolarHBondContact CD2-OD1 3.41Å; F9-N238 WeakPolarHBondContact CE2-OD1 3.4Å; G236-N238 VanDerWaalsContact C-N 3.3Å; G236-N238 PolarHBondContact O-N 3.26Å; G236-N238 VanDerWaalsContact O-N 3.12Å; N238-K242 WeakPolarHBondContact O-CB 3.37Å; N238-K242 PolarHBondContact O-N 2.94Å; N238-K242 VanDerWaalsContact O-N 3.12Å
239T95.5Very high93.9Very high45 Ų4548.8 Ų48.828%0.27626%0.264SS..Hα-helixtrans-73.1-43.6178-50.80000110.5I235 G236 L237 K242 I243I235-T239 HydrophobicContact CB-CG2 4.45Å; I235-T239 HydrophobicContact CG1-CG2 4.24Å; I235-T239 HydrophobicContact CG2-CG2 4.11Å; G236-T239 WeakPolarHBondContact O-CA 3.42Å; G236-T239 WeakPolarHBondContact O-CB 3.43Å; G236-T239 PolarHBondContact O-N 2.93Å; L237-T239 PolarHBondContact O-N 2.96Å; T239-K242 WeakPolarHBondContact O-CB 3.26Å; T239-K242 PolarHBondContact O-N 3.46Å; T239-I243 HydrophobicContact CG2-CD1 4.13Å; T239-I243 WeakPolarHBondContact O-CD1 3.32Å; T239-I243 VanDerWaalsContact O-CG1 3.3Å; T239-I243 WeakPolarHBondContact O-CG1 3.48Å; T239-I243 PolarHBondContact O-N 2.73Å
240A96.1Very high93.6Very high0 Ų053.8 Ų53.80%030%0.296CS..Hα-helixtrans-60.6-46.6175.500000111.7M220 M223 I235 G236 L237 K242 I243 L244M220-A240 HydrophobicContact CB-CB 4.48Å; M220-A240 HydrophobicContact CG-CB 3.75Å; M223-A240 HydrophobicContact CB-CB 4.04Å; M223-A240 HydrophobicContact CE-CB 4.16Å; I235-A240 HydrophobicContact CG2-CB 3.97Å; G236-A240 PolarHBondContact O-N 3.34Å; L237-A240 PolarHBondContact O-N 3.13Å; A240-K242 VanDerWaalsContact C-N 3.33Å; A240-K242 PolarHBondContact O-N 3.35Å; A240-I243 PolarHBondContact O-N 3.15Å; A240-L244 WeakPolarHBondContact O-CD1 3.39Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.35Å; A240-L244 PolarHBondContact O-N 2.79Å
241A94.6Very high93.6Very high0 Ų052.4 Ų52.40%028%0.28CS..Hα-helixtrans-59.2-41.317400000112.2F9 M220 L237 I243 L244 R245F9-A241 HydrophobicContact CE2-CB 4.5Å; F9-A241 HydrophobicContact CZ-CB 3.99Å; M220-A241 HydrophobicContact SD-CB 3.76Å; L237-A241 VanDerWaalsContact O-CB 3.28Å; L237-A241 WeakPolarHBondContact O-CB 3.2Å; L237-A241 PolarHBondContact O-N 3.21Å; A241-I243 PolarHBondContact O-N 3.01Å; A241-L244 PolarHBondContact O-N 3.41Å; A241-R245 WeakPolarHBondContact O-CG 3.46Å; A241-R245 PolarHBondContact O-N 3.15Å
242K94.7Very high93.6Very high109 Ų10952.5 Ų52.547%0.47428%0.279SS..Hα-helixtrans-59.3-46.3175.3-176.8-173.3172.4-172.10111.8N238 T239 A240 L244 R245 Q246N238-K242 WeakPolarHBondContact O-CB 3.37Å; N238-K242 PolarHBondContact O-N 2.94Å; N238-K242 VanDerWaalsContact O-N 3.12Å; T239-K242 WeakPolarHBondContact O-CB 3.26Å; T239-K242 PolarHBondContact O-N 3.46Å; A240-K242 VanDerWaalsContact C-N 3.33Å; A240-K242 PolarHBondContact O-N 3.35Å; K242-L244 VanDerWaalsContact C-N 3.34Å; K242-L244 PolarHBondContact O-N 2.78Å; K242-R245 PolarHBondContact O-N 3.04Å; K242-Q246 WeakPolarHBondContact O-CG 2.93Å; K242-Q246 PolarHBondContact O-N 3.21Å; K242-Q246 PolarHBondContact O-OE1 2.96Å
243I94.7Very high93.6Very high1 Ų156.1 Ų56.11%0.00529%0.293CS..Hα-helixtrans-62.3-43178.1-65.4159.6000110.5I235 T239 A240 A241 R245 Q246 T247 L255 L259 Y262 T263I235-I243 HydrophobicContact CD1-CD1 4.03Å; T239-I243 HydrophobicContact CG2-CD1 4.13Å; T239-I243 WeakPolarHBondContact O-CD1 3.32Å; T239-I243 VanDerWaalsContact O-CG1 3.3Å; T239-I243 WeakPolarHBondContact O-CG1 3.48Å; T239-I243 PolarHBondContact O-N 2.73Å; A240-I243 PolarHBondContact O-N 3.15Å; A241-I243 PolarHBondContact O-N 3.01Å; I243-R245 VanDerWaalsContact C-N 3.31Å; I243-R245 PolarHBondContact O-N 3.09Å; I243-Q246 PolarHBondContact O-N 3.32Å; I243-T247 PolarHBondContact O-N 3.36Å; I243-L255 HydrophobicContact CG2-CD1 4.19Å; I243-L259 HydrophobicContact CD1-CD1 3.9Å; I243-L259 HydrophobicContact CG2-CD1 4.09Å; I243-Y262 HydrophobicContact CG2-CD2 4.15Å; I243-Y262 HydrophobicContact CG2-CG 4.04Å; I243-T263 HydrophobicContact CD1-CG2 3.87Å
244L93.5Very high93.6Very high2 Ų257.4 Ų57.41%0.0130%0.295CS..Hα-helixtrans-71.5-20.2-178.9-68.5163.8000114.7I207 K216 Y219 M220 M223 A240 A241 K242 T247 L255I207-L244 HydrophobicContact CD1-CB 3.85Å; K216-L244 HydrophobicContact CB-CD2 4.29Å; K216-L244 HydrophobicContact CG-CD2 4.14Å; K216-L244 PolarHBondContact NZ-O 2.84Å; K216-L244 VanDerWaalsContact O-CD1 3.22Å; K216-L244 WeakPolarHBondContact O-CD1 3.39Å; Y219-L244 HydrophobicContact CD2-CD2 4.49Å; M220-L244 HydrophobicContact CB-CD1 3.47Å; M220-L244 VanDerWaalsContact CB-CD1 3.47Å; M220-L244 HydrophobicContact CG-CD1 4.01Å; M223-L244 HydrophobicContact CE-CD1 3.83Å; M223-L244 HydrophobicContact CE-CD2 4.06Å; M223-L244 HydrophobicContact CE-CG 3.87Å; A240-L244 WeakPolarHBondContact O-CD1 3.39Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.35Å; A240-L244 PolarHBondContact O-N 2.79Å; A241-L244 PolarHBondContact O-N 3.41Å; K242-L244 VanDerWaalsContact C-N 3.34Å; K242-L244 PolarHBondContact O-N 2.78Å; L244-T247 HydrophobicContact CD2-CG2 4.39Å; L244-L255 HydrophobicContact CD2-CD2 3.86Å
245R92.6Very high93.7Very high112 Ų11254 Ų5442%0.42326%0.26SS..Hα-helixtrans-76.2-30.6165.8-71.5-173.4-61.1-96.911.9113C205 G206 I207 A241 K242 I243C205-R245 WeakPolarHBondContact O-CD 3.35Å; C205-R245 WeakPolarHBondContact O-CG 3.47Å; C205-R245 PolarHBondContact O-NH1 3.35Å; G206-R245 WeakPolarHBondContact O-CD 3.34Å; G206-R245 WeakPolarHBondContact O-CG 3.26Å; I207-R245 HydrophobicContact CG1-CG 3.62Å; A241-R245 WeakPolarHBondContact O-CG 3.46Å; A241-R245 PolarHBondContact O-N 3.15Å; K242-R245 PolarHBondContact O-N 3.04Å; I243-R245 VanDerWaalsContact C-N 3.31Å; I243-R245 PolarHBondContact O-N 3.09Å
246Q91.6Very high93.6Very high101 Ų10153.3 Ų53.347%0.47226%0.256SS..Hα-helixtrans-86.7-26.1-178.2-68.3175.1-62.300113.1K242 I243 Y262K242-Q246 WeakPolarHBondContact O-CG 2.93Å; K242-Q246 PolarHBondContact O-N 3.21Å; K242-Q246 PolarHBondContact O-OE1 2.96Å; I243-Q246 PolarHBondContact O-N 3.32Å; Q246-Y262 HydrophobicContact CB-CD1 3.75Å; Q246-Y262 HydrophobicContact CB-CE1 4.03Å
247T91.5Very high93.5Very high1 Ų154.6 Ų54.61%0.00626%0.255CS..  trans-94.7144.4-175.8-1620000114.5K216 I243 L244 I249 L255 Y262K216-T247 PolarHBondContact NZ-O 2.94Å; I243-T247 PolarHBondContact O-N 3.36Å; L244-T247 HydrophobicContact CD2-CG2 4.39Å; T247-I249 WeakPolarHBondContact OG1-CB 3.43Å; T247-I249 WeakPolarHBondContact OG1-CD1 3.45Å; T247-I249 WeakPolarHBondContact OG1-CG1 3.41Å; T247-I249 PolarHBondContact OG1-N 3.46Å; T247-I249 VanDerWaalsContact OG1-N 3.08Å; T247-L255 HydrophobicContact CG2-CD1 3.77Å; T247-L255 HydrophobicContact CG2-CD2 4.38Å; T247-Y262 PolarHBondContact OG1-OH 3.39Å; T247-Y262 VanDerWaalsContact OG1-OH 3.05Å
248R90Very high93.3Very high222 Ų22257.7 Ų57.784%0.83827%0.268SS*.  trans-103.3-1.1165.3-64.3-175.7-179.8177.10.6112.7T250R248-T250 PolarHBondContact O-N 3.07Å
249I91.2Very high93.2Very high19 Ų1952 Ų5210%0.09724%0.238CC..  trans-65.5132.6179.1-60165.1000109.1T247 N251 E254 L255 K258 Y262T247-I249 WeakPolarHBondContact OG1-CB 3.43Å; T247-I249 WeakPolarHBondContact OG1-CD1 3.45Å; T247-I249 WeakPolarHBondContact OG1-CG1 3.41Å; T247-I249 PolarHBondContact OG1-N 3.46Å; T247-I249 VanDerWaalsContact OG1-N 3.08Å; I249-N251 VanDerWaalsContact CG2-O 3.27Å; I249-N251 WeakPolarHBondContact CG2-O 3.25Å; I249-E254 HydrophobicContact CG2-CB 3.82Å; I249-E254 HydrophobicContact CG2-CG 4.02Å; I249-E254 WeakPolarHBondContact CG2-OE2 3.39Å; I249-L255 HydrophobicContact CB-CB 4.42Å; I249-L255 HydrophobicContact CD1-CD1 4.25Å; I249-L255 HydrophobicContact CG2-CB 3.98Å; I249-K258 HydrophobicContact CD1-CB 3.98Å; I249-K258 HydrophobicContact CD1-CD 3.69Å; I249-K258 HydrophobicContact CD1-CG 4.41Å; I249-Y262 HydrophobicContact CD1-CE2 4.27Å
250T89.9Confident92.8Very high114 Ų11451.3 Ų51.370%0.69924%0.239SC*.  trans-104.5-27.4179.649.30000113.3Y219 R248Y219-T250 WeakPolarHBondContact CE2-O 3.31Å; Y219-T250 PolarHBondContact OH-O 3.47Å; R248-T250 PolarHBondContact O-N 3.07Å
251N92.3Very high92.5Very high69 Ų6959.4 Ų59.437%0.36928%0.275SS..  trans-81132.6175.1176.3-68.6000110.5I249 R253 E254 L255I249-N251 VanDerWaalsContact CG2-O 3.27Å; I249-N251 WeakPolarHBondContact CG2-O 3.25Å; N251-R253 WeakPolarHBondContact OD1-CA 3.23Å; N251-R253 WeakPolarHBondContact OD1-CB 3.36Å; N251-R253 PolarHBondContact OD1-N 3.35Å; N251-E254 HydrophobicContact CB-CB 4.08Å; N251-E254 PolarHBondContact OD1-N 3.49Å; N251-L255 PolarHBondContact O-N 2.87Å; N251-L255 VanDerWaalsContact O-N 3.14Å
252F94.9Very high92.3Very high8 Ų862.1 Ų62.14%0.03529%0.286CS..Hα-helixtrans-70.7-41.1-175.8-167.9-137.4000113.2Y219 I222 M223 E254 L255 L256 A308 E312Y219-F252 HydrophobicContact CD1-CB 4.03Å; Y219-F252 HydrophobicContact CD1-CD1 4.34Å; Y219-F252 AromaticContact CD1-CD2 3.51Å; Y219-F252 HydrophobicContact CD1-CD2 3.51Å; Y219-F252 HydrophobicContact CD1-CE2 4.01Å; Y219-F252 AromaticContact CD1-CG 3.71Å; Y219-F252 HydrophobicContact CD1-CG 3.71Å; Y219-F252 AromaticContact CD2-CD2 3.83Å; Y219-F252 HydrophobicContact CD2-CD2 3.83Å; Y219-F252 HydrophobicContact CE1-CB 3.68Å; Y219-F252 HydrophobicContact CE1-CD2 4.07Å; Y219-F252 AromaticContact CE1-CG 3.89Å; Y219-F252 HydrophobicContact CE1-CG 3.89Å; Y219-F252 HydrophobicContact CE2-CB 4.18Å; Y219-F252 HydrophobicContact CE2-CD2 4.33Å; Y219-F252 HydrophobicContact CG-CB 4.48Å; Y219-F252 AromaticContact CG-CD2 3.41Å; Y219-F252 HydrophobicContact CG-CD2 3.41Å; Y219-F252 VanDerWaalsContact CG-CD2 3.41Å; Y219-F252 AromaticContact CG-CE2 3.82Å; Y219-F252 HydrophobicContact CG-CE2 3.82Å; Y219-F252 HydrophobicContact CG-CG 4.08Å; I222-F252 HydrophobicContact CB-CZ 4.18Å; I222-F252 HydrophobicContact CD1-CE1 4.42Å; I222-F252 HydrophobicContact CG2-CE1 3.94Å; I222-F252 HydrophobicContact CG2-CZ 3.83Å; M223-F252 HydrophobicContact CG-CE2 4.09Å; M223-F252 HydrophobicContact CG-CZ 4.28Å; F252-E254 PolarHBondContact O-N 3.31Å; F252-L255 WeakPolarHBondContact O-CB 3.27Å; F252-L255 PolarHBondContact O-N 2.99Å; F252-L256 HydrophobicContact CD1-CD1 4.03Å; F252-L256 HydrophobicContact CD2-CG 4.36Å; F252-L256 HydrophobicContact CE1-CD1 3.86Å; F252-L256 HydrophobicContact CE2-CD1 4.38Å; F252-L256 HydrophobicContact CE2-CD2 4.11Å; F252-L256 HydrophobicContact CE2-CG 4.16Å; F252-L256 HydrophobicContact CG-CD1 4.38Å; F252-L256 HydrophobicContact CZ-CD1 4.04Å; F252-L256 HydrophobicContact CZ-CD2 4.1Å; F252-L256 HydrophobicContact CZ-CG 4.25Å; F252-L256 WeakPolarHBondContact O-CG 3.49Å; F252-L256 PolarHBondContact O-N 3.4Å; F252-A308 HydrophobicContact CE1-CB 4.11Å; F252-A308 WeakPolarHBondContact CE1-O 3.36Å; F252-A308 HydrophobicContact CZ-CB 4.47Å; F252-E312 HydrophobicContact CB-CG 4.44Å; F252-E312 HydrophobicContact CD1-CB 3.71Å; F252-E312 HydrophobicContact CD1-CG 3.82Å; F252-E312 HydrophobicContact CE1-CB 4.08Å; F252-E312 HydrophobicContact CE1-CG 4.37Å; F252-E312 HydrophobicContact CG-CG 4.29Å
253R94.4Very high92.1Very high78 Ų7858.7 Ų58.729%0.29427%0.274SS..Hα-helixtrans-62.7-42.6178.3-165.9172.9-175.3-108.6-9.5111.3N251 L255 L256 L257 E302 L305 V309 E341N251-R253 WeakPolarHBondContact OD1-CA 3.23Å; N251-R253 WeakPolarHBondContact OD1-CB 3.36Å; N251-R253 PolarHBondContact OD1-N 3.35Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 3.16Å; R253-L256 PolarHBondContact O-N 3.31Å; R253-L257 HydrophobicContact CG-CD1 4.43Å; R253-L257 WeakPolarHBondContact O-CG 3.21Å; R253-L257 PolarHBondContact O-N 3.49Å; R253-E302 IonicContact CZ-OE1 3.42Å; R253-E302 IonicContact NE-OE1 3.9Å; R253-E302 IonicContact NH2-OE1 3.18Å; R253-E302 PolarHBondContact NH2-OE1 3.38Å; R253-L305 HydrophobicContact CG-CD1 4.35Å; R253-L305 HydrophobicContact CG-CD2 3.88Å; R253-L305 HydrophobicContact CG-CG 4.38Å; R253-V309 HydrophobicContact CB-CG2 3.98Å; R253-V309 HydrophobicContact CG-CG2 4.13Å; R253-E341 WeakPolarHBondContact CD-OE1 3.3Å
254E93.5Very high91.7Very high72 Ų7268 Ų6834%0.33631%0.314SS..Hα-helixtrans-61.4-40.6173.9-166.8-161.8163.700112I249 N251 F252 L257 K258I249-E254 HydrophobicContact CG2-CB 3.82Å; I249-E254 HydrophobicContact CG2-CG 4.02Å; I249-E254 WeakPolarHBondContact CG2-OE2 3.39Å; N251-E254 HydrophobicContact CB-CB 4.08Å; N251-E254 PolarHBondContact OD1-N 3.49Å; F252-E254 PolarHBondContact O-N 3.31Å; E254-L257 PolarHBondContact O-N 2.9Å; E254-K258 HydrophobicContact CG-CD 4.1Å; E254-K258 WeakPolarHBondContact O-CB 3.29Å; E254-K258 WeakPolarHBondContact O-CG 3.43Å; E254-K258 PolarHBondContact O-N 3.41Å; E254-K258 IonicContact OE1-NZ 2.65Å; E254-K258 PolarHBondContact OE1-NZ 3.03Å
255L94.6Very high91.4Very high0 Ų068.7 Ų68.70%032%0.318CS..Hα-helixtrans-64.9-40.3176.9178.659.9000112Y219 M223 I243 L244 T247 I249 N251 F252 R253 K258 L259 Y262Y219-L255 HydrophobicContact CD2-CD2 4.29Å; M223-L255 HydrophobicContact CE-CD2 4.28Å; I243-L255 HydrophobicContact CG2-CD1 4.19Å; L244-L255 HydrophobicContact CD2-CD2 3.86Å; T247-L255 HydrophobicContact CG2-CD1 3.77Å; T247-L255 HydrophobicContact CG2-CD2 4.38Å; I249-L255 HydrophobicContact CB-CB 4.42Å; I249-L255 HydrophobicContact CD1-CD1 4.25Å; I249-L255 HydrophobicContact CG2-CB 3.98Å; N251-L255 PolarHBondContact O-N 2.87Å; N251-L255 VanDerWaalsContact O-N 3.14Å; F252-L255 WeakPolarHBondContact O-CB 3.27Å; F252-L255 PolarHBondContact O-N 2.99Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 3.16Å; L255-K258 CarbonylContact O-C 3.51Å; L255-K258 PolarHBondContact O-N 3.25Å; L255-L259 PolarHBondContact O-N 2.87Å; L255-Y262 HydrophobicContact CD1-CD2 4.49Å; L255-Y262 HydrophobicContact CD1-CE2 4.15Å
256L94.5Very high91Very high0 Ų065.2 Ų65.20%031%0.31CS..Hα-helixtrans-66.8-44176.5-67.2172.2000111.9I232 F252 R253 K258 L259 I300 L305 A308 V309I232-L256 HydrophobicContact CD1-CD2 3.53Å; F252-L256 HydrophobicContact CD1-CD1 4.03Å; F252-L256 HydrophobicContact CD2-CG 4.36Å; F252-L256 HydrophobicContact CE1-CD1 3.86Å; F252-L256 HydrophobicContact CE2-CD1 4.38Å; F252-L256 HydrophobicContact CE2-CD2 4.11Å; F252-L256 HydrophobicContact CE2-CG 4.16Å; F252-L256 HydrophobicContact CG-CD1 4.38Å; F252-L256 HydrophobicContact CZ-CD1 4.04Å; F252-L256 HydrophobicContact CZ-CD2 4.1Å; F252-L256 HydrophobicContact CZ-CG 4.25Å; F252-L256 WeakPolarHBondContact O-CG 3.49Å; F252-L256 PolarHBondContact O-N 3.4Å; R253-L256 PolarHBondContact O-N 3.31Å; L256-K258 PolarHBondContact O-N 2.86Å; L256-L259 HydrophobicContact CD2-CD2 4.44Å; L256-L259 WeakPolarHBondContact O-CB 3.37Å; L256-L259 PolarHBondContact O-N 3.06Å; L256-I300 HydrophobicContact CB-CG2 4.48Å; L256-I300 HydrophobicContact CD2-CD1 4.24Å; L256-I300 WeakPolarHBondContact O-CG2 3.43Å; L256-L305 HydrophobicContact CB-CD1 4.41Å; L256-L305 HydrophobicContact CB-CG 4.29Å; L256-L305 HydrophobicContact CD1-CG 4.31Å; L256-A308 HydrophobicContact CD1-CB 3.75Å; L256-V309 HydrophobicContact CD1-CG2 4.17Å
257L92.8Very high90.6Very high58 Ų5867 Ų6730%0.30432%0.323SS..Hα-helixtrans-61.2-32174.5-71.8169.4000112.7R253 E254 L305R253-L257 HydrophobicContact CG-CD1 4.43Å; R253-L257 WeakPolarHBondContact O-CG 3.21Å; R253-L257 PolarHBondContact O-N 3.49Å; E254-L257 PolarHBondContact O-N 2.9Å; L257-L305 HydrophobicContact CD2-CD1 3.51Å; L257-L305 HydrophobicContact CG-CD1 3.74Å
258K91.9Very high90.2Very high82 Ų8273.5 Ų73.536%0.35736%0.358SS..THydrogen-bonded Turntrans-96.78.3-179.6-67.7179.1-178.2175.80113.7I249 E254 L255 L256 G260 F261 Y262I249-K258 HydrophobicContact CD1-CB 3.98Å; I249-K258 HydrophobicContact CD1-CD 3.69Å; I249-K258 HydrophobicContact CD1-CG 4.41Å; E254-K258 HydrophobicContact CG-CD 4.1Å; E254-K258 WeakPolarHBondContact O-CB 3.29Å; E254-K258 WeakPolarHBondContact O-CG 3.43Å; E254-K258 PolarHBondContact O-N 3.41Å; E254-K258 IonicContact OE1-NZ 2.65Å; E254-K258 PolarHBondContact OE1-NZ 3.03Å; L255-K258 CarbonylContact O-C 3.51Å; L255-K258 PolarHBondContact O-N 3.25Å; L256-K258 PolarHBondContact O-N 2.86Å; K258-G260 VanDerWaalsContact C-N 3.3Å; K258-G260 PolarHBondContact O-N 3.27Å; K258-F261 HydrophobicContact CB-CD2 3.89Å; K258-F261 HydrophobicContact CB-CE2 4.36Å; K258-F261 HydrophobicContact CG-CD2 4.21Å; K258-F261 HydrophobicContact CG-CE2 4.21Å; K258-F261 WeakPolarHBondContact O-CB 3.47Å; K258-F261 WeakPolarHBondContact O-CD2 3.34Å; K258-F261 PolarHBondContact O-N 3.11Å; K258-F261 VanDerWaalsContact O-N 3.1Å; K258-Y262 HydrophobicContact CB-CE2 4.43Å; K258-Y262 WeakPolarHBondContact O-CD2 3.41Å
259L91.9Very high89.7Confident0 Ų062.9 Ų62.90%032%0.318CS..G310 helixtrans-62.5-34.7-172-164.362.3000113.4M223 I232 I235 I243 L255 L256 F261 Y262 T263 L265 I300M223-L259 HydrophobicContact SD-CD1 4.13Å; I232-L259 HydrophobicContact CD1-CD2 3.49Å; I232-L259 VanDerWaalsContact CD1-CD2 3.49Å; I232-L259 HydrophobicContact CG2-CD2 4.2Å; I235-L259 HydrophobicContact CD1-CD1 4.27Å; I235-L259 HydrophobicContact CD1-CD2 3.78Å; I235-L259 HydrophobicContact CD1-CG 4.19Å; I243-L259 HydrophobicContact CD1-CD1 3.9Å; I243-L259 HydrophobicContact CG2-CD1 4.09Å; L255-L259 PolarHBondContact O-N 2.87Å; L256-L259 HydrophobicContact CD2-CD2 4.44Å; L256-L259 WeakPolarHBondContact O-CB 3.37Å; L256-L259 PolarHBondContact O-N 3.06Å; L259-F261 PolarHBondContact O-N 2.87Å; L259-Y262 PolarHBondContact O-N 2.96Å; L259-T263 HydrophobicContact CG-CG2 4.46Å; L259-T263 PolarHBondContact O-N 3.43Å; L259-L265 HydrophobicContact CB-CD2 4.45Å; L259-L265 HydrophobicContact CD2-CD2 3.82Å; L259-L265 HydrophobicContact CG-CD2 3.96Å; L259-I300 HydrophobicContact CD2-CD1 4.5Å
260G88.3Confident89.3Confident30 Ų3064 Ų6431%0.30932%0.324SS..G310 helixtrans-62.7-17.8176.500000115.1K258K258-G260 VanDerWaalsContact C-N 3.3Å; K258-G260 PolarHBondContact O-N 3.27Å
261F89.2Confident88.6Confident169 Ų16960.2 Ų60.274%0.74130%0.304SS*.G310 helixtrans-78.7-19.8173.1-61.7-68.6000113.2K258 L259K258-F261 HydrophobicContact CB-CD2 3.89Å; K258-F261 HydrophobicContact CB-CE2 4.36Å; K258-F261 HydrophobicContact CG-CD2 4.21Å; K258-F261 HydrophobicContact CG-CE2 4.21Å; K258-F261 WeakPolarHBondContact O-CB 3.47Å; K258-F261 WeakPolarHBondContact O-CD2 3.34Å; K258-F261 PolarHBondContact O-N 3.11Å; K258-F261 VanDerWaalsContact O-N 3.1Å; L259-F261 PolarHBondContact O-N 2.87Å
262Y90.4Very high87.6Confident58 Ų5865 Ų6523%0.22732%0.321CS..THydrogen-bonded Turntrans-104.2-28.4-176.7-58.2-76.1000113.4I243 Q246 T247 I249 L255 K258 L259I243-Y262 HydrophobicContact CG2-CD2 4.15Å; I243-Y262 HydrophobicContact CG2-CG 4.04Å; Q246-Y262 HydrophobicContact CB-CD1 3.75Å; Q246-Y262 HydrophobicContact CB-CE1 4.03Å; T247-Y262 PolarHBondContact OG1-OH 3.39Å; T247-Y262 VanDerWaalsContact OG1-OH 3.05Å; I249-Y262 HydrophobicContact CD1-CE2 4.27Å; L255-Y262 HydrophobicContact CD1-CD2 4.49Å; L255-Y262 HydrophobicContact CD1-CE2 4.15Å; K258-Y262 HydrophobicContact CB-CE2 4.43Å; K258-Y262 WeakPolarHBondContact O-CD2 3.41Å; L259-Y262 PolarHBondContact O-N 2.96Å
263T90Very high85.8Confident36 Ų3669.4 Ų69.422%0.22135%0.346CS..SBendtrans-146.2149.5178-171.30000111.7I235 I243 L259 L265I235-T263 HydrophobicContact CD1-CG2 3.98Å; I243-T263 HydrophobicContact CD1-CG2 3.87Å; L259-T263 HydrophobicContact CG-CG2 4.46Å; L259-T263 PolarHBondContact O-N 3.43Å; T263-L265 HydrophobicContact CG2-CD2 4.18Å; T263-L265 PolarHBondContact O-N 3.35Å
264K87.8Confident83.7Confident197 Ų19772.3 Ų72.386%0.85737%0.367SS*.PPolyproline II helixtrans-66116.2164.4-174.7175.9-178.5177.80108
265L85.4Confident81.4Confident16 Ų1674 Ų748%0.08438%0.382CS..PPolyproline II helixtrans-70.9152.1173.1-63.7176.6000110.1L259 T263 L270L259-L265 HydrophobicContact CB-CD2 4.45Å; L259-L265 HydrophobicContact CD2-CD2 3.82Å; L259-L265 HydrophobicContact CG-CD2 3.96Å; T263-L265 HydrophobicContact CG2-CD2 4.18Å; T263-L265 PolarHBondContact O-N 3.35Å; L265-L270 HydrophobicContact CB-CD2 3.85Å; L265-L270 HydrophobicContact CB-CG 4.09Å; L265-L270 HydrophobicContact CD1-CD2 3.76Å; L265-L270 HydrophobicContact CG-CD2 4.41Å
266S85Confident78.8Confident39 Ų3982.2 Ų82.227%0.27342%0.421SS..PPolyproline II helixtrans-81.8155.5170.1740000110.4P233 N268 A269 L270P233-S266 WeakPolarHBondContact CB-OG 3.28Å; P233-S266 WeakPolarHBondContact O-CB 3.24Å; P233-S266 PolarHBondContact O-OG 3.21Å; S266-N268 PolarHBondContact O-N 3.3Å; S266-A269 PolarHBondContact O-N 3.22Å; S266-L270 PolarHBondContact O-N 2.93Å
267N82.8Confident76.1Confident139 Ų13987.2 Ų87.274%0.74345%0.451SS*.THydrogen-bonded Turntrans-57.3-23.9179.4-58.818.7000113A269N267-A269 VanDerWaalsContact C-N 3.32Å
268N82.8Confident73.7Confident137 Ų13789.3 Ų89.373%0.73347%0.466SS*.THydrogen-bonded Turntrans-80.8-11.3178.3-62.812000113.3P233 S266P233-N268 HydrophobicContact CB-CB 3.98Å; P233-N268 HydrophobicContact CG-CB 4.27Å; S266-N268 PolarHBondContact O-N 3.3Å
269A81Confident70.9Confident0 Ų091.7 Ų91.70%048%0.483CS..THydrogen-bonded Turntrans-105.3-16.5178.500000113.2I232 P233 S266 N267 I300 S301 L304I232-A269 HydrophobicContact CG2-CB 4.03Å; P233-A269 HydrophobicContact CB-CB 4.37Å; P233-A269 HydrophobicContact CG-CB 4.44Å; S266-A269 PolarHBondContact O-N 3.22Å; N267-A269 VanDerWaalsContact C-N 3.32Å; A269-I300 WeakPolarHBondContact O-CA 3.29Å; A269-S301 PolarHBondContact O-N 3.11Å; A269-L304 HydrophobicContact CB-CD2 4.12Å
270L81.8Confident68.6Low42 Ų4296.9 Ų96.922%0.2251%0.514CS..BIsolated β-bridgetrans-75.7152.5179.8-71.9172.4000111.9L265 S266 Q299L265-L270 HydrophobicContact CB-CD2 3.85Å; L265-L270 HydrophobicContact CB-CG 4.09Å; L265-L270 HydrophobicContact CD1-CD2 3.76Å; L265-L270 HydrophobicContact CG-CD2 4.41Å; S266-L270 PolarHBondContact O-N 2.93Å; L270-Q299 WeakPolarHBondContact CA-O 3.42Å; L270-Q299 WeakPolarHBondContact CD2-O 3.28Å
271A76.1Confident66.2Low34 Ų34104.6 Ų104.628%0.28154%0.542SS..PPolyproline II helixtrans-58146.9160.700000110.5Q299A271-Q299 PolarHBondContact N-O 2.74Å
272K69.7Low64Low169 Ų169103.3 Ų103.374%0.73554%0.543SS*.PPolyproline II helixtrans-74.2140.7167.1-65.9178.8-176.61740108.4D274K272-D274 WeakPolarHBondContact CB-OD1 3.47Å; K272-D274 PolarHBondContact O-N 2.9Å
273D58.4Low61.8Low102 Ų102107.2 Ų107.255%0.54557%0.574SS.*  trans-7674.9167.7-80-40.4000109T275D273-T275 PolarHBondContact O-N 3.32Å; D273-T275 PolarHBondContact O-OG1 3.24Å
