A0A093J5C6_STRCA Loading...

BRO1 domain-containing protein BROX

AlphaFold DB , UniProt , Accession A0A093J5C6, Species STRCA (Struthio camelus australis), Gene n/a, Length 411 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
1M67.6Low90.1Very high82 Ų8222.4 Ų22.440%0.40411%0.114SC..  0134.30-170.6-179.7-65.400106.3H3 A197 I200M1-H3 PolarHBondContact O-CD2 2.91Å; M1-H3 PolarHBondContact O-NE2 3.39Å; M1-A197 HydrophobicContact CB-CB 3.9Å; M1-A197 HydrophobicContact CE-CB 4.42Å; M1-A197 HydrophobicContact SD-CB 4.31Å; M1-I200 HydrophobicContact CE-CD1 4.36Å
2T80.3Confident90.6Very high25 Ų2520.7 Ų20.715%0.15311%0.106CC..  trans-76.8145176.854.30000110.3A130 K132 F308T2-A130 WeakPolarHBondContact CA-O 3.49Å; T2-K132 WeakPolarHBondContact CG2-O 3.47Å; T2-F308 WeakPolarHBondContact O-CB 3.46Å
3H88.3Confident91Very high15 Ų1520.5 Ų20.57%0.06911%0.107CC..  trans-124.9148.5177.6-58.2-98.9000110.2M1 F5 A130 E193M1-H3 PolarHBondContact O-CD2 2.91Å; M1-H3 PolarHBondContact O-NE2 3.39Å; H3-F5 HydrophobicContact CB-CE1 3.77Å; H3-F5 HydrophobicContact CB-CE2 4.08Å; H3-F5 HydrophobicContact CB-CZ 3.52Å; H3-A130 HydrophobicContact CB-CB 4.11Å; H3-A130 PolarHBondContact N-O 2.89Å; H3-A130 CarbonylContact O-C 3.59Å; H3-E193 PolarHBondContact CE1-O 2.71Å; H3-E193 IonicContact ND1-OE2 2.8Å; H3-E193 PolarHBondContact ND1-OE2 2.98Å
4W91.8Very high91.2Very high23 Ų2319.9 Ų19.99%0.08711%0.107CC..  trans-113.9129.1171.6169.668.7000109.7Y241 L244 K245 Y291 A301 P303 H306 F308W4-Y241 HydrophobicContact CE3-CD2 4.36Å; W4-Y241 HydrophobicContact CE3-CE2 4.2Å; W4-Y241 AromaticContact CH2-CD2 3.7Å; W4-Y241 HydrophobicContact CH2-CD2 3.7Å; W4-Y241 HydrophobicContact CH2-CE2 4.29Å; W4-Y241 HydrophobicContact CZ2-CD2 4.42Å; W4-Y241 AromaticContact CZ3-CD2 3.66Å; W4-Y241 HydrophobicContact CZ3-CD2 3.66Å; W4-Y241 AromaticContact CZ3-CE2 3.95Å; W4-Y241 HydrophobicContact CZ3-CE2 3.95Å; W4-L244 HydrophobicContact CH2-CD1 4.49Å; W4-L244 HydrophobicContact CZ3-CD1 4.04Å; W4-K245 VanDerWaalsContact O-CE 3.27Å; W4-K245 WeakPolarHBondContact O-CE 3.4Å; W4-K245 PolarHBondContact O-NZ 2.92Å; W4-Y291 AromaticContact CH2-CD1 3.95Å; W4-Y291 HydrophobicContact CH2-CD1 3.95Å; W4-Y291 AromaticContact CH2-CE1 3.69Å; W4-Y291 HydrophobicContact CH2-CE1 3.69Å; W4-Y291 HydrophobicContact CH2-CE2 4.29Å; W4-Y291 HydrophobicContact CH2-CG 4.39Å; W4-Y291 AromaticContact CH2-CZ 3.89Å; W4-Y291 HydrophobicContact CZ2-CD1 4.25Å; W4-Y291 AromaticContact CZ2-CE1 3.56Å; W4-Y291 HydrophobicContact CZ2-CE1 3.56Å; W4-Y291 AromaticContact CZ2-CZ 3.73Å; W4-A301 HydrophobicContact CZ2-CB 3.85Å; W4-P303 HydrophobicContact CD2-CB 4.01Å; W4-P303 HydrophobicContact CE3-CB 3.5Å; W4-P303 VanDerWaalsContact CE3-CB 3.5Å; W4-P303 HydrophobicContact CE3-CG 4.23Å; W4-P303 HydrophobicContact CH2-CB 3.9Å; W4-P303 HydrophobicContact CH2-CG 3.72Å; W4-P303 HydrophobicContact CZ2-CB 4.39Å; W4-P303 HydrophobicContact CZ2-CG 4.39Å; W4-P303 HydrophobicContact CZ3-CB 3.43Å; W4-P303 VanDerWaalsContact CZ3-CB 3.43Å; W4-P303 HydrophobicContact CZ3-CG 3.63Å; W4-H306 AromaticContact CD1-CE1 3.75Å; W4-H306 AromaticContact CG-CE1 3.8Å; W4-H306 AromaticContact CG-ND1 3.76Å; W4-F308 HydrophobicContact CB-CD1 4.15Å; W4-F308 HydrophobicContact CB-CE1 3.64Å; W4-F308 HydrophobicContact CB-CZ 4.34Å; W4-F308 HydrophobicContact CE3-CE1 4.35Å; W4-F308 HydrophobicContact CE3-CZ 4.07Å; W4-F308 HydrophobicContact CG-CE1 4.46Å
5F94Very high91.2Very high11 Ų1125.4 Ų25.45%0.04814%0.144CC..  trans-128.1128.2178.6-53.1-46.4000110.6H3 R7 A130 V143 L147 E190 E193 Y241H3-F5 HydrophobicContact CB-CE1 3.77Å; H3-F5 HydrophobicContact CB-CE2 4.08Å; H3-F5 HydrophobicContact CB-CZ 3.52Å; F5-R7 VanDerWaalsContact CB-NH1 3.29Å; F5-A130 HydrophobicContact CD2-CB 4.16Å; F5-A130 HydrophobicContact CE2-CB 3.66Å; F5-A130 HydrophobicContact CZ-CB 4.47Å; F5-V143 HydrophobicContact CE2-CG1 4.13Å; F5-L147 HydrophobicContact CE2-CD1 4.15Å; F5-L147 HydrophobicContact CZ-CD1 4.42Å; F5-E190 HydrophobicContact CD1-CB 4.03Å; F5-E190 HydrophobicContact CD1-CG 3.57Å; F5-E190 HydrophobicContact CE1-CB 3.76Å; F5-E190 HydrophobicContact CE1-CG 3.78Å; F5-E190 HydrophobicContact CE2-CB 4.47Å; F5-E190 HydrophobicContact CG-CG 4.1Å; F5-E190 HydrophobicContact CZ-CB 4.01Å; F5-E190 HydrophobicContact CZ-CG 4.46Å; F5-E193 HydrophobicContact CE1-CG 4.42Å; F5-E193 WeakPolarHBondContact CE1-OE2 3.33Å; F5-Y241 WeakPolarHBondContact CA-OH 3.04Å
6H94Very high91.4Very high3 Ų324.7 Ų24.71%0.01414%0.14CC..  trans-67.9139.8172.2169.680.2000110.4N8 Q186 W238 Y241 Y291 P297H6-N8 PolarHBondContact NE2-OD1 3.43Å; H6-Q186 PolarHBondContact O-NE2 3.45Å; H6-W238 AromaticContact CD2-CD1 3.73Å; H6-Y241 HydrophobicContact CB-CD1 3.65Å; H6-Y241 HydrophobicContact CB-CD2 3.44Å; H6-Y241 VanDerWaalsContact CB-CD2 3.44Å; H6-Y241 HydrophobicContact CB-CE1 3.92Å; H6-Y241 HydrophobicContact CB-CE2 3.73Å; H6-Y241 HydrophobicContact CB-CG 3.37Å; H6-Y291 AromaticContact ND1-CE2 3.77Å; H6-Y291 AromaticContact ND1-CZ 3.73Å; H6-Y291 PolarHBondContact ND1-OH 3.24Å; H6-P297 PolarHBondContact CE1-O 2.6Å; H6-P297 VanDerWaalsContact CE1-O 3.3Å
7R95.1Very high91.4Very high23 Ų2327.5 Ų27.59%0.08716%0.161CC..  trans-131.2121.7176.8-64.6-67.6173.4-107.19.8110F5 T123 K124 S127 E190 G298F5-R7 VanDerWaalsContact CB-NH1 3.29Å; R7-T123 VanDerWaalsContact CZ-O 3.28Å; R7-T123 VanDerWaalsContact NE-C 3.25Å; R7-T123 PolarHBondContact NE-O 3.48Å; R7-T123 PolarHBondContact NH2-O 2.86Å; R7-K124 HydrophobicContact CB-CG 4.35Å; R7-K124 HydrophobicContact CG-CG 4.1Å; R7-S127 PolarHBondContact NE-OG 2.87Å; R7-E190 IonicContact CZ-OE1 2.83Å; R7-E190 IonicContact CZ-OE2 3.34Å; R7-E190 VanDerWaalsContact NH1-CD 3.26Å; R7-E190 IonicContact NH1-OE1 3.72Å; R7-E190 PolarHBondContact NH1-OE1 2.86Å; R7-E190 IonicContact NH1-OE2 2.99Å; R7-E190 PolarHBondContact NH1-OE2 3.05Å; R7-E190 IonicContact NH2-OE1 3.2Å; R7-E190 IonicContact NH2-OE2 3.05Å; R7-E190 PolarHBondContact NH2-OE2 2.97Å; R7-G298 VanDerWaalsContact O-CA 3.24Å; R7-G298 WeakPolarHBondContact O-CA 3.19Å
8N94.9Very high91.4Very high5 Ų526 Ų263%0.02715%0.153CC..PPolyproline II helixtrans-67.2160161.8-62.5-43.2000109.8H6 T95 L96 K124 Y183H6-N8 PolarHBondContact NE2-OD1 3.43Å; N8-T95 HydrophobicContact CB-CG2 4.46Å; N8-L96 HydrophobicContact CB-CD2 4.5Å; N8-K124 WeakPolarHBondContact O-CE 3.21Å; N8-K124 PolarHBondContact O-NZ 2.84Å; N8-Y183 WeakPolarHBondContact CB-OH 3.21Å; N8-Y183 PolarHBondContact ND2-OH 2.65Å
9P94Very high91.2Very high48 Ų4829.3 Ų29.331%0.31217%0.17SC..PPolyproline II helixtrans-61.2153.5177.6-21.633.9000112.9T95 P297P9-T95 WeakPolarHBondContact CD-O 3.41Å; P9-T95 WeakPolarHBondContact O-CG2 3.42Å; P9-P297 HydrophobicContact CG-CB 4.32Å
10L95.7Very high91Very high10 Ų1028.7 Ų28.75%0.05217%0.165CC..PPolyproline II helixtrans-61.1150.5164.1-72.2168.1000110.6F47 N117 L120 K124 L395 E397L10-F47 HydrophobicContact CD1-CB 3.94Å; L10-N117 WeakPolarHBondContact CD2-OD1 3.45Å; L10-L120 HydrophobicContact CD2-CB 3.79Å; L10-K124 HydrophobicContact CD1-CD 4.3Å; L10-K124 HydrophobicContact CD2-CD 3.88Å; L10-K124 HydrophobicContact CG-CD 3.76Å; L10-L395 HydrophobicContact CB-CD1 3.72Å; L10-L395 HydrophobicContact CD1-CD1 4.42Å; L10-E397 WeakPolarHBondContact CB-OE1 3.43Å; L10-E397 HydrophobicContact CD1-CG 4.35Å; L10-E397 VanDerWaalsContact CG-OE1 3.28Å; L10-E397 WeakPolarHBondContact CG-OE1 3.49Å; L10-E397 PolarHBondContact N-OE1 3.04Å
11K95.8Very high90.7Very high1 Ų134.4 Ų34.40%0.00419%0.185CC..PPolyproline II helixtrans-74.9132.9172.4-56.5171.76662.80109.1W92 T93 D94 T95 F116 N117 L120 D174 L395K11-W92 HydrophobicContact CB-CE3 3.63Å; K11-W92 HydrophobicContact CB-CZ3 3.91Å; K11-T93 WeakPolarHBondContact CB-O 3.44Å; K11-T93 WeakPolarHBondContact CE-O 3.28Å; K11-T93 PolarHBondContact NZ-O 2.92Å; K11-D94 IonicContact NZ-OD1 2.9Å; K11-D94 PolarHBondContact NZ-OD1 3.02Å; K11-T95 HydrophobicContact CG-CG2 4.32Å; K11-F116 HydrophobicContact CD-CB 4.2Å; K11-F116 HydrophobicContact CD-CD1 3.78Å; K11-F116 HydrophobicContact CD-CG 4.24Å; K11-N117 PolarHBondContact N-OD1 2.92Å; K11-N117 PolarHBondContact O-ND2 3.35Å; K11-L120 HydrophobicContact CG-CD1 4.1Å; K11-D174 VanDerWaalsContact CD-OD2 3.24Å; K11-D174 WeakPolarHBondContact CD-OD2 3.43Å; K11-D174 VanDerWaalsContact CG-OD2 3.3Å; K11-D174 WeakPolarHBondContact CG-OD2 3.27Å; K11-D174 IonicContact NZ-OD2 3.66Å; K11-D174 PolarHBondContact NZ-OD2 3.05Å; K11-L395 WeakPolarHBondContact O-CD1 3.14Å
12A95.5Very high91.4Very high2 Ų232.4 Ų32.42%0.01719%0.185CC..PPolyproline II helixtrans-99.4155.517300000110.2W92 T93 V392 K393 L395A12-W92 CarbonylContact O-C 3.56Å; A12-W92 VanDerWaalsContact O-CA 3.29Å; A12-W92 WeakPolarHBondContact O-CA 3.37Å; A12-T93 HydrophobicContact CB-CG2 4.27Å; A12-T93 PolarHBondContact N-OG1 3.14Å; A12-T93 PolarHBondContact O-N 2.99Å; A12-V392 VanDerWaalsContact C-CG1 3.49Å; A12-V392 HydrophobicContact CB-CG1 3.58Å; A12-K393 WeakPolarHBondContact CB-O 3.41Å; A12-L395 HydrophobicContact CB-CD1 4.37Å; A12-L395 HydrophobicContact CB-CG 4.34Å
13T95.9Very high91.8Very high18 Ų1831.3 Ų31.311%0.1118%0.179CC..BIsolated β-bridgetrans-138.7152.5-178.6-173.30000111.8R40 L44 K91 W92T13-R40 PolarHBondContact OG1-NH2 3.29Å; T13-L44 HydrophobicContact CG2-CD1 3.77Å; T13-L44 HydrophobicContact CG2-CD2 3.63Å; T13-L44 HydrophobicContact CG2-CG 4.38Å; T13-K91 WeakPolarHBondContact CA-O 3.36Å; T13-K91 WeakPolarHBondContact CB-O 3.44Å; T13-K91 PolarHBondContact OG1-O 2.92Å; T13-W92 HydrophobicContact CG2-CD2 4.48Å; T13-W92 HydrophobicContact CG2-CE3 4.37Å; T13-W92 HydrophobicContact CG2-CH2 3.72Å; T13-W92 HydrophobicContact CG2-CZ2 3.81Å; T13-W92 HydrophobicContact CG2-CZ3 4.01Å
14A93.4Very high91.9Very high13 Ų1331.3 Ų31.311%0.10718%0.181CC..  trans-64.5146.1169.200000110.8R40 K91 V392A14-R40 PolarHBondContact O-NH1 3.27Å; A14-K91 HydrophobicContact CB-CB 4.02Å; A14-K91 HydrophobicContact CB-CD 4.46Å; A14-K91 PolarHBondContact N-O 3.05Å; A14-K91 VanDerWaalsContact N-O 3.17Å; A14-V392 HydrophobicContact CB-CG2 4.32Å
15P91.9Very high91.8Very high102 Ų10233.3 Ų33.366%0.66220%0.196SC*.  trans-58142.2168.4-21.933.7000111.1
16V93.4Very high91.7Very high14 Ų1435.4 Ų35.49%0.08521%0.21CC..  trans-126.7120.3176.9-179.30000108.4F18 Q88 F90V16-F18 HydrophobicContact CB-CD2 4.31Å; V16-F18 HydrophobicContact CB-CE2 3.97Å; V16-F18 HydrophobicContact CB-CZ 4.35Å; V16-F18 HydrophobicContact CG1-CD1 4.13Å; V16-F18 HydrophobicContact CG1-CD2 3.74Å; V16-F18 HydrophobicContact CG1-CE1 4.04Å; V16-F18 HydrophobicContact CG1-CE2 3.65Å; V16-F18 HydrophobicContact CG1-CG 4Å; V16-F18 HydrophobicContact CG1-CZ 3.8Å; V16-Q88 HydrophobicContact CG1-CG 3.82Å; V16-F90 HydrophobicContact CG1-CE1 4.27Å; V16-F90 HydrophobicContact CG2-CD1 3.97Å; V16-F90 HydrophobicContact CG2-CE1 4.2Å
17S91.3Very high91.6Very high72 Ų7240.7 Ų40.750%0.50324%0.244SC..  trans-82.1-20.1-177.664.20000113.4N19 R37S17-N19 PolarHBondContact O-N 3.05Å; S17-N19 VanDerWaalsContact O-N 3.1Å; S17-N19 PolarHBondContact OG-N 3.28Å; S17-R37 WeakPolarHBondContact O-CD 3.42Å
18F92.4Very high91.5Very high1 Ų141 Ų410%0.00426%0.255CS..  trans50.826.6-169.1-62.3-86.7000113.1V16 F20 C33 L36 R37 R40 Y64 F71 F90V16-F18 HydrophobicContact CB-CD2 4.31Å; V16-F18 HydrophobicContact CB-CE2 3.97Å; V16-F18 HydrophobicContact CB-CZ 4.35Å; V16-F18 HydrophobicContact CG1-CD1 4.13Å; V16-F18 HydrophobicContact CG1-CD2 3.74Å; V16-F18 HydrophobicContact CG1-CE1 4.04Å; V16-F18 HydrophobicContact CG1-CE2 3.65Å; V16-F18 HydrophobicContact CG1-CG 4Å; V16-F18 HydrophobicContact CG1-CZ 3.8Å; F18-F20 HydrophobicContact CB-CE2 4.23Å; F18-F20 HydrophobicContact CB-CZ 4.26Å; F18-F20 HydrophobicContact CD1-CE2 4.45Å; F18-F20 AromaticContact CD1-CZ 3.97Å; F18-F20 HydrophobicContact CD1-CZ 3.97Å; F18-F20 WeakPolarHBondContact O-CD2 3.27Å; F18-F20 WeakPolarHBondContact O-CE2 3.5Å; F18-F20 PolarHBondContact O-N 3.45Å; F18-C33 HydrophobicContact CB-CB 4.37Å; F18-C33 VanDerWaalsContact O-CB 3.31Å; F18-C33 WeakPolarHBondContact O-CB 3.48Å; F18-L36 HydrophobicContact CB-CB 4.49Å; F18-L36 HydrophobicContact CD1-CB 4.09Å; F18-L36 HydrophobicContact CD1-CD1 4.05Å; F18-L36 HydrophobicContact CD2-CB 3.98Å; F18-L36 HydrophobicContact CE1-CB 4.29Å; F18-L36 HydrophobicContact CE1-CD1 4.32Å; F18-L36 HydrophobicContact CE1-CD2 4.48Å; F18-L36 HydrophobicContact CE2-CB 4.16Å; F18-L36 HydrophobicContact CG-CB 3.94Å; F18-L36 HydrophobicContact CZ-CB 4.32Å; F18-R37 HydrophobicContact CD2-CB 4.01Å; F18-R40 HydrophobicContact CE2-CB 4.26Å; F18-Y64 HydrophobicContact CZ-CE2 4.46Å; F18-F71 HydrophobicContact CD1-CE2 4.07Å; F18-F71 HydrophobicContact CD1-CZ 4.25Å; F18-F71 HydrophobicContact CE1-CE2 4.06Å; F18-F90 HydrophobicContact CE1-CE1 4.2Å; F18-F90 HydrophobicContact CE1-CZ 4.18Å; F18-F90 HydrophobicContact CZ-CE1 4.1Å; F18-F90 HydrophobicContact CZ-CZ 4.5Å
19N87.7Confident91.3Very high89 Ų8940.8 Ų40.848%0.47625%0.254SS..  trans-88.5101.4176-176.54.7000109.8S17 Y21S17-N19 PolarHBondContact O-N 3.05Å; S17-N19 VanDerWaalsContact O-N 3.1Å; S17-N19 PolarHBondContact OG-N 3.28Å; N19-Y21 VanDerWaalsContact C-N 3.33Å; N19-Y21 PolarHBondContact OD1-N 3.26Å
20F87.1Confident91.3Very high16 Ų1641.5 Ų41.57%0.0726%0.257CS..  trans-93.816.2179-49.6-64.4000113.5F18 G22 V23 C33 F71 I87 Q88 F373F18-F20 HydrophobicContact CB-CE2 4.23Å; F18-F20 HydrophobicContact CB-CZ 4.26Å; F18-F20 HydrophobicContact CD1-CE2 4.45Å; F18-F20 AromaticContact CD1-CZ 3.97Å; F18-F20 HydrophobicContact CD1-CZ 3.97Å; F18-F20 WeakPolarHBondContact O-CD2 3.27Å; F18-F20 WeakPolarHBondContact O-CE2 3.5Å; F18-F20 PolarHBondContact O-N 3.45Å; F20-G22 PolarHBondContact O-N 3.29Å; F20-V23 HydrophobicContact CB-CB 3.77Å; F20-V23 HydrophobicContact CB-CG1 4.29Å; F20-V23 HydrophobicContact CB-CG2 4.33Å; F20-V23 VanDerWaalsContact O-CB 3.27Å; F20-V23 WeakPolarHBondContact O-CB 3.45Å; F20-V23 VanDerWaalsContact O-CG2 3.29Å; F20-V23 WeakPolarHBondContact O-CG2 3.37Å; F20-V23 PolarHBondContact O-N 3.46Å; F20-C33 VanDerWaalsContact CD2-SG 3.58Å; F20-F71 HydrophobicContact CE2-CE2 4.37Å; F20-F71 AromaticContact CE2-CZ 3.72Å; F20-F71 HydrophobicContact CE2-CZ 3.72Å; F20-F71 AromaticContact CZ-CE2 3.88Å; F20-F71 HydrophobicContact CZ-CE2 3.88Å; F20-F71 AromaticContact CZ-CZ 3.7Å; F20-F71 HydrophobicContact CZ-CZ 3.7Å; F20-I87 HydrophobicContact CB-CD1 4.31Å; F20-I87 HydrophobicContact CD1-CD1 3.7Å; F20-I87 HydrophobicContact CD1-CG1 3.87Å; F20-I87 HydrophobicContact CD2-CD1 4.2Å; F20-I87 HydrophobicContact CE1-CB 4.5Å; F20-I87 HydrophobicContact CE1-CD1 4.01Å; F20-I87 HydrophobicContact CE1-CG1 3.96Å; F20-I87 HydrophobicContact CE1-CG2 3.84Å; F20-I87 HydrophobicContact CE2-CD1 4.48Å; F20-I87 HydrophobicContact CG-CD1 3.8Å; F20-I87 HydrophobicContact CG-CG1 4.47Å; F20-I87 HydrophobicContact CZ-CD1 4.38Å; F20-I87 HydrophobicContact CZ-CG2 3.9Å; F20-Q88 HydrophobicContact CE1-CB 4.25Å; F20-F373 HydrophobicContact CD2-CE1 4.21Å; F20-F373 HydrophobicContact CE2-CE1 4.5Å
21Y83.5Confident91.3Very high149 Ų14945.4 Ų45.458%0.58427%0.274SS*.G310 helixtrans50.8-126.4178.7-57.3-87.2000111.6N19 V23 P379N19-Y21 VanDerWaalsContact C-N 3.33Å; N19-Y21 PolarHBondContact OD1-N 3.26Å; Y21-V23 PolarHBondContact O-N 3.21Å; Y21-V23 VanDerWaalsContact O-N 3.12Å; Y21-P379 HydrophobicContact CD2-CG 4.32Å; Y21-P379 HydrophobicContact CG-CG 4.41Å
22G83.4Confident91.3Very high40 Ų4045.5 Ų45.541%0.41227%0.274SS..G310 helixtrans-68.3-4.5-17800000115.7F20 K377F20-G22 PolarHBondContact O-N 3.29Å; G22-K377 VanDerWaalsContact O-CB 3.26Å; G22-K377 WeakPolarHBondContact O-CB 3.5Å; G22-K377 VanDerWaalsContact O-CD 3.23Å; G22-K377 WeakPolarHBondContact O-CD 3.49Å
23V88.9Confident91.3Very high3 Ų345.8 Ų45.82%0.01828%0.276CS..G310 helixtrans-71.9-40179.8175.80000111.7F20 Y21 T25 I87 A372 F373 D374 L375 R378F20-V23 HydrophobicContact CB-CB 3.77Å; F20-V23 HydrophobicContact CB-CG1 4.29Å; F20-V23 HydrophobicContact CB-CG2 4.33Å; F20-V23 VanDerWaalsContact O-CB 3.27Å; F20-V23 WeakPolarHBondContact O-CB 3.45Å; F20-V23 VanDerWaalsContact O-CG2 3.29Å; F20-V23 WeakPolarHBondContact O-CG2 3.37Å; F20-V23 PolarHBondContact O-N 3.46Å; Y21-V23 PolarHBondContact O-N 3.21Å; Y21-V23 VanDerWaalsContact O-N 3.12Å; V23-T25 PolarHBondContact O-N 3.14Å; V23-I87 HydrophobicContact CG1-CD1 3.94Å; V23-A372 VanDerWaalsContact O-O 3.08Å; V23-F373 HydrophobicContact CG1-CB 4.4Å; V23-F373 HydrophobicContact CG1-CD1 4.36Å; V23-F373 CarbonylContact O-C 3.56Å; V23-F373 WeakPolarHBondContact O-CA 3.17Å; V23-D374 PolarHBondContact O-N 3.37Å; V23-L375 HydrophobicContact CG1-CD2 4.13Å; V23-R378 HydrophobicContact CG2-CB 4.13Å
24A90Very high91.3Very high15 Ų1548.1 Ų48.112%0.12429%0.288CS..BIsolated β-bridgetrans-85.4101.6175.400000109.4A29 F373A24-A29 HydrophobicContact CB-CB 3.98Å; A24-F373 HydrophobicContact CB-CE1 4.28Å