274D50.9Low59.9Low138 Ų138116.6 Ų116.674%0.73861%0.605SS**  trans-69.970.8173.5-63.2-34.9000109.4K272 E276K272-D274 WeakPolarHBondContact CB-OD1 3.47Å; K272-D274 PolarHBondContact O-N 2.9Å; D274-E276 PolarHBondContact O-N 3.29Å
275T44Very low57.8Low107 Ų107111.5 Ų111.566%0.65661%0.609SS**  trans-90.879.3179.8-49.50000108.4D273 V277D273-T275 PolarHBondContact O-N 3.32Å; D273-T275 PolarHBondContact O-OG1 3.24Å; T275-V277 PolarHBondContact O-N 3.2Å
276E39.5Very low55.8Low173 Ų173119.7 Ų119.781%0.80864%0.643SS**  trans-61.7111.3168.1-70.5-160.1142.800109.4D274 V278D274-E276 PolarHBondContact O-N 3.29Å; E276-V278 HydrophobicContact CB-CG2 4.34Å; E276-V278 PolarHBondContact O-N 2.69Å
277V39.1Very low53.5Low105 Ų105129.4 Ų129.464%0.63667%0.674SS**  trans-80.576.2178.6-172.60000108.8T275 N279T275-V277 PolarHBondContact O-N 3.2Å; V277-N279 VanDerWaalsContact C-N 3.32Å; V277-N279 PolarHBondContact O-N 2.98Å
278V40.8Very low51.4Low103 Ų103130.8 Ų130.862%0.62468%0.676SS**  trans-68.289.6173.5-177.60000109.1E276 T280E276-V278 HydrophobicContact CB-CG2 4.34Å; E276-V278 PolarHBondContact O-N 2.69Å; V278-T280 HydrophobicContact CG1-CG2 4.22Å; V278-T280 PolarHBondContact O-N 2.96Å
279N34.6Very low49.2Very low132 Ų132131 Ų13171%0.70668%0.678SS**  trans-74.986175.2-73.6-49000110.5V277V277-N279 VanDerWaalsContact C-N 3.32Å; V277-N279 PolarHBondContact O-N 2.98Å
280T42.2Very low47.1Very low108 Ų108136.9 Ų136.966%0.66371%0.713SS**  trans-91.3112.7166.336.80000110.9V278 N282V278-T280 HydrophobicContact CG1-CG2 4.22Å; V278-T280 PolarHBondContact O-N 2.96Å; T280-N282 PolarHBondContact O-N 3.28Å
281E38.7Very low44.7Very low192 Ų192142.6 Ų142.690%0.89774%0.736SS**  trans-75.999.5172.3-66.7-162.5143.200110.9
282N42.4Very low42.6Very low142 Ų142146.6 Ų146.676%0.75976%0.757SS**  trans-89.6124.6170.4-92.3-40.3000111.2T280 R284T280-N282 PolarHBondContact O-N 3.28Å; N282-R284 PolarHBondContact O-N 2.65Å
283T45.3Very low40.8Very low141 Ų141144.1 Ų144.187%0.86575%0.752SS**SBendtrans-75.857-174.8440000114
284R48.9Very low39.8Very low232 Ų232149.3 Ų149.388%0.87577%0.765SS**SBendtrans-158.7111.5163.7-101144.4-170.4-156.72.7109.6N282 K286N282-R284 PolarHBondContact O-N 2.65Å; R284-K286 VanDerWaalsContact C-N 3.33Å; R284-K286 PolarHBondContact O-N 3.48Å
285G44.8Very low39.8Very low91 Ų91147.5 Ų147.594%0.93876%0.755SS**  trans-71.267.2-166.900000116.8
286K42.3Very low40.3Very low187 Ų187149 Ų14981%0.81375%0.753SS**  trans-134.493166.7-78.6-172.9175.4179.10111.2R284 Q288R284-K286 VanDerWaalsContact C-N 3.33Å; R284-K286 PolarHBondContact O-N 3.48Å; K286-Q288 PolarHBondContact O-N 3.37Å
287R37.5Very low41.1Very low243 Ų243143.8 Ų143.892%0.91774%0.736SS**  trans-69.4114.3164.4-86.1-179.7162.8170.7-5109.6
288Q39.3Very low42.5Very low168 Ų168141.2 Ų141.279%0.78572%0.722SS**  trans-116.4105.4163.4-77.3-171.4-23.700109.6K286 V290K286-Q288 PolarHBondContact O-N 3.37Å; Q288-V290 PolarHBondContact O-N 3.04Å; Q288-V290 VanDerWaalsContact O-N 3.16Å
289N35.6Very low44.4Very low143 Ų143140 Ų14077%0.76571%0.71SS**  trans-7992.2172.2-86.8-17.5000109.8K291N289-K291 VanDerWaalsContact C-N 3.32Å; N289-K291 PolarHBondContact O-N 3.43Å
290V37.2Very low47Very low122 Ų122134 Ų13474%0.73968%0.678SS**  trans-72.989.2166.2-177.60000108.3Q288 T292Q288-V290 PolarHBondContact O-N 3.04Å; Q288-V290 VanDerWaalsContact O-N 3.16Å; V290-T292 PolarHBondContact O-N 2.97Å
291K31.5Very low49.2Very low163 Ų163129.9 Ų129.971%0.70965%0.653SS**  trans-72.791174.5-75.2-169.2173-170.50110.7N289 N293N289-K291 VanDerWaalsContact C-N 3.32Å; N289-K291 PolarHBondContact O-N 3.43Å; K291-N293 PolarHBondContact O-N 3.27Å
292T31.1Very low51.7Low118 Ų118125.3 Ų125.372%0.72463%0.632SS**  trans-68.483.8159.638.70000108.9V290 Y294V290-T292 PolarHBondContact O-N 2.97Å; T292-Y294 PolarHBondContact O-N 3.18Å
293N32.7Very low53.9Low117 Ų117122.6 Ų122.663%0.62662%0.624SS**  trans-79.354-162.9-144.776.5000113.5K291K291-N293 PolarHBondContact O-N 3.27Å
294Y38.3Very low56.2Low210 Ų210117.1 Ų117.182%0.82459%0.589SS**  trans-80.5114.8166.7-84.3-85.8000109.6T292 K296T292-Y294 PolarHBondContact O-N 3.18Å; Y294-K296 VanDerWaalsContact C-N 3.33Å; Y294-K296 PolarHBondContact O-N 2.99Å
295N50.3Low58.3Low100 Ų100106.1 Ų106.154%0.53555%0.548SS..  trans-74.578.1-178.4-68.2-15.3000112S297 S298N295-S297 PolarHBondContact O-N 3.47Å; N295-S297 VanDerWaalsContact O-N 3.15Å; N295-S298 PolarHBondContact O-N 2.84Å; N295-S298 VanDerWaalsContact O-N 3.08Å; N295-S298 PolarHBondContact O-OG 3.31Å
296K54.8Low60.6Low140 Ų140104.1 Ų104.161%0.60951%0.514SS*.G310 helixtrans-49.8-35.6171.2-83.8-168.9171.1-171.60112.3Y294 S298 Q299Y294-K296 VanDerWaalsContact C-N 3.33Å; Y294-K296 PolarHBondContact O-N 2.99Å; K296-S298 PolarHBondContact O-N 3.27Å; K296-Q299 WeakPolarHBondContact O-CB 3.39Å; K296-Q299 PolarHBondContact O-N 3.3Å
297S56Low63Low63 Ų6398.5 Ų98.544%0.44150%0.495SS..G310 helixtrans-58.43.5174.658.90000116.6N295N295-S297 PolarHBondContact O-N 3.47Å; N295-S297 VanDerWaalsContact O-N 3.15Å
298S67.6Low65.8Low50 Ų5086.9 Ų86.935%0.3545%0.452SS..G310 helixtrans-118.60.7172.765.10000114.5N295 K296N295-S298 PolarHBondContact O-N 2.84Å; N295-S298 VanDerWaalsContact O-N 3.08Å; N295-S298 PolarHBondContact O-OG 3.31Å; K296-S298 PolarHBondContact O-N 3.27Å
299Q81Confident68.5Low78 Ų7879.4 Ų79.436%0.36442%0.417SS..SBendtrans-93147.3-178.8-62.5-175.8-66.100111.8L270 A271 K296L270-Q299 WeakPolarHBondContact CA-O 3.42Å; L270-Q299 WeakPolarHBondContact CD2-O 3.28Å; A271-Q299 PolarHBondContact N-O 2.74Å; K296-Q299 WeakPolarHBondContact O-CB 3.39Å; K296-Q299 PolarHBondContact O-N 3.3Å
300I88.5Confident71.4Confident6 Ų676 Ų763%0.03139%0.394CS..BIsolated β-bridgetrans-62.6147.2168.9-171.2168.5000110.2I232 L256 L259 A269 L304 L305I232-I300 HydrophobicContact CD1-CD1 4.12Å; L256-I300 HydrophobicContact CB-CG2 4.48Å; L256-I300 HydrophobicContact CD2-CD1 4.24Å; L256-I300 WeakPolarHBondContact O-CG2 3.43Å; L259-I300 HydrophobicContact CD2-CD1 4.5Å; A269-I300 WeakPolarHBondContact O-CA 3.29Å; I300-L304 HydrophobicContact CD1-CB 4.49Å; I300-L304 HydrophobicContact CD1-CD2 3.99Å; I300-L304 HydrophobicContact CD1-CG 4.31Å; I300-L304 HydrophobicContact CG1-CB 4.26Å; I300-L304 HydrophobicContact CG1-CD2 3.97Å; I300-L304 HydrophobicContact CG1-CG 4.45Å; I300-L305 HydrophobicContact CD1-CB 4.47Å; I300-L305 HydrophobicContact CG2-CB 3.97Å; I300-L305 HydrophobicContact CG2-CD1 3.87Å; I300-L305 HydrophobicContact CG2-CG 4.43Å
301S89.9Confident74.2Confident22 Ų2270.3 Ų70.315%0.15436%0.359CS..PPolyproline II helixtrans-66.9137.4174.153.70000111.6A269 S303 L304 L305A269-S301 PolarHBondContact O-N 3.11Å; S301-S303 VanDerWaalsContact C-N 3.27Å; S301-S303 PolarHBondContact O-N 3.06Å; S301-L304 PolarHBondContact O-N 3.36Å; S301-L304 VanDerWaalsContact OG-CB 3.31Å; S301-L304 WeakPolarHBondContact OG-CB 3.42Å; S301-L305 PolarHBondContact O-N 2.9Å
302E89.6Confident77.3Confident96 Ų9663 Ų6345%0.44933%0.327SS..Hα-helixtrans-62-34.2-172-164.961.4-15000112.4R253 L305 H306R253-E302 IonicContact CZ-OE1 3.42Å; R253-E302 IonicContact NE-OE1 3.9Å; R253-E302 IonicContact NH2-OE1 3.18Å; R253-E302 PolarHBondContact NH2-OE1 3.38Å; E302-L305 PolarHBondContact O-N 3.17Å; E302-L305 WeakPolarHBondContact OE1-CD2 3.32Å; E302-H306 WeakPolarHBondContact O-CB 3.42Å; E302-H306 PolarHBondContact O-N 2.95Å
303S89.8Confident80.5Confident85 Ų8557.5 Ų57.559%0.59429%0.294SS*.Hα-helixtrans-62.4-44.3173.554.20000112.6S301 H306 T307S301-S303 VanDerWaalsContact C-N 3.27Å; S301-S303 PolarHBondContact O-N 3.06Å; S303-H306 PolarHBondContact O-N 2.9Å; S303-T307 PolarHBondContact O-N 2.74Å; S303-T307 PolarHBondContact O-OG1 2.97Å
304L92.4Very high83.6Confident26 Ų2652 Ų5214%0.13626%0.264CS..Hα-helixtrans-67.9-38178.9-167.375.9000111.4F229 I232 A269 I300 S301 A308F229-L304 HydrophobicContact CE2-CD1 3.59Å; F229-L304 HydrophobicContact CE2-CG 4.03Å; F229-L304 WeakPolarHBondContact CE2-O 3.01Å; F229-L304 HydrophobicContact CZ-CD1 3.81Å; F229-L304 HydrophobicContact CZ-CG 3.97Å; I232-L304 HydrophobicContact CG2-CD2 4.29Å; A269-L304 HydrophobicContact CB-CD2 4.12Å; I300-L304 HydrophobicContact CD1-CB 4.49Å; I300-L304 HydrophobicContact CD1-CD2 3.99Å; I300-L304 HydrophobicContact CD1-CG 4.31Å; I300-L304 HydrophobicContact CG1-CB 4.26Å; I300-L304 HydrophobicContact CG1-CD2 3.97Å; I300-L304 HydrophobicContact CG1-CG 4.45Å; S301-L304 PolarHBondContact O-N 3.36Å; S301-L304 VanDerWaalsContact OG-CB 3.31Å; S301-L304 WeakPolarHBondContact OG-CB 3.42Å; L304-A308 WeakPolarHBondContact O-CB 3.39Å; L304-A308 PolarHBondContact O-N 3.29Å; L304-A308 VanDerWaalsContact O-N 3.08Å
305L93.6Very high86.4Confident1 Ų142 Ų421%0.00523%0.225CC..Hα-helixtrans-62.5-48.7171.9174.7164.1000111.3R253 L256 L257 I300 S301 E302 A308 V309R253-L305 HydrophobicContact CG-CD1 4.35Å; R253-L305 HydrophobicContact CG-CD2 3.88Å; R253-L305 HydrophobicContact CG-CG 4.38Å; L256-L305 HydrophobicContact CB-CD1 4.41Å; L256-L305 HydrophobicContact CB-CG 4.29Å; L256-L305 HydrophobicContact CD1-CG 4.31Å; L257-L305 HydrophobicContact CD2-CD1 3.51Å; L257-L305 HydrophobicContact CG-CD1 3.74Å; I300-L305 HydrophobicContact CD1-CB 4.47Å; I300-L305 HydrophobicContact CG2-CB 3.97Å; I300-L305 HydrophobicContact CG2-CD1 3.87Å; I300-L305 HydrophobicContact CG2-CG 4.43Å; S301-L305 PolarHBondContact O-N 2.9Å; E302-L305 PolarHBondContact O-N 3.17Å; E302-L305 WeakPolarHBondContact OE1-CD2 3.32Å; L305-A308 WeakPolarHBondContact O-CB 3.38Å; L305-A308 PolarHBondContact O-N 3.49Å; L305-V309 HydrophobicContact CD2-CG2 4.18Å; L305-V309 WeakPolarHBondContact O-CG2 3.39Å; L305-V309 PolarHBondContact O-N 3.3Å
306H92.7Very high88.6Confident49 Ų4939 Ų3923%0.22721%0.206CC..Hα-helixtrans-64-43.8-177.7-176.2-168.7000111.6E302 S303 A308 V309 R310 N345E302-H306 WeakPolarHBondContact O-CB 3.42Å; E302-H306 PolarHBondContact O-N 2.95Å; S303-H306 PolarHBondContact O-N 2.9Å; H306-A308 VanDerWaalsContact C-N 3.35Å; H306-A308 PolarHBondContact O-N 3.18Å; H306-V309 PolarHBondContact O-N 3.38Å; H306-R310 VanDerWaalsContact CE1-CZ 3.48Å; H306-R310 PolarHBondContact CE1-NH1 3.03Å; H306-R310 PolarHBondContact NE2-NE 3.14Å; H306-R310 VanDerWaalsContact NE2-NE 3.15Å; H306-R310 PolarHBondContact NE2-NH1 3.45Å; H306-R310 PolarHBondContact NE2-NH2 2.99Å; H306-R310 WeakPolarHBondContact O-CG 3.49Å; H306-R310 PolarHBondContact O-N 2.78Å; H306-N345 PolarHBondContact NE2-ND2 3.02Å
307T93.6Very high90.6Very high68 Ų6832.3 Ų32.342%0.41718%0.177SC..Hα-helixtrans-63.9-39173.6-460000111.8F229 S303 R310 A311F229-T307 HydrophobicContact CD2-CG2 3.76Å; S303-T307 PolarHBondContact O-N 2.74Å; S303-T307 PolarHBondContact O-OG1 2.97Å; T307-R310 PolarHBondContact O-N 3.41Å; T307-A311 WeakPolarHBondContact O-CB 3.41Å; T307-A311 PolarHBondContact O-N 3.32Å
308A96.1Very high92.6Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-64.3-42.817600000112.4I222 F229 F252 L256 L304 L305 H306 A311 E312I222-A308 HydrophobicContact CG2-CB 4.44Å; F229-A308 HydrophobicContact CD1-CB 4.3Å; F229-A308 HydrophobicContact CD2-CB 4.42Å; F229-A308 HydrophobicContact CE1-CB 3.95Å; F229-A308 HydrophobicContact CE2-CB 4.07Å; F229-A308 HydrophobicContact CZ-CB 3.83Å; F252-A308 HydrophobicContact CE1-CB 4.11Å; F252-A308 WeakPolarHBondContact CE1-O 3.36Å; F252-A308 HydrophobicContact CZ-CB 4.47Å; L256-A308 HydrophobicContact CD1-CB 3.75Å; L304-A308 WeakPolarHBondContact O-CB 3.39Å; L304-A308 PolarHBondContact O-N 3.29Å; L304-A308 VanDerWaalsContact O-N 3.08Å; L305-A308 WeakPolarHBondContact O-CB 3.38Å; L305-A308 PolarHBondContact O-N 3.49Å; H306-A308 VanDerWaalsContact C-N 3.35Å; H306-A308 PolarHBondContact O-N 3.18Å; A308-A311 WeakPolarHBondContact O-CB 3.16Å; A308-A311 PolarHBondContact O-N 2.9Å; A308-E312 PolarHBondContact O-N 2.66Å
309V96Very high94Very high11 Ų1127 Ų277%0.06714%0.14CC..Hα-helixtrans-63.2-44.41751720000111R253 L256 L305 H306 A311 E312 R313R253-V309 HydrophobicContact CB-CG2 3.98Å; R253-V309 HydrophobicContact CG-CG2 4.13Å; L256-V309 HydrophobicContact CD1-CG2 4.17Å; L305-V309 HydrophobicContact CD2-CG2 4.18Å; L305-V309 WeakPolarHBondContact O-CG2 3.39Å; L305-V309 PolarHBondContact O-N 3.3Å; H306-V309 PolarHBondContact O-N 3.38Å; V309-A311 VanDerWaalsContact C-N 3.27Å; V309-A311 PolarHBondContact O-N 2.98Å; V309-E312 WeakPolarHBondContact O-CB 3.13Å; V309-E312 PolarHBondContact O-N 3.18Å; V309-E312 VanDerWaalsContact O-N 3.14Å; V309-R313 PolarHBondContact O-N 2.76Å
310R95.8Very high94.9Very high71 Ų7123.4 Ų23.427%0.26812%0.123SC..Hα-helixtrans-63.9-28.9174.8-72.1-167.8164.8154-2113.1H306 T307 T314 E342 Y362H306-R310 VanDerWaalsContact CE1-CZ 3.48Å; H306-R310 PolarHBondContact CE1-NH1 3.03Å; H306-R310 PolarHBondContact NE2-NE 3.14Å; H306-R310 VanDerWaalsContact NE2-NE 3.15Å; H306-R310 PolarHBondContact NE2-NH1 3.45Å; H306-R310 PolarHBondContact NE2-NH2 2.99Å; H306-R310 WeakPolarHBondContact O-CG 3.49Å; H306-R310 PolarHBondContact O-N 2.78Å; T307-R310 PolarHBondContact O-N 3.41Å; R310-T314 WeakPolarHBondContact O-CB 3.42Å; R310-T314 PolarHBondContact O-N 2.92Å; R310-T314 PolarHBondContact O-OG1 2.85Å; R310-E342 IonicContact CZ-OE1 3.83Å; R310-E342 VanDerWaalsContact CZ-OE1 3.22Å; R310-E342 IonicContact NE-OE1 3.61Å; R310-E342 PolarHBondContact NE-OE1 2.9Å; R310-E342 IonicContact NH2-OE1 3.78Å; R310-E342 PolarHBondContact NH2-OE1 2.86Å; R310-Y362 HydrophobicContact CB-CD2 4.17Å; R310-Y362 HydrophobicContact CB-CE2 3.72Å; R310-Y362 HydrophobicContact CG-CD1 4.46Å; R310-Y362 HydrophobicContact CG-CD2 4.48Å; R310-Y362 HydrophobicContact CG-CE1 3.89Å; R310-Y362 HydrophobicContact CG-CE2 3.92Å; R310-Y362 WeakPolarHBondContact O-CE2 3.4Å
311A97Very high95.3Very high2 Ų223.1 Ų23.12%0.01712%0.121CC..Hα-helixtrans-70.8-38.817100000112.9I222 F229 T307 A308 V309 T314 F315I222-A311 HydrophobicContact CG2-CB 4.19Å; F229-A311 HydrophobicContact CB-CB 3.68Å; T307-A311 WeakPolarHBondContact O-CB 3.41Å; T307-A311 PolarHBondContact O-N 3.32Å; A308-A311 WeakPolarHBondContact O-CB 3.16Å; A308-A311 PolarHBondContact O-N 2.9Å; V309-A311 VanDerWaalsContact C-N 3.27Å; V309-A311 PolarHBondContact O-N 2.98Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.32Å; A311-F315 WeakPolarHBondContact O-CD2 3.36Å; A311-F315 PolarHBondContact O-N 2.69Å
312E97.1Very high95.7Very high9 Ų922.8 Ų22.84%0.04212%0.118CC..Hα-helixtrans-62.9-45.4172.5-153.5-73.3140.600111.4R218 Y219 I222 F252 A308 V309 T314 F315 R316R218-E312 IonicContact CZ-OE1 3.74Å; R218-E312 IonicContact NE-OE1 2.73Å; R218-E312 PolarHBondContact NE-OE1 3.08Å; R218-E312 IonicContact NH2-OE1 3.87Å; Y219-E312 HydrophobicContact CD1-CG 3.84Å; Y219-E312 HydrophobicContact CE1-CG 3.54Å; I222-E312 HydrophobicContact CD1-CB 3.82Å; I222-E312 HydrophobicContact CD1-CG 3.9Å; F252-E312 HydrophobicContact CB-CG 4.44Å; F252-E312 HydrophobicContact CD1-CB 3.71Å; F252-E312 HydrophobicContact CD1-CG 3.82Å; F252-E312 HydrophobicContact CE1-CB 4.08Å; F252-E312 HydrophobicContact CE1-CG 4.37Å; F252-E312 HydrophobicContact CG-CG 4.29Å; A308-E312 PolarHBondContact O-N 2.66Å; V309-E312 WeakPolarHBondContact O-CB 3.13Å; V309-E312 PolarHBondContact O-N 3.18Å; V309-E312 VanDerWaalsContact O-N 3.14Å; E312-T314 VanDerWaalsContact C-N 3.32Å; E312-T314 PolarHBondContact O-N 2.76Å; E312-F315 PolarHBondContact O-N 3.08Å; E312-R316 VanDerWaalsContact CD-CD 3.47Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 WeakPolarHBondContact OE1-CD 3.06Å; E312-R316 WeakPolarHBondContact OE2-CD 3.3Å; E312-R316 IonicContact OE2-CZ 2.66Å; E312-R316 IonicContact OE2-NE 2.69Å; E312-R316 IonicContact OE2-NH1 3.09Å; E312-R316 PolarHBondContact OE2-NH1 2.94Å
313R96.8Very high96Very high4 Ų418.4 Ų18.42%0.01510%0.098CC..Hα-helixtrans-61-38.2172.6-74.4-177.5179.9141.419.7111.9V309 R316 L317 D338 E341 E342 Y362V309-R313 PolarHBondContact O-N 2.76Å; R313-R316 PolarHBondContact O-N 3.4Å; R313-R316 VanDerWaalsContact O-N 3.13Å; R313-L317 HydrophobicContact CB-CD1 4.06Å; R313-L317 HydrophobicContact CG-CD1 4.14Å; R313-L317 WeakPolarHBondContact O-CA 3.3Å; R313-L317 WeakPolarHBondContact O-CB 3.25Å; R313-L317 WeakPolarHBondContact O-CG 3.42Å; R313-L317 PolarHBondContact O-N 3.41Å; R313-D338 IonicContact CZ-OD1 3.93Å; R313-D338 IonicContact NE-OD1 2.85Å; R313-D338 PolarHBondContact NE-OD1 2.71Å; R313-D338 IonicContact NH2-OD1 2.75Å; R313-D338 PolarHBondContact NH2-OD1 3.22Å; R313-E341 IonicContact CZ-OE2 3.54Å; R313-E341 IonicContact NH1-OE2 2.76Å; R313-E341 IonicContact NH2-OE2 3.25Å; R313-E341 PolarHBondContact NH2-OE2 3.38Å; R313-E342 IonicContact CZ-OE2 2.78Å; R313-E342 IonicContact NH1-OE2 3.27Å; R313-E342 PolarHBondContact NH1-OE2 2.81Å; R313-Y362 HydrophobicContact CB-CE2 4.15Å; R313-Y362 WeakPolarHBondContact CB-OH 3.33Å; R313-Y362 WeakPolarHBondContact CD-OH 3.43Å
314T97.6Very high96.1Very high0 Ų017.2 Ų17.20%09%0.093CC..Hα-helixtrans-58.5-52.1175.7-60.50000111.2L82 S84 Y228 R310 A311 E312 R316 L317 Q318L82-T314 HydrophobicContact CD2-CG2 3.68Å; S84-T314 WeakPolarHBondContact OG-CG2 3.26Å; S84-T314 PolarHBondContact OG-OG1 3.48Å; Y228-T314 HydrophobicContact CD1-CG2 3.95Å; Y228-T314 HydrophobicContact CD2-CG2 3.76Å; Y228-T314 HydrophobicContact CE1-CG2 3.81Å; Y228-T314 HydrophobicContact CE2-CG2 3.62Å; Y228-T314 HydrophobicContact CG-CG2 3.94Å; R310-T314 WeakPolarHBondContact O-CB 3.42Å; R310-T314 PolarHBondContact O-N 2.92Å; R310-T314 PolarHBondContact O-OG1 2.85Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.32Å; E312-T314 VanDerWaalsContact C-N 3.32Å; E312-T314 PolarHBondContact O-N 2.76Å; T314-R316 PolarHBondContact O-N 3.07Å; T314-L317 PolarHBondContact O-N 3.41Å; T314-Q318 WeakPolarHBondContact O-CB 3.4Å; T314-Q318 PolarHBondContact O-N 2.88Å
315F97.2Very high96.2Very high0 Ų019.1 Ų19.10%011%0.109CC..Hα-helixtrans-59.9-15.7177.1-82.2-67000115.1D173 L176 F177 R218 I222 C226 Y228 A311 E312 F331D173-F315 HydrophobicContact CB-CE1 4.15Å; D173-F315 HydrophobicContact CB-CZ 4.28Å; L176-F315 HydrophobicContact CB-CD1 3.84Å; L176-F315 HydrophobicContact CB-CE1 3.63Å; L176-F315 HydrophobicContact CB-CE2 4.41Å; L176-F315 HydrophobicContact CB-CG 4.35Å; L176-F315 HydrophobicContact CB-CZ 3.95Å; L176-F315 HydrophobicContact CD2-CD2 4.37Å; L176-F315 HydrophobicContact CD2-CE1 4.25Å; L176-F315 HydrophobicContact CD2-CE2 3.73Å; L176-F315 HydrophobicContact CD2-CZ 3.68Å; L176-F315 HydrophobicContact CG-CZ 4.43Å; F177-F315 HydrophobicContact CD1-CD1 4.04Å; F177-F315 VanDerWaalsContact CD1-O 3.25Å; F177-F315 WeakPolarHBondContact CD1-O 3.47Å; F177-F315 AromaticContact CD2-CD1 3.63Å; F177-F315 HydrophobicContact CD2-CD1 3.63Å; F177-F315 AromaticContact CD2-CE1 3.81Å; F177-F315 HydrophobicContact CD2-CE1 3.81Å; F177-F315 HydrophobicContact CE1-CB 4.49Å; F177-F315 AromaticContact CE1-CD1 3.91Å; F177-F315 HydrophobicContact CE1-CD1 3.91Å; F177-F315 AromaticContact CE2-CD1 3.46Å; F177-F315 HydrophobicContact CE2-CD1 3.46Å; F177-F315 VanDerWaalsContact CE2-CD1 3.46Å; F177-F315 AromaticContact CE2-CE1 3.53Å; F177-F315 HydrophobicContact CE2-CE1 3.53Å; F177-F315 AromaticContact CG-CD1 3.91Å; F177-F315 HydrophobicContact CG-CD1 3.91Å; F177-F315 AromaticContact CZ-CD1 3.62Å; F177-F315 HydrophobicContact CZ-CD1 3.62Å; F177-F315 HydrophobicContact CZ-CE1 4.06Å; R218-F315 HydrophobicContact CG-CB 4.34Å; R218-F315 HydrophobicContact CG-CD2 4.36Å; R218-F315 HydrophobicContact CG-CG 4.48Å; I222-F315 HydrophobicContact CD1-CD2 3.98Å; I222-F315 HydrophobicContact CD1-CE2 4.36Å; I222-F315 HydrophobicContact CG1-CD2 4.02Å; I222-F315 HydrophobicContact CG1-CE2 3.88Å; C226-F315 HydrophobicContact CB-CE2 4.22Å; C226-F315 HydrophobicContact CB-CZ 4.16Å; Y228-F315 HydrophobicContact CD2-CD2 4.04Å; Y228-F315 AromaticContact CD2-CE2 3.76Å; Y228-F315 HydrophobicContact CD2-CE2 3.76Å; Y228-F315 HydrophobicContact CD2-CZ 4Å; Y228-F315 HydrophobicContact CE2-CD1 4.07Å; Y228-F315 HydrophobicContact CE2-CD2 4.11Å; Y228-F315 AromaticContact CE2-CE1 3.84Å; Y228-F315 HydrophobicContact CE2-CE1 3.84Å; Y228-F315 AromaticContact CE2-CE2 3.91Å; Y228-F315 HydrophobicContact CE2-CE2 3.91Å; Y228-F315 HydrophobicContact CE2-CG 4.18Å; Y228-F315 AromaticContact CE2-CZ 3.76Å; Y228-F315 HydrophobicContact CE2-CZ 3.76Å; A311-F315 WeakPolarHBondContact O-CD2 3.36Å; A311-F315 PolarHBondContact O-N 2.69Å; E312-F315 PolarHBondContact O-N 3.08Å; F315-F331 WeakPolarHBondContact O-CD1 3.24Å
316R96.6Very high96.3Very high38 Ų3821.1 Ų21.114%0.14312%0.116CC..Hα-helixtrans-106.7-34179-77.1172.357.6-140.9-11.4114E312 R313 T314 F331 S332 D338E312-R316 VanDerWaalsContact CD-CD 3.47Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 WeakPolarHBondContact OE1-CD 3.06Å; E312-R316 WeakPolarHBondContact OE2-CD 3.3Å; E312-R316 IonicContact OE2-CZ 2.66Å; E312-R316 IonicContact OE2-NE 2.69Å; E312-R316 IonicContact OE2-NH1 3.09Å; E312-R316 PolarHBondContact OE2-NH1 2.94Å; R313-R316 PolarHBondContact O-N 3.4Å; R313-R316 VanDerWaalsContact O-N 3.13Å; T314-R316 PolarHBondContact O-N 3.07Å; R316-F331 CarbonylContact O-C 3.51Å; R316-F331 WeakPolarHBondContact O-CB 3.32Å; R316-S332 PolarHBondContact O-N 3.09Å; R316-S332 PolarHBondContact O-OG 3.39Å; R316-D338 IonicContact CZ-OD2 3.16Å; R316-D338 VanDerWaalsContact CZ-OD2 3.25Å; R316-D338 IonicContact NH1-OD1 3.7Å; R316-D338 IonicContact NH1-OD2 3.95Å; R316-D338 PolarHBondContact NH1-OD2 2.87Å; R316-D338 IonicContact NH2-OD2 3.76Å; R316-D338 PolarHBondContact NH2-OD2 2.97Å
317L97.4Very high96.5Very high0 Ų020.1 Ų20.10%011%0.114CC..Hα-helixtrans-119.99.2-164.2-50.6-178000112.3R313 T314 R330 S332 P334 F360R313-L317 HydrophobicContact CB-CD1 4.06Å; R313-L317 HydrophobicContact CG-CD1 4.14Å; R313-L317 WeakPolarHBondContact O-CA 3.3Å; R313-L317 WeakPolarHBondContact O-CB 3.25Å; R313-L317 WeakPolarHBondContact O-CG 3.42Å; R313-L317 PolarHBondContact O-N 3.41Å; T314-L317 PolarHBondContact O-N 3.41Å; L317-R330 WeakPolarHBondContact O-CD 3.43Å; L317-R330 PolarHBondContact O-NH1 2.83Å; L317-S332 WeakPolarHBondContact CD2-O 3.38Å; L317-P334 HydrophobicContact CD1-CB 4.09Å; L317-P334 HydrophobicContact CD2-CB 4.15Å; L317-F360 HydrophobicContact CD1-CB 4.43Å; L317-F360 HydrophobicContact CD1-CD1 3.65Å; L317-F360 HydrophobicContact CD1-CD2 4.13Å; L317-F360 HydrophobicContact CD1-CE1 3.87Å; L317-F360 HydrophobicContact CD1-CE2 4.34Å; L317-F360 HydrophobicContact CD1-CG 3.79Å; L317-F360 HydrophobicContact CD1-CZ 4.21Å
318Q98Very high96.6Very high0 Ų017.4 Ų17.40%010%0.097CC..  trans-57.3141.4171.3-170.1166.819.200111L82 E150 A153 F177 T314 I320 F331 A363L82-Q318 HydrophobicContact CD1-CG 4.32Å; E150-Q318 PolarHBondContact OE2-NE2 2.94Å; A153-Q318 HydrophobicContact CB-CB 4.01Å; A153-Q318 HydrophobicContact CB-CG 4.02Å; F177-Q318 VanDerWaalsContact CZ-OE1 3.26Å; T314-Q318 WeakPolarHBondContact O-CB 3.4Å; T314-Q318 PolarHBondContact O-N 2.88Å; Q318-I320 PolarHBondContact O-N 3.49Å; Q318-F331 VanDerWaalsContact O-CB 3.27Å; Q318-F331 WeakPolarHBondContact O-CB 3.47Å; Q318-F331 PolarHBondContact O-N 3.04Å; Q318-A363 WeakPolarHBondContact CA-O 3.34Å
319V98Very high96.6Very high2 Ų220.5 Ų20.51%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-75.2124.8179.9-1760000110.7P148 Y149 Q328 K329 A363 V366P148-V319 HydrophobicContact CB-CG1 4.18Å; P148-V319 HydrophobicContact CG-CG1 4.31Å; Y149-V319 HydrophobicContact CD2-CB 3.95Å; Y149-V319 HydrophobicContact CE2-CB 3.83Å; Y149-V319 HydrophobicContact CE2-CG1 4.44Å; Y149-V319 HydrophobicContact CE2-CG2 4.18Å; V319-Q328 HydrophobicContact CG1-CB 3.78Å; V319-Q328 HydrophobicContact CG1-CG 4.07Å; V319-K329 WeakPolarHBondContact CA-O 3.46Å; V319-A363 PolarHBondContact N-O 2.88Å; V319-V366 HydrophobicContact CG1-CG2 4.14Å; V319-V366 HydrophobicContact CG2-CG2 3.68Å
320I98.2Very high96.7Very high1 Ų121.3 Ų21.31%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-115.5162.5174.461.377.1000110.5A153 Y157 Q318 D322 Q328 K329 F331A153-I320 HydrophobicContact CB-CG2 3.56Å; Y157-I320 HydrophobicContact CD1-CD1 3.86Å; Y157-I320 HydrophobicContact CD2-CD1 3.64Å; Y157-I320 HydrophobicContact CD2-CG1 3.97Å; Y157-I320 HydrophobicContact CE1-CD1 3.98Å; Y157-I320 HydrophobicContact CE2-CD1 3.77Å; Y157-I320 HydrophobicContact CG-CD1 3.7Å; Y157-I320 HydrophobicContact CG-CG1 3.98Å; Q318-I320 PolarHBondContact O-N 3.49Å; I320-D322 HydrophobicContact CD1-CB 4.48Å; I320-Q328 WeakPolarHBondContact O-CA 3.21Å; I320-K329 HydrophobicContact CD1-CD 4.41Å; I320-K329 HydrophobicContact CD1-CG 3.68Å; I320-K329 HydrophobicContact CG1-CG 4.48Å; I320-K329 PolarHBondContact N-O 2.81Å; I320-K329 PolarHBondContact O-N 3.44Å; I320-F331 HydrophobicContact CG1-CB 4.4Å; I320-F331 HydrophobicContact CG2-CB 4.13Å; I320-F331 HydrophobicContact CG2-CD2 4.26Å
321F98.3Very high96.7Very high0 Ų019 Ų190%010%0.104CC..EExtended strand (participates in β ladder)trans-97.5125.5171.2-169.8-91.2000110.5P148 Q154 I323 R326 Q328 A373 F374 A377 W435P148-F321 HydrophobicContact CG-CB 4.03Å; Q154-F321 PolarHBondContact NE2-O 3.47Å; Q154-F321 PolarHBondContact OE1-O 3.29Å; F321-I323 HydrophobicContact CD1-CG1 4.36Å; F321-R326 VanDerWaalsContact CZ-CA 3.44Å; F321-R326 HydrophobicContact CZ-CB 4.04Å; F321-Q328 HydrophobicContact CD2-CG 4.15Å; F321-A373 HydrophobicContact CD2-CB 4.48Å; F321-A373 HydrophobicContact CE2-CB 4.1Å; F321-F374 HydrophobicContact CE1-CD2 4.19Å; F321-F374 HydrophobicContact CE2-CB 4.27Å; F321-F374 HydrophobicContact CZ-CB 3.92Å; F321-F374 AromaticContact CZ-CD2 3.77Å; F321-F374 HydrophobicContact CZ-CD2 3.77Å; F321-F374 HydrophobicContact CZ-CG 4.3Å; F321-A377 HydrophobicContact CB-CB 4.21Å; F321-A377 HydrophobicContact CD1-CB 3.7Å; F321-A377 HydrophobicContact CD2-CB 3.67Å; F321-A377 HydrophobicContact CE1-CB 3.96Å; F321-A377 HydrophobicContact CE2-CB 3.93Å; F321-A377 HydrophobicContact CG-CB 3.54Å; F321-A377 HydrophobicContact CZ-CB 4.06Å; F321-W435 HydrophobicContact CD1-CZ3 4.48Å; F321-W435 HydrophobicContact CE1-CH2 4.35Å; F321-W435 AromaticContact CE1-CZ3 3.92Å; F321-W435 HydrophobicContact CE1-CZ3 3.92Å
322D97.3Very high96.6Very high15 Ų1520.6 Ų20.68%0.0812%0.116CC..EExtended strand (participates in β ladder)trans-93.8113.1176.3-174.113.2000111.2Y157 I320 A324 S325 R326 C327 K329Y157-D322 HydrophobicContact CE1-CB 4.36Å; Y157-D322 PolarHBondContact OH-OD1 2.95Å; Y157-D322 PolarHBondContact OH-OD2 2.99Å; I320-D322 HydrophobicContact CD1-CB 4.48Å; D322-A324 VanDerWaalsContact C-N 3.31Å; D322-A324 PolarHBondContact O-N 2.85Å; D322-A324 PolarHBondContact OD1-N 2.9Å; D322-S325 WeakPolarHBondContact CB-OG 3.41Å; D322-S325 PolarHBondContact OD2-OG 3.35Å; D322-R326 VanDerWaalsContact O-CA 3.22Å; D322-R326 WeakPolarHBondContact O-CA 3.26Å; D322-R326 PolarHBondContact O-N 2.88Å; D322-C327 PolarHBondContact N-O 2.93Å; D322-C327 PolarHBondContact O-N 2.92Å; D322-K329 HydrophobicContact CB-CD 4.06Å; D322-K329 HydrophobicContact CB-CG 4.41Å; D322-K329 VanDerWaalsContact CG-NZ 3.32Å; D322-K329 IonicContact OD2-NZ 2.67Å; D322-K329 PolarHBondContact OD2-NZ 2.65Å
323I95.9Very high96.5Very high4 Ų427 Ų272%0.02115%0.145CC..THydrogen-bonded Turntrans-66.5-32.7-175-60.2-176.9000112V145 L158 Y163 F321 I434 W435V145-I323 HydrophobicContact CG2-CD1 3.94Å; L158-I323 HydrophobicContact CD2-CD1 3.67Å; Y163-I323 HydrophobicContact CE1-CB 4.35Å; Y163-I323 HydrophobicContact CE1-CG2 4.31Å; F321-I323 HydrophobicContact CD1-CG1 4.36Å; I323-I434 HydrophobicContact CD1-CB 4.48Å; I323-I434 HydrophobicContact CD1-CD1 3.68Å; I323-I434 HydrophobicContact CD1-CG1 4.05Å; I323-I434 WeakPolarHBondContact CG2-O 3.23Å; I323-W435 HydrophobicContact CG1-CZ3 4.23Å; I323-W435 HydrophobicContact CG2-CD2 4.38Å; I323-W435 HydrophobicContact CG2-CE3 3.74Å; I323-W435 HydrophobicContact CG2-CZ3 4.08Å
324A92.8Very high96.4Very high61 Ų6128.3 Ų28.350%0.50416%0.155SC..THydrogen-bonded Turntrans-71.1-46.9-17700000112.9Y163 D322Y163-A324 PolarHBondContact OH-N 3.3Å; D322-A324 VanDerWaalsContact C-N 3.31Å; D322-A324 PolarHBondContact O-N 2.85Å; D322-A324 PolarHBondContact OD1-N 2.9Å
325S94.1Very high96.2Very high66 Ų6630.8 Ų30.846%0.46217%0.17SC..THydrogen-bonded Turntrans-85.5-19.6178.157.20000113.4D322 C327D322-S325 WeakPolarHBondContact CB-OG 3.41Å; D322-S325 PolarHBondContact OD2-OG 3.35Å; S325-C327 PolarHBondContact OG-SG 2.95Å
326R95.6Very high96Very high42 Ų4234.9 Ų34.916%0.15820%0.196CC..THydrogen-bonded Turntrans59.938.1-171.5-57.4-178176.3-169.4-5.4113.6F321 D322 F374 Y393 W435F321-R326 VanDerWaalsContact CZ-CA 3.44Å; F321-R326 HydrophobicContact CZ-CB 4.04Å; D322-R326 VanDerWaalsContact O-CA 3.22Å; D322-R326 WeakPolarHBondContact O-CA 3.26Å; D322-R326 PolarHBondContact O-N 2.88Å; R326-F374 HydrophobicContact CB-CB 4.44Å; R326-F374 HydrophobicContact CB-CD2 4.16Å; R326-F374 HydrophobicContact CB-CG 4.25Å; R326-F374 HydrophobicContact CG-CD2 4.1Å; R326-F374 HydrophobicContact CG-CE2 4.14Å; R326-F374 VanDerWaalsContact CZ-CZ 3.41Å; R326-F374 VanDerWaalsContact NH1-CE1 3.3Å; R326-F374 VanDerWaalsContact NH1-CZ 3.27Å; R326-Y393 PolarHBondContact NH1-OH 2.89Å; R326-Y393 VanDerWaalsContact NH1-OH 3.11Å; R326-W435 PolarHBondContact NH2-O 3.39Å
327C96.4Very high95.7Very high28 Ų2838.3 Ų38.319%0.18921%0.214CC..EExtended strand (participates in β ladder)trans-124.7165.4175.770.10000112.8D322 S325 N370D322-C327 PolarHBondContact N-O 2.93Å; D322-C327 PolarHBondContact O-N 2.92Å; S325-C327 PolarHBondContact OG-SG 2.95Å; C327-N370 WeakPolarHBondContact CB-OD1 3.36Å
328Q97.2Very high95.5Very high12 Ų1238.9 Ų38.96%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-84143.9163-77.7179.113.500110.9P148 V319 I320 F321 V366 L367 A373P148-Q328 HydrophobicContact CB-CG 4.33Å; P148-Q328 HydrophobicContact CG-CG 3.88Å; V319-Q328 HydrophobicContact CG1-CB 3.78Å; V319-Q328 HydrophobicContact CG1-CG 4.07Å; I320-Q328 WeakPolarHBondContact O-CA 3.21Å; F321-Q328 HydrophobicContact CD2-CG 4.15Å; Q328-V366 HydrophobicContact CB-CG1 4.01Å; Q328-L367 VanDerWaalsContact OE1-CB 3.32Å; Q328-A373 HydrophobicContact CG-CB 4.06Å
329K95.8Very high95.2Very high64 Ų6441.5 Ų41.528%0.27823%0.231SC..EExtended strand (participates in β ladder)trans-151.7166.2172.965.9-176.1-171.3-166.60111.5Y157 V319 I320 D322Y157-K329 WeakPolarHBondContact OH-CE 3.49Å; Y157-K329 PolarHBondContact OH-NZ 3.39Å; V319-K329 WeakPolarHBondContact CA-O 3.46Å; I320-K329 HydrophobicContact CD1-CD 4.41Å; I320-K329 HydrophobicContact CD1-CG 3.68Å; I320-K329 HydrophobicContact CG1-CG 4.48Å; I320-K329 PolarHBondContact N-O 2.81Å; I320-K329 PolarHBondContact O-N 3.44Å; D322-K329 HydrophobicContact CB-CD 4.06Å; D322-K329 HydrophobicContact CB-CG 4.41Å; D322-K329 VanDerWaalsContact CG-NZ 3.32Å; D322-K329 IonicContact OD2-NZ 2.67Å; D322-K329 PolarHBondContact OD2-NZ 2.65Å
330R97Very high94.8Very high28 Ų2846.3 Ų46.311%0.10626%0.256CS..EExtended strand (participates in β ladder)trans-66.1143.1171.7-61.3-73.1177.8-162.5-4.5109.5L317 S332 D358 L359 F360 A363 G364L317-R330 WeakPolarHBondContact O-CD 3.43Å; L317-R330 PolarHBondContact O-NH1 2.83Å; R330-S332 VanDerWaalsContact CB-O 3.29Å; R330-S332 WeakPolarHBondContact CB-O 3.42Å; R330-S332 PolarHBondContact O-N 3.02Å; R330-D358 IonicContact NH2-OD1 2.94Å; R330-L359 PolarHBondContact NH2-O 2.96Å; R330-F360 PolarHBondContact NH1-O 2.88Å; R330-F360 PolarHBondContact NH2-O 3.36Å; R330-A363 PolarHBondContact NH1-O 3.25Å; R330-G364 VanDerWaalsContact CZ-O 3.31Å; R330-G364 PolarHBondContact NH1-O 2.9Å; R330-G364 PolarHBondContact NH2-O 3.22Å
331F96.9Very high94.3Very high22 Ų2248.6 Ų48.610%0.09627%0.267CS..SBendtrans-60.1-32.4-179172.8-121.8000113.4A156 Y157 F177 F315 R316 Q318 I320A156-F331 HydrophobicContact CB-CE2 3.91Å; A156-F331 HydrophobicContact CB-CZ 3.72Å; Y157-F331 HydrophobicContact CD2-CD2 4.45Å; F177-F331 HydrophobicContact CB-CE1 4.18Å; F177-F331 HydrophobicContact CB-CZ 4.2Å; F177-F331 HydrophobicContact CD1-CD1 4.12Å; F177-F331 AromaticContact CD1-CE1 3.82Å; F177-F331 HydrophobicContact CD1-CE1 3.82Å; F177-F331 HydrophobicContact CD1-CZ 4.37Å; F177-F331 WeakPolarHBondContact O-CE1 3.47Å; F177-F331 VanDerWaalsContact O-CZ 3.28Å; F177-F331 WeakPolarHBondContact O-CZ 3.46Å; F315-F331 WeakPolarHBondContact O-CD1 3.24Å; R316-F331 CarbonylContact O-C 3.51Å; R316-F331 WeakPolarHBondContact O-CB 3.32Å; Q318-F331 VanDerWaalsContact O-CB 3.27Å; Q318-F331 WeakPolarHBondContact O-CB 3.47Å; Q318-F331 PolarHBondContact O-N 3.04Å; I320-F331 HydrophobicContact CG1-CB 4.4Å; I320-F331 HydrophobicContact CG2-CB 4.13Å; I320-F331 HydrophobicContact CG2-CD2 4.26Å
332S94.9Very high93.9Very high37 Ų3748.7 Ų48.726%0.25927%0.267SS..SBendtrans-142.6161.2162.561.50000109.2R316 L317 R330R316-S332 PolarHBondContact O-N 3.09Å; R316-S332 PolarHBondContact O-OG 3.39Å; L317-S332 WeakPolarHBondContact CD2-O 3.38Å; R330-S332 VanDerWaalsContact CB-O 3.29Å; R330-S332 WeakPolarHBondContact CB-O 3.42Å; R330-S332 PolarHBondContact O-N 3.02Å
333E94.2Very high93.4Very high142 Ų14251 Ų5166%0.66428%0.279SS*.PPolyproline II helixtrans-70141.7176.7-55.1-54.1147.300111.1
334P94.3Very high92.8Very high33 Ų3356.2 Ų56.221%0.21430%0.303CS..PPolyproline II helixtrans-66.4148.5169.230.4-34.8000110.3L317 D338 I339 F360L317-P334 HydrophobicContact CD1-CB 4.09Å; L317-P334 HydrophobicContact CD2-CB 4.15Å; P334-D338 HydrophobicContact CB-CB 4.13Å; P334-I339 HydrophobicContact CB-CG1 4.15Å; P334-I339 HydrophobicContact CG-CD1 4.16Å; P334-I339 HydrophobicContact CG-CG1 4.21Å; P334-F360 HydrophobicContact CB-CE2 3.66Å; P334-F360 HydrophobicContact CB-CZ 3.79Å; P334-F360 HydrophobicContact CG-CE2 3.92Å; P334-F360 HydrophobicContact CG-CZ 4.5Å
335T93.8Very high92.1Very high51 Ų5155.1 Ų55.131%0.31329%0.289SS..PPolyproline II helixtrans-82164.517077.70000110.4E337 D338 I339T335-E337 WeakPolarHBondContact CB-OE2 3.21Å; T335-E337 PolarHBondContact O-N 2.96Å; T335-E337 PolarHBondContact OG1-N 3.29Å; T335-E337 PolarHBondContact OG1-OE2 2.91Å; T335-D338 PolarHBondContact N-OD2 3.45Å; T335-D338 WeakPolarHBondContact O-CB 3.45Å; T335-D338 PolarHBondContact O-N 3.46Å; T335-D338 VanDerWaalsContact O-N 3.07Å; T335-D338 PolarHBondContact OG1-N 3.04Å; T335-D338 PolarHBondContact OG1-OD2 3.44Å; T335-I339 PolarHBondContact O-N 3.06Å; T335-I339 VanDerWaalsContact O-N 3.14Å
336P93Very high91.2Very high86 Ų8654 Ų5456%0.55828%0.277SS*.Hα-helixtrans-53.9-40.5172.2-26.136.3000112.1D338 I339 D340P336-D338 VanDerWaalsContact C-N 3.33Å; P336-D338 PolarHBondContact O-N 3.37Å; P336-I339 WeakPolarHBondContact O-CB 3.47Å; P336-I339 PolarHBondContact O-N 3.41Å; P336-I339 VanDerWaalsContact O-N 3.08Å; P336-D340 VanDerWaalsContact O-CG 3.26Å; P336-D340 PolarHBondContact O-N 2.85Å
337E90.5Very high89.5Confident110 Ų11056.4 Ų56.451%0.51429%0.293SS..Hα-helixtrans-67-31.3178-50.383.617400112.8T335 I339 E341T335-E337 WeakPolarHBondContact CB-OE2 3.21Å; T335-E337 PolarHBondContact O-N 2.96Å; T335-E337 PolarHBondContact OG1-N 3.29Å; T335-E337 PolarHBondContact OG1-OE2 2.91Å; E337-I339 VanDerWaalsContact C-N 3.33Å; E337-E341 WeakPolarHBondContact O-CB 3.43Å; E337-E341 WeakPolarHBondContact O-CG 3.35Å; E337-E341 PolarHBondContact O-N 2.87Å; E337-E341 VanDerWaalsContact O-N 3.15Å
338D92.9Very high87.5Confident12 Ų1262 Ų626%0.06432%0.317CS..Hα-helixtrans-67.8-34.6171.6-72.5-49000112R313 R316 P334 T335 P336 E342 F360R313-D338 IonicContact CZ-OD1 3.93Å; R313-D338 IonicContact NE-OD1 2.85Å; R313-D338 PolarHBondContact NE-OD1 2.71Å; R313-D338 IonicContact NH2-OD1 2.75Å; R313-D338 PolarHBondContact NH2-OD1 3.22Å; R316-D338 IonicContact CZ-OD2 3.16Å; R316-D338 VanDerWaalsContact CZ-OD2 3.25Å; R316-D338 IonicContact NH1-OD1 3.7Å; R316-D338 IonicContact NH1-OD2 3.95Å; R316-D338 PolarHBondContact NH1-OD2 2.87Å; R316-D338 IonicContact NH2-OD2 3.76Å; R316-D338 PolarHBondContact NH2-OD2 2.97Å; P334-D338 HydrophobicContact CB-CB 4.13Å; T335-D338 PolarHBondContact N-OD2 3.45Å; T335-D338 WeakPolarHBondContact O-CB 3.45Å; T335-D338 PolarHBondContact O-N 3.46Å; T335-D338 VanDerWaalsContact O-N 3.07Å; T335-D338 PolarHBondContact OG1-N 3.04Å; T335-D338 PolarHBondContact OG1-OD2 3.44Å; P336-D338 VanDerWaalsContact C-N 3.33Å; P336-D338 PolarHBondContact O-N 3.37Å; D338-E342 WeakPolarHBondContact O-CB 3.3Å; D338-E342 PolarHBondContact O-N 2.88Å; D338-F360 HydrophobicContact CB-CE1 4.19Å; D338-F360 HydrophobicContact CB-CZ 4.12Å; D338-F360 WeakPolarHBondContact O-CE1 3.29Å; D338-F360 WeakPolarHBondContact O-CZ 3.34Å
339I92.2Very high85.4Confident56 Ų5667.8 Ų67.829%0.28735%0.348SS..Hα-helixtrans-73.4-49.8177.8-66.5167.2000110.4P334 T335 P336 E337 E341 E342 L343 L359 F360P334-I339 HydrophobicContact CB-CG1 4.15Å; P334-I339 HydrophobicContact CG-CD1 4.16Å; P334-I339 HydrophobicContact CG-CG1 4.21Å; T335-I339 PolarHBondContact O-N 3.06Å; T335-I339 VanDerWaalsContact O-N 3.14Å; P336-I339 WeakPolarHBondContact O-CB 3.47Å; P336-I339 PolarHBondContact O-N 3.41Å; P336-I339 VanDerWaalsContact O-N 3.08Å; E337-I339 VanDerWaalsContact C-N 3.33Å; I339-E341 PolarHBondContact O-N 3.34Å; I339-E342 PolarHBondContact O-N 2.83Å; I339-L343 HydrophobicContact CG2-CD1 3.72Å; I339-L343 HydrophobicContact CG2-CG 4.34Å; I339-L343 WeakPolarHBondContact O-CB 3.49Å; I339-L343 WeakPolarHBondContact O-CG 3.38Å; I339-L343 PolarHBondContact O-N 2.93Å; I339-L359 HydrophobicContact CG2-CD1 3.96Å; I339-F360 HydrophobicContact CG1-CE2 4.3Å; I339-F360 HydrophobicContact CG1-CZ 4.11Å
340D90Very high83.2Confident103 Ų10371 Ų7155%0.55136%0.362SS*.Hα-helixtrans-61.8-43.6-177.7-66.6-20.5000111.8P336 H344P336-D340 VanDerWaalsContact O-CG 3.26Å; P336-D340 PolarHBondContact O-N 2.85Å; D340-H344 PolarHBondContact O-N 3.21Å; D340-H344 VanDerWaalsContact O-N 3.1Å
341E87Confident81Confident48 Ų4873.5 Ų73.522%0.22440%0.395CS..Hα-helixtrans-66.3-37.6175.4-76.7-169.8174.700112.6R253 R313 E337 I339 N345R253-E341 WeakPolarHBondContact CD-OE1 3.3Å; R313-E341 IonicContact CZ-OE2 3.54Å; R313-E341 IonicContact NH1-OE2 2.76Å; R313-E341 IonicContact NH2-OE2 3.25Å; R313-E341 PolarHBondContact NH2-OE2 3.38Å; E337-E341 WeakPolarHBondContact O-CB 3.43Å; E337-E341 WeakPolarHBondContact O-CG 3.35Å; E337-E341 PolarHBondContact O-N 2.87Å; E337-E341 VanDerWaalsContact O-N 3.15Å; I339-E341 PolarHBondContact O-N 3.34Å; E341-N345 PolarHBondContact O-N 2.69Å; E341-N345 PolarHBondContact O-ND2 2.89Å
342E89.3Confident78.5Confident3 Ų377.1 Ų77.11%0.01442%0.423CS..Hα-helixtrans-73.8-35.4-179.5-153.672.2-12700111.7R310 R313 D338 I339 N345 L346 F360 Y362R310-E342 IonicContact CZ-OE1 3.83Å; R310-E342 VanDerWaalsContact CZ-OE1 3.22Å; R310-E342 IonicContact NE-OE1 3.61Å; R310-E342 PolarHBondContact NE-OE1 2.9Å; R310-E342 IonicContact NH2-OE1 3.78Å; R310-E342 PolarHBondContact NH2-OE1 2.86Å; R313-E342 IonicContact CZ-OE2 2.78Å; R313-E342 IonicContact NH1-OE2 3.27Å; R313-E342 PolarHBondContact NH1-OE2 2.81Å; D338-E342 WeakPolarHBondContact O-CB 3.3Å; D338-E342 PolarHBondContact O-N 2.88Å; I339-E342 PolarHBondContact O-N 2.83Å; E342-N345 PolarHBondContact O-N 2.95Å; E342-L346 VanDerWaalsContact O-CD1 3.29Å; E342-L346 WeakPolarHBondContact O-CD1 3.38Å; E342-L346 WeakPolarHBondContact O-CG 3.46Å; E342-L346 PolarHBondContact O-N 3.45Å; E342-F360 HydrophobicContact CB-CD1 4.45Å; E342-F360 HydrophobicContact CB-CE1 3.82Å; E342-F360 HydrophobicContact CB-CZ 4.33Å; E342-F360 HydrophobicContact CG-CD1 4.06Å; E342-F360 HydrophobicContact CG-CE1 3.95Å; E342-Y362 HydrophobicContact CG-CE1 4.49Å; E342-Y362 WeakPolarHBondContact OE1-CE1 3.26Å; E342-Y362 WeakPolarHBondContact OE2-CE1 3.37Å; E342-Y362 PolarHBondContact OE2-OH 3.43Å
343L87.5Confident76.4Confident63 Ų6382.5 Ų82.533%0.3345%0.45SS..Hα-helixtrans-63.3-45.9172.8-76.5169.8000112.2I339 N345 L346 D347 L359I339-L343 HydrophobicContact CG2-CD1 3.72Å; I339-L343 HydrophobicContact CG2-CG 4.34Å; I339-L343 WeakPolarHBondContact O-CB 3.49Å; I339-L343 WeakPolarHBondContact O-CG 3.38Å; I339-L343 PolarHBondContact O-N 2.93Å; L343-N345 VanDerWaalsContact C-N 3.27Å; L343-N345 PolarHBondContact O-N 3.45Å; L343-L346 WeakPolarHBondContact O-CA 3.41Å; L343-L346 WeakPolarHBondContact O-CB 3.04Å; L343-L346 PolarHBondContact O-N 3.21Å; L343-D347 PolarHBondContact O-N 3.09Å; L343-L359 HydrophobicContact CD2-CD1 4.44Å; L343-L359 HydrophobicContact CD2-CD2 3.96Å; L343-L359 HydrophobicContact CG-CD1 4.37Å; L343-L359 HydrophobicContact CG-CD2 4.28Å
344H83.7Confident74.2Confident114 Ų11485.6 Ų85.653%0.52846%0.464SS..Hα-helixtrans-57-42.3175.4-174.4-60.6000111.6D340 L346 D347 E348D340-H344 PolarHBondContact O-N 3.21Å; D340-H344 VanDerWaalsContact O-N 3.1Å; H344-L346 PolarHBondContact O-N 2.97Å; H344-D347 PolarHBondContact O-N 2.9Å; H344-E348 IonicContact CE1-OE1 2.94Å; H344-E348 PolarHBondContact CE1-OE1 3.38Å; H344-E348 IonicContact ND1-OE1 3.17Å
345N78.1Confident72.3Confident38 Ų3890.7 Ų90.720%0.20349%0.49CS..Hα-helixtrans-70.5-8.5177.8-64-18000113.9H306 E341 E342 L343H306-N345 PolarHBondContact NE2-ND2 3.02Å; E341-N345 PolarHBondContact O-N 2.69Å; E341-N345 PolarHBondContact O-ND2 2.89Å; E342-N345 PolarHBondContact O-N 2.95Å; L343-N345 VanDerWaalsContact C-N 3.27Å; L343-N345 PolarHBondContact O-N 3.45Å
346L75.3Confident71Confident42 Ų4295.4 Ų95.422%0.2251%0.508CS..Hα-helixtrans-101.2-31.8175.3-73.3158.8000111.9E342 L343 H344 E348 L349 K350 V357 L359E342-L346 VanDerWaalsContact O-CD1 3.29Å; E342-L346 WeakPolarHBondContact O-CD1 3.38Å; E342-L346 WeakPolarHBondContact O-CG 3.46Å; E342-L346 PolarHBondContact O-N 3.45Å; L343-L346 WeakPolarHBondContact O-CA 3.41Å; L343-L346 WeakPolarHBondContact O-CB 3.04Å; L343-L346 PolarHBondContact O-N 3.21Å; H344-L346 PolarHBondContact O-N 2.97Å; L346-E348 VanDerWaalsContact C-N 3.26Å; L346-E348 PolarHBondContact O-N 3.1Å; L346-L349 WeakPolarHBondContact O-CA 3.25Å; L346-L349 WeakPolarHBondContact O-CB 3.34Å; L346-L349 PolarHBondContact O-N 3.08Å; L346-K350 PolarHBondContact O-N 2.85Å; L346-V357 HydrophobicContact CD1-CG1 3.75Å; L346-V357 HydrophobicContact CD2-CG1 4.26Å; L346-L359 HydrophobicContact CD1-CD2 3.39Å
347D59.3Low69.9Low92 Ų9295.1 Ų95.149%0.49250%0.504SS..Hα-helixtrans-63.9-31.2175-72.3-24.8000112.2L343 H344 L349 K350L343-D347 PolarHBondContact O-N 3.09Å; H344-D347 PolarHBondContact O-N 2.9Å; D347-L349 PolarHBondContact O-N 2.97Å; D347-L349 VanDerWaalsContact O-N 3.11Å; D347-K350 PolarHBondContact O-N 2.98Å; D347-K350 VanDerWaalsContact OD1-CD 3.32Å; D347-K350 WeakPolarHBondContact OD1-CD 3.49Å; D347-K350 WeakPolarHBondContact OD1-CE 3.47Å; D347-K350 IonicContact OD1-NZ 2.67Å; D347-K350 PolarHBondContact OD1-NZ 3.07Å
348E55.4Low69.4Low146 Ų14692.1 Ų92.168%0.68249%0.492SS*.THydrogen-bonded Turntrans-64-7.7169.5-67.5-177.4-174.100114.1H344 L346H344-E348 IonicContact CE1-OE1 2.94Å; H344-E348 PolarHBondContact CE1-OE1 3.38Å; H344-E348 IonicContact ND1-OE1 3.17Å; L346-E348 VanDerWaalsContact C-N 3.26Å; L346-E348 PolarHBondContact O-N 3.1Å
349L53.2Low69.3Low134 Ų13493.2 Ų93.270%0.70250%0.498SS*.THydrogen-bonded Turntrans-122.31.6-176.8-71166.8000114.1L346 D347 G351L346-L349 WeakPolarHBondContact O-CA 3.25Å; L346-L349 WeakPolarHBondContact O-CB 3.34Å; L346-L349 PolarHBondContact O-N 3.08Å; D347-L349 PolarHBondContact O-N 2.97Å; D347-L349 VanDerWaalsContact O-N 3.11Å; L349-G351 PolarHBondContact O-N 3.17Å
350K49.8Very low69.4Low132 Ų13291 Ų9157%0.57449%0.486SS*.  trans-75.590.1-173.5-82.8-179.6-176.7166.80113.5L346 D347L346-K350 PolarHBondContact O-N 2.85Å; D347-K350 PolarHBondContact O-N 2.98Å; D347-K350 VanDerWaalsContact OD1-CD 3.32Å; D347-K350 WeakPolarHBondContact OD1-CD 3.49Å; D347-K350 WeakPolarHBondContact OD1-CE 3.47Å; D347-K350 IonicContact OD1-NZ 2.67Å; D347-K350 PolarHBondContact OD1-NZ 3.07Å
351G49Very low69.6Low79 Ų7987.8 Ų87.881%0.81447%0.471SS*.  trans-129.315.5168.400000114.3L349L349-G351 PolarHBondContact O-N 3.17Å
352S45.4Very low70Confident98 Ų9886.8 Ų86.869%0.68547%0.466SS*.SBendtrans-149.4124.1-175.258.60000112.3