25T89.2Confident91.5Very high64 Ų6449.4 Ų49.439%0.39329%0.293SS..  trans-93.9-13.3-166.460.30000115V23 A372 D374 K377V23-T25 PolarHBondContact O-N 3.14Å; T25-A372 PolarHBondContact N-O 3.17Å; T25-A372 PolarHBondContact OG1-O 3.45Å; T25-D374 HydrophobicContact CG2-CB 4.08Å; T25-K377 HydrophobicContact CG2-CD 3.8Å
26T91.8Very high91.7Very high55 Ų5544.5 Ų44.534%0.33726%0.261SS..SBendtrans-121.4156.4-177.766.50000111.6G28 A29 T30 A372T26-G28 PolarHBondContact O-N 3.25Å; T26-A29 PolarHBondContact O-N 2.94Å; T26-A29 PolarHBondContact OG1-N 2.92Å; T26-T30 PolarHBondContact O-N 3.42Å; T26-T30 PolarHBondContact O-OG1 3.43Å; T26-A372 HydrophobicContact CG2-CB 3.54Å; T26-A372 WeakPolarHBondContact OG1-CB 3.4Å
27P92Very high91.9Very high115 Ų11548.8 Ų48.875%0.74728%0.276SS*.Hα-helixtrans-55.4-34.1174.3-26.735.3000113.6K31P27-K31 WeakPolarHBondContact O-CB 3.45Å; P27-K31 PolarHBondContact O-N 2.96Å
28G92.6Very high92.2Very high30 Ų3050.3 Ų50.331%0.30928%0.278SS..Hα-helixtrans-64.6-47.6176.200000112.9T26 T30 K31 I32T26-G28 PolarHBondContact O-N 3.25Å; G28-T30 PolarHBondContact O-N 2.87Å; G28-K31 WeakPolarHBondContact O-CB 3.5Å; G28-K31 PolarHBondContact O-N 3.49Å; G28-I32 WeakPolarHBondContact O-CG1 3.37Å; G28-I32 PolarHBondContact O-N 3.28Å
29A92.8Very high92.5Very high0 Ų050.6 Ų50.60%028%0.28CS..Hα-helixtrans-63.1-41.517600000111.9A24 T26 K31 I32 C33 A372 F373A24-A29 HydrophobicContact CB-CB 3.98Å; T26-A29 PolarHBondContact O-N 2.94Å; T26-A29 PolarHBondContact OG1-N 2.92Å; A29-K31 VanDerWaalsContact C-N 3.33Å; A29-K31 PolarHBondContact O-N 3.21Å; A29-I32 PolarHBondContact O-N 3.5Å; A29-C33 PolarHBondContact O-N 3.4Å; A29-C33 VanDerWaalsContact O-N 3.12Å; A29-C33 PolarHBondContact O-SG 3.02Å; A29-A372 HydrophobicContact CB-CB 3.98Å; A29-F373 HydrophobicContact CB-CD2 4.13Å; A29-F373 HydrophobicContact CB-CE1 4.38Å; A29-F373 HydrophobicContact CB-CE2 3.66Å; A29-F373 HydrophobicContact CB-CZ 3.81Å
30T93.3Very high93Very high62 Ų6246.5 Ų46.538%0.3826%0.258SS..Hα-helixtrans-64-37.8175.3-57.60000112T26 G28 C33 N34T26-T30 PolarHBondContact O-N 3.42Å; T26-T30 PolarHBondContact O-OG1 3.43Å; G28-T30 PolarHBondContact O-N 2.87Å; T30-C33 WeakPolarHBondContact O-CB 3.49Å; T30-C33 PolarHBondContact O-N 2.85Å; T30-N34 PolarHBondContact O-N 3.47Å; T30-N34 PolarHBondContact O-ND2 2.89Å
31K94.8Very high93.5Very high93 Ų9348.8 Ų48.840%0.40427%0.273SS..Hα-helixtrans-62-45.6174.1-176.8-179.3179.3-67.40111.5P27 G28 A29 C33 N34 D35 H364P27-K31 WeakPolarHBondContact O-CB 3.45Å; P27-K31 PolarHBondContact O-N 2.96Å; G28-K31 WeakPolarHBondContact O-CB 3.5Å; G28-K31 PolarHBondContact O-N 3.49Å; A29-K31 VanDerWaalsContact C-N 3.33Å; A29-K31 PolarHBondContact O-N 3.21Å; K31-C33 VanDerWaalsContact C-N 3.3Å; K31-C33 PolarHBondContact O-N 3.27Å; K31-N34 WeakPolarHBondContact O-CB 3.3Å; K31-N34 PolarHBondContact O-N 3.35Å; K31-N34 VanDerWaalsContact O-N 3.14Å; K31-D35 IonicContact NZ-OD2 2.75Å; K31-D35 PolarHBondContact NZ-OD2 3.26Å; K31-D35 WeakPolarHBondContact O-CB 3.37Å; K31-D35 VanDerWaalsContact O-CG 3.29Å; K31-D35 PolarHBondContact O-N 3.33Å; K31-H364 PolarHBondContact NZ-CE1 3.09Å; K31-H364 PolarHBondContact NZ-NE2 3.49Å
32I95.9Very high94.2Very high2 Ų247 Ų471%0.0127%0.265CS..Hα-helixtrans-57.7-43.7176.3-69.1170.8000111.2G28 A29 N34 D35 L36 H364 W365 T369G28-I32 WeakPolarHBondContact O-CG1 3.37Å; G28-I32 PolarHBondContact O-N 3.28Å; A29-I32 PolarHBondContact O-N 3.5Å; I32-N34 VanDerWaalsContact C-N 3.34Å; I32-N34 PolarHBondContact O-N 3.15Å; I32-D35 PolarHBondContact O-N 3.18Å; I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CG 4.47Å; I32-L36 WeakPolarHBondContact O-CB 3.41Å; I32-L36 WeakPolarHBondContact O-CG 3.31Å; I32-L36 PolarHBondContact O-N 3.46Å; I32-H364 HydrophobicContact CD1-CB 4.33Å; I32-H364 HydrophobicContact CG1-CB 4.06Å; I32-W365 HydrophobicContact CD1-CD2 4.05Å; I32-W365 HydrophobicContact CD1-CE3 3.97Å; I32-W365 HydrophobicContact CD1-CH2 4.45Å; I32-W365 HydrophobicContact CD1-CZ3 4.17Å; I32-W365 HydrophobicContact CG2-CH2 3.85Å; I32-W365 HydrophobicContact CG2-CZ2 3.42Å; I32-W365 VanDerWaalsContact CG2-CZ2 3.42Å; I32-T369 HydrophobicContact CD1-CG2 4.36Å
33C95.8Very high94.9Very high8 Ų845.1 Ų45.15%0.05425%0.246CC..Hα-helixtrans-60.7-42.9176.8-63.60000112.2F18 F20 A29 T30 K31 R37F18-C33 HydrophobicContact CB-CB 4.37Å; F18-C33 VanDerWaalsContact O-CB 3.31Å; F18-C33 WeakPolarHBondContact O-CB 3.48Å; F20-C33 VanDerWaalsContact CD2-SG 3.58Å; A29-C33 PolarHBondContact O-N 3.4Å; A29-C33 VanDerWaalsContact O-N 3.12Å; A29-C33 PolarHBondContact O-SG 3.02Å; T30-C33 WeakPolarHBondContact O-CB 3.49Å; T30-C33 PolarHBondContact O-N 2.85Å; K31-C33 VanDerWaalsContact C-N 3.3Å; K31-C33 PolarHBondContact O-N 3.27Å; C33-R37 PolarHBondContact O-N 2.93Å
34N95.9Very high95.2Very high67 Ų6746.5 Ų46.536%0.35825%0.253SS..Hα-helixtrans-65-44.9175.7-75.4-39000112T30 K31 I32 L36 R37 L38T30-N34 PolarHBondContact O-N 3.47Å; T30-N34 PolarHBondContact O-ND2 2.89Å; K31-N34 WeakPolarHBondContact O-CB 3.3Å; K31-N34 PolarHBondContact O-N 3.35Å; K31-N34 VanDerWaalsContact O-N 3.14Å; I32-N34 VanDerWaalsContact C-N 3.34Å; I32-N34 PolarHBondContact O-N 3.15Å; N34-L36 VanDerWaalsContact C-N 3.35Å; N34-L36 PolarHBondContact O-N 3.45Å; N34-R37 PolarHBondContact O-N 3.25Å; N34-L38 WeakPolarHBondContact O-CB 3.37Å; N34-L38 VanDerWaalsContact O-CG 3.32Å; N34-L38 WeakPolarHBondContact O-CG 3.43Å; N34-L38 PolarHBondContact O-N 3.4Å
35D97.3Very high95.5Very high40 Ų4050.6 Ų50.621%0.21427%0.269CS..Hα-helixtrans-64-39.8179.1-68.8-11.7000110.8K31 I32 L38 S39 L67 H364K31-D35 IonicContact NZ-OD2 2.75Å; K31-D35 PolarHBondContact NZ-OD2 3.26Å; K31-D35 WeakPolarHBondContact O-CB 3.37Å; K31-D35 VanDerWaalsContact O-CG 3.29Å; K31-D35 PolarHBondContact O-N 3.33Å; I32-D35 PolarHBondContact O-N 3.18Å; D35-L38 PolarHBondContact O-N 3.17Å; D35-S39 VanDerWaalsContact O-CB 3.24Å; D35-S39 WeakPolarHBondContact O-CB 3.45Å; D35-S39 PolarHBondContact O-N 3.41Å; D35-S39 PolarHBondContact O-OG 3.43Å; D35-L67 HydrophobicContact CB-CD1 3.89Å; D35-L67 HydrophobicContact CB-CD2 4.48Å; D35-H364 IonicContact OD2-CE1 3.69Å; D35-H364 IonicContact OD2-ND1 3.62Å
36L97.8Very high95.9Very high0 Ų047.6 Ų47.60%025%0.251CS..Hα-helixtrans-58.6-49.7172-84.7165.9000111.6F18 I32 N34 L38 S39 R40 Y64 L67 L68 F71F18-L36 HydrophobicContact CB-CB 4.49Å; F18-L36 HydrophobicContact CD1-CB 4.09Å; F18-L36 HydrophobicContact CD1-CD1 4.05Å; F18-L36 HydrophobicContact CD2-CB 3.98Å; F18-L36 HydrophobicContact CE1-CB 4.29Å; F18-L36 HydrophobicContact CE1-CD1 4.32Å; F18-L36 HydrophobicContact CE1-CD2 4.48Å; F18-L36 HydrophobicContact CE2-CB 4.16Å; F18-L36 HydrophobicContact CG-CB 3.94Å; F18-L36 HydrophobicContact CZ-CB 4.32Å; I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CG 4.47Å; I32-L36 WeakPolarHBondContact O-CB 3.41Å; I32-L36 WeakPolarHBondContact O-CG 3.31Å; I32-L36 PolarHBondContact O-N 3.46Å; N34-L36 VanDerWaalsContact C-N 3.35Å; N34-L36 PolarHBondContact O-N 3.45Å; L36-L38 PolarHBondContact O-N 2.83Å; L36-S39 PolarHBondContact O-OG 3.48Å; L36-R40 WeakPolarHBondContact O-CB 3.4Å; L36-R40 PolarHBondContact O-N 2.97Å; L36-Y64 HydrophobicContact CD2-CE2 4.26Å; L36-L67 HydrophobicContact CD2-CB 3.57Å; L36-L67 HydrophobicContact CG-CB 4.02Å; L36-L68 HydrophobicContact CD2-CB 4.42Å; L36-F71 HydrophobicContact CD1-CE1 3.81Å; L36-F71 HydrophobicContact CD1-CE2 4.34Å; L36-F71 HydrophobicContact CD1-CZ 3.61Å
37R97.3Very high96Very high104 Ų10445.5 Ų45.539%0.39224%0.237SC..Hα-helixtrans-60.1-48.2178.5-178.6-176.960.2155.4-3.8111.7S17 F18 C33 N34 T41S17-R37 WeakPolarHBondContact O-CD 3.42Å; F18-R37 HydrophobicContact CD2-CB 4.01Å; C33-R37 PolarHBondContact O-N 2.93Å; N34-R37 PolarHBondContact O-N 3.25Å; R37-T41 WeakPolarHBondContact O-CB 3.14Å; R37-T41 PolarHBondContact O-N 3.31Å; R37-T41 PolarHBondContact O-OG1 3.49Å
38L97.9Very high96Very high103 Ų10342.3 Ų42.354%0.53922%0.215SC..Hα-helixtrans-67.8-46-176.9-69.1174.6000111.5N34 D35 L36 T41 R42N34-L38 WeakPolarHBondContact O-CB 3.37Å; N34-L38 VanDerWaalsContact O-CG 3.32Å; N34-L38 WeakPolarHBondContact O-CG 3.43Å; N34-L38 PolarHBondContact O-N 3.4Å; D35-L38 PolarHBondContact O-N 3.17Å; L36-L38 PolarHBondContact O-N 2.83Å; L38-T41 PolarHBondContact O-N 3.39Å; L38-R42 WeakPolarHBondContact O-CB 3.32Å; L38-R42 PolarHBondContact O-N 3.34Å
39S98.3Very high96Very high7 Ų743.2 Ų43.25%0.04921%0.213CC..Hα-helixtrans-64.6-41.617857.50000112.3D35 L36 R42 L43D35-S39 VanDerWaalsContact O-CB 3.24Å; D35-S39 WeakPolarHBondContact O-CB 3.45Å; D35-S39 PolarHBondContact O-N 3.41Å; D35-S39 PolarHBondContact O-OG 3.43Å; L36-S39 PolarHBondContact O-OG 3.48Å; S39-R42 PolarHBondContact O-N 2.87Å; S39-L43 WeakPolarHBondContact O-CB 3.28Å; S39-L43 PolarHBondContact O-N 3.5Å
40R98.3Very high95.9Very high4 Ų447.6 Ų47.62%0.01524%0.236CC..Hα-helixtrans-60.1-47.7174-168.3179.6-171.9-101.76.5111.9T13 A14 F18 L36 R42 L43 L44 Y64 E110 M114T13-R40 PolarHBondContact OG1-NH2 3.29Å; A14-R40 PolarHBondContact O-NH1 3.27Å; F18-R40 HydrophobicContact CE2-CB 4.26Å; L36-R40 WeakPolarHBondContact O-CB 3.4Å; L36-R40 PolarHBondContact O-N 2.97Å; R40-R42 VanDerWaalsContact C-N 3.34Å; R40-L43 PolarHBondContact O-N 2.73Å; R40-L44 HydrophobicContact CG-CD1 4.11Å; R40-L44 WeakPolarHBondContact O-CG 3.26Å; R40-L44 PolarHBondContact O-N 3.38Å; R40-Y64 HydrophobicContact CB-CD2 3.82Å; R40-Y64 HydrophobicContact CB-CE2 3.46Å; R40-Y64 VanDerWaalsContact CB-CE2 3.46Å; R40-Y64 WeakPolarHBondContact CD-OH 3.48Å; R40-Y64 HydrophobicContact CG-CD2 4.42Å; R40-Y64 HydrophobicContact CG-CE1 4.34Å; R40-Y64 HydrophobicContact CG-CE2 3.78Å; R40-Y64 PolarHBondContact NE-OH 3.1Å; R40-E110 IonicContact CZ-OE1 2.71Å; R40-E110 IonicContact CZ-OE2 2.84Å; R40-E110 IonicContact NE-OE1 3.2Å; R40-E110 PolarHBondContact NE-OE1 3.45Å; R40-E110 IonicContact NE-OE2 3.98Å; R40-E110 IonicContact NH2-OE1 2.74Å; R40-E110 PolarHBondContact NH2-OE1 2.63Å; R40-E110 IonicContact NH2-OE2 2.97Å; R40-E110 PolarHBondContact NH2-OE2 2.94Å; R40-M114 HydrophobicContact CG-CE 3.91Å
41T97Very high95.9Very high63 Ų6348.5 Ų48.539%0.38725%0.245SC..Hα-helixtrans-61.3-46.3179.8-56.50000110.3R37 L38 L43 L44 E45R37-T41 WeakPolarHBondContact O-CB 3.14Å; R37-T41 PolarHBondContact O-N 3.31Å; R37-T41 PolarHBondContact O-OG1 3.49Å; L38-T41 PolarHBondContact O-N 3.39Å; T41-L43 PolarHBondContact O-N 3.44Å; T41-L44 PolarHBondContact O-N 3.47Å; T41-E45 WeakPolarHBondContact O-CG 3.3Å; T41-E45 PolarHBondContact O-N 3.03Å
42R97.4Very high96Very high113 Ų11344.1 Ų44.143%0.42623%0.226SC..Hα-helixtrans-60.4-43.8178.1-17956.61801633.1112.4L38 S39 R40 E45 L46L38-R42 WeakPolarHBondContact O-CB 3.32Å; L38-R42 PolarHBondContact O-N 3.34Å; S39-R42 PolarHBondContact O-N 2.87Å; R40-R42 VanDerWaalsContact C-N 3.34Å; R42-E45 IonicContact NH1-OE2 3.35Å; R42-E45 PolarHBondContact O-N 3.47Å; R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.33Å
43L98.1Very high96Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-62.6-43.2177.3179.657.6000111.6S39 R40 T41 E45 L46 F47 M57 A60 Y64 M114 V118S39-L43 WeakPolarHBondContact O-CB 3.28Å; S39-L43 PolarHBondContact O-N 3.5Å; R40-L43 PolarHBondContact O-N 2.73Å; T41-L43 PolarHBondContact O-N 3.44Å; L43-E45 PolarHBondContact O-N 3.46Å; L43-L46 PolarHBondContact O-N 2.65Å; L43-F47 HydrophobicContact CD1-CE1 4.32Å; L43-F47 HydrophobicContact CD1-CZ 4.23Å; L43-F47 HydrophobicContact CG-CE2 4.45Å; L43-F47 HydrophobicContact CG-CZ 4.04Å; L43-M57 HydrophobicContact CD1-CE 4.38Å; L43-M57 HydrophobicContact CD1-SD 3.51Å; L43-M57 VanDerWaalsContact CD1-SD 3.51Å; L43-A60 HydrophobicContact CB-CB 4.46Å; L43-A60 HydrophobicContact CD1-CB 4.04Å; L43-Y64 HydrophobicContact CD2-CD1 3.74Å; L43-Y64 HydrophobicContact CD2-CG 4.23Å; L43-M114 HydrophobicContact CD2-CE 4.41Å; L43-M114 HydrophobicContact CD2-CG 3.7Å; L43-M114 HydrophobicContact CD2-SD 3.73Å; L43-M114 HydrophobicContact CG-SD 4.14Å; L43-V118 HydrophobicContact CD1-CG2 4.38Å; L43-V118 HydrophobicContact CD2-CG2 4.43Å
44L97Very high96.1Very high32 Ų3248.2 Ų48.217%0.16825%0.249CC..Hα-helixtrans-62.6-40177.8-74.3166.6000112.7T13 R40 T41 L46 F47 W92 M114T13-L44 HydrophobicContact CG2-CD1 3.77Å; T13-L44 HydrophobicContact CG2-CD2 3.63Å; T13-L44 HydrophobicContact CG2-CG 4.38Å; R40-L44 HydrophobicContact CG-CD1 4.11Å; R40-L44 WeakPolarHBondContact O-CG 3.26Å; R40-L44 PolarHBondContact O-N 3.38Å; T41-L44 PolarHBondContact O-N 3.47Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 3.11Å; L44-F47 HydrophobicContact CD2-CD2 4.05Å; L44-F47 HydrophobicContact CD2-CE2 3.89Å; L44-F47 PolarHBondContact O-N 3.04Å; L44-W92 HydrophobicContact CD2-CH2 4.12Å; L44-M114 HydrophobicContact CD1-CE 4.47Å; L44-M114 HydrophobicContact CD2-CE 3.96Å; L44-M114 HydrophobicContact CD2-SD 4.32Å; L44-M114 HydrophobicContact CG-CE 4Å
45E95.6Very high96.1Very high100 Ų10051.2 Ų51.247%0.46726%0.261SS..Hα-helixtrans-60.9-39.7175.9-72.6170.3178.100112.2T41 R42 L43 F47 T48 D49T41-E45 WeakPolarHBondContact O-CG 3.3Å; T41-E45 PolarHBondContact O-N 3.03Å; R42-E45 IonicContact NH1-OE2 3.35Å; R42-E45 PolarHBondContact O-N 3.47Å; L43-E45 PolarHBondContact O-N 3.46Å; E45-F47 PolarHBondContact O-N 3.31Å; E45-T48 PolarHBondContact O-N 2.88Å; E45-T48 PolarHBondContact O-OG1 3.27Å; E45-D49 PolarHBondContact O-N 2.9Å
46L97Very high96.2Very high2 Ų252.1 Ų52.11%0.0127%0.265CS..Hα-helixtrans-66-22.2-178.2-71.9179.4000113.5R42 L43 L44 T48 D49 C52 M56 M57 A60 W121R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.33Å; L43-L46 PolarHBondContact O-N 2.65Å; L44-L46 VanDerWaalsContact C-N 3.31Å; L44-L46 PolarHBondContact O-N 3.11Å; L46-T48 PolarHBondContact O-N 3.05Å; L46-D49 HydrophobicContact CD2-CB 4.41Å; L46-D49 PolarHBondContact O-N 3.34Å; L46-C52 HydrophobicContact CD2-CB 4.21Å; L46-M56 HydrophobicContact CD2-CE 3.99Å; L46-M57 HydrophobicContact CB-CE 3.85Å; L46-A60 HydrophobicContact CD1-CB 3.45Å; L46-A60 VanDerWaalsContact CD1-CB 3.45Å; L46-W121 PolarHBondContact O-NE1 3.23Å
47F95.4Very high96.2Very high11 Ų1152.1 Ų52.15%0.04827%0.265CS..THydrogen-bonded Turntrans-63.4-29.8179.6-68.2-41.8000113.6L10 L43 L44 E45 M57 M114 N117 V118 W121L10-F47 HydrophobicContact CD1-CB 3.94Å; L43-F47 HydrophobicContact CD1-CE1 4.32Å; L43-F47 HydrophobicContact CD1-CZ 4.23Å; L43-F47 HydrophobicContact CG-CE2 4.45Å; L43-F47 HydrophobicContact CG-CZ 4.04Å; L44-F47 HydrophobicContact CD2-CD2 4.05Å; L44-F47 HydrophobicContact CD2-CE2 3.89Å; L44-F47 PolarHBondContact O-N 3.04Å; E45-F47 PolarHBondContact O-N 3.31Å; F47-M57 HydrophobicContact CD1-CE 3.68Å; F47-M57 HydrophobicContact CD1-SD 4.46Å; F47-M57 HydrophobicContact CE1-CE 3.87Å; F47-M57 HydrophobicContact CE1-SD 4.04Å; F47-M114 HydrophobicContact CE2-SD 3.6Å; F47-M114 VanDerWaalsContact CE2-SD 3.6Å; F47-M114 HydrophobicContact CZ-SD 3.68Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.49Å; F47-N117 HydrophobicContact CE2-CB 4.11Å; F47-N117 VanDerWaalsContact CE2-ND2 3.3Å; F47-N117 WeakPolarHBondContact CE2-ND2 2.77Å; F47-N117 HydrophobicContact CZ-CB 3.95Å; F47-V118 HydrophobicContact CE1-CB 4.49Å; F47-V118 HydrophobicContact CE1-CG2 3.91Å; F47-V118 HydrophobicContact CZ-CG2 3.91Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.11Å; F47-W121 HydrophobicContact CE1-CB 4.2Å
48T91.9Very high96.2Very high47 Ų4752.2 Ų52.229%0.28827%0.268SS..THydrogen-bonded Turntrans-108.4-2179.851.40000113.1E45 L46 L50 L395 K396E45-T48 PolarHBondContact O-N 2.88Å; E45-T48 PolarHBondContact O-OG1 3.27Å; L46-T48 PolarHBondContact O-N 3.05Å; T48-L50 PolarHBondContact O-N 3.25Å; T48-L395 HydrophobicContact CG2-CB 4.37Å; T48-L395 HydrophobicContact CG2-CD2 3.93Å; T48-K396 WeakPolarHBondContact CG2-O 3.19Å
49D92.7Very high96.2Very high49 Ų4951.7 Ų51.726%0.26227%0.266SS..  trans-77113177.7-176.5-6.4000110.7E45 L46 S51 C52E45-D49 PolarHBondContact O-N 2.9Å; L46-D49 HydrophobicContact CD2-CB 4.41Å; L46-D49 PolarHBondContact O-N 3.34Å; D49-S51 PolarHBondContact O-N 2.94Å; D49-S51 WeakPolarHBondContact OD1-CA 3.43Å; D49-S51 WeakPolarHBondContact OD1-CB 3.34Å; D49-S51 PolarHBondContact OD1-N 3.32Å; D49-S51 PolarHBondContact OD1-OG 3.03Å; D49-S51 PolarHBondContact OD2-OG 3.35Å; D49-S51 VanDerWaalsContact OD2-OG 3.13Å; D49-C52 HydrophobicContact CB-CB 4.16Å; D49-C52 WeakPolarHBondContact O-CB 3.35Å; D49-C52 PolarHBondContact O-N 2.99Å; D49-C52 VanDerWaalsContact O-N 3.08Å
50L90.6Very high96.2Very high93 Ų9351.9 Ų51.949%0.48727%0.268SS..THydrogen-bonded Turntrans-65.7-21.8179-70.9175.8000113.4T48 C52 R128 P398T48-L50 PolarHBondContact O-N 3.25Å; L50-C52 VanDerWaalsContact C-N 3.31Å; L50-R128 PolarHBondContact O-NH1 3.19Å; L50-R128 PolarHBondContact O-NH2 3.47Å; L50-P398 HydrophobicContact CD1-CB 3.93Å; L50-P398 HydrophobicContact CD1-CG 4.46Å; L50-P398 HydrophobicContact CD2-CB 3.77Å; L50-P398 HydrophobicContact CD2-CG 3.43Å; L50-P398 VanDerWaalsContact CD2-CG 3.43Å; L50-P398 HydrophobicContact CG-CB 3.87Å; L50-P398 HydrophobicContact CG-CG 3.87Å