353D51.4Low70.3Confident151 Ų15186.7 Ų86.781%0.80747%0.465SS*.  trans27.6137.6155.5-51.5-28.3000121.4D355D353-D355 PolarHBondContact O-N 3.37Å
354E47.8Very low70.7Confident206 Ų20683.7 Ų83.796%0.96345%0.45SS*.  trans-76.231.5-165.3-54.4-171.9131.400116.3
355D54.4Low71.3Confident141 Ų14185 Ų8575%0.75445%0.45SS*.  trans-71.6149.2175.3-90.2-35.1000112.7D353 V357D353-D355 PolarHBondContact O-N 3.37Å; D355-V357 WeakPolarHBondContact O-CG2 3.48Å; D355-V357 PolarHBondContact O-N 2.94Å
356E65Low72.1Confident150 Ų15085.8 Ų85.870%0.70146%0.456SS*.  trans-56.4107.6-173-172.5-175.2172.500113D358 K368E356-D358 PolarHBondContact O-N 2.75Å; E356-K368 IonicContact OE1-NZ 2.77Å; E356-K368 PolarHBondContact OE1-NZ 2.78Å; E356-K368 IonicContact OE2-NZ 2.6Å; E356-K368 PolarHBondContact OE2-NZ 2.95Å
357V70.2Confident72.9Confident79 Ų7985.9 Ų85.948%0.47946%0.456SS..  trans-72.499.9-170.6-1700000111.9L346 D355 L359L346-V357 HydrophobicContact CD1-CG1 3.75Å; L346-V357 HydrophobicContact CD2-CG1 4.26Å; D355-V357 WeakPolarHBondContact O-CG2 3.48Å; D355-V357 PolarHBondContact O-N 2.94Å; V357-L359 PolarHBondContact O-N 3.37Å
358D80.9Confident74.5Confident47 Ų4788.3 Ų88.325%0.25146%0.463SS..  trans-68.784.8-179.9-171.4-3.1000112.5R330 E356 S361 R365R330-D358 IonicContact NH2-OD1 2.94Å; E356-D358 PolarHBondContact O-N 2.75Å; D358-S361 WeakPolarHBondContact O-CB 3.11Å; D358-S361 PolarHBondContact O-N 3.47Å; D358-S361 PolarHBondContact O-OG 3.1Å; D358-R365 VanDerWaalsContact OD2-CB 3.24Å; D358-R365 WeakPolarHBondContact OD2-CB 3.46Å; D358-R365 WeakPolarHBondContact OD2-CD 3.26Å; D358-R365 WeakPolarHBondContact OD2-CG 3.44Å; D358-R365 IonicContact OD2-CZ 2.78Å; D358-R365 IonicContact OD2-NE 3.12Å; D358-R365 IonicContact OD2-NH1 2.77Å; D358-R365 PolarHBondContact OD2-NH1 3.45Å
359L90.9Very high76.4Confident36 Ų3685 Ų8519%0.18845%0.449CS..THydrogen-bonded Turntrans-56.4139.5174.2-60.1-176.1000111.2R330 I339 L343 L346 V357 S361R330-L359 PolarHBondContact NH2-O 2.96Å; I339-L359 HydrophobicContact CG2-CD1 3.96Å; L343-L359 HydrophobicContact CD2-CD1 4.44Å; L343-L359 HydrophobicContact CD2-CD2 3.96Å; L343-L359 HydrophobicContact CG-CD1 4.37Å; L343-L359 HydrophobicContact CG-CD2 4.28Å; L346-L359 HydrophobicContact CD1-CD2 3.39Å; V357-L359 PolarHBondContact O-N 3.37Å; L359-S361 PolarHBondContact O-N 3.32Å
360F94.6Very high78.4Confident8 Ų882.6 Ų82.64%0.03544%0.437CS..THydrogen-bonded Turntrans60.522.2-178.3-34.9-72.6000114.3L317 R330 P334 D338 I339 E342 Y362 A363L317-F360 HydrophobicContact CD1-CB 4.43Å; L317-F360 HydrophobicContact CD1-CD1 3.65Å; L317-F360 HydrophobicContact CD1-CD2 4.13Å; L317-F360 HydrophobicContact CD1-CE1 3.87Å; L317-F360 HydrophobicContact CD1-CE2 4.34Å; L317-F360 HydrophobicContact CD1-CG 3.79Å; L317-F360 HydrophobicContact CD1-CZ 4.21Å; R330-F360 PolarHBondContact NH1-O 2.88Å; R330-F360 PolarHBondContact NH2-O 3.36Å; P334-F360 HydrophobicContact CB-CE2 3.66Å; P334-F360 HydrophobicContact CB-CZ 3.79Å; P334-F360 HydrophobicContact CG-CE2 3.92Å; P334-F360 HydrophobicContact CG-CZ 4.5Å; D338-F360 HydrophobicContact CB-CE1 4.19Å; D338-F360 HydrophobicContact CB-CZ 4.12Å; D338-F360 WeakPolarHBondContact O-CE1 3.29Å; D338-F360 WeakPolarHBondContact O-CZ 3.34Å; I339-F360 HydrophobicContact CG1-CE2 4.3Å; I339-F360 HydrophobicContact CG1-CZ 4.11Å; E342-F360 HydrophobicContact CB-CD1 4.45Å; E342-F360 HydrophobicContact CB-CE1 3.82Å; E342-F360 HydrophobicContact CB-CZ 4.33Å; E342-F360 HydrophobicContact CG-CD1 4.06Å; E342-F360 HydrophobicContact CG-CE1 3.95Å; F360-Y362 PolarHBondContact O-N 3.46Å; F360-A363 WeakPolarHBondContact O-CA 3.34Å; F360-A363 WeakPolarHBondContact O-CB 3.4Å; F360-A363 PolarHBondContact O-N 2.93Å
361S93.9Very high80.5Confident36 Ų3683.2 Ų83.225%0.25244%0.442SS..G310 helixtrans-55.4-21.5175.744.30000114.6D358 L359 A363 G364D358-S361 WeakPolarHBondContact O-CB 3.11Å; D358-S361 PolarHBondContact O-N 3.47Å; D358-S361 PolarHBondContact O-OG 3.1Å; L359-S361 PolarHBondContact O-N 3.32Å; S361-A363 VanDerWaalsContact C-N 3.29Å; S361-A363 PolarHBondContact O-N 3.06Å; S361-G364 CarbonylContact O-C 3.56Å; S361-G364 WeakPolarHBondContact O-CA 3.24Å; S361-G364 PolarHBondContact O-N 3.27Å
362Y94.4Very high82.7Confident28 Ų2882.3 Ų82.311%0.1142%0.416CS..G310 helixtrans-66.5-27.8170.457.2-96.8000113.6S84 R310 R313 E342 F360 G364S84-Y362 PolarHBondContact N-O 3.26Å; S84-Y362 VanDerWaalsContact N-O 3.11Å; S84-Y362 PolarHBondContact OG-O 3.02Å; R310-Y362 HydrophobicContact CB-CD2 4.17Å; R310-Y362 HydrophobicContact CB-CE2 3.72Å; R310-Y362 HydrophobicContact CG-CD1 4.46Å; R310-Y362 HydrophobicContact CG-CD2 4.48Å; R310-Y362 HydrophobicContact CG-CE1 3.89Å; R310-Y362 HydrophobicContact CG-CE2 3.92Å; R310-Y362 WeakPolarHBondContact O-CE2 3.4Å; R313-Y362 HydrophobicContact CB-CE2 4.15Å; R313-Y362 WeakPolarHBondContact CB-OH 3.33Å; R313-Y362 WeakPolarHBondContact CD-OH 3.43Å; E342-Y362 HydrophobicContact CG-CE1 4.49Å; E342-Y362 WeakPolarHBondContact OE1-CE1 3.26Å; E342-Y362 WeakPolarHBondContact OE2-CE1 3.37Å; E342-Y362 PolarHBondContact OE2-OH 3.43Å; F360-Y362 PolarHBondContact O-N 3.46Å; Y362-G364 PolarHBondContact O-N 2.85Å
363A96.8Very high85.1Confident0 Ų077.7 Ų77.70%038%0.383CS..G310 helixtrans-88.225.5170.100000111.4Q318 V319 R330 F360 S361Q318-A363 WeakPolarHBondContact CA-O 3.34Å; V319-A363 PolarHBondContact N-O 2.88Å; R330-A363 PolarHBondContact NH1-O 3.25Å; F360-A363 WeakPolarHBondContact O-CA 3.34Å; F360-A363 WeakPolarHBondContact O-CB 3.4Å; F360-A363 PolarHBondContact O-N 2.93Å; S361-A363 VanDerWaalsContact C-N 3.29Å; S361-A363 PolarHBondContact O-N 3.06Å
364G95.8Very high87.2Confident0 Ų071.1 Ų71.10%035%0.348CS..  trans87.1153.3-174.800000112.8Y149 R330 S361 Y362Y149-G364 VanDerWaalsContact CZ-CA 3.42Å; R330-G364 VanDerWaalsContact CZ-O 3.31Å; R330-G364 PolarHBondContact NH1-O 2.9Å; R330-G364 PolarHBondContact NH2-O 3.22Å; S361-G364 CarbonylContact O-C 3.56Å; S361-G364 WeakPolarHBondContact O-CA 3.24Å; S361-G364 PolarHBondContact O-N 3.27Å; Y362-G364 PolarHBondContact O-N 2.85Å
365R95Very high89.5Confident143 Ų14363 Ų6354%0.5431%0.311SS..  trans-93.8142172.3-54.2-166.7167.1-108.510.9109.9Y149 D358Y149-R365 PolarHBondContact OH-N 2.8Å; Y149-R365 PolarHBondContact OH-O 2.85Å; D358-R365 VanDerWaalsContact OD2-CB 3.24Å; D358-R365 WeakPolarHBondContact OD2-CB 3.46Å; D358-R365 WeakPolarHBondContact OD2-CD 3.26Å; D358-R365 WeakPolarHBondContact OD2-CG 3.44Å; D358-R365 IonicContact OD2-CZ 2.78Å; D358-R365 IonicContact OD2-NE 3.12Å; D358-R365 IonicContact OD2-NH1 2.77Å; D358-R365 PolarHBondContact OD2-NH1 3.45Å
366V94.7Very high91.5Very high53 Ų5357.9 Ų57.932%0.32128%0.281SS..  trans-86.7118.2178.1179.60000109.7V319 Q328 K368V319-V366 HydrophobicContact CG1-CG2 4.14Å; V319-V366 HydrophobicContact CG2-CG2 3.68Å; Q328-V366 HydrophobicContact CB-CG1 4.01Å; V366-K368 PolarHBondContact O-N 3.46Å
367L93.4Very high93Very high44 Ų4450.8 Ų50.823%0.2325%0.248CC..  trans-73.3111.9176.3-177.358.7000110.5Q328 D369 K372 A373Q328-L367 VanDerWaalsContact OE1-CB 3.32Å; L367-D369 VanDerWaalsContact C-N 3.26Å; L367-D369 HydrophobicContact CD1-CB 4.22Å; L367-D369 HydrophobicContact CG-CB 4.23Å; L367-D369 PolarHBondContact O-N 2.84Å; L367-K372 HydrophobicContact CD2-CB 4.15Å; L367-K372 HydrophobicContact CD2-CD 4.24Å; L367-K372 HydrophobicContact CD2-CG 3.98Å; L367-A373 HydrophobicContact CD2-CB 4.1Å; L367-A373 HydrophobicContact CG-CB 4.45Å
368K91.9Very high94.3Very high144 Ų14447 Ų4763%0.62623%0.225SC*.SBendtrans-66.1-24.9179.1-63.5-174.4173.9-169.50113.9E356 V366 N370E356-K368 IonicContact OE1-NZ 2.77Å; E356-K368 PolarHBondContact OE1-NZ 2.78Å; E356-K368 IonicContact OE2-NZ 2.6Å; E356-K368 PolarHBondContact OE2-NZ 2.95Å; V366-K368 PolarHBondContact O-N 3.46Å; K368-N370 PolarHBondContact O-N 2.93Å
369D95.2Very high95Very high76 Ų7645.1 Ų45.141%0.40622%0.216SC..  trans-77.999.7173.6-179.9-12000110.2L367 E371 K372 A373L367-D369 VanDerWaalsContact C-N 3.26Å; L367-D369 HydrophobicContact CD1-CB 4.22Å; L367-D369 HydrophobicContact CG-CB 4.23Å; L367-D369 PolarHBondContact O-N 2.84Å; D369-E371 VanDerWaalsContact C-N 3.33Å; D369-E371 PolarHBondContact O-N 3.24Å; D369-E371 PolarHBondContact OD1-N 3.27Å; D369-K372 HydrophobicContact CB-CB 4.06Å; D369-K372 PolarHBondContact OD1-N 2.96Å; D369-K372 WeakPolarHBondContact OD2-CB 3.07Å; D369-A373 WeakPolarHBondContact O-CB 3.42Å; D369-A373 PolarHBondContact O-N 3.15Å
370N95.9Very high95.2Very high84 Ų8443.5 Ų43.545%0.44921%0.208SC..Hα-helixtrans-67.7-29.1-179.5-65.1-45.8000113.3C327 K368 F374C327-N370 WeakPolarHBondContact CB-OD1 3.36Å; K368-N370 PolarHBondContact O-N 2.93Å; N370-F374 VanDerWaalsContact O-CB 3.23Å; N370-F374 WeakPolarHBondContact O-CB 3.24Å; N370-F374 PolarHBondContact O-N 2.98Å
371E94.7Very high95.1Very high145 Ų14544.2 Ų44.268%0.67821%0.212SC*.Hα-helixtrans-75.9-43.5-179.5-179165.8-167.500110.9D369 F374 N375D369-E371 VanDerWaalsContact C-N 3.33Å; D369-E371 PolarHBondContact O-N 3.24Å; D369-E371 PolarHBondContact OD1-N 3.27Å; E371-F374 PolarHBondContact O-N 2.9Å; E371-N375 WeakPolarHBondContact O-CB 3.46Å; E371-N375 PolarHBondContact O-N 2.99Å; E371-N375 PolarHBondContact O-ND2 3.24Å
372K94.6Very high94.9Very high60 Ų6043 Ų4326%0.26120%0.204SC..Hα-helixtrans-65.8-39.3171.2-174.3175.1178.3176.40111.7L367 D369 N375 R376 I381 D386L367-K372 HydrophobicContact CD2-CB 4.15Å; L367-K372 HydrophobicContact CD2-CD 4.24Å; L367-K372 HydrophobicContact CD2-CG 3.98Å; D369-K372 HydrophobicContact CB-CB 4.06Å; D369-K372 PolarHBondContact OD1-N 2.96Å; D369-K372 WeakPolarHBondContact OD2-CB 3.07Å; K372-N375 PolarHBondContact O-N 3.19Å; K372-R376 VanDerWaalsContact O-CB 3.32Å; K372-R376 WeakPolarHBondContact O-CB 3.36Å; K372-R376 WeakPolarHBondContact O-CG 3.36Å; K372-R376 PolarHBondContact O-N 3.03Å; K372-I381 HydrophobicContact CG-CD1 4.11Å; K372-D386 WeakPolarHBondContact CE-OD1 3.32Å; K372-D386 WeakPolarHBondContact CE-OD2 3.49Å; K372-D386 IonicContact NZ-OD1 3.24Å; K372-D386 PolarHBondContact NZ-OD1 3.34Å; K372-D386 IonicContact NZ-OD2 2.7Å; K372-D386 PolarHBondContact NZ-OD2 3.05Å
373A96Very high94.3Very high0 Ų043.3 Ų43.30%021%0.205CC..Hα-helixtrans-60.4-43.9173.300000112.2F321 Q328 L367 D369 R376 A377F321-A373 HydrophobicContact CD2-CB 4.48Å; F321-A373 HydrophobicContact CE2-CB 4.1Å; Q328-A373 HydrophobicContact CG-CB 4.06Å; L367-A373 HydrophobicContact CD2-CB 4.1Å; L367-A373 HydrophobicContact CG-CB 4.45Å; D369-A373 WeakPolarHBondContact O-CB 3.42Å; D369-A373 PolarHBondContact O-N 3.15Å; A373-R376 PolarHBondContact O-N 3.02Å; A373-A377 WeakPolarHBondContact O-CB 3.21Å; A373-A377 PolarHBondContact O-N 2.87Å
374F96.1Very high93.5Very high13 Ų1347.7 Ų47.76%0.05724%0.236CC..Hα-helixtrans-66.4-45.3177.4178.2-132.6000111.8F321 R326 N370 E371 R376 A377 L378 Y393 P394 W435F321-F374 HydrophobicContact CE1-CD2 4.19Å; F321-F374 HydrophobicContact CE2-CB 4.27Å; F321-F374 HydrophobicContact CZ-CB 3.92Å; F321-F374 AromaticContact CZ-CD2 3.77Å; F321-F374 HydrophobicContact CZ-CD2 3.77Å; F321-F374 HydrophobicContact CZ-CG 4.3Å; R326-F374 HydrophobicContact CB-CB 4.44Å; R326-F374 HydrophobicContact CB-CD2 4.16Å; R326-F374 HydrophobicContact CB-CG 4.25Å; R326-F374 HydrophobicContact CG-CD2 4.1Å; R326-F374 HydrophobicContact CG-CE2 4.14Å; R326-F374 VanDerWaalsContact CZ-CZ 3.41Å; R326-F374 VanDerWaalsContact NH1-CE1 3.3Å; R326-F374 VanDerWaalsContact NH1-CZ 3.27Å; N370-F374 VanDerWaalsContact O-CB 3.23Å; N370-F374 WeakPolarHBondContact O-CB 3.24Å; N370-F374 PolarHBondContact O-N 2.98Å; E371-F374 PolarHBondContact O-N 2.9Å; F374-R376 PolarHBondContact O-N 3.05Å; F374-A377 CarbonylContact O-C 3.57Å; F374-A377 PolarHBondContact O-N 2.98Å; F374-A377 VanDerWaalsContact O-N 3.16Å; F374-L378 HydrophobicContact CD1-CD1 4.3Å; F374-L378 HydrophobicContact CD2-CD1 4.25Å; F374-L378 HydrophobicContact CD2-CG 4.17Å; F374-L378 HydrophobicContact CE1-CD1 3.89Å; F374-L378 HydrophobicContact CE2-CD1 3.84Å; F374-L378 HydrophobicContact CE2-CD2 4.05Å; F374-L378 HydrophobicContact CE2-CG 3.9Å; F374-L378 HydrophobicContact CG-CD1 4.47Å; F374-L378 HydrophobicContact CZ-CD1 3.64Å; F374-L378 HydrophobicContact CZ-CD2 4.42Å; F374-L378 HydrophobicContact CZ-CG 4.23Å; F374-L378 WeakPolarHBondContact O-CG 3.04Å; F374-L378 PolarHBondContact O-N 3.18Å; F374-Y393 HydrophobicContact CE1-CD2 4.43Å; F374-Y393 AromaticContact CE1-CE2 3.76Å; F374-Y393 HydrophobicContact CE1-CE2 3.76Å; F374-Y393 HydrophobicContact CZ-CE2 4.44Å; F374-P394 HydrophobicContact CZ-CG 4.29Å; F374-W435 HydrophobicContact CD2-CZ3 4.02Å; F374-W435 AromaticContact CE2-CE3 3.73Å; F374-W435 HydrophobicContact CE2-CE3 3.73Å; F374-W435 HydrophobicContact CE2-CH2 4.46Å; F374-W435 AromaticContact CE2-CZ3 3.6Å; F374-W435 HydrophobicContact CE2-CZ3 3.6Å
375N96Very high92.9Very high35 Ų3552 Ų5219%0.18726%0.259CS..Hα-helixtrans-64.3-37.4176.3-81.7-73.3000113E371 K372 L378 G379 N380 I381E371-N375 WeakPolarHBondContact O-CB 3.46Å; E371-N375 PolarHBondContact O-N 2.99Å; E371-N375 PolarHBondContact O-ND2 3.24Å; K372-N375 PolarHBondContact O-N 3.19Å; N375-L378 CarbonylContact O-C 3.47Å; N375-L378 PolarHBondContact O-N 3.01Å; N375-G379 PolarHBondContact O-N 2.87Å; N375-N380 HydrophobicContact CB-CB 4.16Å; N375-N380 WeakPolarHBondContact O-CB 3.5Å; N375-N380 PolarHBondContact O-N 2.92Å; N375-N380 PolarHBondContact OD1-ND2 3.43Å; N375-I381 HydrophobicContact CB-CD1 3.54Å; N375-I381 HydrophobicContact CB-CG1 3.96Å
376R95.9Very high92.5Very high35 Ų3548 Ų4813%0.13225%0.248CC..Hα-helixtrans-62.3-44.1169.4-80.6-178.6171.9-159.45.6112K372 A373 F374 L378 G379 I381 Y383 D386K372-R376 VanDerWaalsContact O-CB 3.32Å; K372-R376 WeakPolarHBondContact O-CB 3.36Å; K372-R376 WeakPolarHBondContact O-CG 3.36Å; K372-R376 PolarHBondContact O-N 3.03Å; A373-R376 PolarHBondContact O-N 3.02Å; F374-R376 PolarHBondContact O-N 3.05Å; R376-L378 PolarHBondContact O-N 2.86Å; R376-G379 PolarHBondContact O-N 3.46Å; R376-I381 HydrophobicContact CG-CB 3.85Å; R376-I381 HydrophobicContact CG-CG2 3.84Å; R376-Y383 HydrophobicContact CB-CE1 4.13Å; R376-Y383 HydrophobicContact CB-CE2 3.9Å; R376-Y383 HydrophobicContact CG-CE1 4.37Å; R376-Y383 HydrophobicContact CG-CE2 4.45Å; R376-Y383 WeakPolarHBondContact O-CE2 3.19Å; R376-D386 IonicContact CZ-OD1 2.93Å; R376-D386 VanDerWaalsContact CZ-OD1 3.24Å; R376-D386 IonicContact NE-OD1 2.93Å; R376-D386 PolarHBondContact NE-OD1 3.14Å; R376-D386 IonicContact NH2-OD1 3.46Å; R376-D386 PolarHBondContact NH2-OD1 3.27Å; R376-D386 IonicContact NH2-OD2 2.97Å; R376-D386 PolarHBondContact NH2-OD2 2.84Å
377A97.1Very high92.4Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-66.4-24.9175.300000113.4V146 F321 A373 F374 G379 W435V146-A377 PolarHBondContact N-O 2.77Å; V146-A377 WeakPolarHBondContact O-CA 3.48Å; F321-A377 HydrophobicContact CB-CB 4.21Å; F321-A377 HydrophobicContact CD1-CB 3.7Å; F321-A377 HydrophobicContact CD2-CB 3.67Å; F321-A377 HydrophobicContact CE1-CB 3.96Å; F321-A377 HydrophobicContact CE2-CB 3.93Å; F321-A377 HydrophobicContact CG-CB 3.54Å; F321-A377 HydrophobicContact CZ-CB 4.06Å; A373-A377 WeakPolarHBondContact O-CB 3.21Å; A373-A377 PolarHBondContact O-N 2.87Å; F374-A377 CarbonylContact O-C 3.57Å; F374-A377 PolarHBondContact O-N 2.98Å; F374-A377 VanDerWaalsContact O-N 3.16Å; A377-G379 VanDerWaalsContact C-N 3.31Å; A377-W435 HydrophobicContact CB-CH2 4.31Å
378L96.2Very high92.3Very high0 Ų052.6 Ų52.60%027%0.272CS..THydrogen-bonded Turntrans-81.5-0.8167.9-66177.5000113.5R138 F374 N375 R376 N380 Y392 P394 W435R138-L378 PolarHBondContact NH1-O 2.89Å; R138-L378 PolarHBondContact NH2-O 3.43Å; F374-L378 HydrophobicContact CD1-CD1 4.3Å; F374-L378 HydrophobicContact CD2-CD1 4.25Å; F374-L378 HydrophobicContact CD2-CG 4.17Å; F374-L378 HydrophobicContact CE1-CD1 3.89Å; F374-L378 HydrophobicContact CE2-CD1 3.84Å; F374-L378 HydrophobicContact CE2-CD2 4.05Å; F374-L378 HydrophobicContact CE2-CG 3.9Å; F374-L378 HydrophobicContact CG-CD1 4.47Å; F374-L378 HydrophobicContact CZ-CD1 3.64Å; F374-L378 HydrophobicContact CZ-CD2 4.42Å; F374-L378 HydrophobicContact CZ-CG 4.23Å; F374-L378 WeakPolarHBondContact O-CG 3.04Å; F374-L378 PolarHBondContact O-N 3.18Å; N375-L378 CarbonylContact O-C 3.47Å; N375-L378 PolarHBondContact O-N 3.01Å; R376-L378 PolarHBondContact O-N 2.86Å; L378-N380 PolarHBondContact O-N 3.37Å; L378-N380 VanDerWaalsContact O-N 3.17Å; L378-Y392 HydrophobicContact CD2-CD1 4.24Å; L378-Y392 HydrophobicContact CD2-CE1 4.15Å; L378-P394 HydrophobicContact CD1-CG 4.43Å; L378-P394 HydrophobicContact CD2-CG 3.8Å; L378-W435 HydrophobicContact CD2-CD2 4.1Å; L378-W435 HydrophobicContact CD2-CE3 4.3Å; L378-W435 HydrophobicContact CD2-CH2 3.87Å; L378-W435 HydrophobicContact CD2-CZ2 3.64Å; L378-W435 HydrophobicContact CD2-CZ3 4.2Å
379G95.3Very high92.3Very high7 Ų749 Ų497%0.07226%0.259CS..THydrogen-bonded Turntrans62.218.5-176.300000114N375 R376 A377 I381N375-G379 PolarHBondContact O-N 2.87Å; R376-G379 PolarHBondContact O-N 3.46Å; A377-G379 VanDerWaalsContact C-N 3.31Å; G379-I381 VanDerWaalsContact C-N 3.34Å
380N95.5Very high92.1Very high3 Ų347.5 Ų47.52%0.01625%0.251CS..  trans-75.6-28.3174.1-70.3-7.5000111.2N375 L378 I388 I389 D390 Y392N375-N380 HydrophobicContact CB-CB 4.16Å; N375-N380 WeakPolarHBondContact O-CB 3.5Å; N375-N380 PolarHBondContact O-N 2.92Å; N375-N380 PolarHBondContact OD1-ND2 3.43Å; L378-N380 PolarHBondContact O-N 3.37Å; L378-N380 VanDerWaalsContact O-N 3.17Å; N380-I388 CarbonylContact O-C 3.55Å; N380-I388 WeakPolarHBondContact O-CA 3.48Å; N380-I389 PolarHBondContact O-N 3.12Å; N380-D390 WeakPolarHBondContact CA-O 3.32Å; N380-D390 WeakPolarHBondContact CB-O 3.33Å; N380-D390 PolarHBondContact O-N 2.98Å; N380-Y392 PolarHBondContact ND2-O 2.89Å; N380-Y392 PolarHBondContact OD1-N 2.67Å; N380-Y392 PolarHBondContact OD1-O 3.26Å
381I93.7Very high91.9Very high23 Ų2350 Ų5012%0.11827%0.265CS..BIsolated β-bridgetrans-118.1133.6-177.6-64.3174.4000109.5K372 N375 R376 G379 D386 T387 I388K372-I381 HydrophobicContact CG-CD1 4.11Å; N375-I381 HydrophobicContact CB-CD1 3.54Å; N375-I381 HydrophobicContact CB-CG1 3.96Å; R376-I381 HydrophobicContact CG-CB 3.85Å; R376-I381 HydrophobicContact CG-CG2 3.84Å; G379-I381 VanDerWaalsContact C-N 3.34Å; I381-D386 HydrophobicContact CG2-CB 4.31Å; I381-D386 WeakPolarHBondContact CG2-OD1 3.38Å; I381-T387 CarbonylContact C-O 3.59Å; I381-T387 WeakPolarHBondContact CA-O 3.38Å; I381-I388 HydrophobicContact CG1-CG1 4.47Å
382S88.3Confident91.8Very high10 Ų1046.5 Ų46.57%0.0725%0.246CC..  trans-67.9130.2174.9-172.60000112.1S384 D385 D386 T387S382-S384 VanDerWaalsContact C-N 3.32Å; S382-S384 PolarHBondContact O-N 3.06Å; S382-S384 PolarHBondContact OG-OG 3.14Å; S382-D385 VanDerWaalsContact CB-OD1 3.24Å; S382-D385 WeakPolarHBondContact CB-OD1 3.45Å; S382-D385 PolarHBondContact OG-OD1 3.19Å; S382-D386 VanDerWaalsContact O-CA 3.23Å; S382-D386 WeakPolarHBondContact O-CA 3.11Å; S382-D386 PolarHBondContact O-N 3.46Å; S382-T387 WeakPolarHBondContact CB-OG1 3.24Å; S382-T387 PolarHBondContact N-O 2.67Å
383Y83.2Confident91.6Very high34 Ų3448.9 Ų48.913%0.13325%0.254CS..THydrogen-bonded Turntrans-74.7-16.6177-83.1-90.8000114.1S80 V146 A147 P148 R376S80-Y383 WeakPolarHBondContact OG-CD1 3.43Å; V146-Y383 HydrophobicContact CB-CE2 4.06Å; V146-Y383 HydrophobicContact CG1-CD2 4.12Å; V146-Y383 HydrophobicContact CG1-CE2 3.48Å; V146-Y383 VanDerWaalsContact CG1-CE2 3.48Å; A147-Y383 VanDerWaalsContact O-CZ 3.32Å; A147-Y383 PolarHBondContact O-OH 3.14Å; P148-Y383 WeakPolarHBondContact CA-OH 3.48Å; P148-Y383 WeakPolarHBondContact O-CE1 3.37Å; R376-Y383 HydrophobicContact CB-CE1 4.13Å; R376-Y383 HydrophobicContact CB-CE2 3.9Å; R376-Y383 HydrophobicContact CG-CE1 4.37Å; R376-Y383 HydrophobicContact CG-CE2 4.45Å; R376-Y383 WeakPolarHBondContact O-CE2 3.19Å
384S79.6Confident90.8Very high93 Ų9349.5 Ų49.565%0.6526%0.258SS*.THydrogen-bonded Turntrans-84.1-29.7-179.238.40000114.4S382S382-S384 VanDerWaalsContact C-N 3.32Å; S382-S384 PolarHBondContact O-N 3.06Å; S382-S384 PolarHBondContact OG-OG 3.14Å
385D83.6Confident89Confident90 Ų9052.9 Ų52.948%0.48128%0.282SS..THydrogen-bonded Turntrans-151.14.3-162.256.1-54.9000113.5S382 T387S382-D385 VanDerWaalsContact CB-OD1 3.24Å; S382-D385 WeakPolarHBondContact CB-OD1 3.45Å; S382-D385 PolarHBondContact OG-OD1 3.19Å; D385-T387 PolarHBondContact O-N 3.02Å; D385-T387 WeakPolarHBondContact OD2-CB 3.24Å; D385-T387 WeakPolarHBondContact OD2-CG2 3.37Å; D385-T387 PolarHBondContact OD2-OG1 2.93Å
386D86.5Confident86.6Confident60 Ų6057.3 Ų57.332%0.32131%0.31SS..  trans54.917.2-179.9-83.4-44.9000115.8K372 R376 I381 S382K372-D386 WeakPolarHBondContact CE-OD1 3.32Å; K372-D386 WeakPolarHBondContact CE-OD2 3.49Å; K372-D386 IonicContact NZ-OD1 3.24Å; K372-D386 PolarHBondContact NZ-OD1 3.34Å; K372-D386 IonicContact NZ-OD2 2.7Å; K372-D386 PolarHBondContact NZ-OD2 3.05Å; R376-D386 IonicContact CZ-OD1 2.93Å; R376-D386 VanDerWaalsContact CZ-OD1 3.24Å; R376-D386 IonicContact NE-OD1 2.93Å; R376-D386 PolarHBondContact NE-OD1 3.14Å; R376-D386 IonicContact NH2-OD1 3.46Å; R376-D386 PolarHBondContact NH2-OD1 3.27Å; R376-D386 IonicContact NH2-OD2 2.97Å; R376-D386 PolarHBondContact NH2-OD2 2.84Å; I381-D386 HydrophobicContact CG2-CB 4.31Å; I381-D386 WeakPolarHBondContact CG2-OD1 3.38Å; S382-D386 VanDerWaalsContact O-CA 3.23Å; S382-D386 WeakPolarHBondContact O-CA 3.11Å; S382-D386 PolarHBondContact O-N 3.46Å
387T91.6Very high83.7Confident71 Ų7160.9 Ų60.944%0.43634%0.341SS..  trans-68.3144.1172.550.30000111.7I381 S382 D385 I389I381-T387 CarbonylContact C-O 3.59Å; I381-T387 WeakPolarHBondContact CA-O 3.38Å; S382-T387 WeakPolarHBondContact CB-OG1 3.24Å; S382-T387 PolarHBondContact N-O 2.67Å; D385-T387 PolarHBondContact O-N 3.02Å; D385-T387 WeakPolarHBondContact OD2-CB 3.24Å; D385-T387 WeakPolarHBondContact OD2-CG2 3.37Å; D385-T387 PolarHBondContact OD2-OG1 2.93Å; T387-I389 PolarHBondContact O-N 3Å
388I92.5Very high80.6Confident122 Ų12270.2 Ų70.263%0.62638%0.382SS*.BIsolated β-bridgetrans-80.8115.1175.2-58.2173.2000108.3N380 I381 D390N380-I388 CarbonylContact O-C 3.55Å; N380-I388 WeakPolarHBondContact O-CA 3.48Å; I381-I388 HydrophobicContact CG1-CG1 4.47Å; I388-D390 WeakPolarHBondContact CG2-O 3.4Å
389I91Very high77.4Confident69 Ų6977.9 Ų77.935%0.35442%0.423SS..  trans-91.5-37.4178.6-49.2176.6000110.7Y131 N380 T387Y131-I389 HydrophobicContact CD1-CG2 3.81Å; Y131-I389 HydrophobicContact CD2-CG2 4.05Å; Y131-I389 HydrophobicContact CE1-CG2 3.58Å; Y131-I389 HydrophobicContact CE2-CG2 3.87Å; Y131-I389 HydrophobicContact CG-CG2 4.06Å; N380-I389 PolarHBondContact O-N 3.12Å; T387-I389 PolarHBondContact O-N 3Å
390D90.6Very high74.2Confident43 Ų4385.2 Ų85.223%0.2346%0.46CS..  trans-150.3161.4-168.8-152.9-27.1000110.8Y131 N380 I388 Y392Y131-D390 HydrophobicContact CE2-CB 4Å; Y131-D390 WeakPolarHBondContact CE2-OD2 3.4Å; Y131-D390 VanDerWaalsContact OH-CG 3.24Å; Y131-D390 PolarHBondContact OH-OD2 3.32Å; N380-D390 WeakPolarHBondContact CA-O 3.32Å; N380-D390 WeakPolarHBondContact CB-O 3.33Å; N380-D390 PolarHBondContact O-N 2.98Å; I388-D390 WeakPolarHBondContact CG2-O 3.4Å; D390-Y392 PolarHBondContact OD1-N 2.75Å
391N92.2Very high70.9Confident138 Ų13890.8 Ų90.874%0.73850%0.5SS*.  trans-122.129.8178.4-68.6-47.1000111.5Y393N391-Y393 PolarHBondContact O-N 2.97Å
392Y92.6Very high67.8Low70 Ų7097.4 Ų97.428%0.27553%0.532SS..  trans-65.9129.2-178.7170.8-91.2000111.5R138 L378 N380 D390 P394R138-Y392 HydrophobicContact CG-CE2 4.42Å; R138-Y392 VanDerWaalsContact NH1-CD1 3.31Å; L378-Y392 HydrophobicContact CD2-CD1 4.24Å; L378-Y392 HydrophobicContact CD2-CE1 4.15Å; N380-Y392 PolarHBondContact ND2-O 2.89Å; N380-Y392 PolarHBondContact OD1-N 2.67Å; N380-Y392 PolarHBondContact OD1-O 3.26Å; D390-Y392 PolarHBondContact OD1-N 2.75Å; Y392-P394 HydrophobicContact CE1-CB 3.93Å; Y392-P394 HydrophobicContact CE1-CG 4.18Å
393Y89.6Confident64.9Low110 Ų110105.6 Ų105.643%0.43157%0.569SS.*  trans-128.6118.1175-166.1-96000111.6R326 F374 N391 C395R326-Y393 PolarHBondContact NH1-OH 2.89Å; R326-Y393 VanDerWaalsContact NH1-OH 3.11Å; F374-Y393 HydrophobicContact CE1-CD2 4.43Å; F374-Y393 AromaticContact CE1-CE2 3.76Å; F374-Y393 HydrophobicContact CE1-CE2 3.76Å; F374-Y393 HydrophobicContact CZ-CE2 4.44Å; N391-Y393 PolarHBondContact O-N 2.97Å; Y393-C395 VanDerWaalsContact C-N 3.31Å; Y393-C395 HydrophobicContact CD1-CB 3.88Å; Y393-C395 HydrophobicContact CE1-CB 3.68Å; Y393-C395 PolarHBondContact O-N 3.18Å
394P79.2Confident62.5Low14 Ų14109.7 Ų109.79%0.09160%0.597CS.*THydrogen-bonded Turntrans-77.779.6-17932.2-35.1000111F374 L378 Y392 W435F374-P394 HydrophobicContact CZ-CG 4.29Å; L378-P394 HydrophobicContact CD1-CG 4.43Å; L378-P394 HydrophobicContact CD2-CG 3.8Å; Y392-P394 HydrophobicContact CE1-CB 3.93Å; Y392-P394 HydrophobicContact CE1-CG 4.18Å; P394-W435 HydrophobicContact CB-CB 3.63Å; P394-W435 HydrophobicContact CB-CG 3.8Å; P394-W435 HydrophobicContact CG-CB 3.69Å; P394-W435 HydrophobicContact CG-CD2 4.14Å; P394-W435 HydrophobicContact CG-CG 3.71Å
395C58.9Low60Low83 Ų83112.8 Ų112.856%0.56161%0.607SS**THydrogen-bonded Turntrans-171.6-5.2165.5-116.20000115.4Y393 S397Y393-C395 VanDerWaalsContact C-N 3.31Å; Y393-C395 HydrophobicContact CD1-CB 3.88Å; Y393-C395 HydrophobicContact CE1-CB 3.68Å; Y393-C395 PolarHBondContact O-N 3.18Å; C395-S397 VanDerWaalsContact C-N 3.3Å; C395-S397 PolarHBondContact O-N 3.05Å
396T46.3Very low57.4Low128 Ų128111.8 Ų111.879%0.78562%0.617SS**  trans-81.268.1-172.354.40000113.2
397S34.9Very low54.6Low111 Ų111113.5 Ų113.578%0.77664%0.64SS**  trans-134.758.1170.768.60000111.9C395C395-S397 VanDerWaalsContact C-N 3.3Å; C395-S397 PolarHBondContact O-N 3.05Å
398K30.9Very low51.6Low195 Ų195118 Ų11885%0.84866%0.659SS**SBendtrans-119.2118.7157.6-74.7-172.1177.7-177.70107.9
399N28.7Very low48.7Very low162 Ų162120.1 Ų120.187%0.86667%0.67SS**SBendtrans56.280.3171-53.8-3.4000115.4
400D29.7Very low45.8Very low161 Ų161119.4 Ų119.486%0.86168%0.68SS**  trans-144.5130.6141.3-130.8-28.4000111M402D400-M402 PolarHBondContact O-N 3.44Å
401S25.7Very low42.8Very low120 Ų120126.6 Ų126.684%0.83971%0.712SS**  trans-100.473.8-168.258.50000111.7
402M29.1Very low39.8Very low161 Ų161123.9 Ų123.979%0.79370%0.703SS**  trans-106.2125.7169.6-76.5-163.571.200112.4D400 V404D400-M402 PolarHBondContact O-N 3.44Å; M402-V404 PolarHBondContact O-N 3.36Å
403Q26.6Very low36.7Very low182 Ų182125.9 Ų125.985%0.8572%0.723SS**  trans-71.585.3172.8-67.5176.4-13.700110.8N405Q403-N405 PolarHBondContact O-N 3.19Å
404V32.3Very low33.9Very low121 Ų121126.6 Ų126.673%0.73373%0.733SS**  trans-88.595.8168.2-175.40000109M402 G406M402-V404 PolarHBondContact O-N 3.36Å; V404-G406 VanDerWaalsContact C-N 3.29Å; V404-G406 PolarHBondContact O-N 3.08Å
405N28.1Very low31.4Very low158 Ų158134.1 Ų134.185%0.84577%0.767SS**  trans-66.882.4175.3-69.5-32000110.8Q403Q403-N405 PolarHBondContact O-N 3.19Å
406G28.3Very low30Very low68 Ų68135.1 Ų135.170%0.70177%0.771SS**  trans-159.5-0.2-175.900000117.1V404V404-G406 VanDerWaalsContact C-N 3.29Å; V404-G406 PolarHBondContact O-N 3.08Å
407A28.8Very low29Very low96 Ų96137.2 Ų137.279%0.79377%0.769SS**  trans-133.333.1-175.900000114.1
408I26.7Very low28.8Very low165 Ų165138.8 Ų138.885%0.84677%0.766SS**  trans-114.786.6168-53.5178.6000108.3
409I32.9Very low28.6Very low167 Ų167137.4 Ų137.486%0.85676%0.763SS**  trans-117.6114.2164.3-63.2-179.5000107.4
410G29.5Very low28.8Very low54 Ų54133.1 Ų133.156%0.55775%0.745SS**  trans63.870.6156.300000116.8S412G410-S412 PolarHBondContact O-N 3.47Å
411H27.6Very low29Very low195 Ų195131.8 Ų131.890%0.90375%0.748SS**  trans-72.648.8142.8-131.9-75.9000109.9T413H411-T413 PolarHBondContact O-N 2.86Å
412S29Very low30.2Very low80 Ų80128.9 Ų128.956%0.55974%0.737SS**  trans-79105.9174.152.10000107.7G410 I414G410-S412 PolarHBondContact O-N 3.47Å; S412-I414 PolarHBondContact O-N 3.45Å
413T28.8Very low31.8Very low113 Ų113126.1 Ų126.169%0.69373%0.725SS**  trans-70.561.2175.3-510000111H411 Q415H411-T413 PolarHBondContact O-N 2.86Å; T413-Q415 VanDerWaalsContact C-N 3.28Å; T413-Q415 HydrophobicContact CG2-CG 4.13Å; T413-Q415 PolarHBondContact O-N 3.42Å; T413-Q415 VanDerWaalsContact O-N 3.09Å
414I29.8Very low34Very low125 Ų125124.7 Ų124.764%0.64171%0.712SS**  trans-78.589.2163.3-49.6-176.9000105.8S412 T416S412-I414 PolarHBondContact O-N 3.45Å; I414-T416 VanDerWaalsContact CG2-OG1 3.3Å; I414-T416 WeakPolarHBondContact CG2-OG1 3.42Å; I414-T416 PolarHBondContact O-N 3.01Å
415Q26.8Very low36.2Very low172 Ų172119.2 Ų119.280%0.80468%0.679SS**  trans-68.874.7161.9-72-176.1-8.800108.3T413 K417T413-Q415 VanDerWaalsContact C-N 3.28Å; T413-Q415 HydrophobicContact CG2-CG 4.13Å; T413-Q415 PolarHBondContact O-N 3.42Å; T413-Q415 VanDerWaalsContact O-N 3.09Å; Q415-K417 VanDerWaalsContact C-N 3.3Å; Q415-K417 PolarHBondContact O-N 3.36Å
416T29Very low38.8Very low104 Ų104114.5 Ų114.564%0.63865%0.654SS**  trans-65.395.9172-360000107.2I414 M418I414-T416 VanDerWaalsContact CG2-OG1 3.3Å; I414-T416 WeakPolarHBondContact CG2-OG1 3.42Å; I414-T416 PolarHBondContact O-N 3.01Å; T416-M418 HydrophobicContact CG2-CG 4.18Å; T416-M418 PolarHBondContact O-N 2.98Å
417K26.1Very low41.4Very low171 Ų171114.9 Ų114.974%0.74364%0.644SS**  trans-75.949-172.2-161.9-178.4176.2-176.90111.9Q415 Q419Q415-K417 VanDerWaalsContact C-N 3.3Å; Q415-K417 PolarHBondContact O-N 3.36Å; K417-Q419 VanDerWaalsContact CE-OE1 3.26Å; K417-Q419 HydrophobicContact CG-CG 4.45Å; K417-Q419 PolarHBondContact O-N 2.86Å
418M30.6Very low44.1Very low145 Ų145113.6 Ų113.671%0.71462%0.624SS**  trans-75.976.6170.8-72-16375.200109.8T416 S420T416-M418 HydrophobicContact CG2-CG 4.18Å; T416-M418 PolarHBondContact O-N 2.98Å; M418-S420 PolarHBondContact O-N 3.24Å
419Q27.5Very low47Very low166 Ų166105.8 Ų105.878%0.77658%0.584SS**  trans-72.276.5162.4-66.7-179.2-90.700108.8K417K417-Q419 VanDerWaalsContact CE-OE1 3.26Å; K417-Q419 HydrophobicContact CG-CG 4.45Å; K417-Q419 PolarHBondContact O-N 2.86Å
420S32.7Very low49.8Very low71 Ų7199.8 Ų99.850%0.49755%0.553SS.*  trans-137.999.3174.658.40000109.7M418 G422M418-S420 PolarHBondContact O-N 3.24Å; S420-G422 PolarHBondContact O-N 2.97Å
421S32.8Very low52.6Low133 Ų133104.8 Ų104.893%0.9356%0.559SS**  trans-10.8104.8168.151.60000116.3
422G51.2Low55.7Low59 Ų5997.6 Ų97.661%0.60853%0.527SS*.  trans-167.2124171.700000111.8S420S420-G422 PolarHBondContact O-N 2.97Å
423L62.6Low58.8Low104 Ų10495.6 Ų95.655%0.54551%0.513SS..  trans-62.1140.9166.1-67.9159.2000108.6F444 P456L423-F444 HydrophobicContact CB-CE2 3.93Å; L423-F444 HydrophobicContact CB-CZ 4.49Å; L423-F444 WeakPolarHBondContact O-CZ 3.38Å; L423-P456 HydrophobicContact CB-CB 4.11Å; L423-P456 HydrophobicContact CB-CG 4.08Å
424R72.3Confident61.9Low151 Ų15190.3 Ų90.357%0.5748%0.481SS*.  trans-131.8161.6168.5-74.5-163.8-176.2-149.51.8110.1S23 F444S23-R424 PolarHBondContact O-NH1 3.12Å; R424-F444 VanDerWaalsContact C-CE2 3.43Å
425P79.1Confident65.1Low6 Ų684.5 Ų84.54%0.03945%0.451CS..  trans-55.8154.2168-2636.2000112.8Y25 P427 F444Y25-P425 HydrophobicContact CD1-CG 3.77Å; Y25-P425 HydrophobicContact CD2-CG 4.05Å; Y25-P425 HydrophobicContact CE1-CG 3.96Å; Y25-P425 HydrophobicContact CE2-CG 4.24Å; Y25-P425 HydrophobicContact CG-CG 3.83Å; P425-P427 WeakPolarHBondContact O-CD 3.43Å; P425-F444 HydrophobicContact CG-CB 4.42Å; P425-F444 HydrophobicContact CG-CD1 3.91Å; P425-F444 HydrophobicContact CG-CD2 4.24Å; P425-F444 HydrophobicContact CG-CE1 4.25Å; P425-F444 HydrophobicContact CG-CG 3.91Å
426N81.8Confident68.2Low59 Ų5979.8 Ų79.832%0.31643%0.431SS..  trans-63.8118.1174.5177.8-4.9000110.2D428 R429N426-D428 PolarHBondContact O-N 3.12Å; N426-D428 VanDerWaalsContact O-N 3.12Å; N426-D428 PolarHBondContact OD1-N 2.87Å; N426-R429 WeakPolarHBondContact O-CB 3.34Å; N426-R429 PolarHBondContact O-N 3.49Å; N426-R429 VanDerWaalsContact O-N 3.14Å
427P83.5Confident71Confident76 Ų7683.7 Ų83.749%0.49444%0.439SS..G310 helixtrans-64.3-17.1-176.627.3-36.6000114.5P425 R429 L430P425-P427 WeakPolarHBondContact O-CD 3.43Å; P427-R429 PolarHBondContact O-N 2.88Å; P427-L430 WeakPolarHBondContact O-CB 3.42Å; P427-L430 WeakPolarHBondContact O-CG 3.22Å; P427-L430 PolarHBondContact O-N 2.96Å
428D84.7Confident74Confident69 Ų6979 Ų7937%0.36943%0.428SS..G310 helixtrans-68.5-22.1176.3-66-36.3000112.9N426 L430 K431 I432N426-D428 PolarHBondContact O-N 3.12Å; N426-D428 VanDerWaalsContact O-N 3.12Å; N426-D428 PolarHBondContact OD1-N 2.87Å; D428-L430 PolarHBondContact O-N 3.04Å; D428-L430 VanDerWaalsContact O-N 3.14Å; D428-K431 PolarHBondContact O-N 3.27Å; D428-K431 IonicContact OD1-NZ 2.62Å; D428-K431 PolarHBondContact OD1-NZ 3.23Å; D428-I432 HydrophobicContact CB-CD1 4.49Å; D428-I432 PolarHBondContact O-N 3.19Å
429R89.1Confident76.9Confident1 Ų172.9 Ų72.90%0.00440%0.397CS..G310 helixtrans-59.8-20.5171.4-70.8175.163.1-153.3-3.5113.7V26 K72 Y163 D165 N426 P427 Y439 P440V26-R429 HydrophobicContact CG2-CB 4.09Å; K72-R429 WeakPolarHBondContact CD-O 3.44Å; Y163-R429 PolarHBondContact O-NH2 2.8Å; D165-R429 IonicContact OD1-CZ 3.49Å; D165-R429 VanDerWaalsContact OD1-CZ 3.3Å; D165-R429 IonicContact OD1-NH1 2.86Å; D165-R429 PolarHBondContact OD1-NH1 3.29Å; D165-R429 IonicContact OD1-NH2 2.79Å; D165-R429 PolarHBondContact OD1-NH2 2.72Å; D165-R429 IonicContact OD2-CZ 3.53Å; D165-R429 IonicContact OD2-NH1 2.74Å; D165-R429 IonicContact OD2-NH2 2.78Å; N426-R429 WeakPolarHBondContact O-CB 3.34Å; N426-R429 PolarHBondContact O-N 3.49Å; N426-R429 VanDerWaalsContact O-N 3.14Å; P427-R429 PolarHBondContact O-N 2.88Å; R429-Y439 HydrophobicContact CB-CE2 4.23Å; R429-Y439 HydrophobicContact CG-CE2 4.45Å; R429-Y439 PolarHBondContact NE-OH 2.85Å; R429-P440 WeakPolarHBondContact CD-O 3.13Å; R429-P440 HydrophobicContact CG-CB 3.81Å; R429-P440 HydrophobicContact CG-CG 4Å; R429-P440 VanDerWaalsContact CG-O 3.26Å; R429-P440 WeakPolarHBondContact CG-O 3.41Å; R429-P440 PolarHBondContact NE-O 3.4Å
430L90.2Very high79.9Confident41 Ų4166.6 Ų66.622%0.21537%0.371CS..G310 helixtrans-75.1-26.4175.6-55.7176.9000112.6V26 K72 P427 D428V26-L430 HydrophobicContact CG2-CD2 4.47Å; K72-L430 HydrophobicContact CB-CD2 3.7Å; P427-L430 WeakPolarHBondContact O-CB 3.42Å; P427-L430 WeakPolarHBondContact O-CG 3.22Å; P427-L430 PolarHBondContact O-N 2.96Å; D428-L430 PolarHBondContact O-N 3.04Å; D428-L430 VanDerWaalsContact O-N 3.14Å
431K90.1Very high82.6Confident159 Ų15967.3 Ų67.369%0.69137%0.368SS*.THydrogen-bonded Turntrans-98-28.9-171.4-54.9169.8-165.71550113D428D428-K431 PolarHBondContact O-N 3.27Å; D428-K431 IonicContact OD1-NZ 2.62Å; D428-K431 PolarHBondContact OD1-NZ 3.23Å
432I91.7Very high85.1Confident45 Ų4563.5 Ų63.523%0.23134%0.336CS..SBendtrans-92.8134-176.3-57.6166.2000109.1K72 D428 D436 Y439 P440K72-I432 PolarHBondContact NZ-O 3.01Å; D428-I432 HydrophobicContact CB-CD1 4.49Å; D428-I432 PolarHBondContact O-N 3.19Å; I432-D436 HydrophobicContact CG2-CB 3.78Å; I432-Y439 HydrophobicContact CB-CD2 4.29Å; I432-Y439 HydrophobicContact CG2-CD2 4.16Å; I432-P440 HydrophobicContact CD1-CG 4.21Å
433S94.5Very high86.6Confident38 Ų3866.7 Ų66.727%0.26633%0.333SS..  trans-67.4144173173.50000110.6D143 W435 D436D143-S433 WeakPolarHBondContact OD1-CB 3.43Å; D143-S433 PolarHBondContact OD1-OG 2.57Å; D143-S433 WeakPolarHBondContact OD2-CA 3.33Å; S433-W435 PolarHBondContact O-N 3.12Å; S433-W435 VanDerWaalsContact O-N 3.15Å; S433-W435 PolarHBondContact OG-N 2.74Å; S433-D436 WeakPolarHBondContact O-CB 3.41Å; S433-D436 PolarHBondContact O-N 3.02Å; S433-D436 VanDerWaalsContact O-N 3.13Å
434I94.8Very high87.3Confident1 Ų162 Ų621%0.00531%0.308CS..THydrogen-bonded Turntrans-60.7-22.6174.866-173.1000113.2I74 D143 V145 Y163 I323 D436 Y439I74-I434 HydrophobicContact CD1-CD1 4.3Å; I74-I434 HydrophobicContact CD1-CG2 3.61Å; I74-I434 HydrophobicContact CG1-CD1 4.18Å; I74-I434 HydrophobicContact CG1-CG2 3.98Å; I74-I434 HydrophobicContact CG2-CD1 3.58Å; D143-I434 HydrophobicContact CB-CD1 3.8Å; D143-I434 HydrophobicContact CB-CG1 3.93Å; D143-I434 PolarHBondContact OD2-N 2.8Å; V145-I434 HydrophobicContact CG2-CD1 3.66Å; Y163-I434 HydrophobicContact CD1-CB 4.12Å; Y163-I434 HydrophobicContact CD1-CG2 4.17Å; Y163-I434 HydrophobicContact CE1-CB 4.33Å; I323-I434 HydrophobicContact CD1-CB 4.48Å; I323-I434 HydrophobicContact CD1-CD1 3.68Å; I323-I434 HydrophobicContact CD1-CG1 4.05Å; I323-I434 WeakPolarHBondContact CG2-O 3.23Å; I434-D436 VanDerWaalsContact C-N 3.27Å; I434-D436 PolarHBondContact O-N 2.99Å; I434-Y439 HydrophobicContact CG2-CD2 4.19Å; I434-Y439 HydrophobicContact CG2-CE1 4.49Å; I434-Y439 HydrophobicContact CG2-CE2 3.94Å
435W95.1Very high87.4Confident4 Ų455.9 Ų55.92%0.01529%0.285CS..THydrogen-bonded Turntrans-78.1-10.1179.7-63.4111.8000114C144 V145 F321 I323 R326 F374 A377 L378 P394 S433C144-W435 WeakPolarHBondContact O-CZ2 3.38Å; V145-W435 HydrophobicContact CB-CZ2 4.32Å; V145-W435 HydrophobicContact CG1-CH2 4.25Å; V145-W435 HydrophobicContact CG1-CZ2 4.34Å; V145-W435 HydrophobicContact CG2-CH2 4.36Å; V145-W435 HydrophobicContact CG2-CZ2 3.8Å; F321-W435 HydrophobicContact CD1-CZ3 4.48Å; F321-W435 HydrophobicContact CE1-CH2 4.35Å; F321-W435 AromaticContact CE1-CZ3 3.92Å; F321-W435 HydrophobicContact CE1-CZ3 3.92Å; I323-W435 HydrophobicContact CG1-CZ3 4.23Å; I323-W435 HydrophobicContact CG2-CD2 4.38Å; I323-W435 HydrophobicContact CG2-CE3 3.74Å; I323-W435 HydrophobicContact CG2-CZ3 4.08Å; R326-W435 PolarHBondContact NH2-O 3.39Å; F374-W435 HydrophobicContact CD2-CZ3 4.02Å; F374-W435 AromaticContact CE2-CE3 3.73Å; F374-W435 HydrophobicContact CE2-CE3 3.73Å; F374-W435 HydrophobicContact CE2-CH2 4.46Å; F374-W435 AromaticContact CE2-CZ3 3.6Å; F374-W435 HydrophobicContact CE2-CZ3 3.6Å; A377-W435 HydrophobicContact CB-CH2 4.31Å; L378-W435 HydrophobicContact CD2-CD2 4.1Å; L378-W435 HydrophobicContact CD2-CE3 4.3Å; L378-W435 HydrophobicContact CD2-CH2 3.87Å; L378-W435 HydrophobicContact CD2-CZ2 3.64Å; L378-W435 HydrophobicContact CD2-CZ3 4.2Å; P394-W435 HydrophobicContact CB-CB 3.63Å; P394-W435 HydrophobicContact CB-CG 3.8Å; P394-W435 HydrophobicContact CG-CB 3.69Å; P394-W435 HydrophobicContact CG-CD2 4.14Å; P394-W435 HydrophobicContact CG-CG 3.71Å; S433-W435 PolarHBondContact O-N 3.12Å; S433-W435 VanDerWaalsContact O-N 3.15Å; S433-W435 PolarHBondContact OG-N 2.74Å
436D92.6Very high87.2Confident73 Ų7356.1 Ų56.139%0.3929%0.286SS..SBendtrans-80.2135.9175.2-164.4-56.8000110.8I432 S433 I434 S438 Y439I432-D436 HydrophobicContact CG2-CB 3.78Å; S433-D436 WeakPolarHBondContact O-CB 3.41Å; S433-D436 PolarHBondContact O-N 3.02Å; S433-D436 VanDerWaalsContact O-N 3.13Å; I434-D436 VanDerWaalsContact C-N 3.27Å; I434-D436 PolarHBondContact O-N 2.99Å; D436-S438 VanDerWaalsContact CG-OG 3.29Å; D436-S438 PolarHBondContact O-N 2.68Å; D436-S438 VanDerWaalsContact O-N 3.17Å; D436-S438 WeakPolarHBondContact OD1-CB 3.36Å; D436-S438 PolarHBondContact OD1-N 2.9Å; D436-S438 PolarHBondContact OD1-OG 3.29Å; D436-Y439 WeakPolarHBondContact O-CB 3.43Å; D436-Y439 PolarHBondContact O-N 2.94Å; D436-Y439 VanDerWaalsContact O-N 3.1Å
437K88.4Confident86.6Confident186 Ų18656.5 Ų56.581%0.80928%0.283SS*.THydrogen-bonded Turntrans-67.2-13.4179.4-64.4-172.5176.8-173.90113.6
438S89.1Confident85.6Confident73 Ų7357.6 Ų57.651%0.5128%0.277SS..THydrogen-bonded Turntrans-92.20.5174.966.70000114.1D436 P440D436-S438 VanDerWaalsContact CG-OG 3.29Å; D436-S438 PolarHBondContact O-N 2.68Å; D436-S438 VanDerWaalsContact O-N 3.17Å; D436-S438 WeakPolarHBondContact OD1-CB 3.36Å; D436-S438 PolarHBondContact OD1-N 2.9Å; D436-S438 PolarHBondContact OD1-OG 3.29Å; S438-P440 WeakPolarHBondContact O-CD 3.38Å
439Y91.5Very high84.6Confident15 Ų1554.7 Ų54.76%0.05926%0.262CS..  trans-56.2121.2-178.3-176.2-91.3000112.1Y163 R429 I432 I434 D436 I441Y163-Y439 AromaticContact CD1-CD1 3.6Å; Y163-Y439 HydrophobicContact CD1-CD1 3.6Å; Y163-Y439 AromaticContact CD1-CE1 3.7Å; Y163-Y439 HydrophobicContact CD1-CE1 3.7Å; Y163-Y439 HydrophobicContact CD1-CG 4.49Å; Y163-Y439 AromaticContact CE1-CD1 3.75Å; Y163-Y439 HydrophobicContact CE1-CD1 3.75Å; Y163-Y439 HydrophobicContact CE1-CE1 4.32Å; Y163-Y439 HydrophobicContact CE1-CG 4.43Å; Y163-Y439 PolarHBondContact O-OH 3.17Å; Y163-Y439 VanDerWaalsContact O-OH 3.14Å; R429-Y439 HydrophobicContact CB-CE2 4.23Å; R429-Y439 HydrophobicContact CG-CE2 4.45Å; R429-Y439 PolarHBondContact NE-OH 2.85Å; I432-Y439 HydrophobicContact CB-CD2 4.29Å; I432-Y439 HydrophobicContact CG2-CD2 4.16Å; I434-Y439 HydrophobicContact CG2-CD2 4.19Å; I434-Y439 HydrophobicContact CG2-CE1 4.49Å; I434-Y439 HydrophobicContact CG2-CE2 3.94Å; D436-Y439 WeakPolarHBondContact O-CB 3.43Å; D436-Y439 PolarHBondContact O-N 2.94Å; D436-Y439 VanDerWaalsContact O-N 3.1Å; Y439-I441 HydrophobicContact CD1-CG1 4.32Å; Y439-I441 PolarHBondContact O-N 2.87Å
440P89.4Confident83.5Confident34 Ų3464.2 Ų64.222%0.22131%0.307CS..  trans-72.8103.5-177.9-14.227.9000111.5R429 I432 S438R429-P440 WeakPolarHBondContact CD-O 3.13Å; R429-P440 HydrophobicContact CG-CB 3.81Å; R429-P440 HydrophobicContact CG-CG 4Å; R429-P440 VanDerWaalsContact CG-O 3.26Å; R429-P440 WeakPolarHBondContact CG-O 3.41Å; R429-P440 PolarHBondContact NE-O 3.4Å; I432-P440 HydrophobicContact CD1-CG 4.21Å; S438-P440 WeakPolarHBondContact O-CD 3.38Å
441I89.9Confident82.3Confident87 Ų8768.4 Ų68.445%0.44633%0.33SS..  trans-72.6126.3170.7-63176.6000108.8T161 Y163 Y439T161-I441 WeakPolarHBondContact O-CG2 3.14Å; Y163-I441 HydrophobicContact CE1-CD1 4.43Å; Y163-I441 HydrophobicContact CE1-CG1 4.29Å; Y163-I441 HydrophobicContact CE2-CD1 3.89Å; Y163-I441 HydrophobicContact CE2-CG1 4.35Å; Y439-I441 HydrophobicContact CD1-CG1 4.32Å; Y439-I441 PolarHBondContact O-N 2.87Å
442Q86Confident80.9Confident53 Ų5362 Ų6225%0.24831%0.308CS..  trans-140125.2178.8-175.2-176.45.500110.4G162 F444G162-Q442 CarbonylContact C-O 3.59Å; G162-Q442 WeakPolarHBondContact CA-O 3.35Å; G162-Q442 PolarHBondContact O-N 2.88Å; Q442-F444 HydrophobicContact CG-CB 4.34Å; Q442-F444 PolarHBondContact O-N 3.12Å
443K82.5Confident79.4Confident125 Ų12563.2 Ų63.254%0.54332%0.32SS..  trans-85.8106170.4-66.2177-175.1177.80107.6R160 T161 W445R160-K443 VanDerWaalsContact O-CE 3.3Å; R160-K443 WeakPolarHBondContact O-CE 3.35Å; T161-K443 WeakPolarHBondContact O-CE 2.99Å; T161-K443 WeakPolarHBondContact O-CG 3.19Å; K443-W445 HydrophobicContact CB-CZ2 4.08Å; K443-W445 HydrophobicContact CG-CZ2 4.28Å
444F76.8Confident78Confident7 Ų764.3 Ų64.33%0.03132%0.322CS..  trans-129121.6-178.1-176.1-79.2000108.8Y25 Q181 L423 R424 P425 Q442 L446 P456Y25-F444 HydrophobicContact CD1-CD1 4.5Å; Y25-F444 AromaticContact CE1-CD1 3.77Å; Y25-F444 HydrophobicContact CE1-CD1 3.77Å; Y25-F444 AromaticContact CE1-CE1 3.45Å; Y25-F444 HydrophobicContact CE1-CE1 3.45Å; Y25-F444 VanDerWaalsContact CE1-CE1 3.45Å; Y25-F444 HydrophobicContact CE1-CZ 4.42Å; Y25-F444 AromaticContact CZ-CE1 3.65Å; Y25-F444 VanDerWaalsContact OH-CE1 3.3Å; Y25-F444 WeakPolarHBondContact OH-CE1 3.48Å; Q181-F444 PolarHBondContact NE2-O 3.24Å; L423-F444 HydrophobicContact CB-CE2 3.93Å; L423-F444 HydrophobicContact CB-CZ 4.49Å; L423-F444 WeakPolarHBondContact O-CZ 3.38Å; R424-F444 VanDerWaalsContact C-CE2 3.43Å; P425-F444 HydrophobicContact CG-CB 4.42Å; P425-F444 HydrophobicContact CG-CD1 3.91Å; P425-F444 HydrophobicContact CG-CD2 4.24Å; P425-F444 HydrophobicContact CG-CE1 4.25Å; P425-F444 HydrophobicContact CG-CG 3.91Å; Q442-F444 HydrophobicContact CG-CB 4.34Å; Q442-F444 PolarHBondContact O-N 3.12Å; F444-L446 HydrophobicContact CE1-CD2 3.78Å; F444-L446 HydrophobicContact CE1-CG 4.47Å; F444-L446 HydrophobicContact CZ-CD2 4.45Å; F444-P456 HydrophobicContact CE1-CB 4.15Å; F444-P456 HydrophobicContact CE2-CB 4.18Å; F444-P456 HydrophobicContact CZ-CB 3.5Å; F444-P456 VanDerWaalsContact CZ-CB 3.5Å