51S92.8Very high96.2Very high81 Ų8151.9 Ų51.957%0.56627%0.268SS*.THydrogen-bonded Turntrans-82.2-12175.975.50000112.8D49 N53D49-S51 PolarHBondContact O-N 2.94Å; D49-S51 WeakPolarHBondContact OD1-CA 3.43Å; D49-S51 WeakPolarHBondContact OD1-CB 3.34Å; D49-S51 PolarHBondContact OD1-N 3.32Å; D49-S51 PolarHBondContact OD1-OG 3.03Å; D49-S51 PolarHBondContact OD2-OG 3.35Å; D49-S51 VanDerWaalsContact OD2-OG 3.13Å; S51-N53 PolarHBondContact O-N 3.3Å
52C96.1Very high96.3Very high1 Ų150.8 Ų50.81%0.00726%0.26CS..  trans-62.7129.5179.7-170.20000110.9L46 D49 L50 W121L46-C52 HydrophobicContact CD2-CB 4.21Å; D49-C52 HydrophobicContact CB-CB 4.16Å; D49-C52 WeakPolarHBondContact O-CB 3.35Å; D49-C52 PolarHBondContact O-N 2.99Å; D49-C52 VanDerWaalsContact O-N 3.08Å; L50-C52 VanDerWaalsContact C-N 3.31Å; C52-W121 HydrophobicContact CB-CZ2 3.92Å; C52-W121 WeakPolarHBondContact SG-CZ2 3.36Å
53N96.3Very high96.3Very high61 Ų6149.6 Ų49.633%0.32626%0.262SS..  trans-115.3168.6175.271.530.3000110.6S51 E55 M56 M57S51-N53 PolarHBondContact O-N 3.3Å; N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 VanDerWaalsContact O-N 3.15Å; N53-E55 WeakPolarHBondContact OD1-CB 3.25Å; N53-E55 PolarHBondContact OD1-N 2.92Å; N53-E55 VanDerWaalsContact OD1-N 3.1Å; N53-M56 PolarHBondContact O-N 3.16Å; N53-M56 WeakPolarHBondContact OD1-CG 3.41Å; N53-M56 PolarHBondContact OD1-N 3.44Å; N53-M57 PolarHBondContact O-N 3.28Å
54P96.9Very high96.3Very high34 Ų3449.6 Ų49.622%0.22126%0.262CS..Hα-helixtrans-56.7-30.8-176.7-32.239.7000115K58 W121 Y122 Y125P54-K58 VanDerWaalsContact O-CB 3.3Å; P54-K58 WeakPolarHBondContact O-CB 3.42Å; P54-K58 PolarHBondContact O-N 3.44Å; P54-W121 HydrophobicContact CG-CH2 4.44Å; P54-Y122 HydrophobicContact CB-CE1 4.08Å; P54-Y122 PolarHBondContact O-OH 3.07Å; P54-Y125 HydrophobicContact CG-CD1 4.27Å; P54-Y125 HydrophobicContact CG-CE1 3.71Å
55E97.3Very high96.4Very high130 Ų13048.1 Ų48.161%0.60725%0.254SS*.Hα-helixtrans-72.8-47.3178.7-174.8-177.3176.700111.3N53 M57 K58 N59N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 VanDerWaalsContact O-N 3.15Å; N53-E55 WeakPolarHBondContact OD1-CB 3.25Å; N53-E55 PolarHBondContact OD1-N 2.92Å; N53-E55 VanDerWaalsContact OD1-N 3.1Å; E55-M57 VanDerWaalsContact C-N 3.31Å; E55-M57 PolarHBondContact O-N 3.35Å; E55-K58 PolarHBondContact O-N 2.78Å; E55-N59 WeakPolarHBondContact O-CB 3.37Å; E55-N59 VanDerWaalsContact O-CG 3.28Å; E55-N59 PolarHBondContact O-N 3.2Å; E55-N59 PolarHBondContact O-ND2 2.91Å
56M98.2Very high96.5Very high59 Ų5943.9 Ų43.929%0.29124%0.235SC..Hα-helixtrans-58.3-44.8174.7-68.2170.168.600111.3L46 N53 N59 A60L46-M56 HydrophobicContact CD2-CE 3.99Å; N53-M56 PolarHBondContact O-N 3.16Å; N53-M56 WeakPolarHBondContact OD1-CG 3.41Å; N53-M56 PolarHBondContact OD1-N 3.44Å; M56-N59 PolarHBondContact O-N 2.93Å; M56-A60 PolarHBondContact O-N 2.92Å; M56-A60 VanDerWaalsContact O-N 3.11Å
57M98.1Very high96.5Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-61.7-47.7176.9-179.353.163.100111L43 L46 F47 N53 E55 N59 A60 T61 V118 W121 Y122L43-M57 HydrophobicContact CD1-CE 4.38Å; L43-M57 HydrophobicContact CD1-SD 3.51Å; L43-M57 VanDerWaalsContact CD1-SD 3.51Å; L46-M57 HydrophobicContact CB-CE 3.85Å; F47-M57 HydrophobicContact CD1-CE 3.68Å; F47-M57 HydrophobicContact CD1-SD 4.46Å; F47-M57 HydrophobicContact CE1-CE 3.87Å; F47-M57 HydrophobicContact CE1-SD 4.04Å; N53-M57 PolarHBondContact O-N 3.28Å; E55-M57 VanDerWaalsContact C-N 3.31Å; E55-M57 PolarHBondContact O-N 3.35Å; M57-N59 PolarHBondContact O-N 3.12Å; M57-A60 PolarHBondContact O-N 3.12Å; M57-T61 WeakPolarHBondContact O-CB 3.44Å; M57-T61 PolarHBondContact O-N 2.92Å; M57-T61 PolarHBondContact O-OG1 3.47Å; M57-V118 HydrophobicContact CG-CG1 4.27Å; M57-V118 HydrophobicContact SD-CG1 4.32Å; M57-V118 HydrophobicContact SD-CG2 4.37Å; M57-W121 HydrophobicContact CB-CD2 4.37Å; M57-W121 HydrophobicContact CB-CE3 3.94Å; M57-W121 HydrophobicContact CB-CH2 3.71Å; M57-W121 HydrophobicContact CB-CZ2 4.12Å; M57-W121 HydrophobicContact CB-CZ3 3.59Å; M57-W121 HydrophobicContact CE-CB 4.34Å; M57-W121 HydrophobicContact CE-CD2 3.55Å; M57-W121 HydrophobicContact CE-CE3 4.16Å; M57-W121 HydrophobicContact CE-CG 3.62Å; M57-W121 HydrophobicContact CE-CZ2 4.35Å; M57-W121 HydrophobicContact CG-CD2 3.98Å; M57-W121 HydrophobicContact CG-CE3 3.54Å; M57-W121 HydrophobicContact CG-CH2 4.28Å; M57-W121 HydrophobicContact CG-CZ3 3.71Å; M57-W121 HydrophobicContact SD-CD2 4.44Å; M57-Y122 HydrophobicContact CG-CE2 4.24Å
58K97.5Very high96.6Very high106 Ų10643.3 Ų43.346%0.46123%0.233SC..Hα-helixtrans-59.3-47.5177.9176.5168.4172.348.60111.9P54 E55 A60 T61 D62P54-K58 VanDerWaalsContact O-CB 3.3Å; P54-K58 WeakPolarHBondContact O-CB 3.42Å; P54-K58 PolarHBondContact O-N 3.44Å; E55-K58 PolarHBondContact O-N 2.78Å; K58-A60 PolarHBondContact O-N 2.85Å; K58-T61 WeakPolarHBondContact O-CB 3.41Å; K58-T61 PolarHBondContact O-N 3.32Å; K58-D62 WeakPolarHBondContact CE-OD2 3.43Å; K58-D62 WeakPolarHBondContact CG-OD2 3.48Å; K58-D62 IonicContact NZ-OD1 2.68Å; K58-D62 PolarHBondContact NZ-OD1 3.33Å; K58-D62 IonicContact NZ-OD2 3.89Å; K58-D62 PolarHBondContact NZ-OD2 2.95Å; K58-D62 WeakPolarHBondContact O-CB 3.2Å; K58-D62 VanDerWaalsContact O-CG 3.27Å; K58-D62 PolarHBondContact O-N 3.01Å
59N98.1Very high96.8Very high93 Ų9342 Ų4250%0.49722%0.223SC..Hα-helixtrans-62.4-42.4-178.4-70.1-20.2000112.3E55 M56 M57 L63E55-N59 WeakPolarHBondContact O-CB 3.37Å; E55-N59 VanDerWaalsContact O-CG 3.28Å; E55-N59 PolarHBondContact O-N 3.2Å; E55-N59 PolarHBondContact O-ND2 2.91Å; M56-N59 PolarHBondContact O-N 2.93Å; M57-N59 PolarHBondContact O-N 3.12Å; N59-L63 WeakPolarHBondContact O-CB 2.9Å; N59-L63 PolarHBondContact O-N 3.31Å; N59-L63 VanDerWaalsContact O-N 3.08Å
60A98.4Very high96.9Very high11 Ų1139.8 Ų39.89%0.09121%0.212CC..Hα-helixtrans-69-39176.400000112.4L43 L46 M56 M57 K58 Y64L43-A60 HydrophobicContact CB-CB 4.46Å; L43-A60 HydrophobicContact CD1-CB 4.04Å; L46-A60 HydrophobicContact CD1-CB 3.45Å; L46-A60 VanDerWaalsContact CD1-CB 3.45Å; M56-A60 PolarHBondContact O-N 2.92Å; M56-A60 VanDerWaalsContact O-N 3.11Å; M57-A60 PolarHBondContact O-N 3.12Å; K58-A60 PolarHBondContact O-N 2.85Å; A60-Y64 PolarHBondContact O-N 3.18Å
61T97.9Very high97.1Very high4 Ų435.4 Ų35.43%0.02519%0.189CC..Hα-helixtrans-60.5-50.5175.5-65.90000110.9M57 K58 L63 Y64 F65 V118M57-T61 WeakPolarHBondContact O-CB 3.44Å; M57-T61 PolarHBondContact O-N 2.92Å; M57-T61 PolarHBondContact O-OG1 3.47Å; K58-T61 WeakPolarHBondContact O-CB 3.41Å; K58-T61 PolarHBondContact O-N 3.32Å; T61-L63 PolarHBondContact O-N 2.9Å; T61-Y64 PolarHBondContact O-N 2.96Å; T61-F65 HydrophobicContact CG2-CD2 3.36Å; T61-F65 HydrophobicContact CG2-CE2 3.37Å; T61-F65 WeakPolarHBondContact O-CB 3.44Å; T61-F65 WeakPolarHBondContact O-CD2 3.37Å; T61-F65 WeakPolarHBondContact O-CG 3.25Å; T61-F65 PolarHBondContact O-N 3.42Å; T61-V118 HydrophobicContact CG2-CG1 4.31Å; T61-V118 HydrophobicContact CG2-CG2 4.32Å
62D98.2Very high97.1Very high39 Ų3932.8 Ų32.821%0.20917%0.169CC..Hα-helixtrans-63.7-42.3-179.1-71.7-11.5000111.1K58 S66 P359K58-D62 WeakPolarHBondContact CE-OD2 3.43Å; K58-D62 WeakPolarHBondContact CG-OD2 3.48Å; K58-D62 IonicContact NZ-OD1 2.68Å; K58-D62 PolarHBondContact NZ-OD1 3.33Å; K58-D62 IonicContact NZ-OD2 3.89Å; K58-D62 PolarHBondContact NZ-OD2 2.95Å; K58-D62 WeakPolarHBondContact O-CB 3.2Å; K58-D62 VanDerWaalsContact O-CG 3.27Å; K58-D62 PolarHBondContact O-N 3.01Å; D62-S66 WeakPolarHBondContact O-CB 3.3Å; D62-S66 PolarHBondContact O-N 3.36Å; D62-S66 PolarHBondContact O-OG 2.96Å; D62-S66 VanDerWaalsContact O-OG 3.05Å; D62-P359 HydrophobicContact CB-CB 4.15Å; D62-P359 HydrophobicContact CB-CG 4.37Å; D62-P359 WeakPolarHBondContact O-CG 3.5Å
63L98.3Very high96.8Very high88 Ų8836.2 Ų36.246%0.46119%0.186SC..Hα-helixtrans-61.5-50.5177.2179.960.6000111.5N59 T61 S66 L67N59-L63 WeakPolarHBondContact O-CB 2.9Å; N59-L63 PolarHBondContact O-N 3.31Å; N59-L63 VanDerWaalsContact O-N 3.08Å; T61-L63 PolarHBondContact O-N 2.9Å; L63-S66 PolarHBondContact O-OG 3.25Å; L63-L67 HydrophobicContact CD1-CD1 4.31Å; L63-L67 PolarHBondContact O-N 3.04Å
64Y98.6Very high96.3Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-65-47.5-178.9178.3-122.8000112F18 L36 R40 L43 A60 T61 L67 L68 E110 M114F18-Y64 HydrophobicContact CZ-CE2 4.46Å; L36-Y64 HydrophobicContact CD2-CE2 4.26Å; R40-Y64 HydrophobicContact CB-CD2 3.82Å; R40-Y64 HydrophobicContact CB-CE2 3.46Å; R40-Y64 VanDerWaalsContact CB-CE2 3.46Å; R40-Y64 WeakPolarHBondContact CD-OH 3.48Å; R40-Y64 HydrophobicContact CG-CD2 4.42Å; R40-Y64 HydrophobicContact CG-CE1 4.34Å; R40-Y64 HydrophobicContact CG-CE2 3.78Å; R40-Y64 PolarHBondContact NE-OH 3.1Å; L43-Y64 HydrophobicContact CD2-CD1 3.74Å; L43-Y64 HydrophobicContact CD2-CG 4.23Å; A60-Y64 PolarHBondContact O-N 3.18Å; T61-Y64 PolarHBondContact O-N 2.96Å; Y64-L67 PolarHBondContact O-N 2.89Å; Y64-L68 HydrophobicContact CE1-CD2 4.03Å; Y64-L68 HydrophobicContact CE2-CB 4.48Å; Y64-L68 PolarHBondContact O-N 3.14Å; Y64-E110 VanDerWaalsContact OH-CD 3.31Å; Y64-E110 VanDerWaalsContact OH-CG 3.25Å; Y64-E110 WeakPolarHBondContact OH-CG 3.44Å; Y64-E110 PolarHBondContact OH-OE1 2.87Å; Y64-M114 HydrophobicContact CD1-CE 4.41Å; Y64-M114 HydrophobicContact CD1-CG 4.02Å; Y64-M114 HydrophobicContact CE1-CB 4.25Å; Y64-M114 HydrophobicContact CE1-CE 3.84Å; Y64-M114 HydrophobicContact CE1-CG 3.82Å
65F98.3Very high95.6Very high1 Ų135.5 Ų35.50%0.00418%0.182CC..Hα-helixtrans-71.7-30.8-177-68.1-40.3000113.5T61 L67 L68 Q69 L111 M114 V118 F358 P359T61-F65 HydrophobicContact CG2-CD2 3.36Å; T61-F65 HydrophobicContact CG2-CE2 3.37Å; T61-F65 WeakPolarHBondContact O-CB 3.44Å; T61-F65 WeakPolarHBondContact O-CD2 3.37Å; T61-F65 WeakPolarHBondContact O-CG 3.25Å; T61-F65 PolarHBondContact O-N 3.42Å; F65-L67 PolarHBondContact O-N 3.28Å; F65-L68 HydrophobicContact CD1-CD2 4.25Å; F65-L68 HydrophobicContact CE1-CD2 4.48Å; F65-L68 PolarHBondContact O-N 3.48Å; F65-Q69 WeakPolarHBondContact O-CB 3.45Å; F65-Q69 VanDerWaalsContact O-CG 3.25Å; F65-Q69 WeakPolarHBondContact O-CG 3.4Å; F65-Q69 PolarHBondContact O-N 2.87Å; F65-Q69 VanDerWaalsContact O-N 3.07Å; F65-Q69 PolarHBondContact O-NE2 3.03Å; F65-L111 HydrophobicContact CD1-CD1 3.5Å; F65-L111 HydrophobicContact CE1-CD1 3.86Å; F65-L111 HydrophobicContact CG-CD1 4.15Å; F65-M114 HydrophobicContact CE1-CB 3.88Å; F65-M114 HydrophobicContact CE1-CG 3.82Å; F65-M114 HydrophobicContact CZ-CB 3.95Å; F65-M114 HydrophobicContact CZ-CG 3.7Å; F65-V118 HydrophobicContact CE2-CG2 4.42Å; F65-F358 HydrophobicContact CB-CD1 3.97Å; F65-F358 HydrophobicContact CD1-CD1 4.46Å; F65-F358 HydrophobicContact CD1-CE1 4.19Å; F65-F358 AromaticContact CD2-CD1 3.54Å; F65-F358 HydrophobicContact CD2-CD1 3.54Å; F65-F358 AromaticContact CD2-CE1 3.49Å; F65-F358 HydrophobicContact CD2-CE1 3.49Å; F65-F358 VanDerWaalsContact CD2-CE1 3.49Å; F65-F358 HydrophobicContact CE1-CE1 4.24Å; F65-F358 HydrophobicContact CE2-CD1 4.08Å; F65-F358 AromaticContact CE2-CE1 3.53Å; F65-F358 HydrophobicContact CE2-CE1 3.53Å; F65-F358 AromaticContact CG-CD1 3.76Å; F65-F358 HydrophobicContact CG-CD1 3.76Å; F65-F358 AromaticContact CG-CE1 3.84Å; F65-F358 HydrophobicContact CG-CE1 3.84Å; F65-F358 AromaticContact CZ-CE1 3.95Å; F65-F358 HydrophobicContact CZ-CE1 3.95Å; F65-P359 HydrophobicContact CB-CG 3.82Å
66S97.8Very high94.5Very high11 Ų1134.6 Ų34.68%0.07718%0.181CC..Hα-helixtrans-61.7-34.3172.268.60000111.6D62 L63 A360 N362D62-S66 WeakPolarHBondContact O-CB 3.3Å; D62-S66 PolarHBondContact O-N 3.36Å; D62-S66 PolarHBondContact O-OG 2.96Å; D62-S66 VanDerWaalsContact O-OG 3.05Å; L63-S66 PolarHBondContact O-OG 3.25Å; S66-A360 WeakPolarHBondContact CB-O 3.44Å; S66-N362 WeakPolarHBondContact O-CB 3.39Å; S66-N362 PolarHBondContact O-N 3.37Å; S66-N362 PolarHBondContact OG-ND2 3.35Å; S66-N362 VanDerWaalsContact OG-ND2 3.16Å
67L97.8Very high92.8Very high1 Ų139.6 Ų39.61%0.00521%0.209CC..Hα-helixtrans-79.4-46.3176.9-68.9166000111.9D35 L36 L63 Y64 F65 Q69 G70 N362 W365D35-L67 HydrophobicContact CB-CD1 3.89Å; D35-L67 HydrophobicContact CB-CD2 4.48Å; L36-L67 HydrophobicContact CD2-CB 3.57Å; L36-L67 HydrophobicContact CG-CB 4.02Å; L63-L67 HydrophobicContact CD1-CD1 4.31Å; L63-L67 PolarHBondContact O-N 3.04Å; Y64-L67 PolarHBondContact O-N 2.89Å; F65-L67 PolarHBondContact O-N 3.28Å; L67-Q69 VanDerWaalsContact C-N 3.25Å; L67-Q69 PolarHBondContact O-N 2.65Å; L67-G70 PolarHBondContact O-N 3.13Å; L67-N362 HydrophobicContact CD2-CB 3.84Å; L67-N362 HydrophobicContact CG-CB 4.25Å; L67-W365 PolarHBondContact O-NE1 2.93Å
68L97.8Very high91.1Very high0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-62.1-33.7-178.1-179.164.8000112.2L36 Y64 F65 G70 F71 A107 E110 L111L36-L68 HydrophobicContact CD2-CB 4.42Å; Y64-L68 HydrophobicContact CE1-CD2 4.03Å; Y64-L68 HydrophobicContact CE2-CB 4.48Å; Y64-L68 PolarHBondContact O-N 3.14Å; F65-L68 HydrophobicContact CD1-CD2 4.25Å; F65-L68 HydrophobicContact CE1-CD2 4.48Å; F65-L68 PolarHBondContact O-N 3.48Å; L68-G70 PolarHBondContact O-N 3.35Å; L68-G70 VanDerWaalsContact O-N 3.13Å; L68-F71 HydrophobicContact CD1-CD2 4.44Å; L68-F71 WeakPolarHBondContact O-CB 3.31Å; L68-F71 PolarHBondContact O-N 3.11Å; L68-A107 HydrophobicContact CD1-CB 4.41Å; L68-E110 HydrophobicContact CD1-CG 4.23Å; L68-E110 HydrophobicContact CD2-CB 4.29Å; L68-E110 HydrophobicContact CD2-CG 3.72Å; L68-L111 HydrophobicContact CD2-CB 3.99Å; L68-L111 HydrophobicContact CD2-CD1 4.09Å
69Q95.1Very high89.5Confident20 Ų2042.7 Ų42.79%0.09325%0.245CC..G310 helixtrans-59.8-23.3178.4-83175.997.800113.9F65 L67 F71 I72 I73 P359 L361F65-Q69 WeakPolarHBondContact O-CB 3.45Å; F65-Q69 VanDerWaalsContact O-CG 3.25Å; F65-Q69 WeakPolarHBondContact O-CG 3.4Å; F65-Q69 PolarHBondContact O-N 2.87Å; F65-Q69 VanDerWaalsContact O-N 3.07Å; F65-Q69 PolarHBondContact O-NE2 3.03Å; L67-Q69 VanDerWaalsContact C-N 3.25Å; L67-Q69 PolarHBondContact O-N 2.65Å; Q69-F71 PolarHBondContact O-N 3.49Å; Q69-I72 PolarHBondContact O-N 3.49Å; Q69-I73 HydrophobicContact CB-CD1 4.06Å; Q69-I73 HydrophobicContact CB-CG1 4.46Å; Q69-I73 HydrophobicContact CG-CD1 4.16Å; Q69-I73 PolarHBondContact O-N 3.47Å; Q69-P359 PolarHBondContact NE2-O 3.36Å; Q69-P359 PolarHBondContact OE1-O 2.91Å; Q69-L361 HydrophobicContact CB-CD1 3.92Å
70G94.6Very high88.1Confident3 Ų345.2 Ų45.23%0.03125%0.253CS..G310 helixtrans-70.3-10.117400000114L67 L68 I72 C82 L361L67-G70 PolarHBondContact O-N 3.13Å; L68-G70 PolarHBondContact O-N 3.35Å; L68-G70 VanDerWaalsContact O-N 3.13Å; G70-I72 VanDerWaalsContact C-N 3.35Å; G70-C82 PolarHBondContact O-SG 3.39Å; G70-L361 VanDerWaalsContact CA-CD1 3.5Å
71F95Very high87.3Confident0 Ų049.3 Ų49.30%027%0.27CS..G310 helixtrans-85.5-9.4166.3-72.19.4000112.8F18 F20 L36 L68 Q69 C82 L84 R85 I87 A107 W365F18-F71 HydrophobicContact CD1-CE2 4.07Å; F18-F71 HydrophobicContact CD1-CZ 4.25Å; F18-F71 HydrophobicContact CE1-CE2 4.06Å; F20-F71 HydrophobicContact CE2-CE2 4.37Å; F20-F71 AromaticContact CE2-CZ 3.72Å; F20-F71 HydrophobicContact CE2-CZ 3.72Å; F20-F71 AromaticContact CZ-CE2 3.88Å; F20-F71 HydrophobicContact CZ-CE2 3.88Å; F20-F71 AromaticContact CZ-CZ 3.7Å; F20-F71 HydrophobicContact CZ-CZ 3.7Å; L36-F71 HydrophobicContact CD1-CE1 3.81Å; L36-F71 HydrophobicContact CD1-CE2 4.34Å; L36-F71 HydrophobicContact CD1-CZ 3.61Å; L68-F71 HydrophobicContact CD1-CD2 4.44Å; L68-F71 WeakPolarHBondContact O-CB 3.31Å; L68-F71 PolarHBondContact O-N 3.11Å; Q69-F71 PolarHBondContact O-N 3.49Å; F71-C82 WeakPolarHBondContact O-CB 3.37Å; F71-L84 HydrophobicContact CB-CB 4.28Å; F71-L84 HydrophobicContact CD1-CB 3.87Å; F71-L84 HydrophobicContact CD1-CD1 3.83Å; F71-L84 HydrophobicContact CE1-CB 4.44Å; F71-L84 HydrophobicContact CE1-CD1 3.94Å; F71-L84 HydrophobicContact CG-CB 4.08Å; F71-L84 CarbonylContact O-C 3.6Å; F71-R85 WeakPolarHBondContact O-CA 3.31Å; F71-R85 WeakPolarHBondContact O-CB 3.41Å; F71-R85 PolarHBondContact O-N 2.96Å; F71-I87 HydrophobicContact CD2-CG2 4.08Å; F71-I87 HydrophobicContact CE2-CG2 3.78Å; F71-I87 HydrophobicContact CZ-CG2 4.25Å; F71-A107 HydrophobicContact CB-CB 3.69Å; F71-A107 HydrophobicContact CD2-CB 4.28Å; F71-W365 AromaticContact CD1-CH2 3.8Å; F71-W365 HydrophobicContact CD1-CH2 3.8Å; F71-W365 AromaticContact CD1-CZ2 3.74Å; F71-W365 HydrophobicContact CD1-CZ2 3.74Å; F71-W365 AromaticContact CE1-CH2 3.69Å; F71-W365 HydrophobicContact CE1-CH2 3.69Å; F71-W365 AromaticContact CE1-CZ2 3.75Å; F71-W365 HydrophobicContact CE1-CZ2 3.75Å