445W74.4Confident76.7Confident22 Ų2267.2 Ų67.28%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-123.5149.9-172.6-51.6121.8000111.6N159 R180 Q181 K443 P456 V457N159-W445 VanDerWaalsContact O-CH2 3.32Å; N159-W445 WeakPolarHBondContact O-CH2 3.46Å; R180-W445 HydrophobicContact CB-CD2 3.93Å; R180-W445 HydrophobicContact CB-CE3 3.49Å; R180-W445 VanDerWaalsContact CB-CE3 3.49Å; R180-W445 HydrophobicContact CB-CH2 3.82Å; R180-W445 HydrophobicContact CB-CZ2 4.24Å; R180-W445 HydrophobicContact CB-CZ3 3.47Å; R180-W445 VanDerWaalsContact CB-CZ3 3.47Å; R180-W445 HydrophobicContact CG-CD2 4.26Å; R180-W445 HydrophobicContact CG-CE3 4.19Å; R180-W445 HydrophobicContact CG-CH2 3.78Å; R180-W445 HydrophobicContact CG-CZ2 3.86Å; R180-W445 HydrophobicContact CG-CZ3 3.99Å; Q181-W445 HydrophobicContact CG-CE3 4.14Å; K443-W445 HydrophobicContact CB-CZ2 4.08Å; K443-W445 HydrophobicContact CG-CZ2 4.28Å; W445-P456 WeakPolarHBondContact O-CA 3.35Å; W445-V457 PolarHBondContact N-O 2.86Å; W445-V457 PolarHBondContact O-N 3.05Å
446L74Confident75.3Confident10 Ų1069.2 Ų69.25%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-107.3141.2166.1-51.2170.5000110.1F22 Y25 Q181 F444 I454 E455 P456F22-L446 HydrophobicContact CD1-CD1 4.36Å; F22-L446 HydrophobicContact CE1-CD1 3.5Å; F22-L446 VanDerWaalsContact CE1-CD1 3.5Å; F22-L446 HydrophobicContact CZ-CD1 3.88Å; Y25-L446 HydrophobicContact CE1-CD1 4.28Å; Y25-L446 HydrophobicContact CE1-CD2 4.46Å; Q181-L446 VanDerWaalsContact OE1-N 3.07Å; F444-L446 HydrophobicContact CE1-CD2 3.78Å; F444-L446 HydrophobicContact CE1-CG 4.47Å; F444-L446 HydrophobicContact CZ-CD2 4.45Å; L446-I454 HydrophobicContact CB-CG2 3.52Å; L446-I454 HydrophobicContact CD1-CG2 3.6Å; L446-I454 HydrophobicContact CD2-CG2 4.3Å; L446-I454 HydrophobicContact CG-CG2 3.99Å; L446-E455 CarbonylContact C-O 3.57Å; L446-E455 VanDerWaalsContact CA-O 3.29Å; L446-E455 WeakPolarHBondContact CA-O 3.36Å; L446-P456 HydrophobicContact CD2-CB 4.09Å
447R69.4Low73.9Confident67 Ų6766.8 Ų66.825%0.25334%0.337SS..EExtended strand (participates in β ladder)trans-110.9151.4171.1172.8179.4-179.7-138.728.3108.3A198 I454 E455 V457A198-R447 HydrophobicContact CB-CB 4.26Å; A198-R447 HydrophobicContact CB-CG 4.4Å; R447-I454 WeakPolarHBondContact O-CA 3.39Å; R447-E455 HydrophobicContact CB-CG 4.05Å; R447-E455 WeakPolarHBondContact CD-OE1 3.32Å; R447-E455 HydrophobicContact CG-CG 4.45Å; R447-E455 IonicContact CZ-OE1 3.59Å; R447-E455 PolarHBondContact N-O 3.39Å; R447-E455 IonicContact NE-OE1 3.72Å; R447-E455 IonicContact NH1-OE1 2.72Å; R447-E455 PolarHBondContact NH1-OE1 2.68Å; R447-E455 PolarHBondContact O-N 3.36Å; R447-V457 HydrophobicContact CB-CG2 3.56Å; R447-V457 HydrophobicContact CG-CG2 4.48Å
448R62.5Low72.3Confident99 Ų9961 Ų6137%0.37432%0.32SS..EExtended strand (participates in β ladder)trans-88.1115.5165.3-170.8174.2-178.5-132.2-8108.6N12 S199 G452 C453N12-R448 PolarHBondContact O-NH1 3.12Å; S199-R448 PolarHBondContact OG-N 2.77Å; R448-G452 PolarHBondContact NE-O 3.46Å; R448-C453 CarbonylContact C-O 3.58Å; R448-C453 WeakPolarHBondContact CA-O 3.34Å
449S64.7Low70.5Confident9 Ų961.9 Ų61.96%0.06332%0.319CS..  trans-67165.2175.970.80000110.8N451 G452 C453 E455S449-N451 VanDerWaalsContact C-N 3.28Å; S449-N451 VanDerWaalsContact CB-OD1 3.31Å; S449-N451 WeakPolarHBondContact CB-OD1 3.24Å; S449-N451 PolarHBondContact O-N 3.34Å; S449-N451 PolarHBondContact OG-OD1 3.32Å; S449-G452 WeakPolarHBondContact O-CA 3.23Å; S449-G452 PolarHBondContact O-N 2.91Å; S449-C453 PolarHBondContact N-O 3.38Å; S449-C453 WeakPolarHBondContact OG-CB 2.94Å; S449-C453 PolarHBondContact OG-N 2.91Å; S449-C453 PolarHBondContact OG-O 3.37Å; S449-E455 WeakPolarHBondContact CB-OE2 3.37Å
450Q65.4Low68.3Low200 Ų20065.1 Ų65.194%0.93533%0.334SS*.THydrogen-bonded Turntrans-62.2-34-177.4-65.7-176.22.700113.2G452Q450-G452 PolarHBondContact O-N 2.93Å
451N64.4Low65.9Low130 Ų13070.2 Ų70.270%0.69536%0.358SS*.THydrogen-bonded Turntrans-75.75.3171.756.1-36.1000113.7S449 C453S449-N451 VanDerWaalsContact C-N 3.28Å; S449-N451 VanDerWaalsContact CB-OD1 3.31Å; S449-N451 WeakPolarHBondContact CB-OD1 3.24Å; S449-N451 PolarHBondContact O-N 3.34Å; S449-N451 PolarHBondContact OG-OD1 3.32Å; N451-C453 VanDerWaalsContact C-N 3.32Å; N451-C453 PolarHBondContact O-N 2.98Å
452G61.2Low63.2Low24 Ų2468.6 Ų68.625%0.24735%0.354CS..SBendtrans85.4-4.7171.600000115.7R448 S449 Q450R448-G452 PolarHBondContact NE-O 3.46Å; S449-G452 WeakPolarHBondContact O-CA 3.23Å; S449-G452 PolarHBondContact O-N 2.91Å; Q450-G452 PolarHBondContact O-N 2.93Å
453C61.4Low61Low71 Ų7168.4 Ų68.448%0.4836%0.355SS..  trans-66.8165172.6-59.70000111.2R448 S449 N451R448-C453 CarbonylContact C-O 3.58Å; R448-C453 WeakPolarHBondContact CA-O 3.34Å; S449-C453 PolarHBondContact N-O 3.38Å; S449-C453 WeakPolarHBondContact OG-CB 2.94Å; S449-C453 PolarHBondContact OG-N 2.91Å; S449-C453 PolarHBondContact OG-O 3.37Å; N451-C453 VanDerWaalsContact C-N 3.32Å; N451-C453 PolarHBondContact O-N 2.98Å
454I63.4Low58.6Low61 Ų6168.3 Ų68.331%0.31336%0.36SS..EExtended strand (participates in β ladder)trans-108.2117.4179.5-60.3174.9000107.9A15 I17 L194 L446 R447A15-I454 HydrophobicContact CB-CD1 4.22Å; I17-I454 HydrophobicContact CG2-CD1 3.55Å; L194-I454 HydrophobicContact CD2-CD1 4.05Å; L446-I454 HydrophobicContact CB-CG2 3.52Å; L446-I454 HydrophobicContact CD1-CG2 3.6Å; L446-I454 HydrophobicContact CD2-CG2 4.3Å; L446-I454 HydrophobicContact CG-CG2 3.99Å; R447-I454 WeakPolarHBondContact O-CA 3.39Å
455E67.4Low56.5Low62 Ų6270.8 Ų70.829%0.2938%0.379SS..EExtended strand (participates in β ladder)trans-120.9145.5-172.769.5-171.617800111.5L446 R447 S449L446-E455 CarbonylContact C-O 3.57Å; L446-E455 VanDerWaalsContact CA-O 3.29Å; L446-E455 WeakPolarHBondContact CA-O 3.36Å; R447-E455 HydrophobicContact CB-CG 4.05Å; R447-E455 WeakPolarHBondContact CD-OE1 3.32Å; R447-E455 HydrophobicContact CG-CG 4.45Å; R447-E455 IonicContact CZ-OE1 3.59Å; R447-E455 PolarHBondContact N-O 3.39Å; R447-E455 IonicContact NE-OE1 3.72Å; R447-E455 IonicContact NH1-OE1 2.72Å; R447-E455 PolarHBondContact NH1-OE1 2.68Å; R447-E455 PolarHBondContact O-N 3.36Å; S449-E455 WeakPolarHBondContact CB-OE2 3.37Å
456P66Low54.5Low45 Ų4574.7 Ų74.729%0.29240%0.401SS..EExtended strand (participates in β ladder)trans-81.9139.2-179.433.8-35.3000112.7L423 F444 W445 L446L423-P456 HydrophobicContact CB-CB 4.11Å; L423-P456 HydrophobicContact CB-CG 4.08Å; F444-P456 HydrophobicContact CE1-CB 4.15Å; F444-P456 HydrophobicContact CE2-CB 4.18Å; F444-P456 HydrophobicContact CZ-CB 3.5Å; F444-P456 VanDerWaalsContact CZ-CB 3.5Å; W445-P456 WeakPolarHBondContact O-CA 3.35Å; L446-P456 HydrophobicContact CD2-CB 4.09Å
457V64.6Low52.6Low23 Ų2383.1 Ų83.114%0.13944%0.438CS..EExtended strand (participates in β ladder)trans-125.9122.4177.7179.50000108.9W445 R447W445-V457 PolarHBondContact N-O 2.86Å; W445-V457 PolarHBondContact O-N 3.05Å; R447-V457 HydrophobicContact CB-CG2 3.56Å; R447-V457 HydrophobicContact CG-CG2 4.48Å
458S54.1Low50.7Low64 Ų6484.5 Ų84.545%0.44846%0.457SS..SBendtrans-75.6-44.9175.560.60000111.9
459D51.5Low49.2Very low91 Ų9185 Ų8549%0.48748%0.476SS..  trans-129.6122.1-166.4-66.7-81.4000111.9L461 S462D459-L461 PolarHBondContact O-N 2.85Å; D459-S462 PolarHBondContact O-N 3.39Å; D459-S462 PolarHBondContact O-OG 3.48Å
460F45.1Very low47.4Very low84 Ų8489.7 Ų89.737%0.36851%0.509SS..THydrogen-bonded Turntrans-70-16-178-148.5-88.5000113A198 S462 I463A198-F460 HydrophobicContact CB-CE2 4.11Å; F460-S462 PolarHBondContact O-N 2.67Å; F460-I463 HydrophobicContact CD1-CD1 4.45Å; F460-I463 HydrophobicContact CD2-CD1 4.19Å; F460-I463 HydrophobicContact CE1-CD1 4.29Å; F460-I463 HydrophobicContact CE2-CD1 4.04Å; F460-I463 HydrophobicContact CG-CD1 4.4Å; F460-I463 HydrophobicContact CZ-CD1 4.09Å; F460-I463 PolarHBondContact O-N 3.04Å
461L39.7Very low46Very low141 Ų14189.9 Ų89.974%0.73851%0.51SS*.THydrogen-bonded Turntrans-65.3-25.8175.5-69.5170000112.5D459 I463 D464D459-L461 PolarHBondContact O-N 2.85Å; L461-I463 PolarHBondContact O-N 2.58Å; L461-D464 PolarHBondContact O-N 3.31Å
462S32.7Very low44.4Very low52 Ų5293.3 Ų93.336%0.36452%0.518SS..Hα-helixtrans-63.9-27.6178.6-57.60000113.1D459 F460 D464 S465 D466D459-S462 PolarHBondContact O-N 3.39Å; D459-S462 PolarHBondContact O-OG 3.48Å; F460-S462 PolarHBondContact O-N 2.67Å; S462-D464 PolarHBondContact O-N 3.38Å; S462-S465 VanDerWaalsContact CA-OG 3.32Å; S462-S465 WeakPolarHBondContact CA-OG 3.3Å; S462-S465 PolarHBondContact O-N 3.16Å; S462-S465 PolarHBondContact O-OG 3.02Å; S462-D466 PolarHBondContact O-N 3.34Å
463I39.6Very low43.2Very low50 Ų50101.6 Ų101.626%0.25655%0.551SS.*Hα-helixtrans-69.1-23.7-180-61.2175.4000111.6A198 F460 L461A198-I463 HydrophobicContact CB-CD1 4.08Å; F460-I463 HydrophobicContact CD1-CD1 4.45Å; F460-I463 HydrophobicContact CD2-CD1 4.19Å; F460-I463 HydrophobicContact CE1-CD1 4.29Å; F460-I463 HydrophobicContact CE2-CD1 4.04Å; F460-I463 HydrophobicContact CG-CD1 4.4Å; F460-I463 HydrophobicContact CZ-CD1 4.09Å; F460-I463 PolarHBondContact O-N 3.04Å; L461-I463 PolarHBondContact O-N 2.58Å
464D33.1Very low41.9Very low122 Ų122104.2 Ų104.265%0.65256%0.56SS**Hα-helixtrans-85.2-19.8170.4-84.2-27000112.9L461 S462L461-D464 PolarHBondContact O-N 3.31Å; S462-D464 PolarHBondContact O-N 3.38Å
465S31Very low40.7Very low60 Ų60109.2 Ų109.242%0.4258%0.58SS.*Hα-helixtrans-90.6-27.1-176.562.30000114.9S462 F467 S468S462-S465 VanDerWaalsContact CA-OG 3.32Å; S462-S465 WeakPolarHBondContact CA-OG 3.3Å; S462-S465 PolarHBondContact O-N 3.16Å; S462-S465 PolarHBondContact O-OG 3.02Å; S465-F467 PolarHBondContact O-N 2.74Å; S465-S468 PolarHBondContact O-N 2.68Å; S465-S468 VanDerWaalsContact O-N 3.15Å; S465-S468 PolarHBondContact O-OG 3.48Å
466D33Very low39.2Very low104 Ų104113.2 Ų113.256%0.55660%0.603SS**THydrogen-bonded Turntrans-65.11.2-177.7-69.8-4.3000114.1S462S462-D466 PolarHBondContact O-N 3.34Å
467F35.3Very low37.7Very low187 Ų187116.7 Ų116.782%0.8263%0.625SS**THydrogen-bonded Turntrans-1132.8178.3-81.6-82.7000115.1S465S465-F467 PolarHBondContact O-N 2.74Å
468S29.4Very low36.4Very low95 Ų95122.6 Ų122.666%0.66466%0.661SS**SBendtrans-93.8109.1169.458.40000111.2S465 S470S465-S468 PolarHBondContact O-N 2.68Å; S465-S468 VanDerWaalsContact O-N 3.15Å; S465-S468 PolarHBondContact O-OG 3.48Å; S468-S470 PolarHBondContact O-N 2.91Å
469S30.1Very low35.3Very low109 Ų109126.5 Ų126.576%0.76267%0.672SS**  trans-68.5121.7177.853.50000112.7
470S27.8Very low34.4Very low109 Ų109129.7 Ų129.776%0.76268%0.682SS**  trans41.5102.7148.262.50000118.7S468S468-S470 PolarHBondContact O-N 2.91Å
471E34.3Very low33.7Very low203 Ų203130.1 Ų130.195%0.94970%0.696SS**  trans-137.7146.9144-125.6162.9-144.800109.6
472K31Very low33.2Very low202 Ų202129.8 Ų129.888%0.87870%0.699SS**  trans-110.5132.4-170.6-61.1170.9-178.3170.60109.7
473E36.8Very low32.9Very low199 Ų199133.6 Ų133.693%0.9371%0.714SS**  trans-154177.6143.7-123.4168.3-152.800113.2
474N33.7Very low32.4Very low125 Ų125141.4 Ų141.467%0.66874%0.74SS**  -147.2134.1-128.8-156-5000113.7
475K38.5Very low32.1Very low167 Ų167145.4 Ų145.473%0.72675%0.752SS**  trans67.8152.3169.5-60.7154.1-172.41780115.6
476N36.2Very low32Very low146 Ų146150.8 Ų150.878%0.78178%0.775SS**  cis-153.8159.9-12.8-107.2-4.2000109.2
477P35.1Very low31.8Very low117 Ų117153 Ų15376%0.7678%0.782SS**  trans-102.5141.9-171.437-32.4000115.3
478V35.8Very low31.5Very low148 Ų148152.9 Ų152.990%0.89779%0.789SS**  trans-141.4148.4162.2-177.20000111
479E31Very low31.5Very low146 Ų146156.3 Ų156.368%0.68279%0.792SS**  trans-70.1-179.8-166-48.6168.683.500119
480K33.9Very low31.4Very low157 Ų157160.9 Ų160.968%0.68380%0.798SS**  trans93.280.7141.1-82.5153.3-174.1152.80121
481S29.8Very low31.5Very low94 Ų94162.1 Ų162.166%0.65780%0.802SS**  72.5105.8107.269.30000121.8
482T28.4Very low31.3Very low133 Ų133161.5 Ų161.582%0.81680%0.798SS**  82.2146.9129.7-340000120
483I27.9Very low31.4Very low132 Ų132157.5 Ų157.568%0.67780%0.796SS**  trans103.3129.9156.6-56.7-172.9000117.8
484R28.2Very low31Very low214 Ų214154.6 Ų154.681%0.80879%0.792SS**  trans72.796.6161.7-76.7157.6-156.1179.25.4120.6
485K28Very low31Very low206 Ų206154.6 Ų154.690%0.89680%0.8SS**  46.2100.9103.5-168.1-175.3-173-174.10116.2
486L28.4Very low30.7Very low173 Ų173149.7 Ų149.791%0.90680%0.797SS**  trans-128.3154.9166.8-97.8165.9000111.7
487E28.7Very low30.6Very low151 Ų151153.8 Ų153.871%0.70680%0.801SS**  trans-87.8146.6-169.6-55.2178.7136.800113.2K489E487-K489 PolarHBondContact O-N 3.13Å
488L28Very low30.6Very low185 Ų185159.7 Ų159.797%0.96981%0.809SS**  trans-7586.5169.1-86.3159.8000111
489K30.1Very low30.6Very low167 Ų167160 Ų16073%0.72680%0.804SS**  trans-85.2133.4162.1-74.2-176.2-179.9174.60110.2E487E487-K489 PolarHBondContact O-N 3.13Å
490K28Very low30.7Very low205 Ų205160.8 Ų160.889%0.89181%0.812SS**  trans-58.2131-173.8-60.5173.1178.5178.50111.9
491T30.8Very low31.1Very low135 Ų135155.8 Ų155.883%0.82879%0.794SS**  trans-135.6142.9156.148.60000109.6
492H28.8Very low32.1Very low189 Ų189155.3 Ų155.388%0.87579%0.789SS**  trans-79.6141.5176-64.2-104.5000109.6
493S33.1Very low33Very low118 Ų118152.6 Ų152.683%0.82578%0.78SS**  trans-124.3105.3171.6-171.90000110.3
494T29.2Very low34.4Very low139 Ų139149.8 Ų149.885%0.85378%0.776SS**  trans-99.7116171.944.60000109
495C33.5Very low35.5Very low125 Ų125143.8 Ų143.885%0.84576%0.759SS**  trans-121.577.9-179.8-161.70000112.1
496G32.5Very low36.4Very low64 Ų64139 Ų13966%0.6674%0.74SS**  trans-99.9125159.900000109.6R498G496-R498 PolarHBondContact O-N 3.28Å
497R33.3Very low37.6Very low231 Ų231136.7 Ų136.787%0.87273%0.725SS**  trans-62.996.2175.8-80.4-177.3172.1167.1-1.7110.4I499R497-I499 PolarHBondContact O-N 3.15Å
498R34.5Very low38.8Very low241 Ų241132.8 Ų132.891%0.90971%0.714SS**  trans-70.3123.7166.3-82.8-176.6170.2166.3-1.8109.4G496 L500G496-R498 PolarHBondContact O-N 3.28Å; R498-L500 PolarHBondContact O-N 3Å
499I37.1Very low40Very low155 Ų155128.9 Ų128.980%0.79569%0.694SS**  trans-68.7116.9165.2-59.8177.3000107.3R497 V501R497-I499 PolarHBondContact O-N 3.15Å; I499-V501 VanDerWaalsContact C-N 3.33Å; I499-V501 HydrophobicContact CG2-CG2 4.3Å; I499-V501 PolarHBondContact O-N 2.77Å
500L32.8Very low41Very low162 Ų162127.7 Ų127.785%0.84869%0.689SS**  trans-73.786.9174.3-89.3163.6000109.9R498 P502R498-L500 PolarHBondContact O-N 3Å; L500-P502 WeakPolarHBondContact O-CD 3.37Å
501V43Very low42.3Very low53 Ų53123 Ų12332%0.32167%0.673SS.*  trans-71120.2167.7176.40000108.4I499 I505 Q506I499-V501 VanDerWaalsContact C-N 3.33Å; I499-V501 HydrophobicContact CG2-CG2 4.3Å; I499-V501 PolarHBondContact O-N 2.77Å; V501-I505 HydrophobicContact CG1-CB 3.64Å; V501-I505 HydrophobicContact CG1-CG2 3.58Å; V501-Q506 HydrophobicContact CB-CG 4.26Å; V501-Q506 HydrophobicContact CG1-CG 3.95Å; V501-Q506 PolarHBondContact O-NE2 3.41Å
502P49.5Very low43.2Very low83 Ų83121.8 Ų121.854%0.53966%0.661SS.*  trans-53.6145.5179-28.636000113.1L500 A504 I505 Q506L500-P502 WeakPolarHBondContact O-CD 3.37Å; P502-A504 PolarHBondContact O-N 2.6Å; P502-A504 VanDerWaalsContact O-N 3.11Å; P502-I505 PolarHBondContact O-N 2.98Å; P502-Q506 PolarHBondContact O-N 2.93Å
503A47.3Very low43.9Very low76 Ų76121 Ų12163%0.62866%0.655SS**Hα-helixtrans-54.8-36.8-171.900000113.5I505 Q506 Q507A503-I505 VanDerWaalsContact C-N 3.3Å; A503-I505 PolarHBondContact O-N 2.73Å; A503-Q506 PolarHBondContact O-N 2.93Å; A503-Q506 VanDerWaalsContact O-N 3.14Å; A503-Q507 PolarHBondContact O-N 2.6Å
504A57.1Low44.5Very low73 Ų73122 Ų12260%0.60365%0.651SS**Hα-helixtrans-55.6-41.4175.500000113P502 Q507 S508P502-A504 PolarHBondContact O-N 2.6Å; P502-A504 VanDerWaalsContact O-N 3.11Å; A504-Q507 WeakPolarHBondContact O-CB 3.48Å; A504-Q507 PolarHBondContact O-N 3.01Å; A504-S508 PolarHBondContact O-N 3.46Å; A504-S508 VanDerWaalsContact O-N 3.12Å; A504-S508 PolarHBondContact O-OG 2.83Å
505I52Low45.3Very low88 Ų88119.2 Ų119.245%0.45164%0.638SS.*Hα-helixtrans-74.5-33.1179.7-59.7178.4000110.8V501 P502 A503 Q507 S508 L509V501-I505 HydrophobicContact CG1-CB 3.64Å; V501-I505 HydrophobicContact CG1-CG2 3.58Å; P502-I505 PolarHBondContact O-N 2.98Å; A503-I505 VanDerWaalsContact C-N 3.3Å; A503-I505 PolarHBondContact O-N 2.73Å; I505-Q507 VanDerWaalsContact C-N 3.33Å; I505-S508 PolarHBondContact O-N 3.46Å; I505-L509 HydrophobicContact CG2-CD1 4Å; I505-L509 HydrophobicContact CG2-CG 4.43Å; I505-L509 WeakPolarHBondContact O-CB 3.41Å; I505-L509 WeakPolarHBondContact O-CG 3.18Å; I505-L509 PolarHBondContact O-N 3.38Å
506Q47.6Very low45.5Very low107 Ų107119.2 Ų119.250%0.563%0.628SS.*Hα-helixtrans-66.3-35.7172.6-59-169.12500112.1V501 P502 A503 K510V501-Q506 HydrophobicContact CB-CG 4.26Å; V501-Q506 HydrophobicContact CG1-CG 3.95Å; V501-Q506 PolarHBondContact O-NE2 3.41Å; P502-Q506 PolarHBondContact O-N 2.93Å; A503-Q506 PolarHBondContact O-N 2.93Å; A503-Q506 VanDerWaalsContact O-N 3.14Å; Q506-K510 PolarHBondContact O-N 3.46Å
507Q53.7Low45.7Very low124 Ų124121.1 Ų121.158%0.57963%0.631SS**Hα-helixtrans-62.9-50.2174-146.980.2-10.900110.7A503 A504 I505 L509 K510 N511A503-Q507 PolarHBondContact O-N 2.6Å; A504-Q507 WeakPolarHBondContact O-CB 3.48Å; A504-Q507 PolarHBondContact O-N 3.01Å; I505-Q507 VanDerWaalsContact C-N 3.33Å; Q507-L509 PolarHBondContact O-N 2.94Å; Q507-K510 PolarHBondContact O-N 2.84Å; Q507-N511 PolarHBondContact O-N 3.17Å; Q507-N511 VanDerWaalsContact O-N 3.1Å; Q507-N511 PolarHBondContact O-OD1 2.7Å
508S53.7Low45.8Very low69 Ų69116.1 Ų116.148%0.48363%0.626SS.*Hα-helixtrans-61.7-40.3177.4-60.20000113A504 I505 N511 L512A504-S508 PolarHBondContact O-N 3.46Å; A504-S508 VanDerWaalsContact O-N 3.12Å; A504-S508 PolarHBondContact O-OG 2.83Å; I505-S508 PolarHBondContact O-N 3.46Å; S508-N511 PolarHBondContact O-N 2.93Å; S508-L512 WeakPolarHBondContact O-CB 3Å; S508-L512 PolarHBondContact O-N 2.8Å
509L52Low46Very low103 Ų103109.6 Ų109.654%0.53962%0.615SS.*Hα-helixtrans-70.2-28.1177.6-75.4170.8000113.6I505 Q507 K513I505-L509 HydrophobicContact CG2-CD1 4Å; I505-L509 HydrophobicContact CG2-CG 4.43Å; I505-L509 WeakPolarHBondContact O-CB 3.41Å; I505-L509 WeakPolarHBondContact O-CG 3.18Å; I505-L509 PolarHBondContact O-N 3.38Å; Q507-L509 PolarHBondContact O-N 2.94Å; L509-K513 PolarHBondContact O-N 3.17Å
510K52.3Low45.8Very low142 Ų142111.7 Ų111.762%0.61762%0.621SS**Hα-helixtrans-67.7-45.6168.4-84.8-176.5173.4179.90111.3Q506 Q507 L512 K513 N514Q506-K510 PolarHBondContact O-N 3.46Å; Q507-K510 PolarHBondContact O-N 2.84Å; K510-L512 VanDerWaalsContact C-N 3.35Å; K510-L512 PolarHBondContact O-N 2.89Å; K510-K513 PolarHBondContact O-N 3.34Å; K510-K513 VanDerWaalsContact O-N 3.12Å; K510-N514 PolarHBondContact O-N 2.87Å; K510-N514 VanDerWaalsContact O-N 3.12Å
511N55.5Low46Very low107 Ų107111.4 Ų111.457%0.57262%0.619SS**Hα-helixtrans-63.3-41.3-179.4-66.6-2.1000111.6Q507 S508 K513 N514 S515Q507-N511 PolarHBondContact O-N 3.17Å; Q507-N511 VanDerWaalsContact O-N 3.1Å; Q507-N511 PolarHBondContact O-OD1 2.7Å; S508-N511 PolarHBondContact O-N 2.93Å; N511-K513 VanDerWaalsContact C-N 3.31Å; N511-K513 PolarHBondContact O-N 3.28Å; N511-N514 PolarHBondContact O-N 3.16Å; N511-S515 PolarHBondContact O-N 2.92Å; N511-S515 PolarHBondContact O-OG 3.46Å
512L49.1Very low45.5Very low108 Ų108117.5 Ų117.557%0.56564%0.644SS**Hα-helixtrans-67.9-21.1174.2-94.4153.1000114.7S508 K510 S515S508-L512 WeakPolarHBondContact O-CB 3Å; S508-L512 PolarHBondContact O-N 2.8Å; K510-L512 VanDerWaalsContact C-N 3.35Å; K510-L512 PolarHBondContact O-N 2.89Å; L512-S515 PolarHBondContact O-OG 3.5Å
513K44.3Very low44.7Very low174 Ų174122 Ų12276%0.75766%0.658SS**Hα-helixtrans-84.5-29.5173.7-105.2-172.8171.5-172.90113.2L509 K510 N511 S515L509-K513 PolarHBondContact O-N 3.17Å; K510-K513 PolarHBondContact O-N 3.34Å; K510-K513 VanDerWaalsContact O-N 3.12Å; N511-K513 VanDerWaalsContact C-N 3.31Å; N511-K513 PolarHBondContact O-N 3.28Å; K513-S515 VanDerWaalsContact C-N 3.3Å
514N45.3Very low44.2Very low137 Ų137126.8 Ų126.873%0.73367%0.667SS**Hα-helixtrans-82.7-7.5179.5-68.82.1000113.2K510 N511K510-N514 PolarHBondContact O-N 2.87Å; K510-N514 VanDerWaalsContact O-N 3.12Å; N511-N514 PolarHBondContact O-N 3.16Å
515S44.3Very low43.1Very low82 Ų82129.5 Ų129.557%0.57367%0.671SS**THydrogen-bonded Turntrans-101.510.7179.462.70000114.6N511 L512 K513N511-S515 PolarHBondContact O-N 2.92Å; N511-S515 PolarHBondContact O-OG 3.46Å; L512-S515 PolarHBondContact O-OG 3.5Å; K513-S515 VanDerWaalsContact C-N 3.3Å
516I38.3Very low42.5Very low124 Ų124130.5 Ų130.564%0.63669%0.686SS**  trans-123.763.2-179.7-49.3178.9000109.8
517S37.9Very low42.2Very low105 Ų105130.6 Ų130.673%0.73470%0.696SS**  trans-87.6110.4165.338.70000109.5P519S517-P519 WeakPolarHBondContact O-CD 3.23Å
518V35.5Very low41.4Very low125 Ų125135.2 Ų135.276%0.75871%0.714SS**PPolyproline II helixtrans-76.8122.3176.7179.50000109.3
519P38.7Very low40.5Very low104 Ų104143.1 Ų143.168%0.67573%0.733SS**PPolyproline II helixtrans-72.1132.5174.3-14.429.9000110.9S517 I521S517-P519 WeakPolarHBondContact O-CD 3.23Å; P519-I521 HydrophobicContact CB-CG1 4.42Å
520Q31.7Very low39.7Very low199 Ų199143.4 Ų143.493%0.9374%0.741SS**PPolyproline II helixtrans-85.3123.6157.3-72.9-170.3-21.400108.5
521I36.9Very low38.7Very low157 Ų157142.4 Ų142.481%0.80575%0.751SS**  trans-137.7139169.3-60.5-177.9000106.9P519P519-I521 HydrophobicContact CB-CG1 4.42Å
522E33.7Very low37.7Very low180 Ų180145.8 Ų145.884%0.84177%0.768SS**  trans-82.3179.7-174.3-62179.511100112.9
523H32Very low36.8Very low179 Ų179143.5 Ų143.583%0.82977%0.771SS**  trans-49148.1179.9-57.5-91.2000112.9
524Q36Very low36.3Very low175 Ų175143.5 Ų143.582%0.81878%0.778SS**  -157154.153.9-73.5175.7-9.600115.4
525D35.6Very low35.7Very low131 Ų131143.4 Ų143.470%0.70178%0.777SS**  trans52.883.6138.7-59.8-4.2000124.5
526S38.4Very low35.1Very low109 Ų109146.4 Ų146.476%0.76279%0.787SS**  77.8174.6113.4890000119.2
527P40.4Very low34.9Very low108 Ų108145.5 Ų145.570%0.70179%0.792SS**  -138.4166.2-103.638.2-17.8000117.6
528K37.9Very low34.8Very low221 Ų221146.7 Ų146.796%0.96180%0.795SS**  trans-163.6163143.4-104.9141-167.8173.60114.8
529R34Very low34.6Very low236 Ų236146.9 Ų146.989%0.89180%0.796SS**  trans-116.1-178.5-170.1-104.1-174.4-176.1-178.62.2109.5
530P36.6Very low34.6Very low109 Ų109149.6 Ų149.671%0.70881%0.805SS**  cis-140180-24.236.4-16.8000115.7
531C30.1Very low34.7Very low121 Ų121146.9 Ų146.982%0.81880%0.797SS**  trans-22143.3160.7-41.40000122
532L34.1Very low34.6Very low177 Ų177146.6 Ų146.693%0.92780%0.802SS**  trans-170.1148.5140.2-95.5163.1000106.3
533G30.1Very low34.7Very low61 Ų61142.7 Ų142.763%0.62980%0.795SS**  cis128.199.3-8.700000113.4
534L35.6Very low35Very low173 Ų173141.2 Ų141.291%0.90679%0.793SS**  trans-175.6167.7157.2-105.7163.7000113.2
535N30.9Very low35Very low135 Ų135138.9 Ų138.972%0.72279%0.791SS**  trans-114.7176.3-159.7-50.2-39.6000115.1
536N33.7Very low35Very low145 Ų145140.2 Ų140.278%0.77580%0.797SS**  trans97120143.6-70.4-6.2000122.6
537S32.4Very low34.9Very low106 Ų106146.1 Ų146.174%0.74180%0.803SS**  95.6162.8124.371.40000122.3
538T35.5Very low34.7Very low130 Ų130146 Ų14680%0.79880%0.8SS**  trans62.793.8171.751.30000119.8
539V32.9Very low34.6Very low128 Ų128146.2 Ų146.278%0.77680%0.796SS**  0.7135124.9-1770000117
540D37.4Very low34.7Very low161 Ų161138.5 Ų138.586%0.86179%0.789SS**  trans-153.1158.4134.9-128.1-26.6000111.4
541D33.9Very low34.5Very low142 Ų142142 Ų14276%0.75980%0.796SS**  trans-89.9162.1-171.1-86.1-48.3000114.5
542T35.9Very low34.8Very low151 Ų151143.2 Ų143.293%0.92680%0.8SS**  trans-160.2138.6146.9-2.80000111.5
543S34.8Very low34.9Very low99 Ų99142.7 Ų142.769%0.69279%0.793SS**  trans-111.7-169.5-172.162.90000113.6
544D39.3Very low35.2Very low148 Ų148149.4 Ų149.479%0.79181%0.808SS**  trans93.9144.7167.1-52.1-1.9000114.6
545V36.2Very low35.1Very low125 Ų125146.5 Ų146.576%0.75880%0.797SS**  cis-151169.513.476.90000113.4
546L35.9Very low35.3Very low159 Ų159147.9 Ų147.983%0.83280%0.804SS**  trans93.5121.6163.8-73.3160.7000121.5
547R35.7Very low35.5Very low234 Ų234147.7 Ų147.788%0.88380%0.803SS**  trans-104.6-173.3162.5-55.9173.8162-175.4-4.9108.6
548V36.7Very low35.5Very low105 Ų105148.6 Ų148.664%0.63680%0.804SS**  cis-160.1-1793.889.50000110.2
549Y35.2Very low35.9Very low226 Ų226148.8 Ų148.889%0.88681%0.807SS**  trans110.7133.8167.8-66.8-67.3000113.7
550G36.3Very low35.8Very low73 Ų73152.1 Ų152.175%0.75381%0.811SS**  cis-168.5160.9-5.400000110.9
551Q32.8Very low35.7Very low182 Ų182152.1 Ų152.185%0.8581%0.811SS**  trans-80.1160.1-174-63.8162-67.400112.1
552T35.2Very low35.9Very low147 Ų147154.5 Ų154.590%0.90281%0.814SS**  -153177.975.337.30000115
553E35.8Very low35.8Very low167 Ų167153.5 Ų153.578%0.7880%0.803SS**  trans-103.5163.7-164-51.6175135.500114.4
554E36.5Very low35.9Very low201 Ų201160.3 Ų160.394%0.93981%0.814SS**  -160164.9121.7-113.1178.9-169.500110.7
555V34.5Very low35.7Very low112 Ų112159.4 Ų159.468%0.67981%0.809SS**  trans-130.8145.2-154.9175.50000113.3
556L36Very low35.8Very low165 Ų165161.8 Ų161.886%0.86481%0.811SS**  trans-158.4141.6147-112.1158.4000113.5
557D37.6Very low35.7Very low140 Ų140161.7 Ų161.775%0.74981%0.811SS**  trans-61160.4-156.7-64.7-67.7000120.8
558T31.4Very low35.7Very low125 Ų125155.4 Ų155.477%0.76780%0.8SS**  trans-135.8136.9157.445.90000112.1
559P43.8Very low35.3Very low134 Ų134155.4 Ų155.487%0.8781%0.805SS**  trans-83.4129.4174.831.8-32.5000112.3
560K31.3Very low35.1Very low198 Ų198149.5 Ų149.586%0.86180%0.797SS**  trans-82.6148.9179.5-56.8167.5-177.1171.20111.7
561L36.1Very low34.8Very low161 Ų161153.1 Ų153.184%0.84380%0.797SS**  trans-153.8101.4150.5-115170.7000115.3
562K37.1Very low34.7Very low193 Ų193150.9 Ų150.984%0.83980%0.796SS**  trans37.3119.6150.1-67.5178.5-179.6178.70122
563D34.9Very low34.4Very low129 Ų129149.2 Ų149.269%0.6979%0.79SS**  trans-49145.7157.3178.514.7000114.7N565D563-N565 PolarHBondContact OD1-N 2.88Å; D563-N565 PolarHBondContact OD1-ND2 3.37Å
564R35.6Very low34.2Very low243 Ų243146 Ų14692%0.91779%0.792SS**  trans-160.493.8155.3-129.7177.9-174.7-174.20.2113.2
565N34.9Very low34Very low129 Ų129142.4 Ų142.469%0.6979%0.789SS**  trans-65.3132.7162.8-74.9-78.9000111.6D563D563-N565 PolarHBondContact OD1-N 2.88Å; D563-N565 PolarHBondContact OD1-ND2 3.37Å
566H39Very low33.8Very low174 Ų174140.1 Ų140.181%0.80679%0.788SS**  trans-178.3107.9144.2-95.4-56.4000114
567L34.1Very low33.6Very low158 Ų158142.7 Ų142.783%0.82779%0.788SS**  trans63.6162.9137.5-69.4170.6000120.1
568P35Very low33.5Very low101 Ų101145.8 Ų145.866%0.65680%0.795SS**  trans-126.2171.4-137.343.9-33.3000117.5
569S29Very low33.8Very low105 Ų105145.4 Ų145.473%0.73479%0.794SS**  trans52.9112.6148.362.80000119.4
570S30.7Very low33.4Very low103 Ų103146.4 Ų146.472%0.7279%0.791SS**  174.3173.5103.853.30000112.9
571I29.2Very low33.9Very low149 Ų149142.8 Ų142.876%0.76479%0.788SS**  trans78.3116.3145.5-83.7165.6000120.4
572V32.1Very low33.7Very low135 Ų135144.1 Ų144.182%0.81879%0.79SS**  trans81.2141141.7168.20000121.3
573S27.2Very low33.6Very low112 Ų112145.1 Ų145.178%0.78379%0.794SS**  trans-82.7135.9174161.30000111.5
574A31.9Very low33.6Very low100 Ų100143.7 Ų143.783%0.82679%0.794SS**  trans-126145.2162.500000110.3
575S32.2Very low33.6Very low125 Ų125138.4 Ų138.487%0.87478%0.784SS**  trans-110147.3168.8610000109.9
576G31.9Very low33.7Very low63 Ų63138.4 Ų138.465%0.64978%0.784SS**  trans149.1171.3170.300000113.4
577Y31.4Very low33.5Very low220 Ų220136.7 Ų136.786%0.86379%0.785SS**  trans63.287.9169.5-58.2-77000117.9
578F35.2Very low33.6Very low205 Ų205134.3 Ų134.390%0.89978%0.779SS**  -121.7139.4118.9-89.7-86.7000108.1
579P37.8Very low33.7Very low116 Ų116139.3 Ų139.375%0.75379%0.791SS**PPolyproline II helixtrans-84.8155.9-172.933.6-35.5000113.3
580I34.9Very low34.1Very low156 Ų156138.4 Ų138.480%0.879%0.79SS**PPolyproline II helixtrans-103.3134.3167.7-62.1169.9000107.5
581P41.6Very low34.5Very low122 Ų122140.6 Ų140.679%0.79279%0.792SS**PPolyproline II helixtrans-77.9133.1173.931.2-33.1000111.3
582E31.2Very low34.9Very low189 Ų189140.3 Ų140.388%0.88379%0.792SS**PPolyproline II helixtrans-76.9148.9-179.6-60178.5142.200112.8
583K36.5Very low35.2Very low214 Ų214141.5 Ų141.593%0.9379%0.794SS**  trans-137.7153.1149.2-82.7-161.4173.9-176.30110.4
584S35.4Very low35.8Very low98 Ų98139.6 Ų139.669%0.68579%0.785SS**  trans-96.4150.5-15352.10000115.5
585N34.8Very low36.1Very low132 Ų132142.7 Ų142.771%0.70679%0.786SS**  trans65.7147.6144.7-71.247.1000118.6
586D36.4Very low36.2Very low130 Ų130143.9 Ų143.970%0.69578%0.783SS**  cis-146.9152.9-16-81.4-43.4000106.2
587V35.9Very low36.4Very low137 Ų137146.6 Ų146.683%0.8379%0.791SS**  170.315192.5161.80000106.8
588P36.3Very low36.6Very low108 Ų108141.8 Ų141.870%0.70179%0.787SS**  trans-124.9167.7-155.242.7-31000119.5
589K36.3Very low36.8Very low206 Ų206137.7 Ų137.790%0.89678%0.781SS**  trans84.4163.4146.4-87179.9176.5-172.40122.5
590A38.3Very low36.8Very low87 Ų87140.1 Ų140.172%0.71979%0.788SS**  trans85.6131-177.200000115.5
591I37.8Very low36.9Very low148 Ų148140.3 Ų140.376%0.75979%0.79SS**  cis-147.7123.7-7.7-89.9148000103.9
592D38.3Very low36.7Very low143 Ų143142.7 Ų142.777%0.76580%0.796SS**  75149.273.6-79.7-43000116.1
593D38.9Very low36.9Very low160 Ų160140.6 Ų140.686%0.85679%0.791SS**  trans71.7139.1176.5-67.8-28.8000120.5
594A38.8Very low36.9Very low73 Ų73138.2 Ų138.260%0.60379%0.788SS**  cis-161.1138.7-10.400000115.7
595I38.8Very low36.8Very low164 Ų164137.2 Ų137.284%0.84179%0.793SS**  trans75.5139.8140.3-65.3168.7000121.4
596N33Very low36.4Very low151 Ų151142 Ų14281%0.80780%0.801SS**  trans-102.2167.2-176.9-52.8-83000113.2
597S35.8Very low36.1Very low119 Ų119140.8 Ų140.883%0.83280%0.803SS**  trans-156147.9140.2-81.70000112.2
598P36.9Very low35.6Very low119 Ų119142.3 Ų142.377%0.77380%0.801SS**  trans-97.1173-167.739.2-37.1000114.8
599P39.9Very low35.3Very low119 Ų119143.2 Ų143.277%0.77381%0.805SS**  trans-94.2173.7-172.238.5-37.1000114.9
600N36.8Very low34.8Very low167 Ų167139.2 Ų139.289%0.89380%0.803SS**  trans-134.1150.2159.7-84-41.3000109.3
601D36.4Very low34.3Very low160 Ų160146.5 Ų146.586%0.85681%0.811SS**  trans-83.7155.5177.7-60.5-73.6000113
602D38.4Very low33.8Very low172 Ų172144 Ų14492%0.9281%0.808SS**  trans-158.6156144.3-120.3-32.1000110.9
603D35.6Very low33.4Very low146 Ų146142.3 Ų142.378%0.78180%0.804SS**  trans-99.2-173.9-158.9-165.713.4000115.2
604L37Very low33Very low163 Ų163140.7 Ų140.785%0.85380%0.8SS**  trans94.3126.4168.7-51.5171.5000116.9
605G32Very low32.5Very low77 Ų77144.9 Ų144.979%0.79480%0.804SS**  trans153.528.7164.900000120S607G605-S607 PolarHBondContact O-N 2.9Å
606R25.9Very low32Very low233 Ų233147.4 Ų147.488%0.87981%0.805SS**  trans-64.1114.8-175.6-170.9-174.1-167.5-174.66.2113.6
607S30.2Very low31.7Very low104 Ų104149.2 Ų149.273%0.72781%0.806SS**  trans-137.6149.7157.169.80000111.2G605G605-S607 PolarHBondContact O-N 2.9Å
608Q26.4Very low31.3Very low169 Ų169147 Ų14779%0.7979%0.794SS**  trans-99.7120.3-175.7-63-176.913.300111.1
609T30.1Very low30.9Very low127 Ų127149 Ų14978%0.77980%0.799SS**  trans-137.9135.6162.9570000109.8R611T609-R611 PolarHBondContact O-N 2.9Å
610S25.6Very low30.5Very low122 Ų122147.7 Ų147.785%0.85379%0.792SS**  trans-60.9122.2-177.641.80000112.7
611R27.7Very low30.5Very low240 Ų240144 Ų14491%0.90677%0.773SS**  trans-87115.9162.8-77.9-174.6171.2178-2.2109.4T609T609-R611 PolarHBondContact O-N 2.9Å
612S28.1Very low30.3Very low97 Ų97141.4 Ų141.468%0.67876%0.764SS**  trans-62.1163.6168.7-58.80000111.5V614S612-V614 PolarHBondContact O-N 3.45Å
613P30Very low30.2Very low106 Ų106138.5 Ų138.569%0.68874%0.743SS**  trans-56.6130.1-177.9-24.934.8000112.4F615P613-F615 PolarHBondContact O-N 3.47Å
614V29.4Very low30.1Very low126 Ų126141.6 Ų141.676%0.76474%0.744SS**  trans-73.4106.3173.3177.40000108.3S612 Y616S612-V614 PolarHBondContact O-N 3.45Å; V614-Y616 PolarHBondContact O-N 3.16Å
615F29.5Very low29.7Very low161 Ų161141.2 Ų141.271%0.70674%0.741SS**  trans-64123.5161.5-79.6-88.1000108.6P613 K617P613-F615 PolarHBondContact O-N 3.47Å; F615-K617 PolarHBondContact O-N 3.24Å
616Y27Very low29.5Very low218 Ų218141.3 Ų141.386%0.85574%0.735SS**  trans-61.6126168.8-97.4-101.3000109.2V614 A618V614-Y616 PolarHBondContact O-N 3.16Å; Y616-A618 PolarHBondContact O-N 3.35Å
617K26.5Very low29.6Very low189 Ų189136.2 Ų136.282%0.82274%0.735SS**  trans-69.980.7162.5-79.9-175.7175174.30109F615 N619F615-K617 PolarHBondContact O-N 3.24Å; K617-N619 PolarHBondContact O-N 3Å
618A28.9Very low29.5Very low71 Ų71137.5 Ų137.559%0.58773%0.729SS**  trans-69.4115.8160.500000107.8Y616 S620Y616-A618 PolarHBondContact O-N 3.35Å; A618-S620 PolarHBondContact O-N 3.03Å
619N28.1Very low29.5Very low163 Ų163135 Ų13587%0.87273%0.731SS**SBendtrans-76.852.8178.8-79.3-13.1000111.7K617K617-N619 PolarHBondContact O-N 3Å
620S32.2Very low29.3Very low91 Ų91138.2 Ų138.264%0.63673%0.73SS**  trans-120.839.2-179.852.90000112.1A618A618-S620 PolarHBondContact O-N 3.03Å
621N35.7Very low29.2Very low90 Ų90139.9 Ų139.948%0.48173%0.728SS.*  trans-118.690.7170.8-169.9-0.1000110.7F623N621-F623 PolarHBondContact O-N 3.49Å
622P33.2Very low29.2Very low104 Ų104134 Ų13468%0.67572%0.723SS**THydrogen-bonded Turntrans-74.316.7-173.731.3-36.1000114.4
623F35.8Very low29.1Very low111 Ų111138.4 Ų138.449%0.48773%0.73SS.*THydrogen-bonded Turntrans-102.88.1-179.2-66.9-78.3000114.1N621 I625N621-F623 PolarHBondContact O-N 3.49Å; F623-I625 VanDerWaalsContact C-N 3.34Å; F623-I625 PolarHBondContact O-N 3.22Å
624R32.2Very low29.2Very low212 Ų212138.3 Ų138.380%0.873%0.731SS**  trans-82.378.1163.2-81.8-170.2170.5-162.6-4.7111
625I29.3Very low29.3Very low154 Ų154141.4 Ų141.479%0.7974%0.735SS**  trans-98.8124158.9-65172.2000106.8F623F623-I625 VanDerWaalsContact C-N 3.34Å; F623-I625 PolarHBondContact O-N 3.22Å
626A28.9Very low29.3Very low79 Ų79140.9 Ų140.965%0.65373%0.734SS**  trans-74.8135175.700000110.5E628A626-E628 VanDerWaalsContact C-N 3.28Å; A626-E628 PolarHBondContact O-N 3.41Å
627S25.9Very low29.5Very low126 Ų126138 Ų13888%0.88173%0.727SS**  trans-82.166.7176.840.80000111.9S629S627-S629 PolarHBondContact O-N 2.92Å
628E28.3Very low29.7Very low131 Ų131134.6 Ų134.661%0.61272%0.721SS**  trans-77.9118170.8-69.1-165.6176.900111.4A626 Y630A626-E628 VanDerWaalsContact C-N 3.28Å; A626-E628 PolarHBondContact O-N 3.41Å; E628-Y630 HydrophobicContact CB-CD2 4.16Å; E628-Y630 HydrophobicContact CB-CE2 3.6Å; E628-Y630 PolarHBondContact O-N 2.92Å; E628-Y630 WeakPolarHBondContact OE2-CE2 3.43Å; E628-Y630 VanDerWaalsContact OE2-CZ 3.32Å; E628-Y630 PolarHBondContact OE2-OH 3.2Å
629S26.3Very low29.8Very low117 Ų117137.1 Ų137.182%0.81873%0.725SS**  trans-89.693.2-178.5560000112S627 L631S627-S629 PolarHBondContact O-N 2.92Å; S629-L631 PolarHBondContact O-N 2.86Å
630Y27.9Very low30.1Very low195 Ų195135 Ų13577%0.76571%0.714SS**  trans-85.799.3172-71.8-80.2000112.2E628E628-Y630 HydrophobicContact CB-CD2 4.16Å; E628-Y630 HydrophobicContact CB-CE2 3.6Å; E628-Y630 PolarHBondContact O-N 2.92Å; E628-Y630 WeakPolarHBondContact OE2-CE2 3.43Å; E628-Y630 VanDerWaalsContact OE2-CZ 3.32Å; E628-Y630 PolarHBondContact OE2-OH 3.2Å
631L22.8Very low30.2Very low156 Ų156137.2 Ų137.282%0.81772%0.718SS**  trans-98.9110.6165.6178.572.2000109S629S629-L631 PolarHBondContact O-N 2.86Å
632C27.7Very low29.9Very low118 Ų118141.3 Ų141.380%0.79773%0.732SS**  trans-129.9143.5171.2-164.40000111.2
633K24.9Very low29.8Very low189 Ų189143 Ų14382%0.82274%0.736SS**  trans-131.797.3-175.5-74-177.1177.7177.90111.9
634S33.2Very low29.4Very low103 Ų103144.3 Ų144.372%0.7275%0.746SS**  trans-163.6107.4159.646.70000107.7
635K30Very low29.2Very low192 Ų192139.1 Ų139.184%0.83574%0.742SS**  63.7125.776.7-98.4-164.5171.6-168.90114.4
636E30.8Very low29.2Very low149 Ų149138 Ų13870%0.69674%0.742SS**  trans70.4142.2163-62-164.5125.200116.8
637K30.2Very low29.2Very low159 Ų159141.4 Ų141.469%0.69175%0.746SS**  cis-174.1159.1-22-121.8177.8-174.6155.30107.5
638V31.3Very low29.4Very low116 Ų116141.9 Ų141.970%0.70374%0.738SS**  trans56.5116.9145.61680000115.9
639D32.1Very low29.5Very low125 Ų125141.7 Ų141.767%0.66874%0.741SS**  cis-176.2176.328.2-124.915.8000113.9
640N33.5Very low29.8Very low119 Ų119142.9 Ų142.964%0.63674%0.739SS**  trans70.197.4150.3-65.9-37.9000123.2
641N34.3Very low30.2Very low137 Ų137141.2 Ų141.273%0.73374%0.738SS**  69131.3120.6-59.5-17.8000124.3
642F29.4Very low30.6Very low175 Ų175143.7 Ų143.777%0.76874%0.736SS**  trans2.8150.7133.8-69.3-97.8000119.2
643D32Very low31Very low141 Ų141146.5 Ų146.575%0.75474%0.735SS**  cis-148.7-173.131-142.6-30.5000115.1
644I27.5Very low31.5Very low138 Ų138142.8 Ų142.871%0.70872%0.724SS**  trans-112.9142.6-163-50.6173.1000113.4
645S26.7Very low31.6Very low102 Ų102147.6 Ų147.671%0.71373%0.728SS**  trans111.2157.1142.582.40000119.9
646V30.1Very low31.8Very low132 Ų132143.3 Ų143.380%0.872%0.722SS**  trans71.5130.4158.6166.90000116.5
647M28Very low31.8Very low150 Ų150140.6 Ų140.674%0.73972%0.72SS**  cis-176.4-179.3-9.4-171.7172.7-177.700107.8
648L31.3Very low31.9Very low136 Ų136140.5 Ų140.571%0.71273%0.725SS**  trans75.5149.9161.7-54.3176.4000116.7
649N28.7Very low31.9Very low126 Ų126141 Ų14167%0.67473%0.728SS**  cis-165.1-168.3-32.9-12218.7000109.5
650D34.4Very low31.6Very low143 Ų143143.8 Ų143.877%0.76574%0.735SS**  trans76.9144.7161.8-54.3-26000117.8
651E35.3Very low31.6Very low160 Ų160144.4 Ų144.475%0.74875%0.748SS**  cis-141.9168.6-8.7-130.2-161.2154.500114.8
652R32Very low31.4Very low207 Ų207141.8 Ų141.878%0.78174%0.741SS**  trans-76.4170.8-161.6-63159.5165161.2-7117.1
653K35.2Very low31.6Very low177 Ų177140.7 Ų140.777%0.7774%0.743SS**  trans129.9144.5131.3-68.7-174.5-174.8169.20113
654D35.5Very low31.6Very low112 Ų112141.8 Ų141.860%0.59975%0.746SS**  cis-155.9156.6-28.8-81.7-40.8000104
655Y35.4Very low31.6Very low204 Ų204144 Ų14480%0.875%0.753SS**  -172145.859.2-111.9-77.9000111.4
656S33.5Very low31.9Very low101 Ų101144.6 Ų144.671%0.70676%0.757SS**  trans39.3139.2146.659.90000123
657S32.3Very low31.9Very low93 Ų93144.9 Ų144.965%0.6576%0.758SS**  cis-178.8162.5-4.350.20000112.8
658I31.6Very low31.9Very low156 Ų156143.2 Ų143.280%0.876%0.76SS**  trans73.4128.3156.1-66.9153.6000117
659V31.4Very low31.7Very low127 Ų127148.7 Ų148.777%0.7777%0.772SS**  cis-151.7153.5-13.3124.80000109
660F26.5Very low31.7Very low184 Ų184153.4 Ų153.481%0.80778%0.78SS**  trans-83.5155.5176.9-99.6-109.8000114
661S33.2Very low31.4Very low131 Ų131151.5 Ų151.592%0.91678%0.778SS**  trans-144.6129.8141.4-174.30000109
662S30Very low31.2Very low83 Ų83150.3 Ų150.358%0.5878%0.776SS**  trans-140.3119.8-166.6550000112.7
663N33.3Very low30.9Very low152 Ų152147.2 Ų147.281%0.81378%0.775SS**  trans-174.6147.3156.5-106.4-31.3000109.1
664M32.7Very low30.7Very low164 Ų164147.1 Ų147.181%0.80878%0.775SS**  cis-126.6164.34.3-65.5-150.379.200112.7
665Q27.8Very low30.5Very low185 Ų185150.1 Ų150.186%0.86478%0.783SS**  trans-93.2137.1166.7-62.7170.9-20.200110.8
666S31.9Very low30.2Very low113 Ų113152.1 Ų152.179%0.7979%0.79SS**  trans-162.3128.9145.9490000113.5
667V29.7Very low29.9Very low138 Ų138151.7 Ų151.784%0.83679%0.787SS**  trans39.799.1145.4-169.20000118.5
668C28.4Very low29.7Very low115 Ų115155.8 Ų155.878%0.77780%0.796SS**  -171.7117.7106-123.80000113.4
669R26.2Very low29.6Very low252 Ų252159.7 Ų159.795%0.95180%0.803SS**  trans-84.9116.3159.3-83.9-175174.1-176.6-0.9108.9
670R30.2Very low29.5Very low225 Ų225163.3 Ų163.385%0.84981%0.808SS**  trans-139.1124.7152.5-85-168.7171160.2-0.5110.1
671S26.7Very low29.7Very low103 Ų103164 Ų16472%0.7281%0.811SS**  trans-67.5142.3160.9-170.60000108.8
672L31.5Very low29.5Very low134 Ų134163.5 Ų163.570%0.70280%0.804SS**  trans-142.795.7169-99.1174.7000109.8F674L672-F674 VanDerWaalsContact C-N 3.33Å; L672-F674 PolarHBondContact O-N 3.27Å
673D27.1Very low29.5Very low143 Ų143166 Ų16677%0.76582%0.82SS**  trans-6290.1164.2-68-74.3000110.3K675D673-K675 PolarHBondContact O-N 3.17Å
674F30.3Very low29.4Very low175 Ų175166.5 Ų166.577%0.76882%0.817SS**  trans-81.187.4179-127-84.5000111.6L672 Y676L672-F674 VanDerWaalsContact C-N 3.33Å; L672-F674 PolarHBondContact O-N 3.27Å; F674-Y676 PolarHBondContact O-N 3.1Å; F674-Y676 VanDerWaalsContact O-N 3.16Å
675K30.1Very low29.2Very low175 Ų175164.5 Ų164.576%0.76182%0.817SS**  trans-54.6115.6174-68.7177.5178.8174.90110.9D673 S677D673-K675 PolarHBondContact O-N 3.17Å; K675-S677 VanDerWaalsContact C-N 3.28Å; K675-S677 PolarHBondContact O-N 2.83Å
676Y29.2Very low29.3Very low246 Ų246163.3 Ų163.397%0.96582%0.815SS**  trans-72.284.5167.4-122.7-94.2000109.8F674F674-Y676 PolarHBondContact O-N 3.1Å; F674-Y676 VanDerWaalsContact O-N 3.16Å
677S27Very low29.1Very low91 Ų91169 Ų16964%0.63682%0.82SS**  trans-146.968.8-171.6176.10000112.6K675K675-S677 VanDerWaalsContact C-N 3.28Å; K675-S677 PolarHBondContact O-N 2.83Å
678Q28.9Very low29.1Very low180 Ų180174 Ų17484%0.84182%0.823SS**  trans-177.585145-107.2-17975.400112.1
679Y30.2Very low28.9Very low238 Ų238176.2 Ų176.293%0.93383%0.827SS**  trans-147.368.7152.8-92.3-68.7000110.4
680K29.7Very low29.2Very low203 Ų203170.2 Ų170.288%0.88382%0.824SS**  trans-134.297.5162.5-93.4-171175.1179.30109.1
681K28.8Very low29.1Very low199 Ų199165.4 Ų165.487%0.86582%0.82SS**  trans-127120.7154.2-80.9-170175.2-177.70107.1
682P30.4Very low29.2Very low119 Ų119167.2 Ų167.277%0.77382%0.821SS**  trans-77129.7172.431.1-31.4000109.3Q684P682-Q684 PolarHBondContact O-N 2.62Å
683C30.2Very low29.3Very low135 Ų135167.8 Ų167.891%0.91282%0.823SS**  trans-75.3107.2167.6-65.90000108.9
684Q31.4Very low29.6Very low164 Ų164168.8 Ų168.877%0.76682%0.823SS**  trans-88.1144.7161.2-74.8-164.8-19.700109.7P682 L686P682-Q684 PolarHBondContact O-N 2.62Å; Q684-L686 PolarHBondContact O-N 2.79Å
685P28.5Very low29.8Very low122 Ų122165 Ų16579%0.79282%0.819SS**  trans-73.9125.6176.330.5-33.2000110.2
686L29.3Very low30.1Very low160 Ų160162.9 Ų162.984%0.83882%0.816SS**  trans-124.998.8173.5-93.9167.9000110.7Q684Q684-L686 PolarHBondContact O-N 2.79Å
687W26.6Very low30.3Very low233 Ų233157.7 Ų157.788%0.88381%0.805SS**  trans-70.1124.9159.4-77.753.3000109.2
688R29.9Very low30.7Very low242 Ų242162.2 Ų162.291%0.91381%0.813SS**  trans-171.1137.9144.7-108.1162.8-161.4-122.52.1111.8
689N25.5Very low31Very low161 Ų161161.9 Ų161.986%0.86181%0.811SS**  trans-74.2147.8165.8-59.5-25.6000110
690S31.2Very low31.2Very low126 Ų126155.2 Ų155.288%0.88180%0.799SS**  -168.3148.5127.5-112.20000112.1
691T28.1Very low31.5Very low124 Ų124153 Ų15376%0.76180%0.797SS**  trans-92.7157.4178.143.60000111.9
692L29.8Very low31.8Very low141 Ų141148.1 Ų148.174%0.73879%0.788SS**  -176.1-171.3109-132.690.4000112.7
693I33.8Very low32.1Very low146 Ų146147.3 Ų147.375%0.74979%0.785SS**  trans76.685.8178.9-48.4178000112
694E33.3Very low32.4Very low165 Ų165147.6 Ų147.677%0.77178%0.778SS**  77.9138.573.8-68.8-175149.800113.4
695S34.9Very low32.4Very low96 Ų96144.2 Ų144.267%0.67177%0.772SS**  cis-156.6168.826.751.90000115.1
696N34.6Very low32.8Very low130 Ų130146.8 Ų146.870%0.69578%0.778SS**  trans85.397.5151.5-67.1-50000123.4
697N35.2Very low32.8Very low137 Ų137148.9 Ų148.973%0.73378%0.781SS**  68.3142.1129.7-62.5-45.4000120.7
698K34.8Very low33.7Very low186 Ų186143.1 Ų143.181%0.80977%0.773SS**  cis-148177.518.7-129164.4-1731790112.5
699Q35.4Very low34Very low172 Ų172139 Ų13980%0.80477%0.77SS**  trans-78.2175.1-168.1-56.8132.5-6300114.3
700S34.5Very low34.4Very low98 Ų98138.5 Ų138.569%0.68577%0.766SS**  cis-167.9148.428.757.70000117
701N34.5Very low34.6Very low156 Ų156140.5 Ų140.583%0.83477%0.767SS**  trans56.2150.1137.7-61.38.1000122.1
702S36.2Very low34.8Very low97 Ų97143.2 Ų143.268%0.67877%0.768SS**  cis-170.6157.9-545.60000113.3
703S37.3Very low35.1Very low102 Ų102142.3 Ų142.371%0.71377%0.774SS**  trans55.2155.4155.937.10000120.9
704D35.5Very low35Very low141 Ų141143.5 Ų143.575%0.75478%0.776SS**  cis-154.8142.2-9.4-104.2-49.3000106
705S31.9Very low35.1Very low93 Ų93141.2 Ų141.265%0.6577%0.774SS**  88.611853.794.70000116.1