72I93.6Very high86.9Confident26 Ų2649.3 Ų49.313%0.13327%0.271CS..THydrogen-bonded Turntrans-117.5-52.5-168.4-57.1171.1000110.5Q69 G70 C82 A107 V108 L111Q69-I72 PolarHBondContact O-N 3.49Å; G70-I72 VanDerWaalsContact C-N 3.35Å; I72-C82 PolarHBondContact O-N 3.22Å; I72-A107 HydrophobicContact CD1-CB 4.31Å; I72-A107 HydrophobicContact CG1-CB 3.82Å; I72-V108 HydrophobicContact CD1-CG2 4.22Å; I72-V108 HydrophobicContact CG1-CG2 4.22Å; I72-V108 HydrophobicContact CG2-CG2 3.78Å; I72-L111 HydrophobicContact CD1-CB 3.92Å; I72-L111 HydrophobicContact CD1-CD2 3.8Å; I72-L111 HydrophobicContact CD1-CG 4.31Å
73I90.2Very high86.5Confident74 Ų7452 Ų5238%0.37928%0.28SS..SBendtrans-85.9134.4-174.3-57.5178.2000109.7Q69Q69-I73 HydrophobicContact CB-CD1 4.06Å; Q69-I73 HydrophobicContact CB-CG1 4.46Å; Q69-I73 HydrophobicContact CG-CD1 4.16Å; Q69-I73 PolarHBondContact O-N 3.47Å
74S84.3Confident86.3Confident25 Ų2547.8 Ų47.818%0.17526%0.258CS..  trans-77.2143171.4-162.90000111.5D76 Q80S74-D76 WeakPolarHBondContact CB-OD1 3.28Å; S74-D76 PolarHBondContact OG-OD1 3.24Å; S74-Q80 WeakPolarHBondContact CB-O 3.32Å
75L82.9Confident86.1Confident55 Ų5548.1 Ų48.129%0.28826%0.26SS..THydrogen-bonded Turntrans-81-17179.5-70.5179.3000113.8L361 W365 T366 L370L75-L361 HydrophobicContact CD2-CD2 3.22Å; L75-L361 HydrophobicContact CG-CD2 4.49Å; L75-W365 HydrophobicContact CD2-CB 4.37Å; L75-T366 VanDerWaalsContact CD1-O 3.32Å; L75-T366 WeakPolarHBondContact CD1-O 3.38Å; L75-L370 HydrophobicContact CB-CD2 4.37Å; L75-L370 HydrophobicContact CD1-CB 3.8Å; L75-L370 HydrophobicContact CD1-CD2 3.76Å; L75-L370 HydrophobicContact CD1-CG 4.4Å; L75-L370 HydrophobicContact CG-CD2 4.02Å
76D73.1Confident85.9Confident110 Ų11052 Ų5259%0.58828%0.275SS*.THydrogen-bonded Turntrans-99.411.7-172.464.6-5.1000113.6S74 S78S74-D76 WeakPolarHBondContact CB-OD1 3.28Å; S74-D76 PolarHBondContact OG-OD1 3.24Å; D76-S78 PolarHBondContact O-N 3.45Å; D76-S78 VanDerWaalsContact OD1-CB 3.26Å; D76-S78 WeakPolarHBondContact OD1-CB 3.29Å; D76-S78 PolarHBondContact OD1-N 3.03Å; D76-S78 PolarHBondContact OD1-OG 2.64Å; D76-S78 PolarHBondContact OD2-OG 3.23Å
77D63.9Low85.7Confident164 Ų16452 Ų5288%0.87727%0.274SS*.  trans55.914-177.4-122.54000113.8
78S62.5Low85.4Confident39 Ų3953.8 Ų53.827%0.27328%0.282SS..  trans-67.6143.1169.2700000108.5D76 Q80D76-S78 PolarHBondContact O-N 3.45Å; D76-S78 VanDerWaalsContact OD1-CB 3.26Å; D76-S78 WeakPolarHBondContact OD1-CB 3.29Å; D76-S78 PolarHBondContact OD1-N 3.03Å; D76-S78 PolarHBondContact OD1-OG 2.64Å; D76-S78 PolarHBondContact OD2-OG 3.23Å; S78-Q80 PolarHBondContact O-N 2.97Å
79S62.8Low85.3Confident133 Ų13357.2 Ų57.293%0.9330%0.301SS*.SBendtrans-65.911.8173.251.60000113.5
80Q69.9Low85.3Confident145 Ų14556.3 Ų56.368%0.67830%0.296SS*.SBendtrans-89.1150179.6-58.6-169.9-3.700111S74 S78S74-Q80 WeakPolarHBondContact CB-O 3.32Å; S78-Q80 PolarHBondContact O-N 2.97Å
81E81.3Confident85.3Confident97 Ų9757.4 Ų57.445%0.45330%0.3SS..PPolyproline II helixtrans-75.3149.1176.3-56.4-179.2171.800110.5K83 R85 Y86E81-K83 PolarHBondContact O-N 3.01Å; E81-R85 IonicContact OE1-CZ 2.73Å; E81-R85 IonicContact OE1-NH1 2.97Å; E81-R85 PolarHBondContact OE1-NH1 3.49Å; E81-R85 VanDerWaalsContact OE2-CD 3.27Å; E81-R85 WeakPolarHBondContact OE2-CD 3.49Å; E81-R85 IonicContact OE2-CZ 2.89Å; E81-R85 IonicContact OE2-NE 2.82Å; E81-R85 IonicContact OE2-NH1 2.61Å; E81-R85 PolarHBondContact OE2-NH1 2.95Å; E81-Y86 PolarHBondContact OE2-OH 2.92Å
82C89.3Confident85.4Confident5 Ų557.4 Ų57.43%0.03430%0.3CS..PPolyproline II helixtrans-60134.3175177.30000111G70 F71 I72 L84 R85G70-C82 PolarHBondContact O-SG 3.39Å; F71-C82 WeakPolarHBondContact O-CB 3.37Å; I72-C82 PolarHBondContact O-N 3.22Å; C82-L84 PolarHBondContact O-N 3.17Å; C82-L84 PolarHBondContact SG-N 2.98Å; C82-R85 WeakPolarHBondContact O-CB 3.46Å; C82-R85 PolarHBondContact O-N 2.76Å
83K90.4Very high85.5Confident94 Ų9456.6 Ų56.641%0.40930%0.297SS..THydrogen-bonded Turntrans-54.2-20177.867.3175.8176.61740114.1E81 L370 F373 L375E81-K83 PolarHBondContact O-N 3.01Å; K83-L370 WeakPolarHBondContact CE-O 3.32Å; K83-L370 PolarHBondContact NZ-O 3.19Å; K83-F373 PolarHBondContact NZ-O 3.12Å; K83-L375 HydrophobicContact CB-CD1 4.24Å; K83-L375 HydrophobicContact CG-CD1 4.49Å; K83-L375 WeakPolarHBondContact O-CD1 3.45Å
84L93.3Very high85.8Confident0 Ų053.6 Ų53.60%028%0.281CS..THydrogen-bonded Turntrans-89-5.5-178.4-56.7-178.1000113.8F71 C82 Y86 I87 W365 L370 F373 L375F71-L84 HydrophobicContact CB-CB 4.28Å; F71-L84 HydrophobicContact CD1-CB 3.87Å; F71-L84 HydrophobicContact CD1-CD1 3.83Å; F71-L84 HydrophobicContact CE1-CB 4.44Å; F71-L84 HydrophobicContact CE1-CD1 3.94Å; F71-L84 HydrophobicContact CG-CB 4.08Å; F71-L84 CarbonylContact O-C 3.6Å; C82-L84 PolarHBondContact O-N 3.17Å; C82-L84 PolarHBondContact SG-N 2.98Å; L84-Y86 PolarHBondContact O-N 3.37Å; L84-Y86 VanDerWaalsContact O-N 3.08Å; L84-I87 HydrophobicContact CB-CG2 4.39Å; L84-I87 HydrophobicContact CD2-CD1 4.07Å; L84-I87 WeakPolarHBondContact O-CB 3.46Å; L84-I87 WeakPolarHBondContact O-CG2 3.18Å; L84-I87 PolarHBondContact O-N 3.1Å; L84-W365 HydrophobicContact CD1-CH2 3.7Å; L84-W365 HydrophobicContact CD1-CZ3 3.95Å; L84-L370 HydrophobicContact CD1-CD1 3.71Å; L84-L370 HydrophobicContact CG-CD1 4.08Å; L84-F373 HydrophobicContact CD1-CB 4.2Å; L84-F373 HydrophobicContact CD1-CD1 4.07Å; L84-F373 HydrophobicContact CD1-CD2 3.9Å; L84-F373 HydrophobicContact CD1-CE1 4.43Å; L84-F373 HydrophobicContact CD1-CE2 4.28Å; L84-F373 HydrophobicContact CD1-CG 3.8Å; L84-F373 HydrophobicContact CD2-CB 3.65Å; L84-F373 HydrophobicContact CD2-CD1 4.19Å; L84-F373 HydrophobicContact CD2-CG 4.01Å; L84-F373 HydrophobicContact CG-CB 4.49Å; L84-L375 HydrophobicContact CD2-CD2 4.03Å
85R94.4Very high86.3Confident7 Ų752.5 Ų52.53%0.02627%0.274CS..THydrogen-bonded Turntrans-52.1-39.9-175-179.4174.6172.4-179.8-0.7113.3F71 E81 C82 D106 A107 K164F71-R85 WeakPolarHBondContact O-CA 3.31Å; F71-R85 WeakPolarHBondContact O-CB 3.41Å; F71-R85 PolarHBondContact O-N 2.96Å; E81-R85 IonicContact OE1-CZ 2.73Å; E81-R85 IonicContact OE1-NH1 2.97Å; E81-R85 PolarHBondContact OE1-NH1 3.49Å; E81-R85 VanDerWaalsContact OE2-CD 3.27Å; E81-R85 WeakPolarHBondContact OE2-CD 3.49Å; E81-R85 IonicContact OE2-CZ 2.89Å; E81-R85 IonicContact OE2-NE 2.82Å; E81-R85 IonicContact OE2-NH1 2.61Å; E81-R85 PolarHBondContact OE2-NH1 2.95Å; C82-R85 WeakPolarHBondContact O-CB 3.46Å; C82-R85 PolarHBondContact O-N 2.76Å; R85-D106 WeakPolarHBondContact CG-OD1 3.37Å; R85-D106 IonicContact CZ-OD1 3.93Å; R85-D106 IonicContact CZ-OD2 3.94Å; R85-D106 IonicContact NE-OD1 3.46Å; R85-D106 PolarHBondContact NE-OD1 3.44Å; R85-D106 IonicContact NE-OD2 3.39Å; R85-D106 PolarHBondContact NE-OD2 3.38Å; R85-D106 IonicContact NH2-OD1 2.82Å; R85-D106 PolarHBondContact NH2-OD1 3.42Å; R85-D106 IonicContact NH2-OD2 2.96Å; R85-D106 PolarHBondContact NH2-OD2 3.44Å; R85-A107 WeakPolarHBondContact O-CB 3.28Å; R85-A107 PolarHBondContact O-N 3.37Å; R85-K164 PolarHBondContact NH2-O 3.26Å
86Y93.6Very high86.8Confident83 Ų8350.2 Ų50.233%0.32526%0.262SS..THydrogen-bonded Turntrans-102.918.6-175.6-48.9-77000112.9E81 L84 Q105 D106 I166E81-Y86 PolarHBondContact OE2-OH 2.92Å; L84-Y86 PolarHBondContact O-N 3.37Å; L84-Y86 VanDerWaalsContact O-N 3.08Å; Y86-Q105 WeakPolarHBondContact CA-O 3.3Å; Y86-Q105 VanDerWaalsContact CD1-O 3.27Å; Y86-Q105 WeakPolarHBondContact CD1-O 3.39Å; Y86-Q105 WeakPolarHBondContact O-CG 3.36Å; Y86-Q105 PolarHBondContact O-NE2 2.93Å; Y86-D106 HydrophobicContact CE1-CB 4.49Å; Y86-I166 HydrophobicContact CE1-CD1 4.15Å; Y86-I166 WeakPolarHBondContact OH-CD1 3.45Å
87I93.1Very high87.7Confident12 Ų1247.2 Ų47.26%0.06224%0.244CC..SBendtrans-74.5-30.6-177-162.1174000112.8F20 V23 F71 L84 L375F20-I87 HydrophobicContact CB-CD1 4.31Å; F20-I87 HydrophobicContact CD1-CD1 3.7Å; F20-I87 HydrophobicContact CD1-CG1 3.87Å; F20-I87 HydrophobicContact CD2-CD1 4.2Å; F20-I87 HydrophobicContact CE1-CB 4.5Å; F20-I87 HydrophobicContact CE1-CD1 4.01Å; F20-I87 HydrophobicContact CE1-CG1 3.96Å; F20-I87 HydrophobicContact CE1-CG2 3.84Å; F20-I87 HydrophobicContact CE2-CD1 4.48Å; F20-I87 HydrophobicContact CG-CD1 3.8Å; F20-I87 HydrophobicContact CG-CG1 4.47Å; F20-I87 HydrophobicContact CZ-CD1 4.38Å; F20-I87 HydrophobicContact CZ-CG2 3.9Å; V23-I87 HydrophobicContact CG1-CD1 3.94Å; F71-I87 HydrophobicContact CD2-CG2 4.08Å; F71-I87 HydrophobicContact CE2-CG2 3.78Å; F71-I87 HydrophobicContact CZ-CG2 4.25Å; L84-I87 HydrophobicContact CB-CG2 4.39Å; L84-I87 HydrophobicContact CD2-CD1 4.07Å; L84-I87 WeakPolarHBondContact O-CB 3.46Å; L84-I87 WeakPolarHBondContact O-CG2 3.18Å; L84-I87 PolarHBondContact O-N 3.1Å; I87-L375 HydrophobicContact CD1-CD2 3.82Å; I87-L375 HydrophobicContact CG1-CD2 4.2Å
88Q93.1Very high88.7Confident37 Ų3741.9 Ų41.917%0.17323%0.228CC..SBendtrans-122.8136.4-170.2179.260.362.300111.5V16 F20 F90 Q105V16-Q88 HydrophobicContact CG1-CG 3.82Å; F20-Q88 HydrophobicContact CE1-CB 4.25Å; Q88-F90 HydrophobicContact CB-CD2 4.43Å; Q88-F90 HydrophobicContact CB-CE1 4.49Å; Q88-F90 HydrophobicContact CB-CE2 3.67Å; Q88-F90 HydrophobicContact CB-CZ 3.72Å; Q88-F90 HydrophobicContact CG-CD1 4.18Å; Q88-F90 HydrophobicContact CG-CD2 4.16Å; Q88-F90 HydrophobicContact CG-CE1 3.66Å; Q88-F90 HydrophobicContact CG-CE2 3.64Å; Q88-F90 HydrophobicContact CG-CG 4.42Å; Q88-F90 HydrophobicContact CG-CZ 3.37Å; Q88-F90 WeakPolarHBondContact O-CD2 3.43Å; Q88-Q105 CarbonylContact O-C 3.5Å; Q88-Q105 WeakPolarHBondContact O-CA 3.44Å
89N94.2Very high89.9Confident72 Ų7247 Ų4739%0.38525%0.247SC..  trans-87.6130.4169.3-172.749.3000110.8Q104 Q105N89-Q104 PolarHBondContact OD1-O 3.49Å; N89-Q105 HydrophobicContact CB-CB 4.32Å; N89-Q105 HydrophobicContact CB-CG 4.34Å; N89-Q105 PolarHBondContact OD1-N 3.36Å
90F95.6Very high91.1Very high1 Ų144.7 Ų44.70%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-118.3141178.3-60.5-86.2000109.7V16 F18 Q88 S103 Q104 A107 F109 E110V16-F90 HydrophobicContact CG1-CE1 4.27Å; V16-F90 HydrophobicContact CG2-CD1 3.97Å; V16-F90 HydrophobicContact CG2-CE1 4.2Å; F18-F90 HydrophobicContact CE1-CE1 4.2Å; F18-F90 HydrophobicContact CE1-CZ 4.18Å; F18-F90 HydrophobicContact CZ-CE1 4.1Å; F18-F90 HydrophobicContact CZ-CZ 4.5Å; Q88-F90 HydrophobicContact CB-CD2 4.43Å; Q88-F90 HydrophobicContact CB-CE1 4.49Å; Q88-F90 HydrophobicContact CB-CE2 3.67Å; Q88-F90 HydrophobicContact CB-CZ 3.72Å; Q88-F90 HydrophobicContact CG-CD1 4.18Å; Q88-F90 HydrophobicContact CG-CD2 4.16Å; Q88-F90 HydrophobicContact CG-CE1 3.66Å; Q88-F90 HydrophobicContact CG-CE2 3.64Å; Q88-F90 HydrophobicContact CG-CG 4.42Å; Q88-F90 HydrophobicContact CG-CZ 3.37Å; Q88-F90 WeakPolarHBondContact O-CD2 3.43Å; F90-S103 CarbonylContact O-C 3.47Å; F90-S103 WeakPolarHBondContact O-CA 3.23Å; F90-Q104 PolarHBondContact N-O 3.1Å; F90-Q104 PolarHBondContact O-N 3.38Å; F90-A107 HydrophobicContact CE2-CB 4.47Å; F90-F109 HydrophobicContact CB-CD1 4.09Å; F90-F109 HydrophobicContact CB-CE1 4.41Å; F90-F109 WeakPolarHBondContact O-CE1 3.24Å; F90-E110 HydrophobicContact CB-CB 4.22Å; F90-E110 HydrophobicContact CD1-CB 3.67Å; F90-E110 HydrophobicContact CD1-CG 3.68Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.49Å; F90-E110 HydrophobicContact CD2-CB 3.68Å; F90-E110 HydrophobicContact CE1-CB 3.8Å; F90-E110 HydrophobicContact CE1-CG 3.57Å; F90-E110 HydrophobicContact CE2-CB 3.81Å; F90-E110 HydrophobicContact CE2-CG 4.43Å; F90-E110 HydrophobicContact CG-CB 3.6Å; F90-E110 HydrophobicContact CG-CG 4.16Å; F90-E110 HydrophobicContact CZ-CB 3.86Å; F90-E110 HydrophobicContact CZ-CG 3.96Å
91K95.6Very high92.2Very high26 Ų2640 Ų4011%0.11321%0.209CC..EExtended strand (participates in β ladder)trans-128.6127.7-176.1-178.8-177.3-69-177.40109.7T13 A14 P101 S102 S103 D389 V392T13-K91 WeakPolarHBondContact CA-O 3.36Å; T13-K91 WeakPolarHBondContact CB-O 3.44Å; T13-K91 PolarHBondContact OG1-O 2.92Å; A14-K91 HydrophobicContact CB-CB 4.02Å; A14-K91 HydrophobicContact CB-CD 4.46Å; A14-K91 PolarHBondContact N-O 3.05Å; A14-K91 VanDerWaalsContact N-O 3.17Å; K91-P101 HydrophobicContact CD-CB 3.98Å; K91-P101 HydrophobicContact CD-CG 3.92Å; K91-P101 HydrophobicContact CG-CB 3.64Å; K91-P101 HydrophobicContact CG-CG 4.14Å; K91-S102 CarbonylContact C-O 3.42Å; K91-S102 WeakPolarHBondContact CA-O 3.22Å; K91-S103 WeakPolarHBondContact CB-OG 3.26Å; K91-S103 VanDerWaalsContact CE-OG 3.24Å; K91-S103 WeakPolarHBondContact CE-OG 3.46Å; K91-S103 VanDerWaalsContact CG-OG 3.25Å; K91-S103 WeakPolarHBondContact CG-OG 3.44Å; K91-D389 IonicContact NZ-OD1 3.57Å; K91-D389 PolarHBondContact NZ-OD1 3.06Å; K91-V392 HydrophobicContact CD-CG2 3.43Å; K91-V392 VanDerWaalsContact CD-CG2 3.43Å; K91-V392 HydrophobicContact CG-CG2 3.74Å
92W96.3Very high92.7Very high1 Ų136.2 Ų36.20%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-136.9143.5-176.7-76.590.7000111.8K11 A12 T13 L44 P101 S102 F109 E110 M114 N117K11-W92 HydrophobicContact CB-CE3 3.63Å; K11-W92 HydrophobicContact CB-CZ3 3.91Å; A12-W92 CarbonylContact O-C 3.56Å; A12-W92 VanDerWaalsContact O-CA 3.29Å; A12-W92 WeakPolarHBondContact O-CA 3.37Å; T13-W92 HydrophobicContact CG2-CD2 4.48Å; T13-W92 HydrophobicContact CG2-CE3 4.37Å; T13-W92 HydrophobicContact CG2-CH2 3.72Å; T13-W92 HydrophobicContact CG2-CZ2 3.81Å; T13-W92 HydrophobicContact CG2-CZ3 4.01Å; L44-W92 HydrophobicContact CD2-CH2 4.12Å; W92-P101 CarbonylContact O-C 3.51Å; W92-P101 WeakPolarHBondContact O-CA 3.4Å; W92-S102 PolarHBondContact N-O 3.17Å; W92-S102 PolarHBondContact O-N 3.12Å; W92-F109 HydrophobicContact CB-CZ 4.31Å; W92-F109 AromaticContact CD1-CE1 3.83Å; W92-E110 PolarHBondContact NE1-OE2 3.5Å; W92-M114 HydrophobicContact CH2-CB 4.37Å; W92-M114 HydrophobicContact CH2-CE 3.79Å; W92-M114 HydrophobicContact CH2-SD 3.76Å; W92-M114 HydrophobicContact CZ2-CB 4.08Å; W92-M114 HydrophobicContact CZ2-CE 3.75Å; W92-M114 HydrophobicContact CZ2-SD 4.15Å; W92-N117 HydrophobicContact CZ3-CB 4.34Å
93T95.8Very high92.9Very high9 Ų938.4 Ų38.46%0.05521%0.209CC..  trans-82.4168.5162.967.60000110.6K11 A12 P101 V392K11-T93 WeakPolarHBondContact CB-O 3.44Å; K11-T93 WeakPolarHBondContact CE-O 3.28Å; K11-T93 PolarHBondContact NZ-O 2.92Å; A12-T93 HydrophobicContact CB-CG2 4.27Å; A12-T93 PolarHBondContact N-OG1 3.14Å; A12-T93 PolarHBondContact O-N 2.99Å; T93-P101 HydrophobicContact CG2-CB 4.29Å; T93-V392 HydrophobicContact CG2-CB 4.19Å; T93-V392 HydrophobicContact CG2-CG1 3.77Å
94D95.4Very high93Very high11 Ų1134.6 Ų34.66%0.05919%0.193CC..  trans-122.6153178-61-90.1000111.6K11 L96 Q97 R173 D174K11-D94 IonicContact NZ-OD1 2.9Å; K11-D94 PolarHBondContact NZ-OD1 3.02Å; D94-L96 PolarHBondContact O-N 2.74Å; D94-L96 VanDerWaalsContact O-N 3.07Å; D94-Q97 HydrophobicContact CB-CB 4.12Å; D94-Q97 HydrophobicContact CB-CG 4.02Å; D94-Q97 PolarHBondContact O-N 3.26Å; D94-R173 VanDerWaalsContact CG-CD 3.46Å; D94-R173 WeakPolarHBondContact OD2-CD 3.39Å; D94-R173 IonicContact OD2-CZ 3.71Å; D94-R173 IonicContact OD2-NE 2.73Å; D94-R173 IonicContact OD2-NH1 3.14Å; D94-R173 PolarHBondContact OD2-NH1 3.49Å; D94-D174 WeakPolarHBondContact CA-OD2 3.34Å; D94-D174 PolarHBondContact OD1-N 3.46Å
95T95.6Very high93.1Very high2 Ų238.6 Ų38.61%0.01221%0.212CC..THydrogen-bonded Turntrans-57.8-28.9-172.264.70000113.5N8 P9 K11 F116 L120 D174 Y183 P297N8-T95 HydrophobicContact CB-CG2 4.46Å; P9-T95 WeakPolarHBondContact CD-O 3.41Å; P9-T95 WeakPolarHBondContact O-CG2 3.42Å; K11-T95 HydrophobicContact CG-CG2 4.32Å; T95-F116 HydrophobicContact CG2-CE1 4.09Å; T95-L120 HydrophobicContact CG2-CD1 3.54Å; T95-L120 HydrophobicContact CG2-CD2 4.22Å; T95-D174 VanDerWaalsContact CB-OD1 3.3Å; T95-D174 WeakPolarHBondContact CB-OD1 3.31Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.45Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.34Å; T95-D174 PolarHBondContact N-OD1 3.39Å; T95-D174 PolarHBondContact N-OD2 3.16Å; T95-D174 PolarHBondContact OG1-OD1 3.01Å; T95-Y183 VanDerWaalsContact CB-OH 3.28Å; T95-Y183 WeakPolarHBondContact CB-OH 3.16Å; T95-Y183 VanDerWaalsContact CG2-OH 3.31Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.23Å; T95-Y183 PolarHBondContact OG1-OH 3.46Å; T95-Y183 VanDerWaalsContact OG1-OH 3.07Å; T95-P297 WeakPolarHBondContact O-CB 3.38Å
96L93.6Very high93.2Very high7 Ų738.5 Ų38.54%0.03721%0.211CC..THydrogen-bonded Turntrans-108.2-10.6-178.7-53-172.4000114.6N8 D94 L179 Y234 V235 W238 P297N8-L96 HydrophobicContact CB-CD2 4.5Å; D94-L96 PolarHBondContact O-N 2.74Å; D94-L96 VanDerWaalsContact O-N 3.07Å; L96-L179 HydrophobicContact CD1-CD1 4.26Å; L96-L179 HydrophobicContact CD1-CD2 3.77Å; L96-L179 HydrophobicContact CD1-CG 4.1Å; L96-L179 HydrophobicContact CG-CD2 4.04Å; L96-Y234 HydrophobicContact CB-CD2 3.83Å; L96-Y234 HydrophobicContact CB-CG 4.43Å; L96-Y234 HydrophobicContact CD1-CD2 3.85Å; L96-Y234 HydrophobicContact CD1-CE2 4.27Å; L96-Y234 WeakPolarHBondContact O-CB 3.31Å; L96-V235 HydrophobicContact CD1-CG1 3.85Å; L96-W238 HydrophobicContact CD1-CE3 3.93Å; L96-W238 HydrophobicContact CD1-CZ3 4.1Å; L96-W238 HydrophobicContact CD2-CE3 4.14Å; L96-P297 HydrophobicContact CD2-CB 4.37Å; L96-P297 HydrophobicContact CD2-CG 3.92Å
97Q91Very high93.3Very high46 Ų4634.6 Ų34.622%0.21520%0.196CC..SBendtrans-96.811.4-174.1-59.9-57.3-4200113.6D94 Q99 V100 G172D94-Q97 HydrophobicContact CB-CB 4.12Å; D94-Q97 HydrophobicContact CB-CG 4.02Å; D94-Q97 PolarHBondContact O-N 3.26Å; Q97-Q99 PolarHBondContact O-N 3.21Å; Q97-V100 PolarHBondContact O-N 3.27Å; Q97-G172 WeakPolarHBondContact CG-O 3.44Å; Q97-G172 PolarHBondContact NE2-O 2.94Å
98G86Confident93.5Very high52 Ų5234 Ų3454%0.53619%0.194SC..THydrogen-bonded Turntrans59.5-122.5179.400000111.9
99Q86.6Confident93.7Very high147 Ų14732.6 Ų32.669%0.68719%0.187SC*.THydrogen-bonded Turntrans-95.44.1-176.8-59-174.81.600113.5Q97 P101 P394Q97-Q99 PolarHBondContact O-N 3.21Å; Q99-P101 WeakPolarHBondContact O-CD 3.47Å; Q99-P394 HydrophobicContact CG-CG 3.99Å
100V89.4Confident93.9Very high85 Ų8529.2 Ų29.252%0.51517%0.169SC..  trans-82.9107.8-178.6-175.90000109.2Q97 R173Q97-V100 PolarHBondContact O-N 3.27Å; V100-R173 PolarHBondContact O-NH1 2.93Å
101P92.4Very high94Very high45 Ų4529.2 Ų29.229%0.29217%0.169SC..  trans-80.5165179.935.7-34.1000111.9K91 W92 T93 Q99 V392K91-P101 HydrophobicContact CD-CB 3.98Å; K91-P101 HydrophobicContact CD-CG 3.92Å; K91-P101 HydrophobicContact CG-CB 3.64Å; K91-P101 HydrophobicContact CG-CG 4.14Å; W92-P101 CarbonylContact O-C 3.51Å; W92-P101 WeakPolarHBondContact O-CA 3.4Å; T93-P101 HydrophobicContact CG2-CB 4.29Å; Q99-P101 WeakPolarHBondContact O-CD 3.47Å; P101-V392 HydrophobicContact CB-CG2 4.02Å; P101-V392 HydrophobicContact CG-CG2 4.29Å
102S91.9Very high94.1Very high18 Ų1828 Ų2813%0.12616%0.164CC..EExtended strand (participates in β ladder)trans-121.7149.2163.2-176.70000109K91 W92K91-S102 CarbonylContact C-O 3.42Å; K91-S102 WeakPolarHBondContact CA-O 3.22Å; W92-S102 PolarHBondContact N-O 3.17Å; W92-S102 PolarHBondContact O-N 3.12Å
103S92.9Very high94.2Very high51 Ų5128 Ų2836%0.35716%0.164SC..EExtended strand (participates in β ladder)trans-127.7138.3-179-55.70000111.5F90 K91F90-S103 CarbonylContact O-C 3.47Å; F90-S103 WeakPolarHBondContact O-CA 3.23Å; K91-S103 WeakPolarHBondContact CB-OG 3.26Å; K91-S103 VanDerWaalsContact CE-OG 3.24Å; K91-S103 WeakPolarHBondContact CE-OG 3.46Å; K91-S103 VanDerWaalsContact CG-OG 3.25Å; K91-S103 WeakPolarHBondContact CG-OG 3.44Å
104Q93.8Very high94.3Very high14 Ų1427.6 Ų27.67%0.06516%0.161CC..EExtended strand (participates in β ladder)trans-138.8139.3169.3-55-170.87.200110.2N89 F90 D106 F109N89-Q104 PolarHBondContact OD1-O 3.49Å; F90-Q104 PolarHBondContact N-O 3.1Å; F90-Q104 PolarHBondContact O-N 3.38Å; Q104-D106 HydrophobicContact CB-CB 4.47Å; Q104-D106 PolarHBondContact O-N 3.3Å; Q104-D106 VanDerWaalsContact O-N 3.07Å; Q104-F109 HydrophobicContact CB-CB 3.9Å; Q104-F109 HydrophobicContact CB-CD1 3.66Å; Q104-F109 HydrophobicContact CB-CD2 4.2Å; Q104-F109 HydrophobicContact CB-CE1 4.2Å; Q104-F109 HydrophobicContact CB-CG 3.66Å; Q104-F109 HydrophobicContact CG-CB 4.43Å; Q104-F109 HydrophobicContact CG-CD1 4.09Å; Q104-F109 HydrophobicContact CG-CD2 3.88Å; Q104-F109 HydrophobicContact CG-CE1 4.28Å; Q104-F109 HydrophobicContact CG-CE2 4.09Å; Q104-F109 HydrophobicContact CG-CG 3.87Å; Q104-F109 HydrophobicContact CG-CZ 4.29Å
105Q94.8Very high94.4Very high85 Ų8527.1 Ų27.140%0.39716%0.159SC..SBendtrans-85.260.6173.1-166.3178.8-14.700110.7Y86 Q88 N89Y86-Q105 WeakPolarHBondContact CA-O 3.3Å; Y86-Q105 VanDerWaalsContact CD1-O 3.27Å; Y86-Q105 WeakPolarHBondContact CD1-O 3.39Å; Y86-Q105 WeakPolarHBondContact O-CG 3.36Å; Y86-Q105 PolarHBondContact O-NE2 2.93Å; Q88-Q105 CarbonylContact O-C 3.5Å; Q88-Q105 WeakPolarHBondContact O-CA 3.44Å; N89-Q105 HydrophobicContact CB-CB 4.32Å; N89-Q105 HydrophobicContact CB-CG 4.34Å; N89-Q105 PolarHBondContact OD1-N 3.36Å
106D95.6Very high94.6Very high4 Ų427 Ų272%0.02116%0.158CC..  trans-145.5123.5-175.9-173.5-11.4000110.5R85 Y86 Q104 V108 F109 E110R85-D106 WeakPolarHBondContact CG-OD1 3.37Å; R85-D106 IonicContact CZ-OD1 3.93Å; R85-D106 IonicContact CZ-OD2 3.94Å; R85-D106 IonicContact NE-OD1 3.46Å; R85-D106 PolarHBondContact NE-OD1 3.44Å; R85-D106 IonicContact NE-OD2 3.39Å; R85-D106 PolarHBondContact NE-OD2 3.38Å; R85-D106 IonicContact NH2-OD1 2.82Å; R85-D106 PolarHBondContact NH2-OD1 3.42Å; R85-D106 IonicContact NH2-OD2 2.96Å; R85-D106 PolarHBondContact NH2-OD2 3.44Å; Y86-D106 HydrophobicContact CE1-CB 4.49Å; Q104-D106 HydrophobicContact CB-CB 4.47Å; Q104-D106 PolarHBondContact O-N 3.3Å; Q104-D106 VanDerWaalsContact O-N 3.07Å; D106-V108 VanDerWaalsContact C-N 3.25Å; D106-V108 PolarHBondContact O-N 3.31Å; D106-V108 WeakPolarHBondContact OD1-CB 3.44Å; D106-V108 PolarHBondContact OD1-N 3.14Å; D106-F109 HydrophobicContact CB-CB 4.07Å; D106-F109 VanDerWaalsContact O-CB 3.32Å; D106-F109 WeakPolarHBondContact O-CB 3.49Å; D106-F109 PolarHBondContact O-N 3.29Å; D106-F109 VanDerWaalsContact O-N 3.1Å; D106-E110 PolarHBondContact O-N 3.35Å
107A96.9Very high94.8Very high1 Ų126.7 Ų26.71%0.00816%0.156CC..Hα-helixtrans-65.2-26.3176.200000113.3L68 F71 I72 R85 F90 F109 E110 L111L68-A107 HydrophobicContact CD1-CB 4.41Å; F71-A107 HydrophobicContact CB-CB 3.69Å; F71-A107 HydrophobicContact CD2-CB 4.28Å; I72-A107 HydrophobicContact CD1-CB 4.31Å; I72-A107 HydrophobicContact CG1-CB 3.82Å; R85-A107 WeakPolarHBondContact O-CB 3.28Å; R85-A107 PolarHBondContact O-N 3.37Å; F90-A107 HydrophobicContact CE2-CB 4.47Å; A107-F109 VanDerWaalsContact C-N 3.31Å; A107-E110 PolarHBondContact O-N 3.31Å; A107-L111 PolarHBondContact O-N 3.23Å
108V96.9Very high95.2Very high1 Ų124.6 Ų24.61%0.00615%0.147CC..Hα-helixtrans-66.4-37.3171.8178.70000110.2I72 D106 E110 L111 V112 K164 L165I72-V108 HydrophobicContact CD1-CG2 4.22Å; I72-V108 HydrophobicContact CG1-CG2 4.22Å; I72-V108 HydrophobicContact CG2-CG2 3.78Å; D106-V108 VanDerWaalsContact C-N 3.25Å; D106-V108 PolarHBondContact O-N 3.31Å; D106-V108 WeakPolarHBondContact OD1-CB 3.44Å; D106-V108 PolarHBondContact OD1-N 3.14Å; V108-E110 VanDerWaalsContact C-N 3.34Å; V108-E110 PolarHBondContact O-N 3.44Å; V108-L111 WeakPolarHBondContact O-CB 3.44Å; V108-L111 PolarHBondContact O-N 3.49Å; V108-V112 HydrophobicContact CG1-CG1 4.35Å; V108-V112 WeakPolarHBondContact O-CG1 3.32Å; V108-V112 WeakPolarHBondContact O-CG2 3.36Å; V108-V112 PolarHBondContact O-N 3.09Å; V108-K164 HydrophobicContact CG1-CB 4.35Å; V108-L165 HydrophobicContact CB-CD2 4.19Å; V108-L165 HydrophobicContact CG1-CD2 3.85Å; V108-L165 HydrophobicContact CG1-CG 4.46Å
109F97.2Very high95.8Very high7 Ų722.1 Ų22.13%0.03112%0.121CC..Hα-helixtrans-62.3-40.1174.9174.2-105.9000112.1F90 W92 Q104 D106 A107 V112 S113 L165 L175F90-F109 HydrophobicContact CB-CD1 4.09Å; F90-F109 HydrophobicContact CB-CE1 4.41Å; F90-F109 WeakPolarHBondContact O-CE1 3.24Å; W92-F109 HydrophobicContact CB-CZ 4.31Å; W92-F109 AromaticContact CD1-CE1 3.83Å; Q104-F109 HydrophobicContact CB-CB 3.9Å; Q104-F109 HydrophobicContact CB-CD1 3.66Å; Q104-F109 HydrophobicContact CB-CD2 4.2Å; Q104-F109 HydrophobicContact CB-CE1 4.2Å; Q104-F109 HydrophobicContact CB-CG 3.66Å; Q104-F109 HydrophobicContact CG-CB 4.43Å; Q104-F109 HydrophobicContact CG-CD1 4.09Å; Q104-F109 HydrophobicContact CG-CD2 3.88Å; Q104-F109 HydrophobicContact CG-CE1 4.28Å; Q104-F109 HydrophobicContact CG-CE2 4.09Å; Q104-F109 HydrophobicContact CG-CG 3.87Å; Q104-F109 HydrophobicContact CG-CZ 4.29Å; D106-F109 HydrophobicContact CB-CB 4.07Å; D106-F109 VanDerWaalsContact O-CB 3.32Å; D106-F109 WeakPolarHBondContact O-CB 3.49Å; D106-F109 PolarHBondContact O-N 3.29Å; D106-F109 VanDerWaalsContact O-N 3.1Å; A107-F109 VanDerWaalsContact C-N 3.31Å; F109-V112 WeakPolarHBondContact O-CG2 3.48Å; F109-S113 WeakPolarHBondContact O-CB 3.43Å; F109-S113 PolarHBondContact O-N 2.62Å; F109-S113 PolarHBondContact O-OG 3.35Å; F109-L165 HydrophobicContact CB-CD2 3.98Å; F109-L175 HydrophobicContact CD2-CD1 3.71Å; F109-L175 HydrophobicContact CE2-CD1 3.69Å
110E97.8Very high96.3Very high0 Ų015.2 Ų15.20%09%0.089CC..Hα-helixtrans-64.3-45.6171.517464.6-170.800112R40 Y64 L68 F90 W92 D106 A107 V108 V112 S113 M114R40-E110 IonicContact CZ-OE1 2.71Å; R40-E110 IonicContact CZ-OE2 2.84Å; R40-E110 IonicContact NE-OE1 3.2Å; R40-E110 PolarHBondContact NE-OE1 3.45Å; R40-E110 IonicContact NE-OE2 3.98Å; R40-E110 IonicContact NH2-OE1 2.74Å; R40-E110 PolarHBondContact NH2-OE1 2.63Å; R40-E110 IonicContact NH2-OE2 2.97Å; R40-E110 PolarHBondContact NH2-OE2 2.94Å; Y64-E110 VanDerWaalsContact OH-CD 3.31Å; Y64-E110 VanDerWaalsContact OH-CG 3.25Å; Y64-E110 WeakPolarHBondContact OH-CG 3.44Å; Y64-E110 PolarHBondContact OH-OE1 2.87Å; L68-E110 HydrophobicContact CD1-CG 4.23Å; L68-E110 HydrophobicContact CD2-CB 4.29Å; L68-E110 HydrophobicContact CD2-CG 3.72Å; F90-E110 HydrophobicContact CB-CB 4.22Å; F90-E110 HydrophobicContact CD1-CB 3.67Å; F90-E110 HydrophobicContact CD1-CG 3.68Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.49Å; F90-E110 HydrophobicContact CD2-CB 3.68Å; F90-E110 HydrophobicContact CE1-CB 3.8Å; F90-E110 HydrophobicContact CE1-CG 3.57Å; F90-E110 HydrophobicContact CE2-CB 3.81Å; F90-E110 HydrophobicContact CE2-CG 4.43Å; F90-E110 HydrophobicContact CG-CB 3.6Å; F90-E110 HydrophobicContact CG-CG 4.16Å; F90-E110 HydrophobicContact CZ-CB 3.86Å; F90-E110 HydrophobicContact CZ-CG 3.96Å; W92-E110 PolarHBondContact NE1-OE2 3.5Å; D106-E110 PolarHBondContact O-N 3.35Å; A107-E110 PolarHBondContact O-N 3.31Å; V108-E110 VanDerWaalsContact C-N 3.34Å; V108-E110 PolarHBondContact O-N 3.44Å; E110-V112 PolarHBondContact O-N 3.03Å; E110-S113 PolarHBondContact O-N 2.92Å; E110-M114 VanDerWaalsContact O-CB 3.27Å; E110-M114 WeakPolarHBondContact O-CB 3.02Å; E110-M114 PolarHBondContact O-N 2.88Å; E110-M114 WeakPolarHBondContact OE1-CE 3.39Å
111L98Very high96.7Very high2 Ų211.8 Ų11.81%0.017%0.067CC..Hα-helixtrans-56.6-50.6179.8-178.674.1000110.7F65 L68 I72 A107 V108 G115 F358F65-L111 HydrophobicContact CD1-CD1 3.5Å; F65-L111 HydrophobicContact CE1-CD1 3.86Å; F65-L111 HydrophobicContact CG-CD1 4.15Å; L68-L111 HydrophobicContact CD2-CB 3.99Å; L68-L111 HydrophobicContact CD2-CD1 4.09Å; I72-L111 HydrophobicContact CD1-CB 3.92Å; I72-L111 HydrophobicContact CD1-CD2 3.8Å; I72-L111 HydrophobicContact CD1-CG 4.31Å; A107-L111 PolarHBondContact O-N 3.23Å; V108-L111 WeakPolarHBondContact O-CB 3.44Å; V108-L111 PolarHBondContact O-N 3.49Å; L111-G115 PolarHBondContact O-N 2.99Å; L111-F358 HydrophobicContact CD1-CD1 4.08Å; L111-F358 HydrophobicContact CD1-CD2 4.48Å; L111-F358 HydrophobicContact CD1-CE1 3.73Å; L111-F358 HydrophobicContact CD1-CE2 4.15Å; L111-F358 HydrophobicContact CD1-CG 4.43Å; L111-F358 HydrophobicContact CD1-CZ 3.75Å; L111-F358 HydrophobicContact CD2-CD2 4.3Å; L111-F358 HydrophobicContact CD2-CE2 3.87Å; L111-F358 HydrophobicContact CD2-CZ 4.18Å; L111-F358 HydrophobicContact CG-CE1 4.25Å; L111-F358 HydrophobicContact CG-CE2 3.98Å; L111-F358 HydrophobicContact CG-CZ 3.75Å
112V97.6Very high97Very high0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-70-39.1-179.7-57.70000112.1V108 F109 E110 G115 F116 L157 H161 I162 L165 L175V108-V112 HydrophobicContact CG1-CG1 4.35Å; V108-V112 WeakPolarHBondContact O-CG1 3.32Å; V108-V112 WeakPolarHBondContact O-CG2 3.36Å; V108-V112 PolarHBondContact O-N 3.09Å; F109-V112 WeakPolarHBondContact O-CG2 3.48Å; E110-V112 PolarHBondContact O-N 3.03Å; V112-G115 PolarHBondContact O-N 3.45Å; V112-F116 VanDerWaalsContact O-CB 3.24Å; V112-F116 WeakPolarHBondContact O-CB 3.47Å; V112-F116 PolarHBondContact O-N 3.33Å; V112-L157 HydrophobicContact CB-CD2 4.29Å; V112-L157 HydrophobicContact CG1-CD2 4.19Å; V112-H161 HydrophobicContact CG1-CB 3.49Å; V112-H161 VanDerWaalsContact CG1-CB 3.49Å; V112-I162 HydrophobicContact CB-CG1 4.46Å; V112-I162 HydrophobicContact CG1-CG1 4.25Å; V112-L165 HydrophobicContact CG2-CD1 4.39Å; V112-L175 HydrophobicContact CB-CD2 4.12Å; V112-L175 HydrophobicContact CG2-CD1 3.57Å; V112-L175 HydrophobicContact CG2-CD2 3.74Å; V112-L175 HydrophobicContact CG2-CG 4.3Å
113S98Very high97.3Very high1 Ų19.7 Ų9.71%0.0075%0.051CC..Hα-helixtrans-69-43.4-178.6-62.90000112.3F109 E110 N117F109-S113 WeakPolarHBondContact O-CB 3.43Å; F109-S113 PolarHBondContact O-N 2.62Å; F109-S113 PolarHBondContact O-OG 3.35Å; E110-S113 PolarHBondContact O-N 2.92Å; S113-N117 PolarHBondContact O-N 3.14Å; S113-N117 VanDerWaalsContact O-N 3.15Å
114M98.6Very high97.5Very high0 Ų08.6 Ų8.60%04%0.04CC..Hα-helixtrans-66.9-44.4174.2-175.46877.500110.8R40 L43 L44 F47 Y64 F65 W92 E110 F116 N117 V118R40-M114 HydrophobicContact CG-CE 3.91Å; L43-M114 HydrophobicContact CD2-CE 4.41Å; L43-M114 HydrophobicContact CD2-CG 3.7Å; L43-M114 HydrophobicContact CD2-SD 3.73Å; L43-M114 HydrophobicContact CG-SD 4.14Å; L44-M114 HydrophobicContact CD1-CE 4.47Å; L44-M114 HydrophobicContact CD2-CE 3.96Å; L44-M114 HydrophobicContact CD2-SD 4.32Å; L44-M114 HydrophobicContact CG-CE 4Å; F47-M114 HydrophobicContact CE2-SD 3.6Å; F47-M114 VanDerWaalsContact CE2-SD 3.6Å; F47-M114 HydrophobicContact CZ-SD 3.68Å; Y64-M114 HydrophobicContact CD1-CE 4.41Å; Y64-M114 HydrophobicContact CD1-CG 4.02Å; Y64-M114 HydrophobicContact CE1-CB 4.25Å; Y64-M114 HydrophobicContact CE1-CE 3.84Å; Y64-M114 HydrophobicContact CE1-CG 3.82Å; F65-M114 HydrophobicContact CE1-CB 3.88Å; F65-M114 HydrophobicContact CE1-CG 3.82Å; F65-M114 HydrophobicContact CZ-CB 3.95Å; F65-M114 HydrophobicContact CZ-CG 3.7Å; W92-M114 HydrophobicContact CH2-CB 4.37Å; W92-M114 HydrophobicContact CH2-CE 3.79Å; W92-M114 HydrophobicContact CH2-SD 3.76Å; W92-M114 HydrophobicContact CZ2-CB 4.08Å; W92-M114 HydrophobicContact CZ2-CE 3.75Å; W92-M114 HydrophobicContact CZ2-SD 4.15Å; E110-M114 VanDerWaalsContact O-CB 3.27Å; E110-M114 WeakPolarHBondContact O-CB 3.02Å; E110-M114 PolarHBondContact O-N 2.88Å; E110-M114 WeakPolarHBondContact OE1-CE 3.39Å; M114-F116 VanDerWaalsContact C-N 3.28Å; M114-F116 PolarHBondContact O-N 3.42Å; M114-N117 WeakPolarHBondContact O-CA 3.4Å; M114-N117 WeakPolarHBondContact O-CB 3.31Å; M114-N117 PolarHBondContact O-N 3.31Å; M114-V118 WeakPolarHBondContact O-CG2 3.48Å; M114-V118 PolarHBondContact O-N 3.09Å
115G98.5Very high97.6Very high1 Ų19 Ų91%0.014%0.041CC..Hα-helixtrans-60-39.9177.700000112L111 V112 N117 V118 A119 I153L111-G115 PolarHBondContact O-N 2.99Å; V112-G115 PolarHBondContact O-N 3.45Å; G115-N117 VanDerWaalsContact C-N 3.29Å; G115-N117 PolarHBondContact O-N 3.48Å; G115-V118 WeakPolarHBondContact O-CB 3.3Å; G115-V118 PolarHBondContact O-N 2.65Å; G115-A119 PolarHBondContact O-N 3.06Å; G115-I153 WeakPolarHBondContact O-CG2 3.42Å
116F98.6Very high97.7Very high0 Ų05 Ų50%02%0.022CC..Hα-helixtrans-59.8-42.8173.6-161.9-73.3000110.7K11 T95 V112 M114 A119 L120 F154 L157 D174 L175 I180 Y183K11-F116 HydrophobicContact CD-CB 4.2Å; K11-F116 HydrophobicContact CD-CD1 3.78Å; K11-F116 HydrophobicContact CD-CG 4.24Å; T95-F116 HydrophobicContact CG2-CE1 4.09Å; V112-F116 VanDerWaalsContact O-CB 3.24Å; V112-F116 WeakPolarHBondContact O-CB 3.47Å; V112-F116 PolarHBondContact O-N 3.33Å; M114-F116 VanDerWaalsContact C-N 3.28Å; M114-F116 PolarHBondContact O-N 3.42Å; F116-A119 WeakPolarHBondContact O-CB 3.26Å; F116-A119 PolarHBondContact O-N 2.91Å; F116-L120 HydrophobicContact CD1-CD1 3.75Å; F116-L120 HydrophobicContact CD1-CG 3.86Å; F116-L120 HydrophobicContact CE1-CD1 3.86Å; F116-L120 HydrophobicContact CE1-CD2 4.04Å; F116-L120 HydrophobicContact CE1-CG 3.9Å; F116-L120 WeakPolarHBondContact O-CG 3.49Å; F116-L120 PolarHBondContact O-N 3.12Å; F116-F154 AromaticContact CD1-CE1 3.66Å; F116-F154 HydrophobicContact CD1-CE1 3.66Å; F116-F154 HydrophobicContact CD1-CZ 4.43Å; F116-F154 AromaticContact CD2-CD1 3.84Å; F116-F154 HydrophobicContact CD2-CD1 3.84Å; F116-F154 AromaticContact CD2-CE1 3.68Å; F116-F154 HydrophobicContact CD2-CE1 3.68Å; F116-F154 AromaticContact CE1-CE1 3.57Å; F116-F154 HydrophobicContact CE1-CE1 3.57Å; F116-F154 HydrophobicContact CE1-CZ 4.18Å; F116-F154 AromaticContact CE2-CD1 3.8Å; F116-F154 HydrophobicContact CE2-CD1 3.8Å; F116-F154 AromaticContact CE2-CE1 3.61Å; F116-F154 HydrophobicContact CE2-CE1 3.61Å; F116-F154 HydrophobicContact CG-CD1 4.25Å; F116-F154 AromaticContact CG-CE1 3.7Å; F116-F154 HydrophobicContact CG-CE1 3.7Å; F116-F154 HydrophobicContact CZ-CD1 4.16Å; F116-F154 AromaticContact CZ-CE1 3.55Å; F116-F154 HydrophobicContact CZ-CE1 3.55Å; F116-F154 HydrophobicContact CZ-CZ 4.34Å; F116-L157 HydrophobicContact CB-CD1 4.19Å; F116-L157 VanDerWaalsContact N-CD1 3.35Å; F116-D174 HydrophobicContact CD1-CB 4.3Å; F116-D174 HydrophobicContact CD2-CB 4.23Å; F116-D174 HydrophobicContact CE1-CB 3.91Å; F116-D174 HydrophobicContact CE2-CB 3.83Å; F116-D174 VanDerWaalsContact CE2-O 3.31Å; F116-D174 WeakPolarHBondContact CE2-O 3.19Å; F116-D174 HydrophobicContact CG-CB 4.46Å; F116-D174 HydrophobicContact CZ-CB 3.65Å; F116-L175 HydrophobicContact CD2-CD2 4.29Å; F116-I180 HydrophobicContact CD2-CD1 4.19Å; F116-I180 HydrophobicContact CE2-CB 4.28Å; F116-I180 HydrophobicContact CE2-CD1 4.11Å; F116-I180 HydrophobicContact CE2-CG1 4.01Å; F116-Y183 HydrophobicContact CE1-CD2 4.22Å; F116-Y183 HydrophobicContact CE1-CE2 4.02Å; F116-Y183 HydrophobicContact CE2-CD2 4.42Å; F116-Y183 AromaticContact CZ-CD2 3.5Å; F116-Y183 HydrophobicContact CZ-CD2 3.5Å; F116-Y183 VanDerWaalsContact CZ-CD2 3.5Å; F116-Y183 AromaticContact CZ-CE2 3.62Å; F116-Y183 HydrophobicContact CZ-CE2 3.62Å; F116-Y183 HydrophobicContact CZ-CG 4.24Å