706L36.3Very low35Very low177 Ų177145 Ų14593%0.92778%0.781SS**  trans175.1168.2147.8-97.6167.7000112.1
707K30.1Very low34.9Very low204 Ų204145.3 Ų145.389%0.88778%0.781SS**  trans-151.7-176-164.7-111.3-160.4171.5174.90114.2
708P45.8Very low34.9Very low112 Ų112147.8 Ų147.873%0.72779%0.789SS**  trans-109.6-171.4-147.945.8-39000114.7
709D35.9Very low34.8Very low156 Ų156145.8 Ų145.883%0.83479%0.787SS**  trans-152175.6153.5-131.8-33.6000115.5
710L33.5Very low34.8Very low149 Ų149142.7 Ų142.778%0.7878%0.784SS**  trans-119.2163.1-168.9-74.2152.9000113.9
711N34.9Very low35Very low169 Ų169143.6 Ų143.690%0.90479%0.791SS**  -174.8174.7129-101.7-53.7000115.3
712K33.1Very low35.1Very low180 Ų180141 Ų14178%0.78378%0.784SS**  trans-119162.4-170.3-58175.5175.8-178.60114.6
713S35.9Very low35.2Very low123 Ų123141.1 Ų141.186%0.8679%0.785SS**  trans-156.2170.4143.951.10000110.9
714E32.2Very low35.3Very low171 Ų171141.9 Ų141.980%0.79979%0.786SS**  trans-135.9-179.3-165-61.2178.8130.500112.9
715T33.6Very low35.3Very low117 Ų117143 Ų14372%0.71879%0.786SS**  trans111.3114.2152.3-32.80000118.6
716E33Very low35.5Very low176 Ų176143.1 Ų143.182%0.82279%0.787SS**  trans41.6161.8142.2-60.1-179153.200123.5
717L33.3Very low35.2Very low135 Ų135139.8 Ų139.871%0.70778%0.779SS**  cis174.9127.6-41.3-119.5175.3000108.4
718Q35.2Very low35.6Very low190 Ų190135.6 Ų135.689%0.88877%0.772SS**  trans174.8164.4148.1-101.7168.437.600114.4
719D32.8Very low34.9Very low144 Ų144135.4 Ų135.477%0.7777%0.774SS**  trans-103.7166.2-162.8-47.8-89.1000116.2
720S35.5Very low34.6Very low106 Ų106137.6 Ų137.674%0.74178%0.776SS**  161.5146.8106.654.70000117.2
721S37.5Very low34.4Very low118 Ų118137.9 Ų137.983%0.82578%0.778SS**  trans71.9151.6159.584.80000118.1
722S37.7Very low34.3Very low100 Ų100137.3 Ų137.370%0.69978%0.775SS**  cis-155.2162.50.853.10000113
723S38.8Very low34.2Very low100 Ų100133.3 Ų133.370%0.69977%0.769SS**  trans54.4137.8153.250.10000121.6
724T38.8Very low34.2Very low118 Ų118136.2 Ų136.272%0.72477%0.769SS**  cis-157.7-156.9-8.623.50000107.3
725E36.4Very low34.2Very low165 Ų165137.9 Ų137.977%0.77177%0.774SS**  cis-154.4-1436.9-151.3137.8-63.900113.3
726S35Very low34.2Very low95 Ų95138.8 Ų138.866%0.66478%0.779SS**  trans-91.5154.1-172.144.60000114.7
727S30.7Very low34Very low108 Ų108134.6 Ų134.676%0.75577%0.774SS**  cis73.2158.538.2-60.20000113.9
728P38.2Very low34.1Very low115 Ų115133.3 Ų133.375%0.74778%0.776SS**  cis-136.5-166.914.244.4-26.3000116.2
729S30.1Very low34Very low109 Ų109132.4 Ų132.476%0.76277%0.772SS**  trans-102.516917059.90000111.9
730F30.3Very low34.1Very low201 Ų201131.9 Ų131.988%0.88277%0.774SS**  trans-133.9136168.2-105.4-84.6000113.2
731L29.8Very low34.1Very low155 Ų155131.5 Ų131.581%0.81277%0.771SS**  trans-95.3152.7167.5-80.8155.3000109.6
732N32.3Very low34.1Very low157 Ų157130.6 Ų130.684%0.8477%0.765SS**  trans-155.5159.7131.3-127.1-31000112.9
733S31.9Very low34.2Very low96 Ų96133.3 Ų133.367%0.67177%0.771SS**  trans-137.6139.7-170.560.30000111.9
734H35.2Very low34.2Very low184 Ų184133 Ų13385%0.85277%0.766SS**  trans-137134.8162.2-90.5-75.2000111.4
735K31.7Very low33.9Very low207 Ų207135.2 Ų135.290%0.977%0.774SS**  trans-141.3112.7176.9-172.5-176.6-176.3-174.50106.3
736V34.3Very low33.7Very low136 Ų136131.2 Ų131.282%0.82478%0.777SS**  trans-129.5148.8-176.3-179.10000108
737A28.7Very low33.5Very low87 Ų87136.3 Ų136.372%0.71979%0.787SS**  trans-135.7147.5-170.700000113.2
738S34.5Very low33.7Very low108 Ų108139.4 Ų139.476%0.75579%0.793SS**  trans-151.6132.1161.142.80000106
739H34.4Very low33.2Very low172 Ų172139.8 Ų139.880%0.79679%0.794SS**  63.6111.255.3-59-61.4000110.5
740T35.2Very low33.4Very low132 Ų132140.7 Ų140.781%0.8180%0.798SS**  cis-135.3-159.66.655.10000109.6
741S34.4Very low33.6Very low98 Ų98136.8 Ų136.869%0.68579%0.787SS**  cis-158.8159.112.947.90000115
742S36.9Very low33.9Very low99 Ų99139.3 Ų139.369%0.69279%0.785SS**  trans-25.7160.3144.837.60000118.8
743L40.4Very low34Very low157 Ų157139.2 Ų139.282%0.82278%0.784SS**  cis-155.7-16725.8-119.9154.5000110.7
744P39.6Very low34.1Very low94 Ų94139.8 Ų139.861%0.6179%0.788SS**  -130.6173.9-118.948.7-33.2000119.6
745N32.1Very low34Very low164 Ų164139.7 Ų139.788%0.87779%0.788SS**  trans37.6122.6140.7-67.4-20.2000122.3
746G33Very low34.2Very low81 Ų81138.2 Ų138.284%0.83579%0.788SS**  trans-138.1130147.100000111.2
747K30Very low34Very low202 Ų202136.4 Ų136.488%0.87878%0.782SS**  trans-111134.3174.9-74.1-177.8177.8179.40110.4
748I34Very low34.4Very low173 Ų173142.3 Ų142.389%0.88779%0.791SS**  trans-138.1144.4153.8-62.3-174000108.6
749T28.5Very low34.2Very low124 Ų124148.4 Ų148.476%0.76180%0.798SS**  trans-142.9127.5-178.250.70000111.7
750C33.8Very low34.3Very low127 Ų127146 Ų14686%0.85880%0.8SS**  trans-157.8130.8152-86.60000105.7
751D35.8Very low34.4Very low119 Ų119145.4 Ų145.464%0.63680%0.798SS**  cis99.2131.728.7-16538.3000113
752R34.5Very low34.2Very low208 Ų208145.7 Ų145.779%0.78580%0.8SS**  trans65.6148.5177.1-66.3160.1-150-130.3-4.2115.7
753L34.6Very low34.2Very low156 Ų156148 Ų14882%0.81781%0.81SS**  cis-150.5-178.4-2.3-110.9163.9000106.1
754S34.8Very low34Very low108 Ų108148.1 Ų148.176%0.75581%0.806SS**  cis-151.4176.87.441.10000111
755Q33.3Very low33.7Very low182 Ų182150.7 Ų150.785%0.8582%0.815SS**  trans-92.8161.5176.1-57.31703.300112.7
756I35.7Very low34.1Very low175 Ų175147.8 Ų147.890%0.89781%0.805SS**  -160149.3128.7-103.8156.9000109.6
757S30.6Very low34.3Very low99 Ų99152.7 Ų152.769%0.69281%0.806SS**  trans-128.8143.1-171.6171.30000111.6
758K37.1Very low34.6Very low210 Ų210149.8 Ų149.891%0.91381%0.805SS**  trans-139.7126.1152.2-71.2-164.1176.5-1790110.8
759R30.6Very low34.6Very low237 Ų237146.6 Ų146.689%0.89480%0.795SS**  trans-90.6152.8168.3-70172.4166172.9-6.1109.9
760S35.3Very low34.7Very low120 Ų120148.3 Ų148.384%0.83980%0.8SS**  trans-141152147.3-80.10000109.2
761P36.7Very low34.8Very low120 Ų120150.1 Ų150.178%0.77980%0.799SS**  trans-103.9172.1-153.939.6-36.6000116
762S31.7Very low34.7Very low104 Ų104148.9 Ų148.973%0.72781%0.805SS**  trans-68150.5170.351.90000114.2
763V36.5Very low34.7Very low147 Ų147146.8 Ų146.889%0.89181%0.809SS**  trans-123145.1157.1178.50000108
764Q35.6Very low34.6Very low160 Ų160144.8 Ų144.875%0.74881%0.806SS**  trans-118.3154.9-175.9-66176.7-51.700111.8
765N32.8Very low34.4Very low148 Ų148147.9 Ų147.979%0.79181%0.813SS**  trans67.6164.2152.3-73.6-3.9000118.9
766P40.7Very low34.6Very low103 Ų103144 Ų14467%0.66981%0.813SS**  cis-133177-20.227.2-5.3000115.2
767H37.1Very low34.5Very low184 Ų184140.6 Ų140.685%0.85280%0.804SS**  trans30.7113.4148.7-75.8-77.6000121.7
768V36.9Very low34.5Very low141 Ų141142.8 Ų142.886%0.85581%0.807SS**  trans-137.8139.8140.3179.80000106.6
769P35.1Very low34.3Very low107 Ų107140.9 Ų140.970%0.69581%0.806SS**  trans-91.7-179.6-160.637-38.6000115.7
770D30.2Very low34.3Very low159 Ų159134.1 Ų134.185%0.8579%0.787SS**  trans-53.2143.5178.6-57.4-84.8000114.9
771I35.7Very low34.3Very low165 Ų165136.6 Ų136.685%0.84679%0.79SS**  trans-116.1106.6159.7-62.7179.2000107.4
772A32.4Very low34.1Very low93 Ų93137.7 Ų137.777%0.76978%0.783SS**PPolyproline II helixtrans-71.2131.6176.400000111
773L35Very low34.4Very low165 Ų165142 Ų14286%0.86479%0.791SS**PPolyproline II helixtrans-83.8134161.3-78.9168.3000108.9
774P33.5Very low34.3Very low114 Ų114141.2 Ų141.274%0.7478%0.782SS**PPolyproline II helixtrans-74.2138.6-17629.5-34.6000111.9A776P774-A776 PolarHBondContact O-N 2.61Å
775N30.7Very low34.4Very low172 Ų172138.4 Ų138.492%0.9278%0.78SS**PPolyproline II helixtrans-65.8118.4162.3-76.6-36.9000109.1
776A35.8Very low34.4Very low101 Ų101138.2 Ų138.284%0.83578%0.777SS**PPolyproline II helixtrans-99.5123168.900000109.5P774P774-A776 PolarHBondContact O-N 2.61Å
777S33.7Very low34.1Very low103 Ų103137.5 Ų137.572%0.7278%0.775SS**PPolyproline II helixtrans-79.4139.6-172.754.10000113.8
778I31.3Very low34Very low146 Ų146137.4 Ų137.475%0.74977%0.772SS**  42.5123.2126-54.8165000117.7
779L33.3Very low33.8Very low170 Ų170137.7 Ų137.789%0.8977%0.768SS**  -149.1146.2129.2-110171.6000110.6
780D31Very low33.8Very low95 Ų95137.6 Ų137.651%0.50877%0.767SS.*  trans-72.5161.5-172.1-56.5-123.4000114.5K782D780-K782 VanDerWaalsContact OD1-CE 3.25Å; D780-K782 WeakPolarHBondContact OD1-CE 3.4Å; D780-K782 IonicContact OD1-NZ 3.62Å
781L35Very low34Very low171 Ų171135.1 Ų135.190%0.89576%0.762SS**  -152.6152.2106.4-104.9165.2000111.8
782K32.5Very low34Very low144 Ų144134.6 Ų134.663%0.62676%0.761SS**  trans-91.7159.1-165.7-66.5152.3-175.8160.90110.5D780D780-K782 VanDerWaalsContact OD1-CE 3.25Å; D780-K782 WeakPolarHBondContact OD1-CE 3.4Å; D780-K782 IonicContact OD1-NZ 3.62Å
783H37.7Very low34.1Very low193 Ų193137 Ų13789%0.89476%0.761SS**  -148.3153.288.2-108.6-99.3000114.6
784N35.2Very low34.1Very low131 Ų131136.9 Ų136.970%0.70176%0.761SS**  trans-80169.1177.4-67.7-31.6000110.6
785S36.3Very low34.1Very low101 Ų101140.3 Ų140.371%0.70676%0.764SS**  cis-161.2139.743-64.60000117.1
786I32.4Very low34.2Very low144 Ų144137 Ų13774%0.73875%0.754SS**  48.9115.3124.4-51.1167.5000117.7
787S35Very low34.2Very low88 Ų88142.1 Ų142.162%0.61576%0.757SS**  cis96.9149.612.692.60000118.3
788K34.6Very low34.5Very low183 Ų183145.8 Ų145.880%0.79676%0.763SS**  trans90.6156.7160.7-72.1171.4-172-1780117.8
789L34Very low34.8Very low147 Ų147143.7 Ų143.777%0.7776%0.759SS**  cis-131.7-148.3-2.3-126.1-167.7000110.7
790P35.3Very low34.9Very low105 Ų105141.2 Ų141.268%0.68276%0.756SS**  trans-132.9-174-156.946.1-25.3000117.8
791S33.4Very low35Very low107 Ų107145.5 Ų145.575%0.74877%0.772SS**  trans-73.6165.4173.757.60000116.7
792N35.5Very low35Very low154 Ų154143.2 Ų143.282%0.82477%0.771SS**  trans-150.6159.4142.3-127.6-34.5000117.4
793N34.1Very low35Very low142 Ų142145.3 Ų145.376%0.75978%0.78SS**  trans-75.9157.7-163-65.6-94.9000116.8
794L35.6Very low34.8Very low164 Ų164143.7 Ų143.786%0.85978%0.776SS**  trans-148.6149.1139.6-111.8173.1000115.3
795K34Very low34.7Very low185 Ų185143 Ų14380%0.80478%0.782SS**  trans-64.8163.3-176-66.8159.4-174.3170.80112.9
796S32.1Very low34.4Very low102 Ų102141.8 Ų141.871%0.71379%0.785SS**  cis178.1156.9-5.448.30000110.8
797K36.3Very low34.6Very low209 Ų209144.5 Ų144.591%0.90979%0.791SS**  trans-173.1150.5134.6-104161.8-173.6178.60112.9
798H39.6Very low34.5Very low181 Ų181148.4 Ų148.484%0.83881%0.805SS**  trans-110.9-176.8-177.9-82.6-78.3000110.4
799P38.8Very low34.4Very low101 Ų101151.3 Ų151.366%0.65681%0.811SS**  -134.9-175-51.939.8-24.6000111.9
800S34.4Very low34.6Very low119 Ų119149.8 Ų149.883%0.83280%0.803SS**  trans-149.1147.9144.359.20000111.2
801H33.1Very low34.7Very low185 Ų185150 Ų15086%0.85681%0.805SS**  trans-109.2134.5-177.8-79.7-73.7000111.7
802S35.2Very low35.1Very low123 Ų123150.4 Ų150.486%0.8681%0.808SS**  trans-134.3153.7150.261.70000108.9
803K32.7Very low35.7Very low188 Ų188146.1 Ų146.182%0.81779%0.787SS**  trans-131150.2-158.4-130.3179.8-175.3177.10111
804I32.2Very low36.4Very low158 Ų158145.9 Ų145.981%0.8178%0.781SS**  trans71.2104.3160.2-52.7155.4000116.4
805S34.8Very low37.3Very low117 Ų117141.1 Ų141.182%0.81876%0.762SS**  -151133.8106.7670000110
806G29Very low38.5Very low76 Ų76136 Ų13678%0.78475%0.749SS**  trans-93.3119.1-175.700000112.2
807K37.2Very low40.5Very low200 Ų200134.4 Ų134.487%0.8774%0.735SS**  trans-129.2120.1158.9-75.5-172.3176.4-178.70108.6R809K807-R809 PolarHBondContact O-N 3.03Å
808N31.9Very low42.6Very low170 Ų170124.5 Ų124.591%0.90969%0.692SS**  trans-63.6106.7-178.5-67.1-11.3000110.2
809R33.9Very low44.5Very low244 Ų244119.4 Ų119.492%0.92167%0.671SS**PPolyproline II helixtrans-80.7116.6159.5-79.5-171.8172.1-167.2-1.7107.9K807K807-R809 PolarHBondContact O-N 3.03Å
810L37.2Very low46.5Very low115 Ų115116.6 Ų116.660%0.60265%0.654SS**PPolyproline II helixtrans-63.2148.5165.4-81.8157000109.8
811P37.3Very low48.8Very low111 Ų111113.2 Ų113.272%0.72162%0.624SS**PPolyproline II helixtrans-60.4138.5175.7-22.433.7000111.8V813P811-V813 PolarHBondContact O-N 2.7Å; P811-V813 VanDerWaalsContact O-N 3.15Å
812S42.5Very low51.3Low115 Ų115104.6 Ų104.680%0.80458%0.584SS**  trans-72.4105.1175.753.60000110.9
813V48.7Very low53.4Low64 Ų64104.8 Ų104.839%0.38857%0.572SS.*  trans-67.6132175.5-165.90000109.9K101 P811 T817 L818K101-V813 VanDerWaalsContact CE-O 3.24Å; K101-V813 WeakPolarHBondContact CE-O 3.48Å; K101-V813 PolarHBondContact NZ-O 3.16Å; P811-V813 PolarHBondContact O-N 2.7Å; P811-V813 VanDerWaalsContact O-N 3.15Å; V813-T817 WeakPolarHBondContact CG1-OG1 3.33Å; V813-L818 HydrophobicContact CB-CD2 4.07Å; V813-L818 HydrophobicContact CB-CG 4.4Å; V813-L818 HydrophobicContact CG1-CD2 3.78Å; V813-L818 HydrophobicContact CG1-CG 3.9Å
814Q47.7Very low55.5Low136 Ų136102.5 Ų102.564%0.63656%0.562SS**  trans-82.1160.8175.8-65.1177.8-16.900110S816 T817 L818Q814-S816 PolarHBondContact O-N 3.44Å; Q814-T817 PolarHBondContact N-OG1 2.78Å; Q814-T817 VanDerWaalsContact N-OG1 3.08Å; Q814-T817 PolarHBondContact O-N 3.26Å; Q814-T817 PolarHBondContact O-OG1 2.89Å; Q814-L818 PolarHBondContact O-N 3.05Å; Q814-L818 VanDerWaalsContact O-N 3.1Å
815S56Low57.5Low64 Ų6497.4 Ų97.445%0.44853%0.533SS..Hα-helixtrans-55.4-50.7-176.9470000112.3R100 T817 L818 D819R100-S815 PolarHBondContact NH2-O 2.96Å; S815-T817 PolarHBondContact O-N 2.58Å; S815-L818 WeakPolarHBondContact O-CB 3.34Å; S815-L818 PolarHBondContact O-N 2.81Å; S815-D819 PolarHBondContact O-N 3.39Å
816S59.3Low59.1Low78 Ų7896.5 Ų96.555%0.54551%0.514SS..Hα-helixtrans-58.8-27.9176.956.20000114.6Q814 S820Q814-S816 PolarHBondContact O-N 3.44Å; S816-S820 PolarHBondContact O-N 2.83Å
817T73.7Confident60.5Low68 Ų68102 Ų10242%0.41752%0.516SS..Hα-helixtrans-84.6-18.6175.531.80000113.1V813 Q814 S815 F821V813-T817 WeakPolarHBondContact CG1-OG1 3.33Å; Q814-T817 PolarHBondContact N-OG1 2.78Å; Q814-T817 VanDerWaalsContact N-OG1 3.08Å; Q814-T817 PolarHBondContact O-N 3.26Å; Q814-T817 PolarHBondContact O-OG1 2.89Å; S815-T817 PolarHBondContact O-N 2.58Å; T817-F821 VanDerWaalsContact O-CB 3.24Å; T817-F821 WeakPolarHBondContact O-CB 3.49Å; T817-F821 PolarHBondContact O-N 3.42Å
818L79.8Confident61.3Low2 Ų2102.7 Ų102.71%0.0152%0.519CS..Hα-helixtrans-71.9-45167.7-67.2169.9000111.7E97 R100 K101 A104 V813 Q814 S815 S820 F821 F822E97-L818 WeakPolarHBondContact OE1-CD1 3.37Å; R100-L818 HydrophobicContact CG-CD1 4.39Å; K101-L818 HydrophobicContact CD-CD1 4.31Å; K101-L818 HydrophobicContact CG-CD1 3.54Å; K101-L818 HydrophobicContact CG-CD2 4.17Å; K101-L818 HydrophobicContact CG-CG 4.4Å; A104-L818 HydrophobicContact CB-CD2 3.94Å; V813-L818 HydrophobicContact CB-CD2 4.07Å; V813-L818 HydrophobicContact CB-CG 4.4Å; V813-L818 HydrophobicContact CG1-CD2 3.78Å; V813-L818 HydrophobicContact CG1-CG 3.9Å; Q814-L818 PolarHBondContact O-N 3.05Å; Q814-L818 VanDerWaalsContact O-N 3.1Å; S815-L818 WeakPolarHBondContact O-CB 3.34Å; S815-L818 PolarHBondContact O-N 2.81Å; L818-S820 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 2.91Å; L818-F821 CarbonylContact O-C 3.57Å; L818-F821 WeakPolarHBondContact O-CA 3.13Å; L818-F821 WeakPolarHBondContact O-CB 3.47Å; L818-F821 PolarHBondContact O-N 2.92Å; L818-F822 HydrophobicContact CB-CD2 4.34Å; L818-F822 HydrophobicContact CB-CE2 4.03Å; L818-F822 HydrophobicContact CD2-CE2 4.42Å; L818-F822 WeakPolarHBondContact O-CD2 3.04Å; L818-F822 PolarHBondContact O-N 2.99Å
819D79.9Confident62.8Low74 Ų7499.3 Ų99.340%0.39650%0.5SS..Hα-helixtrans-60-43.9177.4-66.8-71.4000110.8R100 S815 F821 F822 Q823R100-D819 IonicContact CZ-OD1 2.93Å; R100-D819 IonicContact CZ-OD2 3.22Å; R100-D819 IonicContact NH1-OD1 3.61Å; R100-D819 PolarHBondContact NH1-OD1 3.29Å; R100-D819 IonicContact NH1-OD2 2.68Å; R100-D819 PolarHBondContact NH1-OD2 2.94Å; R100-D819 IonicContact NH2-OD2 3.6Å; R100-D819 PolarHBondContact NH2-OD2 3.3Å; S815-D819 PolarHBondContact O-N 3.39Å; D819-F821 VanDerWaalsContact C-N 3.34Å; D819-F821 PolarHBondContact O-N 2.9Å; D819-F822 PolarHBondContact O-N 3.44Å; D819-Q823 WeakPolarHBondContact O-CB 3.18Å; D819-Q823 VanDerWaalsContact O-CG 3.24Å; D819-Q823 WeakPolarHBondContact O-CG 3.44Å; D819-Q823 PolarHBondContact O-N 3.18Å
820S80.1Confident64.3Low41 Ų4191.7 Ų91.729%0.28748%0.478SS..Hα-helixtrans-63.4-35.4170.8-169.40000113.4S816 L818 K824S816-S820 PolarHBondContact O-N 2.83Å; L818-S820 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 2.91Å; S820-K824 WeakPolarHBondContact O-CB 3.47Å; S820-K824 WeakPolarHBondContact O-CD 3.5Å; S820-K824 VanDerWaalsContact O-CG 3.26Å; S820-K824 WeakPolarHBondContact O-CG 3.4Å; S820-K824 PolarHBondContact O-N 2.87Å; S820-K824 VanDerWaalsContact O-N 3.08Å; S820-K824 PolarHBondContact OG-NZ 3.25Å
821F83.8Confident65.8Low48 Ų4890.4 Ų90.421%0.21147%0.471CS..Hα-helixtrans-65.2-49.6176.3171-86.6000111.5A104 M108 T817 L818 D819 K824 W825A104-F821 HydrophobicContact CB-CD1 3.78Å; A104-F821 HydrophobicContact CB-CE1 3.56Å; A104-F821 HydrophobicContact CB-CZ 4.14Å; M108-F821 HydrophobicContact CG-CE2 3.61Å; M108-F821 HydrophobicContact CG-CZ 3.67Å; M108-F821 HydrophobicContact SD-CE2 3.86Å; M108-F821 HydrophobicContact SD-CZ 4.35Å; T817-F821 VanDerWaalsContact O-CB 3.24Å; T817-F821 WeakPolarHBondContact O-CB 3.49Å; T817-F821 PolarHBondContact O-N 3.42Å; L818-F821 CarbonylContact O-C 3.57Å; L818-F821 WeakPolarHBondContact O-CA 3.13Å; L818-F821 WeakPolarHBondContact O-CB 3.47Å; L818-F821 PolarHBondContact O-N 2.92Å; D819-F821 VanDerWaalsContact C-N 3.34Å; D819-F821 PolarHBondContact O-N 2.9Å; F821-K824 PolarHBondContact O-N 3.11Å; F821-W825 AromaticContact CZ-CD1 3.75Å; F821-W825 PolarHBondContact O-N 3.39Å
822F84.6Confident67.5Low4 Ų489.2 Ų89.22%0.01846%0.456CS..Hα-helixtrans-68.5-38-179.7-66.6-59.2000112.1A47 L48 R100 A104 L107 F119 L818 D819 K824 W825 K826A47-F822 WeakPolarHBondContact O-CB 3.19Å; L48-F822 HydrophobicContact CD2-CB 4.13Å; L48-F822 HydrophobicContact CD2-CD1 3.88Å; L48-F822 HydrophobicContact CD2-CG 4.44Å; R100-F822 HydrophobicContact CG-CE2 3.56Å; R100-F822 HydrophobicContact CG-CZ 4.02Å; A104-F822 HydrophobicContact CB-CE1 4.03Å; A104-F822 HydrophobicContact CB-CZ 3.71Å; L107-F822 HydrophobicContact CD1-CD1 4.46Å; L107-F822 HydrophobicContact CD1-CE1 4.24Å; F119-F822 HydrophobicContact CE1-CD1 4.16Å; F119-F822 AromaticContact CE1-CE1 3.53Å; F119-F822 HydrophobicContact CE1-CE1 3.53Å; F119-F822 AromaticContact CE1-CZ 3.88Å; F119-F822 HydrophobicContact CE1-CZ 3.88Å; F119-F822 HydrophobicContact CZ-CD1 4.09Å; F119-F822 AromaticContact CZ-CE1 3.62Å; F119-F822 HydrophobicContact CZ-CE1 3.62Å; F119-F822 HydrophobicContact CZ-CZ 4.4Å; L818-F822 HydrophobicContact CB-CD2 4.34Å; L818-F822 HydrophobicContact CB-CE2 4.03Å; L818-F822 HydrophobicContact CD2-CE2 4.42Å; L818-F822 WeakPolarHBondContact O-CD2 3.04Å; L818-F822 PolarHBondContact O-N 2.99Å; D819-F822 PolarHBondContact O-N 3.44Å; F822-K824 VanDerWaalsContact C-N 3.28Å; F822-K824 PolarHBondContact O-N 3.17Å; F822-W825 CarbonylContact O-C 3.59Å; F822-W825 PolarHBondContact O-N 2.91Å; F822-K826 PolarHBondContact O-N 3.39Å
823Q78.5Confident69.1Low128 Ų12887.6 Ų87.660%0.59843%0.434SS*.Hα-helixtrans-60.1-35.6170.8-74.4176.84.700112.8D819 F827D819-Q823 WeakPolarHBondContact O-CB 3.18Å; D819-Q823 VanDerWaalsContact O-CG 3.24Å; D819-Q823 WeakPolarHBondContact O-CG 3.44Å; D819-Q823 PolarHBondContact O-N 3.18Å; Q823-F827 WeakPolarHBondContact O-CD2 3.25Å
824K76.9Confident70.4Confident140 Ų14089.1 Ų89.161%0.60944%0.437SS*.Hα-helixtrans-73.4-32172.1-74.1166.6-177.9164.80112.5S820 F821 F822 F827S820-K824 WeakPolarHBondContact O-CB 3.47Å; S820-K824 WeakPolarHBondContact O-CD 3.5Å; S820-K824 VanDerWaalsContact O-CG 3.26Å; S820-K824 WeakPolarHBondContact O-CG 3.4Å; S820-K824 PolarHBondContact O-N 2.87Å; S820-K824 VanDerWaalsContact O-N 3.08Å; S820-K824 PolarHBondContact OG-NZ 3.25Å; F821-K824 PolarHBondContact O-N 3.11Å; F822-K824 VanDerWaalsContact C-N 3.28Å; F822-K824 PolarHBondContact O-N 3.17Å; K824-F827 PolarHBondContact O-N 2.97Å
825W74.3Confident72.1Confident51 Ų5185.8 Ų85.819%0.19342%0.423CS..Hα-helixtrans-73.6-28177.5-140.395000112.5L48 L107 F821 F822 F827 K828L48-W825 HydrophobicContact CD1-CE3 4.42Å; L48-W825 HydrophobicContact CD2-CB 4.1Å; L48-W825 HydrophobicContact CD2-CE3 4.18Å; L107-W825 HydrophobicContact CB-CZ2 3.9Å; L107-W825 HydrophobicContact CD1-CD2 3.78Å; L107-W825 HydrophobicContact CD1-CE3 3.94Å; L107-W825 HydrophobicContact CD1-CG 4.22Å; L107-W825 HydrophobicContact CD1-CH2 4.32Å; L107-W825 HydrophobicContact CD1-CZ2 4.17Å; L107-W825 HydrophobicContact CD1-CZ3 4.21Å; L107-W825 HydrophobicContact CD2-CH2 3.7Å; L107-W825 HydrophobicContact CD2-CZ2 3.77Å; L107-W825 HydrophobicContact CD2-CZ3 4.2Å; L107-W825 HydrophobicContact CG-CH2 4.44Å; L107-W825 HydrophobicContact CG-CZ2 4.16Å; F821-W825 AromaticContact CZ-CD1 3.75Å; F821-W825 PolarHBondContact O-N 3.39Å; F822-W825 CarbonylContact O-C 3.59Å; F822-W825 PolarHBondContact O-N 2.91Å; W825-F827 PolarHBondContact O-N 3.3Å; W825-F827 VanDerWaalsContact O-N 3.12Å; W825-K828 PolarHBondContact O-N 3.47Å
826K70Confident73.3Confident98 Ų9887.5 Ų87.543%0.42642%0.421SS..THydrogen-bonded Turntrans-58.2-17.9170.9179.3-179.9174.4179.60114.5L48 G49 I50 F822L48-K826 WeakPolarHBondContact O-CD 3.4Å; G49-K826 WeakPolarHBondContact O-CE 3.42Å; G49-K826 PolarHBondContact O-NZ 3.26Å; I50-K826 HydrophobicContact CG1-CD 4.33Å; I50-K826 HydrophobicContact CG1-CG 4.09Å; F822-K826 PolarHBondContact O-N 3.39Å
827F58Low74.5Confident190 Ų19088.3 Ų88.383%0.83341%0.411SS*.THydrogen-bonded Turntrans-92.75.6174.3-73.7-84.7000113.8Q823 K824 W825Q823-F827 WeakPolarHBondContact O-CD2 3.25Å; K824-F827 PolarHBondContact O-N 2.97Å; W825-F827 PolarHBondContact O-N 3.3Å; W825-F827 VanDerWaalsContact O-N 3.12Å
828K54Low74.5Confident215 Ų21590.1 Ų90.194%0.93541%0.41SS*.  trans-116.80-179.4-68.3-170.1172.2-169.80112.9W825W825-K828 PolarHBondContact O-N 3.47Å

Retrieved 828 of 828 residues in 564.4 ms (Link to these results)

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