117N98.1Very high97.6Very high0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-68.4-34.5178.4-142.732.4000113L10 K11 F47 W92 S113 M114 G115 L120 W121L10-N117 WeakPolarHBondContact CD2-OD1 3.45Å; K11-N117 PolarHBondContact N-OD1 2.92Å; K11-N117 PolarHBondContact O-ND2 3.35Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.49Å; F47-N117 HydrophobicContact CE2-CB 4.11Å; F47-N117 VanDerWaalsContact CE2-ND2 3.3Å; F47-N117 WeakPolarHBondContact CE2-ND2 2.77Å; F47-N117 HydrophobicContact CZ-CB 3.95Å; W92-N117 HydrophobicContact CZ3-CB 4.34Å; S113-N117 PolarHBondContact O-N 3.14Å; S113-N117 VanDerWaalsContact O-N 3.15Å; M114-N117 WeakPolarHBondContact O-CA 3.4Å; M114-N117 WeakPolarHBondContact O-CB 3.31Å; M114-N117 PolarHBondContact O-N 3.31Å; G115-N117 VanDerWaalsContact C-N 3.29Å; G115-N117 PolarHBondContact O-N 3.48Å; N117-L120 PolarHBondContact O-N 3.3Å; N117-W121 PolarHBondContact O-N 3.38Å
118V98.7Very high97.3Very high2 Ų29.1 Ų9.11%0.0124%0.04CC..Hα-helixtrans-61.2-44.9170.2174.90000110.6L43 F47 M57 T61 F65 M114 G115 L120 W121 Y122 I153L43-V118 HydrophobicContact CD1-CG2 4.38Å; L43-V118 HydrophobicContact CD2-CG2 4.43Å; F47-V118 HydrophobicContact CE1-CB 4.49Å; F47-V118 HydrophobicContact CE1-CG2 3.91Å; F47-V118 HydrophobicContact CZ-CG2 3.91Å; M57-V118 HydrophobicContact CG-CG1 4.27Å; M57-V118 HydrophobicContact SD-CG1 4.32Å; M57-V118 HydrophobicContact SD-CG2 4.37Å; T61-V118 HydrophobicContact CG2-CG1 4.31Å; T61-V118 HydrophobicContact CG2-CG2 4.32Å; F65-V118 HydrophobicContact CE2-CG2 4.42Å; M114-V118 WeakPolarHBondContact O-CG2 3.48Å; M114-V118 PolarHBondContact O-N 3.09Å; G115-V118 WeakPolarHBondContact O-CB 3.3Å; G115-V118 PolarHBondContact O-N 2.65Å; V118-L120 PolarHBondContact O-N 3.33Å; V118-W121 WeakPolarHBondContact O-CB 3.43Å; V118-W121 PolarHBondContact O-N 2.96Å; V118-Y122 HydrophobicContact CG1-CD2 4.07Å; V118-Y122 HydrophobicContact CG1-CE2 3.82Å; V118-Y122 VanDerWaalsContact O-CD2 3.3Å; V118-Y122 WeakPolarHBondContact O-CD2 3.48Å; V118-Y122 PolarHBondContact O-N 2.99Å; V118-Y122 VanDerWaalsContact O-N 3.09Å; V118-I153 HydrophobicContact CG1-CD1 4.09Å
119A98.7Very high97.1Very high0 Ų09.4 Ų9.40%04%0.041CC..Hα-helixtrans-61.1-44.7174.900000111.8G115 F116 W121 Y122 T123 A150 I153 F154G115-A119 PolarHBondContact O-N 3.06Å; F116-A119 WeakPolarHBondContact O-CB 3.26Å; F116-A119 PolarHBondContact O-N 2.91Å; A119-W121 VanDerWaalsContact C-N 3.3Å; A119-W121 PolarHBondContact O-N 3Å; A119-Y122 PolarHBondContact O-N 2.71Å; A119-Y122 VanDerWaalsContact O-N 3.15Å; A119-T123 WeakPolarHBondContact O-CG2 3.38Å; A119-T123 PolarHBondContact O-N 2.73Å; A119-T123 VanDerWaalsContact O-N 3.08Å; A119-A150 HydrophobicContact CB-CB 4.39Å; A119-A150 WeakPolarHBondContact O-CB 3.37Å; A119-I153 HydrophobicContact CB-CB 3.89Å; A119-I153 HydrophobicContact CB-CD1 4.33Å; A119-I153 HydrophobicContact CB-CG2 3.8Å; A119-F154 HydrophobicContact CB-CD1 3.87Å; A119-F154 HydrophobicContact CB-CD2 3.96Å; A119-F154 HydrophobicContact CB-CE1 3.51Å; A119-F154 HydrophobicContact CB-CE2 3.62Å; A119-F154 HydrophobicContact CB-CG 4.07Å; A119-F154 HydrophobicContact CB-CZ 3.38Å
120L98.4Very high96.8Very high2 Ų29 Ų91%0.014%0.04CC..Hα-helixtrans-58-41.3174-69.9174.5000112L10 K11 T95 F116 N117 V118 Y122 T123 K124 F154 Y183L10-L120 HydrophobicContact CD2-CB 3.79Å; K11-L120 HydrophobicContact CG-CD1 4.1Å; T95-L120 HydrophobicContact CG2-CD1 3.54Å; T95-L120 HydrophobicContact CG2-CD2 4.22Å; F116-L120 HydrophobicContact CD1-CD1 3.75Å; F116-L120 HydrophobicContact CD1-CG 3.86Å; F116-L120 HydrophobicContact CE1-CD1 3.86Å; F116-L120 HydrophobicContact CE1-CD2 4.04Å; F116-L120 HydrophobicContact CE1-CG 3.9Å; F116-L120 WeakPolarHBondContact O-CG 3.49Å; F116-L120 PolarHBondContact O-N 3.12Å; N117-L120 PolarHBondContact O-N 3.3Å; V118-L120 PolarHBondContact O-N 3.33Å; L120-Y122 PolarHBondContact O-N 3.02Å; L120-T123 PolarHBondContact O-N 3.44Å; L120-T123 PolarHBondContact O-OG1 3.01Å; L120-K124 WeakPolarHBondContact O-CG 3.2Å; L120-K124 PolarHBondContact O-N 3.34Å; L120-F154 HydrophobicContact CD2-CZ 4.11Å; L120-F154 HydrophobicContact CG-CZ 4.3Å; L120-Y183 HydrophobicContact CD2-CD1 4.29Å; L120-Y183 HydrophobicContact CD2-CE1 3.63Å
121W98.3Very high96.3Very high13 Ų1310.7 Ų10.75%0.0496%0.056CC..Hα-helixtrans-59.1-45.2175.3177.891.1000111.9L46 F47 C52 P54 M57 N117 V118 A119 T123 K124 Y125L46-W121 PolarHBondContact O-NE1 3.23Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.11Å; F47-W121 HydrophobicContact CE1-CB 4.2Å; C52-W121 HydrophobicContact CB-CZ2 3.92Å; C52-W121 WeakPolarHBondContact SG-CZ2 3.36Å; P54-W121 HydrophobicContact CG-CH2 4.44Å; M57-W121 HydrophobicContact CB-CD2 4.37Å; M57-W121 HydrophobicContact CB-CE3 3.94Å; M57-W121 HydrophobicContact CB-CH2 3.71Å; M57-W121 HydrophobicContact CB-CZ2 4.12Å; M57-W121 HydrophobicContact CB-CZ3 3.59Å; M57-W121 HydrophobicContact CE-CB 4.34Å; M57-W121 HydrophobicContact CE-CD2 3.55Å; M57-W121 HydrophobicContact CE-CE3 4.16Å; M57-W121 HydrophobicContact CE-CG 3.62Å; M57-W121 HydrophobicContact CE-CZ2 4.35Å; M57-W121 HydrophobicContact CG-CD2 3.98Å; M57-W121 HydrophobicContact CG-CE3 3.54Å; M57-W121 HydrophobicContact CG-CH2 4.28Å; M57-W121 HydrophobicContact CG-CZ3 3.71Å; M57-W121 HydrophobicContact SD-CD2 4.44Å; N117-W121 PolarHBondContact O-N 3.38Å; V118-W121 WeakPolarHBondContact O-CB 3.43Å; V118-W121 PolarHBondContact O-N 2.96Å; A119-W121 VanDerWaalsContact C-N 3.3Å; A119-W121 PolarHBondContact O-N 3Å; W121-T123 VanDerWaalsContact C-N 3.3Å; W121-T123 PolarHBondContact O-N 3.43Å; W121-K124 PolarHBondContact O-N 3.12Å; W121-K124 VanDerWaalsContact O-N 3.09Å; W121-Y125 AromaticContact CH2-CD2 3.97Å; W121-Y125 HydrophobicContact CH2-CD2 3.97Å; W121-Y125 HydrophobicContact CH2-CG 4.06Å; W121-Y125 HydrophobicContact CZ2-CD2 4.04Å; W121-Y125 HydrophobicContact CZ2-CG 4.39Å; W121-Y125 HydrophobicContact CZ3-CG 4.45Å; W121-Y125 WeakPolarHBondContact O-CB 3.46Å; W121-Y125 PolarHBondContact O-N 3.03Å
122Y98.7Very high95.8Very high15 Ų1514.1 Ų14.16%0.0597%0.071CC..Hα-helixtrans-60-40175.8-83.9-75.4000111.8P54 M57 V118 A119 L120 K124 A126 I149 I153P54-Y122 HydrophobicContact CB-CE1 4.08Å; P54-Y122 PolarHBondContact O-OH 3.07Å; M57-Y122 HydrophobicContact CG-CE2 4.24Å; V118-Y122 HydrophobicContact CG1-CD2 4.07Å; V118-Y122 HydrophobicContact CG1-CE2 3.82Å; V118-Y122 VanDerWaalsContact O-CD2 3.3Å; V118-Y122 WeakPolarHBondContact O-CD2 3.48Å; V118-Y122 PolarHBondContact O-N 2.99Å; V118-Y122 VanDerWaalsContact O-N 3.09Å; A119-Y122 PolarHBondContact O-N 2.71Å; A119-Y122 VanDerWaalsContact O-N 3.15Å; L120-Y122 PolarHBondContact O-N 3.02Å; Y122-K124 VanDerWaalsContact C-N 3.34Å; Y122-K124 PolarHBondContact O-N 2.98Å; Y122-A126 VanDerWaalsContact O-CB 3.31Å; Y122-A126 WeakPolarHBondContact O-CB 3.31Å; Y122-A126 PolarHBondContact O-N 3.34Å; Y122-I149 HydrophobicContact CD1-CB 4.48Å; Y122-I149 HydrophobicContact CD1-CG2 4.2Å; Y122-I149 HydrophobicContact CD2-CG2 3.95Å; Y122-I149 HydrophobicContact CE1-CD1 4.28Å; Y122-I149 HydrophobicContact CE1-CG2 4.07Å; Y122-I149 HydrophobicContact CE2-CG2 3.82Å; Y122-I149 HydrophobicContact CG-CG2 4.16Å; Y122-I153 HydrophobicContact CD2-CD1 3.9Å; Y122-I153 HydrophobicContact CE2-CD1 4.03Å
123T98.3Very high94.8Very high4 Ų417.6 Ų17.63%0.0259%0.088CC..Hα-helixtrans-64.2-39.1174.974.20000112.1R7 A119 L120 W121 A126 S127 A150 F154 C187R7-T123 VanDerWaalsContact CZ-O 3.28Å; R7-T123 VanDerWaalsContact NE-C 3.25Å; R7-T123 PolarHBondContact NE-O 3.48Å; R7-T123 PolarHBondContact NH2-O 2.86Å; A119-T123 WeakPolarHBondContact O-CG2 3.38Å; A119-T123 PolarHBondContact O-N 2.73Å; A119-T123 VanDerWaalsContact O-N 3.08Å; L120-T123 PolarHBondContact O-N 3.44Å; L120-T123 PolarHBondContact O-OG1 3.01Å; W121-T123 VanDerWaalsContact C-N 3.3Å; W121-T123 PolarHBondContact O-N 3.43Å; T123-A126 PolarHBondContact O-N 3.35Å; T123-S127 PolarHBondContact O-N 3.19Å; T123-S127 PolarHBondContact O-OG 2.93Å; T123-A150 HydrophobicContact CG2-CB 3.65Å; T123-F154 HydrophobicContact CG2-CE2 4.38Å; T123-C187 VanDerWaalsContact CG2-SG 3.58Å
124K96.3Very high94.1Very high28 Ų2824.6 Ų24.612%0.12213%0.125CC..Hα-helixtrans-72-41.4179.9-75.4174.4-177.3-92.10112R7 N8 L10 L120 W121 Y122 A126 S127 R128 E397R7-K124 HydrophobicContact CB-CG 4.35Å; R7-K124 HydrophobicContact CG-CG 4.1Å; N8-K124 WeakPolarHBondContact O-CE 3.21Å; N8-K124 PolarHBondContact O-NZ 2.84Å; L10-K124 HydrophobicContact CD1-CD 4.3Å; L10-K124 HydrophobicContact CD2-CD 3.88Å; L10-K124 HydrophobicContact CG-CD 3.76Å; L120-K124 WeakPolarHBondContact O-CG 3.2Å; L120-K124 PolarHBondContact O-N 3.34Å; W121-K124 PolarHBondContact O-N 3.12Å; W121-K124 VanDerWaalsContact O-N 3.09Å; Y122-K124 VanDerWaalsContact C-N 3.34Å; Y122-K124 PolarHBondContact O-N 2.98Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.49Å; K124-S127 VanDerWaalsContact CA-OG 3.31Å; K124-S127 WeakPolarHBondContact CA-OG 3.42Å; K124-S127 PolarHBondContact O-N 2.92Å; K124-S127 PolarHBondContact O-OG 3.48Å; K124-R128 WeakPolarHBondContact O-CB 3.23Å; K124-R128 PolarHBondContact O-N 3.34Å; K124-E397 VanDerWaalsContact CE-OE1 3.29Å; K124-E397 WeakPolarHBondContact CE-OE1 3.39Å; K124-E397 IonicContact NZ-OE1 3.47Å; K124-E397 PolarHBondContact NZ-OE1 3.48Å; K124-E397 IonicContact NZ-OE2 3.47Å; K124-E397 PolarHBondContact NZ-OE2 3.26Å
125Y96.1Very high93.6Very high24 Ų2426.1 Ų26.19%0.09413%0.133CC..Hα-helixtrans-55.9-50.1170.9177.3-95.3000110.4P54 W121 S127 R128 L129 D142 S146P54-Y125 HydrophobicContact CG-CD1 4.27Å; P54-Y125 HydrophobicContact CG-CE1 3.71Å; W121-Y125 AromaticContact CH2-CD2 3.97Å; W121-Y125 HydrophobicContact CH2-CD2 3.97Å; W121-Y125 HydrophobicContact CH2-CG 4.06Å; W121-Y125 HydrophobicContact CZ2-CD2 4.04Å; W121-Y125 HydrophobicContact CZ2-CG 4.39Å; W121-Y125 HydrophobicContact CZ3-CG 4.45Å; W121-Y125 WeakPolarHBondContact O-CB 3.46Å; W121-Y125 PolarHBondContact O-N 3.03Å; Y125-S127 PolarHBondContact O-N 3.28Å; Y125-R128 PolarHBondContact O-N 3.24Å; Y125-L129 HydrophobicContact CD1-CD1 4.1Å; Y125-L129 HydrophobicContact CE1-CD1 3.39Å; Y125-L129 HydrophobicContact CE1-CG 4.29Å; Y125-L129 HydrophobicContact CE2-CD1 4.36Å; Y125-L129 PolarHBondContact O-N 3Å; Y125-L129 VanDerWaalsContact O-N 3.11Å; Y125-D142 HydrophobicContact CE1-CB 4.44Å; Y125-S146 WeakPolarHBondContact CD1-OG 3.38Å
126A96.3Very high93.2Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-59.4-46.9176.700000112.4Y122 T123 K124 R128 L129 A130 V143 L147Y122-A126 VanDerWaalsContact O-CB 3.31Å; Y122-A126 WeakPolarHBondContact O-CB 3.31Å; Y122-A126 PolarHBondContact O-N 3.34Å; T123-A126 PolarHBondContact O-N 3.35Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.49Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.04Å; A126-L129 PolarHBondContact O-N 3.49Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.46Å; A126-A130 PolarHBondContact O-N 3Å; A126-V143 HydrophobicContact CB-CG1 4.05Å; A126-L147 HydrophobicContact CB-CD1 4.28Å; A126-L147 HydrophobicContact CB-CD2 3.91Å; A126-L147 HydrophobicContact CB-CG 3.69Å
127S93.8Very high92.9Very high17 Ų1733.7 Ų33.712%0.11917%0.173CC..Hα-helixtrans-65.2-35.6179.254.30000113.4R7 T123 K124 Y125 A130 G131R7-S127 PolarHBondContact NE-OG 2.87Å; T123-S127 PolarHBondContact O-N 3.19Å; T123-S127 PolarHBondContact O-OG 2.93Å; K124-S127 VanDerWaalsContact CA-OG 3.31Å; K124-S127 WeakPolarHBondContact CA-OG 3.42Å; K124-S127 PolarHBondContact O-N 2.92Å; K124-S127 PolarHBondContact O-OG 3.48Å; Y125-S127 PolarHBondContact O-N 3.28Å; S127-A130 PolarHBondContact O-N 2.72Å; S127-G131 PolarHBondContact O-N 2.87Å; S127-G131 VanDerWaalsContact O-N 3.1Å
128R91.5Very high92.6Very high75 Ų7538.6 Ų38.628%0.28320%0.199SC..Hα-helixtrans-65.4-44177.4-179.2-179.864.7143.2-6.9111L50 K124 Y125 A126L50-R128 PolarHBondContact O-NH1 3.19Å; L50-R128 PolarHBondContact O-NH2 3.47Å; K124-R128 WeakPolarHBondContact O-CB 3.23Å; K124-R128 PolarHBondContact O-N 3.34Å; Y125-R128 PolarHBondContact O-N 3.24Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.04Å
129L92.6Very high92.4Very high6 Ų640.4 Ų40.43%0.03121%0.207CC..Hα-helixtrans-65.8-45175.1-71.1-175.3000111.6Y125 A126 G131 K132 E139 D142 V143Y125-L129 HydrophobicContact CD1-CD1 4.1Å; Y125-L129 HydrophobicContact CE1-CD1 3.39Å; Y125-L129 HydrophobicContact CE1-CG 4.29Å; Y125-L129 HydrophobicContact CE2-CD1 4.36Å; Y125-L129 PolarHBondContact O-N 3Å; Y125-L129 VanDerWaalsContact O-N 3.11Å; A126-L129 PolarHBondContact O-N 3.49Å; L129-G131 PolarHBondContact O-N 3.38Å; L129-K132 HydrophobicContact CD2-CD 4.17Å; L129-K132 VanDerWaalsContact CD2-NZ 3.34Å; L129-K132 WeakPolarHBondContact O-CB 3.3Å; L129-K132 PolarHBondContact O-N 3.43Å; L129-K132 VanDerWaalsContact O-N 3.1Å; L129-E139 HydrophobicContact CD2-CG 4.45Å; L129-D142 HydrophobicContact CD1-CB 4.01Å; L129-V143 HydrophobicContact CB-CG2 3.55Å; L129-V143 HydrophobicContact CD1-CG2 4.36Å
130A90.8Very high92.2Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-62.2-26.3-17800000114.1T2 H3 F5 A126 S127 V143T2-A130 WeakPolarHBondContact CA-O 3.49Å; H3-A130 HydrophobicContact CB-CB 4.11Å; H3-A130 PolarHBondContact N-O 2.89Å; H3-A130 CarbonylContact O-C 3.59Å; F5-A130 HydrophobicContact CD2-CB 4.16Å; F5-A130 HydrophobicContact CE2-CB 3.66Å; F5-A130 HydrophobicContact CZ-CB 4.47Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.46Å; A126-A130 PolarHBondContact O-N 3Å; S127-A130 PolarHBondContact O-N 2.72Å; A130-V143 HydrophobicContact CB-CG1 4Å; A130-V143 HydrophobicContact CB-CG2 4.17Å
131G86.7Confident92Very high34 Ų3446.5 Ų46.535%0.35124%0.239SC..THydrogen-bonded Turntrans-84.1-6.1177.700000115.4S127 L129S127-G131 PolarHBondContact O-N 2.87Å; S127-G131 VanDerWaalsContact O-N 3.1Å; L129-G131 PolarHBondContact O-N 3.38Å
132K86.8Confident92Very high75 Ų7548.8 Ų48.833%0.32625%0.252SS..  trans-68.4131.2176.2-70.7176167.9177.60110.4T2 L129 D134 I135 E139T2-K132 WeakPolarHBondContact CG2-O 3.47Å; L129-K132 HydrophobicContact CD2-CD 4.17Å; L129-K132 VanDerWaalsContact CD2-NZ 3.34Å; L129-K132 WeakPolarHBondContact O-CB 3.3Å; L129-K132 PolarHBondContact O-N 3.43Å; L129-K132 VanDerWaalsContact O-N 3.1Å; K132-D134 VanDerWaalsContact C-N 3.3Å; K132-D134 PolarHBondContact O-N 2.89Å; K132-I135 HydrophobicContact CB-CB 4.44Å; K132-I135 PolarHBondContact O-N 3.34Å; K132-E139 IonicContact NZ-OE1 3.25Å; K132-E139 PolarHBondContact NZ-OE1 3.48Å
133E77.6Confident91.9Very high73 Ų7348.1 Ų48.134%0.34125%0.25SC..THydrogen-bonded Turntrans-58.5-42.6177.8-71.7174.4-172.800112Q403 D405E133-Q403 HydrophobicContact CG-CB 4.41Å; E133-Q403 WeakPolarHBondContact OE1-CB 3.46Å; E133-D405 PolarHBondContact OE1-N 2.88Å
134D82.7Confident91.9Very high148 Ų14850.2 Ų50.279%0.79126%0.259SS*.THydrogen-bonded Turntrans-103.347.2-179-60.5-40.9000112.8K132 T136K132-D134 VanDerWaalsContact C-N 3.3Å; K132-D134 PolarHBondContact O-N 2.89Å; D134-T136 PolarHBondContact O-N 3.29Å
135I87.6Confident92Very high32 Ų3256.6 Ų56.616%0.16428%0.282CS..  trans-60.3126.7176.7-171.8174.7000111.4K132 E139 A140 V143K132-I135 HydrophobicContact CB-CB 4.44Å; K132-I135 PolarHBondContact O-N 3.34Å; I135-E139 WeakPolarHBondContact CA-OE2 3.41Å; I135-E139 HydrophobicContact CD1-CB 4.3Å; I135-E139 HydrophobicContact CG1-CB 3.66Å; I135-A140 HydrophobicContact CD1-CB 4.11Å; I135-V143 HydrophobicContact CD1-CG2 4.07Å
136T91.3Very high92.1Very high73 Ų7355.6 Ų55.645%0.44828%0.279SS..  trans-80.3165.2176.874.50000112.2D134 D138 E139 A140D134-T136 PolarHBondContact O-N 3.29Å; T136-D138 VanDerWaalsContact C-N 3.28Å; T136-D138 PolarHBondContact O-N 2.87Å; T136-E139 PolarHBondContact N-OE2 3.39Å; T136-E139 PolarHBondContact O-N 3.47Å; T136-E139 WeakPolarHBondContact OG1-CG 3.41Å; T136-E139 PolarHBondContact OG1-N 3.22Å; T136-A140 PolarHBondContact O-N 3.07Å
137E90.9Very high92.2Very high86 Ų8655.6 Ų55.640%0.40228%0.279SS..Hα-helixtrans-59.3-40.5175.6-171.9-176.5126.900111.7A140 K141 R198E137-A140 WeakPolarHBondContact O-CB 3.41Å; E137-A140 PolarHBondContact O-N 2.89Å; E137-K141 WeakPolarHBondContact O-CG 3.3Å; E137-K141 PolarHBondContact O-N 3.35Å; E137-K141 WeakPolarHBondContact OE1-CE 3.38Å; E137-K141 IonicContact OE1-NZ 2.81Å; E137-K141 PolarHBondContact OE1-NZ 3Å; E137-R198 VanDerWaalsContact CD-NH2 3.31Å; E137-R198 IonicContact OE1-CZ 3.87Å; E137-R198 IonicContact OE1-NH2 3.52Å; E137-R198 PolarHBondContact OE1-NH2 3.01Å; E137-R198 IonicContact OE2-CZ 3.21Å; E137-R198 IonicContact OE2-NH1 2.87Å; E137-R198 PolarHBondContact OE2-NH1 3.21Å; E137-R198 IonicContact OE2-NH2 2.99Å; E137-R198 PolarHBondContact OE2-NH2 3.18Å
138D93.6Very high92.4Very high103 Ų10357.3 Ų57.355%0.55128%0.284SS*.Hα-helixtrans-70.7-36.7-179.5-66-29.8000111.8T136 A140 K141 D142T136-D138 VanDerWaalsContact C-N 3.28Å; T136-D138 PolarHBondContact O-N 2.87Å; D138-A140 VanDerWaalsContact C-N 3.32Å; D138-A140 PolarHBondContact O-N 3.15Å; D138-K141 WeakPolarHBondContact O-CB 3.39Å; D138-K141 PolarHBondContact O-N 3.31Å; D138-K141 IonicContact OD1-NZ 2.62Å; D138-K141 PolarHBondContact OD1-NZ 3.38Å; D138-D142 PolarHBondContact O-N 3.33Å
139E94.3Very high92.8Very high40 Ų4055.2 Ų55.219%0.18728%0.278CS..Hα-helixtrans-64.7-36.3171.4-71.5178.1140.200112.1L129 K132 I135 T136 D142 V143L129-E139 HydrophobicContact CD2-CG 4.45Å; K132-E139 IonicContact NZ-OE1 3.25Å; K132-E139 PolarHBondContact NZ-OE1 3.48Å; I135-E139 WeakPolarHBondContact CA-OE2 3.41Å; I135-E139 HydrophobicContact CD1-CB 4.3Å; I135-E139 HydrophobicContact CG1-CB 3.66Å; T136-E139 PolarHBondContact N-OE2 3.39Å; T136-E139 PolarHBondContact O-N 3.47Å; T136-E139 WeakPolarHBondContact OG1-CG 3.41Å; T136-E139 PolarHBondContact OG1-N 3.22Å; E139-D142 WeakPolarHBondContact O-CB 3.32Å; E139-D142 PolarHBondContact O-N 3.01Å; E139-V143 WeakPolarHBondContact O-CG2 3.2Å; E139-V143 PolarHBondContact O-N 3.23Å
140A93.4Very high93.1Very high27 Ų2755 Ų5522%0.22328%0.277CS..Hα-helixtrans-66-38.517400000111.9I135 T136 E137 D138 D142 V143 H144 V194I135-A140 HydrophobicContact CD1-CB 4.11Å; T136-A140 PolarHBondContact O-N 3.07Å; E137-A140 WeakPolarHBondContact O-CB 3.41Å; E137-A140 PolarHBondContact O-N 2.89Å; D138-A140 VanDerWaalsContact C-N 3.32Å; D138-A140 PolarHBondContact O-N 3.15Å; A140-D142 VanDerWaalsContact C-N 3.31Å; A140-D142 PolarHBondContact O-N 3.19Å; A140-V143 PolarHBondContact O-N 3.3Å; A140-H144 PolarHBondContact O-N 2.84Å; A140-V194 HydrophobicContact CB-CG1 4.4Å
141K95.6Very high93.4Very high103 Ų10355 Ų5545%0.44828%0.277SS..Hα-helixtrans-61.6-40.7171-69.7170.6-168.4148.40111.2E137 D138 H144 R145E137-K141 WeakPolarHBondContact O-CG 3.3Å; E137-K141 PolarHBondContact O-N 3.35Å; E137-K141 WeakPolarHBondContact OE1-CE 3.38Å; E137-K141 IonicContact OE1-NZ 2.81Å; E137-K141 PolarHBondContact OE1-NZ 3Å; D138-K141 WeakPolarHBondContact O-CB 3.39Å; D138-K141 PolarHBondContact O-N 3.31Å; D138-K141 IonicContact OD1-NZ 2.62Å; D138-K141 PolarHBondContact OD1-NZ 3.38Å; K141-H144 PolarHBondContact O-N 3.44Å; K141-R145 VanDerWaalsContact O-CB 3.3Å; K141-R145 WeakPolarHBondContact O-CB 3.25Å; K141-R145 PolarHBondContact O-N 2.77Å
142D96.6Very high94Very high61 Ų6153.5 Ų53.533%0.32626%0.262SS..Hα-helixtrans-65.6-39.8177-81.9-10000112.6Y125 L129 D138 E139 A140 R145 S146Y125-D142 HydrophobicContact CE1-CB 4.44Å; L129-D142 HydrophobicContact CD1-CB 4.01Å; D138-D142 PolarHBondContact O-N 3.33Å; E139-D142 WeakPolarHBondContact O-CB 3.32Å; E139-D142 PolarHBondContact O-N 3.01Å; A140-D142 VanDerWaalsContact C-N 3.31Å; A140-D142 PolarHBondContact O-N 3.19Å; D142-R145 PolarHBondContact O-N 3.11Å; D142-S146 WeakPolarHBondContact O-CB 3.35Å; D142-S146 PolarHBondContact O-N 3.13Å; D142-S146 PolarHBondContact O-OG 3.2Å
143V97.6Very high94.6Very high2 Ų250 Ų501%0.01225%0.247CC..Hα-helixtrans-58.2-53.6172.5175.40000109.9F5 A126 L129 A130 I135 E139 A140 R145 S146 L147 V194F5-V143 HydrophobicContact CE2-CG1 4.13Å; A126-V143 HydrophobicContact CB-CG1 4.05Å; L129-V143 HydrophobicContact CB-CG2 3.55Å; L129-V143 HydrophobicContact CD1-CG2 4.36Å; A130-V143 HydrophobicContact CB-CG1 4Å; A130-V143 HydrophobicContact CB-CG2 4.17Å; I135-V143 HydrophobicContact CD1-CG2 4.07Å; E139-V143 WeakPolarHBondContact O-CG2 3.2Å; E139-V143 PolarHBondContact O-N 3.23Å; A140-V143 PolarHBondContact O-N 3.3Å; V143-R145 PolarHBondContact O-N 3.22Å; V143-S146 PolarHBondContact O-N 2.91Å; V143-L147 HydrophobicContact CG1-CD1 3.96Å; V143-L147 WeakPolarHBondContact O-CG 3.43Å; V143-L147 PolarHBondContact O-N 3.16Å; V143-L147 VanDerWaalsContact O-N 3.08Å; V143-V194 HydrophobicContact CG1-CG2 3.85Å
144H97.8Very high95.6Very high47 Ų4746.5 Ų46.522%0.21823%0.23CC..Hα-helixtrans-59-47.2-180175-100.8000111.8A140 K141 K148 A191 V194A140-H144 PolarHBondContact O-N 2.84Å; K141-H144 PolarHBondContact O-N 3.44Å; H144-K148 VanDerWaalsContact CE1-CD 3.41Å; H144-K148 WeakPolarHBondContact CE1-CD 3.35Å; H144-K148 WeakPolarHBondContact O-CG 3.08Å; H144-K148 PolarHBondContact O-N 3.28Å; H144-A191 PolarHBondContact CD2-O 2.84Å; H144-V194 HydrophobicContact CB-CB 4.22Å; H144-V194 HydrophobicContact CB-CG1 4.01Å
145R98.1Very high96.3Very high163 Ų16343.1 Ų43.162%0.61521%0.208SC*.Hα-helixtrans-63.1-44.9178.5-176.9178.2-179.2167.90.9111.9K141 D142 V143 L147 K148 I149K141-R145 VanDerWaalsContact O-CB 3.3Å; K141-R145 WeakPolarHBondContact O-CB 3.25Å; K141-R145 PolarHBondContact O-N 2.77Å; D142-R145 PolarHBondContact O-N 3.11Å; V143-R145 PolarHBondContact O-N 3.22Å; R145-L147 PolarHBondContact O-N 3.13Å; R145-K148 PolarHBondContact O-N 3.22Å; R145-I149 HydrophobicContact CG-CD1 3.86Å; R145-I149 HydrophobicContact CG-CG1 4.45Å; R145-I149 WeakPolarHBondContact O-CG1 3.25Å; R145-I149 PolarHBondContact O-N 3.24Å
146S98.5Very high96.8Very high3 Ų343.2 Ų43.22%0.02121%0.208CC..Hα-helixtrans-63.7-42.3-177.3-62.90000112Y125 D142 V143 K148 I149 A150Y125-S146 WeakPolarHBondContact CD1-OG 3.38Å; D142-S146 WeakPolarHBondContact O-CB 3.35Å; D142-S146 PolarHBondContact O-N 3.13Å; D142-S146 PolarHBondContact O-OG 3.2Å; V143-S146 PolarHBondContact O-N 2.91Å; S146-K148 PolarHBondContact O-N 3.33Å; S146-I149 PolarHBondContact O-N 3.01Å; S146-A150 PolarHBondContact O-N 3.34Å
147L98.7Very high97.1Very high0 Ų039.8 Ų39.80%019%0.187CC..Hα-helixtrans-63.6-40.6175.9-69.8166.4000111.9F5 A126 V143 R145 A150 A151 C187 E190 A191F5-L147 HydrophobicContact CE2-CD1 4.15Å; F5-L147 HydrophobicContact CZ-CD1 4.42Å; A126-L147 HydrophobicContact CB-CD1 4.28Å; A126-L147 HydrophobicContact CB-CD2 3.91Å; A126-L147 HydrophobicContact CB-CG 3.69Å; V143-L147 HydrophobicContact CG1-CD1 3.96Å; V143-L147 WeakPolarHBondContact O-CG 3.43Å; V143-L147 PolarHBondContact O-N 3.16Å; V143-L147 VanDerWaalsContact O-N 3.08Å; R145-L147 PolarHBondContact O-N 3.13Å; L147-A150 PolarHBondContact O-N 2.8Å; L147-A151 PolarHBondContact O-N 3.18Å; L147-C187 WeakPolarHBondContact O-CB 3.23Å; L147-E190 HydrophobicContact CD1-CB 3.76Å; L147-E190 HydrophobicContact CD2-CB 4.15Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.47Å; L147-A191 HydrophobicContact CB-CB 3.89Å; L147-A191 HydrophobicContact CD1-CB 4.22Å
148K98.5Very high97.4Very high52 Ų5238.8 Ų38.823%0.22618%0.181CC..Hα-helixtrans-66.4-36.4175.7-68.5178.468-176.10113.3H144 R145 S146 G152 A191 V351 E352 V354H144-K148 VanDerWaalsContact CE1-CD 3.41Å; H144-K148 WeakPolarHBondContact CE1-CD 3.35Å; H144-K148 WeakPolarHBondContact O-CG 3.08Å; H144-K148 PolarHBondContact O-N 3.28Å; R145-K148 PolarHBondContact O-N 3.22Å; S146-K148 PolarHBondContact O-N 3.33Å; K148-G152 PolarHBondContact O-N 2.99Å; K148-A191 HydrophobicContact CG-CB 4.26Å; K148-V351 HydrophobicContact CD-CG1 3.84Å; K148-V351 HydrophobicContact CG-CG1 3.51Å; K148-E352 WeakPolarHBondContact CE-O 3.18Å; K148-V354 HydrophobicContact CB-CG2 3.84Å; K148-V354 PolarHBondContact O-N 2.8Å
149I98.6Very high97.6Very high32 Ų3239.3 Ų39.316%0.16418%0.181CC..Hα-helixtrans-64.9-46.5173-70.6168.6000109.8Y122 R145 S146 A151 G152 I153 V354Y122-I149 HydrophobicContact CD1-CB 4.48Å; Y122-I149 HydrophobicContact CD1-CG2 4.2Å; Y122-I149 HydrophobicContact CD2-CG2 3.95Å; Y122-I149 HydrophobicContact CE1-CD1 4.28Å; Y122-I149 HydrophobicContact CE1-CG2 4.07Å; Y122-I149 HydrophobicContact CE2-CG2 3.82Å; Y122-I149 HydrophobicContact CG-CG2 4.16Å; R145-I149 HydrophobicContact CG-CD1 3.86Å; R145-I149 HydrophobicContact CG-CG1 4.45Å; R145-I149 WeakPolarHBondContact O-CG1 3.25Å; R145-I149 PolarHBondContact O-N 3.24Å; S146-I149 PolarHBondContact O-N 3.01Å; I149-A151 PolarHBondContact O-N 3.07Å; I149-G152 WeakPolarHBondContact O-CA 3.48Å; I149-G152 PolarHBondContact O-N 2.92Å; I149-G152 VanDerWaalsContact O-N 3.08Å; I149-I153 HydrophobicContact CG2-CD1 3.85Å; I149-I153 HydrophobicContact CG2-CG1 4.4Å; I149-I153 WeakPolarHBondContact O-CG1 3.23Å; I149-I153 PolarHBondContact O-N 3.36Å; I149-V354 HydrophobicContact CG1-CB 4.46Å
150A98.7Very high97.6Very high0 Ų039.6 Ų39.60%019%0.187CC..Hα-helixtrans-57.9-47.4176.700000112A119 T123 S146 L147 G152 I153 F154A119-A150 HydrophobicContact CB-CB 4.39Å; A119-A150 WeakPolarHBondContact O-CB 3.37Å; T123-A150 HydrophobicContact CG2-CB 3.65Å; S146-A150 PolarHBondContact O-N 3.34Å; L147-A150 PolarHBondContact O-N 2.8Å; A150-G152 PolarHBondContact O-N 2.83Å; A150-I153 PolarHBondContact O-N 2.99Å; A150-F154 HydrophobicContact CB-CE2 4.36Å; A150-F154 WeakPolarHBondContact O-CD2 3.41Å; A150-F154 PolarHBondContact O-N 2.83Å
151A98.7Very high97.6Very high0 Ų039.3 Ų39.30%018%0.181CC..Hα-helixtrans-55.9-41.7174.600000111.8L147 I149 K155 C187 Q188 P353L147-A151 PolarHBondContact O-N 3.18Å; I149-A151 PolarHBondContact O-N 3.07Å; A151-K155 VanDerWaalsContact O-CB 3.29Å; A151-K155 WeakPolarHBondContact O-CB 3.13Å; A151-K155 PolarHBondContact O-N 3.44Å; A151-C187 HydrophobicContact CB-CB 3.65Å; A151-Q188 HydrophobicContact CB-CG 4.43Å; A151-P353 HydrophobicContact CB-CB 3.95Å; A151-P353 HydrophobicContact CB-CG 4.08Å
152G98.6Very high97.5Very high3 Ų335.6 Ų35.63%0.03117%0.166CC..Hα-helixtrans-61.3-47.9177.100000113.6K148 I149 A150 K155 H156 V354K148-G152 PolarHBondContact O-N 2.99Å; I149-G152 WeakPolarHBondContact O-CA 3.48Å; I149-G152 PolarHBondContact O-N 2.92Å; I149-G152 VanDerWaalsContact O-N 3.08Å; A150-G152 PolarHBondContact O-N 2.83Å; G152-K155 PolarHBondContact O-N 3.38Å; G152-H156 WeakPolarHBondContact O-CB 3.33Å; G152-H156 PolarHBondContact O-N 3.11Å; G152-V354 WeakPolarHBondContact CA-O 3.29Å
153I98.8Very high97.4Very high2 Ų237.2 Ų37.21%0.0118%0.18CC..Hα-helixtrans-61.2-51.8177-63.8163.2000109.7G115 V118 A119 Y122 I149 A150 K155 H156 L157 F356G115-I153 WeakPolarHBondContact O-CG2 3.42Å; V118-I153 HydrophobicContact CG1-CD1 4.09Å; A119-I153 HydrophobicContact CB-CB 3.89Å; A119-I153 HydrophobicContact CB-CD1 4.33Å; A119-I153 HydrophobicContact CB-CG2 3.8Å; Y122-I153 HydrophobicContact CD2-CD1 3.9Å; Y122-I153 HydrophobicContact CE2-CD1 4.03Å; I149-I153 HydrophobicContact CG2-CD1 3.85Å; I149-I153 HydrophobicContact CG2-CG1 4.4Å; I149-I153 WeakPolarHBondContact O-CG1 3.23Å; I149-I153 PolarHBondContact O-N 3.36Å; A150-I153 PolarHBondContact O-N 2.99Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.01Å; I153-H156 PolarHBondContact O-N 3.06Å; I153-L157 HydrophobicContact CG2-CD1 3.97Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 VanDerWaalsContact O-CG 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.49Å; I153-L157 PolarHBondContact O-N 2.54Å; I153-F356 HydrophobicContact CB-CD1 4.47Å; I153-F356 HydrophobicContact CB-CG 4.36Å; I153-F356 HydrophobicContact CD1-CD2 4.35Å; I153-F356 HydrophobicContact CD1-CE2 4.4Å; I153-F356 HydrophobicContact CG1-CB 4.14Å; I153-F356 HydrophobicContact CG1-CD1 4.08Å; I153-F356 HydrophobicContact CG1-CD2 3.53Å; I153-F356 HydrophobicContact CG1-CE1 4.41Å; I153-F356 HydrophobicContact CG1-CE2 3.89Å; I153-F356 HydrophobicContact CG1-CG 3.63Å; I153-F356 HydrophobicContact CG1-CZ 4.31Å
154F98.7Very high97.2Very high0 Ų042.4 Ų42.40%020%0.202CC..Hα-helixtrans-57-43.9178.5-70.1-54.7000112.4F116 A119 L120 T123 A150 L157 K158 I180 Y183 I184F116-F154 AromaticContact CD1-CE1 3.66Å; F116-F154 HydrophobicContact CD1-CE1 3.66Å; F116-F154 HydrophobicContact CD1-CZ 4.43Å; F116-F154 AromaticContact CD2-CD1 3.84Å; F116-F154 HydrophobicContact CD2-CD1 3.84Å; F116-F154 AromaticContact CD2-CE1 3.68Å; F116-F154 HydrophobicContact CD2-CE1 3.68Å; F116-F154 AromaticContact CE1-CE1 3.57Å; F116-F154 HydrophobicContact CE1-CE1 3.57Å; F116-F154 HydrophobicContact CE1-CZ 4.18Å; F116-F154 AromaticContact CE2-CD1 3.8Å; F116-F154 HydrophobicContact CE2-CD1 3.8Å; F116-F154 AromaticContact CE2-CE1 3.61Å; F116-F154 HydrophobicContact CE2-CE1 3.61Å; F116-F154 HydrophobicContact CG-CD1 4.25Å; F116-F154 AromaticContact CG-CE1 3.7Å; F116-F154 HydrophobicContact CG-CE1 3.7Å; F116-F154 HydrophobicContact CZ-CD1 4.16Å; F116-F154 AromaticContact CZ-CE1 3.55Å; F116-F154 HydrophobicContact CZ-CE1 3.55Å; F116-F154 HydrophobicContact CZ-CZ 4.34Å; A119-F154 HydrophobicContact CB-CD1 3.87Å; A119-F154 HydrophobicContact CB-CD2 3.96Å; A119-F154 HydrophobicContact CB-CE1 3.51Å; A119-F154 HydrophobicContact CB-CE2 3.62Å; A119-F154 HydrophobicContact CB-CG 4.07Å; A119-F154 HydrophobicContact CB-CZ 3.38Å; L120-F154 HydrophobicContact CD2-CZ 4.11Å; L120-F154 HydrophobicContact CG-CZ 4.3Å; T123-F154 HydrophobicContact CG2-CE2 4.38Å; A150-F154 HydrophobicContact CB-CE2 4.36Å; A150-F154 WeakPolarHBondContact O-CD2 3.41Å; A150-F154 PolarHBondContact O-N 2.83Å; F154-L157 PolarHBondContact O-N 2.92Å; F154-K158 WeakPolarHBondContact O-CB 3.43Å; F154-K158 PolarHBondContact O-N 2.89Å; F154-I180 HydrophobicContact CB-CD1 4.44Å; F154-I180 HydrophobicContact CB-CG1 3.98Å; F154-I180 HydrophobicContact CD1-CD1 4.4Å; F154-I180 HydrophobicContact CD1-CG1 4.09Å; F154-I180 HydrophobicContact CG-CG1 4.4Å; F154-I180 WeakPolarHBondContact O-CD1 3.31Å; F154-Y183 HydrophobicContact CE1-CG 4.43Å; F154-Y183 HydrophobicContact CE2-CD1 4.17Å; F154-Y183 HydrophobicContact CE2-CG 4.23Å; F154-Y183 HydrophobicContact CZ-CD1 4.04Å; F154-Y183 HydrophobicContact CZ-CG 4.07Å; F154-I184 HydrophobicContact CB-CD1 4.21Å; F154-I184 HydrophobicContact CB-CG1 3.44Å; F154-I184 VanDerWaalsContact CB-CG1 3.44Å
155K98.4Very high97Very high76 Ų7641.2 Ų41.233%0.3320%0.197SC..Hα-helixtrans-61.8-46.9177.3-175.2177.2178.5-177.30111.7A151 G152 I153 L157 K158 E159 I184 P353A151-K155 VanDerWaalsContact O-CB 3.29Å; A151-K155 WeakPolarHBondContact O-CB 3.13Å; A151-K155 PolarHBondContact O-N 3.44Å; G152-K155 PolarHBondContact O-N 3.38Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.01Å; K155-L157 PolarHBondContact O-N 2.73Å; K155-K158 WeakPolarHBondContact O-CB 3.37Å; K155-K158 PolarHBondContact O-N 3.36Å; K155-E159 WeakPolarHBondContact CE-OE1 3.41Å; K155-E159 WeakPolarHBondContact CE-OE2 3.32Å; K155-E159 HydrophobicContact CG-CG 4.41Å; K155-E159 WeakPolarHBondContact CG-OE1 3.29Å; K155-E159 WeakPolarHBondContact O-CB 3.21Å; K155-E159 WeakPolarHBondContact O-CG 3.15Å; K155-E159 PolarHBondContact O-N 3.48Å; K155-I184 HydrophobicContact CB-CD1 4.05Å; K155-I184 HydrophobicContact CB-CG1 4.39Å; K155-P353 HydrophobicContact CD-CB 4.38Å; K155-P353 HydrophobicContact CD-CG 4.21Å
156H98.1Very high96.5Very high34 Ų3438.8 Ų38.816%0.15720%0.195CC..Hα-helixtrans-62.4-42.2178-175.483.2000112.3G152 I153 S160 H161 F356 F358G152-H156 WeakPolarHBondContact O-CB 3.33Å; G152-H156 PolarHBondContact O-N 3.11Å; I153-H156 PolarHBondContact O-N 3.06Å; H156-S160 VanDerWaalsContact O-CB 3.27Å; H156-S160 WeakPolarHBondContact O-CB 2.95Å; H156-S160 PolarHBondContact O-N 2.79Å; H156-H161 AromaticContact CD2-CD2 3.54Å; H156-H161 AromaticContact CD2-NE2 3.43Å; H156-H161 PolarHBondContact CD2-NE2 3.16Å; H156-H161 AromaticContact CE1-NE2 3.95Å; H156-H161 AromaticContact NE2-CD2 3.53Å; H156-H161 AromaticContact NE2-NE2 2.92Å; H156-H161 PolarHBondContact NE2-NE2 3.2Å; H156-F356 HydrophobicContact CB-CB 4.28Å; H156-F356 HydrophobicContact CB-CD1 4Å; H156-F356 AromaticContact CD2-CD1 3.84Å; H156-F356 PolarHBondContact CE1-O 3.18Å; H156-F356 AromaticContact CG-CD1 3.98Å; H156-F356 VanDerWaalsContact CG-O 3.25Å; H156-F356 PolarHBondContact ND1-O 2.89Å; H156-F358 AromaticContact CD2-CD2 3.98Å; H156-F358 AromaticContact CD2-CE2 3.86Å; H156-F358 AromaticContact NE2-CD2 3.69Å; H156-F358 AromaticContact NE2-CE2 4Å
157L97.7Very high96Very high1 Ų142 Ų421%0.00522%0.215CC..Hα-helixtrans-60.8-46.7175.6-67.2177.8000111.5V112 F116 I153 F154 K155 H161 I162 I180 F358V112-L157 HydrophobicContact CB-CD2 4.29Å; V112-L157 HydrophobicContact CG1-CD2 4.19Å; F116-L157 HydrophobicContact CB-CD1 4.19Å; F116-L157 VanDerWaalsContact N-CD1 3.35Å; I153-L157 HydrophobicContact CG2-CD1 3.97Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 VanDerWaalsContact O-CG 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.49Å; I153-L157 PolarHBondContact O-N 2.54Å; F154-L157 PolarHBondContact O-N 2.92Å; K155-L157 PolarHBondContact O-N 2.73Å; L157-H161 PolarHBondContact O-N 3.38Å; L157-I162 WeakPolarHBondContact O-CG1 2.85Å; L157-I162 PolarHBondContact O-N 2.67Å; L157-I180 HydrophobicContact CB-CD1 4.09Å; L157-F358 HydrophobicContact CD2-CE2 4.02Å; L157-F358 HydrophobicContact CD2-CZ 3.67Å
158K96.9Very high95.3Very high65 Ų6547.1 Ų47.128%0.28325%0.248SC..Hα-helixtrans-58.8-49.1177.8-175.8-162174.3-174.20112.4F154 K155 P163 I180 D181 I184F154-K158 WeakPolarHBondContact O-CB 3.43Å; F154-K158 PolarHBondContact O-N 2.89Å; K155-K158 WeakPolarHBondContact O-CB 3.37Å; K155-K158 PolarHBondContact O-N 3.36Å; K158-P163 VanDerWaalsContact O-CD 3.25Å; K158-P163 WeakPolarHBondContact O-CD 3.03Å; K158-I180 HydrophobicContact CB-CD1 4.06Å; K158-I180 HydrophobicContact CB-CG1 4.44Å; K158-I180 HydrophobicContact CB-CG2 4.11Å; K158-I180 HydrophobicContact CD-CG2 4.29Å; K158-I180 HydrophobicContact CG-CG2 3.93Å; K158-D181 WeakPolarHBondContact CD-OD1 3.28Å; K158-D181 WeakPolarHBondContact CE-OD1 3.15Å; K158-D181 IonicContact NZ-OD1 2.73Å; K158-D181 PolarHBondContact NZ-OD1 3.27Å; K158-D181 IonicContact NZ-OD2 3.66Å; K158-D181 PolarHBondContact NZ-OD2 3.46Å; K158-I184 HydrophobicContact CD-CD1 4.14Å
159E96.5Very high94.7Very high115 Ų11546.9 Ų46.954%0.53725%0.251SS..Hα-helixtrans-81.9-37.3-170.1-68.5174.2173.400112K155K155-E159 WeakPolarHBondContact CE-OE1 3.41Å; K155-E159 WeakPolarHBondContact CE-OE2 3.32Å; K155-E159 HydrophobicContact CG-CG 4.41Å; K155-E159 WeakPolarHBondContact CG-OE1 3.29Å; K155-E159 WeakPolarHBondContact O-CB 3.21Å; K155-E159 WeakPolarHBondContact O-CG 3.15Å; K155-E159 PolarHBondContact O-N 3.48Å
160S94.3Very high94.2Very high46 Ų4650.2 Ų50.232%0.32227%0.266SS..Hα-helixtrans-109.1-20.2-165.8-56.70000115.2H156 K164H156-S160 VanDerWaalsContact O-CB 3.27Å; H156-S160 WeakPolarHBondContact O-CB 2.95Å; H156-S160 PolarHBondContact O-N 2.79Å; S160-K164 WeakPolarHBondContact O-CD 3.33Å; S160-K164 WeakPolarHBondContact O-CE 3.28Å; S160-K164 PolarHBondContact O-NZ 2.94Å
161H93.9Very high93.8Very high20 Ų2056.2 Ų56.29%0.09329%0.292CS..THydrogen-bonded Turntrans-128.2-42-169.4-62-78000114.7V112 H156 L157 P163 K164 F358V112-H161 HydrophobicContact CG1-CB 3.49Å; V112-H161 VanDerWaalsContact CG1-CB 3.49Å; H156-H161 AromaticContact CD2-CD2 3.54Å; H156-H161 AromaticContact CD2-NE2 3.43Å; H156-H161 PolarHBondContact CD2-NE2 3.16Å; H156-H161 AromaticContact CE1-NE2 3.95Å; H156-H161 AromaticContact NE2-CD2 3.53Å; H156-H161 AromaticContact NE2-NE2 2.92Å; H156-H161 PolarHBondContact NE2-NE2 3.2Å; L157-H161 PolarHBondContact O-N 3.38Å; H161-P163 VanDerWaalsContact C-CD 3.47Å; H161-P163 VanDerWaalsContact C-N 3.33Å; H161-K164 WeakPolarHBondContact O-CB 3.45Å; H161-K164 PolarHBondContact O-N 2.98Å; H161-F358 AromaticContact CD2-CE2 3.57Å; H161-F358 AromaticContact CE1-CD2 3.75Å; H161-F358 AromaticContact CE1-CE2 3.78Å; H161-F358 AromaticContact NE2-CD2 3.38Å; H161-F358 WeakPolarHBondContact NE2-CD2 3.24Å; H161-F358 AromaticContact NE2-CE2 3.29Å; H161-F358 VanDerWaalsContact NE2-CE2 3.29Å; H161-F358 WeakPolarHBondContact NE2-CE2 3.49Å
162I94.9Very high93.2Very high25 Ų2556.2 Ų56.213%0.12829%0.292CS..G310 helixtrans-57.1-40.6175.9-72.3172.6000112.2V112 L157 K164 L165 L175 I180V112-I162 HydrophobicContact CB-CG1 4.46Å; V112-I162 HydrophobicContact CG1-CG1 4.25Å; L157-I162 WeakPolarHBondContact O-CG1 2.85Å; L157-I162 PolarHBondContact O-N 2.67Å; I162-K164 PolarHBondContact O-N 3.15Å; I162-K164 VanDerWaalsContact O-N 3.08Å; I162-L165 HydrophobicContact CG2-CD1 4.44Å; I162-L165 WeakPolarHBondContact O-CB 3.16Å; I162-L165 WeakPolarHBondContact O-CG 3.24Å; I162-L165 PolarHBondContact O-N 3.17Å; I162-L165 VanDerWaalsContact O-N 3.1Å; I162-L175 HydrophobicContact CD1-CB 4.24Å; I162-L175 HydrophobicContact CD1-CD2 4.26Å; I162-I180 HydrophobicContact CD1-CD1 3.52Å
163P94.5Very high93Very high96 Ų9657.1 Ų57.162%0.62329%0.294SS*.G310 helixtrans-63.2-15.1176.3-24.836000114.5K158 H161K158-P163 VanDerWaalsContact O-CD 3.25Å; K158-P163 WeakPolarHBondContact O-CD 3.03Å; H161-P163 VanDerWaalsContact C-CD 3.47Å; H161-P163 VanDerWaalsContact C-N 3.33Å
164K92.9Very high92.8Very high111 Ų11157 Ų5748%0.48329%0.294SS..G310 helixtrans-86.1-9.8178.3-59.9175.9178.1159.50112.8R85 V108 S160 H161 I162 I166R85-K164 PolarHBondContact NH2-O 3.26Å; V108-K164 HydrophobicContact CG1-CB 4.35Å; S160-K164 WeakPolarHBondContact O-CD 3.33Å; S160-K164 WeakPolarHBondContact O-CE 3.28Å; S160-K164 PolarHBondContact O-NZ 2.94Å; H161-K164 WeakPolarHBondContact O-CB 3.45Å; H161-K164 PolarHBondContact O-N 2.98Å; I162-K164 PolarHBondContact O-N 3.15Å; I162-K164 VanDerWaalsContact O-N 3.08Å; K164-I166 PolarHBondContact O-N 3.47Å
165L92.9Very high92.5Very high22 Ų2257.3 Ų57.312%0.11530%0.295CS..  trans-67.1126.2177.3-65.3172.7000110V108 F109 V112 I162 V169 L175V108-L165 HydrophobicContact CB-CD2 4.19Å; V108-L165 HydrophobicContact CG1-CD2 3.85Å; V108-L165 HydrophobicContact CG1-CG 4.46Å; F109-L165 HydrophobicContact CB-CD2 3.98Å; V112-L165 HydrophobicContact CG2-CD1 4.39Å; I162-L165 HydrophobicContact CG2-CD1 4.44Å; I162-L165 WeakPolarHBondContact O-CB 3.16Å; I162-L165 WeakPolarHBondContact O-CG 3.24Å; I162-L165 PolarHBondContact O-N 3.17Å; I162-L165 VanDerWaalsContact O-N 3.1Å; L165-V169 HydrophobicContact CD1-CG2 3.93Å; L165-L175 HydrophobicContact CD1-CD1 4.1Å
166I87Confident92.3Very high112 Ų11254.4 Ų54.457%0.57428%0.283SS*.SBendtrans-76.6-40.3176.7-61-172.9000110.6Y86 K164Y86-I166 HydrophobicContact CE1-CD1 4.15Å; Y86-I166 WeakPolarHBondContact OH-CD1 3.45Å; K164-I166 PolarHBondContact O-N 3.47Å
167T88.1Confident92.1Very high71 Ų7155.6 Ų55.644%0.43630%0.299SS..SBendtrans-79.6123.8178.7-55.50000108.6
168P84.3Confident92Very high107 Ų10758.9 Ų58.970%0.69531%0.311SS*.PPolyproline II helixtrans-61.5141.3-179.125.5-33.7000110.6E170P168-E170 PolarHBondContact O-N 2.87Å
169V85.8Confident92Very high46 Ų4655.8 Ų55.828%0.27930%0.298SS..PPolyproline II helixtrans-73128.4176.1-175.70000109.7L165 R173 L175 E176L165-V169 HydrophobicContact CD1-CG2 3.93Å; V169-R173 HydrophobicContact CG1-CB 4.03Å; V169-L175 HydrophobicContact CB-CB 4.46Å; V169-L175 HydrophobicContact CG1-CB 3.77Å; V169-L175 HydrophobicContact CG2-CB 3.81Å; V169-E176 HydrophobicContact CG1-CB 4.13Å
170E88.9Confident92Very high102 Ų10250.4 Ų50.448%0.47727%0.272SS..PPolyproline II helixtrans-69.1150.8177.4-54.3166.9-177.800111.7P168 R173P168-E170 PolarHBondContact O-N 2.87Å; E170-R173 HydrophobicContact CB-CG 3.74Å; E170-R173 WeakPolarHBondContact O-CB 3.35Å; E170-R173 WeakPolarHBondContact O-CG 2.94Å; E170-R173 PolarHBondContact O-N 3.14Å; E170-R173 IonicContact OE2-CZ 3.44Å; E170-R173 IonicContact OE2-NE 2.71Å; E170-R173 PolarHBondContact OE2-NE 3.31Å; E170-R173 IonicContact OE2-NH2 2.78Å; E170-R173 PolarHBondContact OE2-NH2 3.33Å
171K89.2Confident92.2Very high127 Ų12750.2 Ų50.255%0.55227%0.268SS*.THydrogen-bonded Turntrans-63137.4172.4-174.8177.4-178.5-172.90110.3S229 L230K171-S229 PolarHBondContact NZ-O 3.47Å; K171-L230 HydrophobicContact CG-CD2 4.18Å
172G87.6Confident92.4Very high0 Ų049.2 Ų49.20%026%0.263CS..THydrogen-bonded Turntrans89.8-3-178.300000115Q97 E176Q97-G172 WeakPolarHBondContact CG-O 3.44Å; Q97-G172 PolarHBondContact NE2-O 2.94Å; G172-E176 WeakPolarHBondContact CA-OE1 3.45Å; G172-E176 PolarHBondContact N-OE1 2.61Å
173R93.4Very high92.5Very high21 Ų2148.4 Ų48.48%0.07926%0.259CS..SBendtrans-96.3154-175.3-58.3-73.8-179.5-179.61.3112D94 V100 V169 E170 L175 E176D94-R173 VanDerWaalsContact CG-CD 3.46Å; D94-R173 WeakPolarHBondContact OD2-CD 3.39Å; D94-R173 IonicContact OD2-CZ 3.71Å; D94-R173 IonicContact OD2-NE 2.73Å; D94-R173 IonicContact OD2-NH1 3.14Å; D94-R173 PolarHBondContact OD2-NH1 3.49Å; V100-R173 PolarHBondContact O-NH1 2.93Å; V169-R173 HydrophobicContact CG1-CB 4.03Å; E170-R173 HydrophobicContact CB-CG 3.74Å; E170-R173 WeakPolarHBondContact O-CB 3.35Å; E170-R173 WeakPolarHBondContact O-CG 2.94Å; E170-R173 PolarHBondContact O-N 3.14Å; E170-R173 IonicContact OE2-CZ 3.44Å; E170-R173 IonicContact OE2-NE 2.71Å; E170-R173 PolarHBondContact OE2-NE 3.31Å; E170-R173 IonicContact OE2-NH2 2.78Å; E170-R173 PolarHBondContact OE2-NH2 3.33Å; R173-L175 PolarHBondContact O-N 3.47Å; R173-L175 VanDerWaalsContact O-N 3.11Å; R173-E176 VanDerWaalsContact O-CG 3.3Å; R173-E176 WeakPolarHBondContact O-CG 3.21Å; R173-E176 PolarHBondContact O-N 3.5Å
174D94.5Very high92.7Very high0 Ų044.5 Ų44.50%023%0.232CC..THydrogen-bonded Turntrans-60.7-30.9-170.2-68.8-27.4000114.1K11 D94 T95 F116 E176K11-D174 VanDerWaalsContact CD-OD2 3.24Å; K11-D174 WeakPolarHBondContact CD-OD2 3.43Å; K11-D174 VanDerWaalsContact CG-OD2 3.3Å; K11-D174 WeakPolarHBondContact CG-OD2 3.27Å; K11-D174 IonicContact NZ-OD2 3.66Å; K11-D174 PolarHBondContact NZ-OD2 3.05Å; D94-D174 WeakPolarHBondContact CA-OD2 3.34Å; D94-D174 PolarHBondContact OD1-N 3.46Å; T95-D174 VanDerWaalsContact CB-OD1 3.3Å; T95-D174 WeakPolarHBondContact CB-OD1 3.31Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.45Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.34Å; T95-D174 PolarHBondContact N-OD1 3.39Å; T95-D174 PolarHBondContact N-OD2 3.16Å; T95-D174 PolarHBondContact OG1-OD1 3.01Å; F116-D174 HydrophobicContact CD1-CB 4.3Å; F116-D174 HydrophobicContact CD2-CB 4.23Å; F116-D174 HydrophobicContact CE1-CB 3.91Å; F116-D174 HydrophobicContact CE2-CB 3.83Å; F116-D174 VanDerWaalsContact CE2-O 3.31Å; F116-D174 WeakPolarHBondContact CE2-O 3.19Å; F116-D174 HydrophobicContact CG-CB 4.46Å; F116-D174 HydrophobicContact CZ-CB 3.65Å; D174-E176 PolarHBondContact O-N 2.97Å
175L93.3Very high93Very high6 Ų639.7 Ų39.73%0.03121%0.212CC..THydrogen-bonded Turntrans-80.8-1.2-176.3-52.3178.7000112.8F109 V112 F116 I162 L165 V169 R173F109-L175 HydrophobicContact CD2-CD1 3.71Å; F109-L175 HydrophobicContact CE2-CD1 3.69Å; V112-L175 HydrophobicContact CB-CD2 4.12Å; V112-L175 HydrophobicContact CG2-CD1 3.57Å; V112-L175 HydrophobicContact CG2-CD2 3.74Å; V112-L175 HydrophobicContact CG2-CG 4.3Å; F116-L175 HydrophobicContact CD2-CD2 4.29Å; I162-L175 HydrophobicContact CD1-CB 4.24Å; I162-L175 HydrophobicContact CD1-CD2 4.26Å; L165-L175 HydrophobicContact CD1-CD1 4.1Å; V169-L175 HydrophobicContact CB-CB 4.46Å; V169-L175 HydrophobicContact CG1-CB 3.77Å; V169-L175 HydrophobicContact CG2-CB 3.81Å; R173-L175 PolarHBondContact O-N 3.47Å; R173-L175 VanDerWaalsContact O-N 3.11Å
176E92.9Very high93.3Very high15 Ų1539 Ų397%0.0721%0.208CC..SBendtrans-76.1150.2176.683.9167.299.900110.6V169 G172 R173 D174 R178 L179 I180V169-E176 HydrophobicContact CG1-CB 4.13Å; G172-E176 WeakPolarHBondContact CA-OE1 3.45Å; G172-E176 PolarHBondContact N-OE1 2.61Å; R173-E176 VanDerWaalsContact O-CG 3.3Å; R173-E176 WeakPolarHBondContact O-CG 3.21Å; R173-E176 PolarHBondContact O-N 3.5Å; D174-E176 PolarHBondContact O-N 2.97Å; E176-R178 VanDerWaalsContact C-N 3.28Å; E176-R178 HydrophobicContact CG-CB 4.45Å; E176-R178 PolarHBondContact O-N 3.02Å; E176-R178 VanDerWaalsContact O-N 3.17Å; E176-R178 IonicContact OE2-CZ 4Å; E176-R178 IonicContact OE2-NE 3.54Å; E176-R178 PolarHBondContact OE2-NE 2.95Å; E176-R178 IonicContact OE2-NH2 3.77Å; E176-R178 PolarHBondContact OE2-NH2 3.41Å; E176-L179 HydrophobicContact CG-CB 4.05Å; E176-L179 HydrophobicContact CG-CD1 3.8Å; E176-L179 HydrophobicContact CG-CG 4.45Å; E176-L179 PolarHBondContact O-N 2.9Å; E176-I180 PolarHBondContact O-N 3.49Å; E176-I180 VanDerWaalsContact O-N 3.16Å
177A94.2Very high93.8Very high60 Ų6033.7 Ų33.750%0.49618%0.182SC..Hα-helixtrans-53.2-42.7-17600000113.3D181A177-D181 WeakPolarHBondContact O-CB 3.47Å; A177-D181 VanDerWaalsContact O-CG 3.25Å; A177-D181 PolarHBondContact O-N 2.82Å
178R95.9Very high94.3Very high70 Ų7031.2 Ų31.226%0.26417%0.165SC..Hα-helixtrans-66.4-41.3-177.2-70174.3-68.5-151.9-10.6113.1E176 S182 T226 S229 L230E176-R178 VanDerWaalsContact C-N 3.28Å; E176-R178 HydrophobicContact CG-CB 4.45Å; E176-R178 PolarHBondContact O-N 3.02Å; E176-R178 VanDerWaalsContact O-N 3.17Å; E176-R178 IonicContact OE2-CZ 4Å; E176-R178 IonicContact OE2-NE 3.54Å; E176-R178 PolarHBondContact OE2-NE 2.95Å; E176-R178 IonicContact OE2-NH2 3.77Å; E176-R178 PolarHBondContact OE2-NH2 3.41Å; R178-S182 WeakPolarHBondContact O-CB 3.45Å; R178-S182 PolarHBondContact O-N 2.68Å; R178-S182 VanDerWaalsContact O-N 3.15Å; R178-S182 PolarHBondContact O-OG 2.97Å; R178-T226 HydrophobicContact CB-CG2 4.06Å; R178-T226 WeakPolarHBondContact CD-O 3.31Å; R178-T226 HydrophobicContact CG-CG2 4.22Å; R178-T226 WeakPolarHBondContact CG-O 3.4Å; R178-T226 WeakPolarHBondContact O-CG2 3.47Å; R178-S229 VanDerWaalsContact CD-OG 3.28Å; R178-S229 WeakPolarHBondContact CD-OG 3.41Å; R178-S229 PolarHBondContact NH1-OG 3.45Å; R178-L230 HydrophobicContact CB-CD1 4.26Å
179L96Very high95Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-68.9-52.8-180-96.971.1000109.8L96 E176 D181 S182 Y183 L227 L230 W238L96-L179 HydrophobicContact CD1-CD1 4.26Å; L96-L179 HydrophobicContact CD1-CD2 3.77Å; L96-L179 HydrophobicContact CD1-CG 4.1Å; L96-L179 HydrophobicContact CG-CD2 4.04Å; E176-L179 HydrophobicContact CG-CB 4.05Å; E176-L179 HydrophobicContact CG-CD1 3.8Å; E176-L179 HydrophobicContact CG-CG 4.45Å; E176-L179 PolarHBondContact O-N 2.9Å; L179-D181 VanDerWaalsContact C-N 3.33Å; L179-D181 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-N 3.25Å; L179-S182 VanDerWaalsContact O-N 3.14Å; L179-Y183 VanDerWaalsContact O-CD2 3.23Å; L179-Y183 WeakPolarHBondContact O-CD2 3.48Å; L179-Y183 PolarHBondContact O-N 3.12Å; L179-L227 HydrophobicContact CD1-CD2 4.37Å; L179-L230 HydrophobicContact CD1-CD1 3.37Å; L179-W238 HydrophobicContact CG-CZ3 4.33Å
180I97.4Very high95.6Very high1 Ų124 Ų241%0.00512%0.119CC..Hα-helixtrans-64.4-37.4-176.9-160.9162.9000112.1F116 F154 L157 K158 I162 E176 S182 Y183 I184F116-I180 HydrophobicContact CD2-CD1 4.19Å; F116-I180 HydrophobicContact CE2-CB 4.28Å; F116-I180 HydrophobicContact CE2-CD1 4.11Å; F116-I180 HydrophobicContact CE2-CG1 4.01Å; F154-I180 HydrophobicContact CB-CD1 4.44Å; F154-I180 HydrophobicContact CB-CG1 3.98Å; F154-I180 HydrophobicContact CD1-CD1 4.4Å; F154-I180 HydrophobicContact CD1-CG1 4.09Å; F154-I180 HydrophobicContact CG-CG1 4.4Å; F154-I180 WeakPolarHBondContact O-CD1 3.31Å; L157-I180 HydrophobicContact CB-CD1 4.09Å; K158-I180 HydrophobicContact CB-CD1 4.06Å; K158-I180 HydrophobicContact CB-CG1 4.44Å; K158-I180 HydrophobicContact CB-CG2 4.11Å; K158-I180 HydrophobicContact CD-CG2 4.29Å; K158-I180 HydrophobicContact CG-CG2 3.93Å; I162-I180 HydrophobicContact CD1-CD1 3.52Å; E176-I180 PolarHBondContact O-N 3.49Å; E176-I180 VanDerWaalsContact O-N 3.16Å; I180-S182 VanDerWaalsContact C-N 3.34Å; I180-S182 PolarHBondContact O-N 3.01Å; I180-Y183 PolarHBondContact O-N 2.79Å; I180-I184 VanDerWaalsContact O-CG1 3.31Å; I180-I184 WeakPolarHBondContact O-CG1 3.38Å; I180-I184 PolarHBondContact O-N 2.78Å
181D97.8Very high96Very high42 Ų4219.1 Ų19.123%0.22510%0.096CC..Hα-helixtrans-63.2-40.6174-81.2-28.1000112.6K158 A177 L179 Y183 I184 V185 T226K158-D181 WeakPolarHBondContact CD-OD1 3.28Å; K158-D181 WeakPolarHBondContact CE-OD1 3.15Å; K158-D181 IonicContact NZ-OD1 2.73Å; K158-D181 PolarHBondContact NZ-OD1 3.27Å; K158-D181 IonicContact NZ-OD2 3.66Å; K158-D181 PolarHBondContact NZ-OD2 3.46Å; A177-D181 WeakPolarHBondContact O-CB 3.47Å; A177-D181 VanDerWaalsContact O-CG 3.25Å; A177-D181 PolarHBondContact O-N 2.82Å; L179-D181 VanDerWaalsContact C-N 3.33Å; L179-D181 PolarHBondContact O-N 3.46Å; D181-Y183 VanDerWaalsContact C-N 3.31Å; D181-Y183 PolarHBondContact O-N 3.39Å; D181-I184 PolarHBondContact O-N 3.28Å; D181-V185 WeakPolarHBondContact O-CG2 3.3Å; D181-V185 PolarHBondContact O-N 3.24Å; D181-T226 HydrophobicContact CB-CG2 4.12Å
182S98.3Very high96.5Very high0 Ų013 Ų130%07%0.07CC..Hα-helixtrans-66.4-36.1177.3-56.40000111.5R178 L179 I180 Q186 A223 T226 L227R178-S182 WeakPolarHBondContact O-CB 3.45Å; R178-S182 PolarHBondContact O-N 2.68Å; R178-S182 VanDerWaalsContact O-N 3.15Å; R178-S182 PolarHBondContact O-OG 2.97Å; L179-S182 PolarHBondContact O-N 3.25Å; L179-S182 VanDerWaalsContact O-N 3.14Å; I180-S182 VanDerWaalsContact C-N 3.34Å; I180-S182 PolarHBondContact O-N 3.01Å; S182-Q186 WeakPolarHBondContact O-CB 3.42Å; S182-Q186 PolarHBondContact O-N 2.99Å; S182-A223 PolarHBondContact OG-O 3.31Å; S182-T226 WeakPolarHBondContact OG-CB 3.3Å; S182-T226 WeakPolarHBondContact OG-CG2 3.12Å; S182-L227 VanDerWaalsContact OG-CD2 3.23Å; S182-L227 WeakPolarHBondContact OG-CD2 3.48Å; S182-L227 VanDerWaalsContact OG-CG 3.26Å; S182-L227 WeakPolarHBondContact OG-CG 3.17Å
183Y98.6Very high96.9Very high7 Ų713 Ų133%0.0277%0.07CC..Hα-helixtrans-65.4-43.8172.7-85.3-69.8000113.1N8 T95 F116 L120 F154 L179 I180 D181 Q186 C187 W238N8-Y183 WeakPolarHBondContact CB-OH 3.21Å; N8-Y183 PolarHBondContact ND2-OH 2.65Å; T95-Y183 VanDerWaalsContact CB-OH 3.28Å; T95-Y183 WeakPolarHBondContact CB-OH 3.16Å; T95-Y183 VanDerWaalsContact CG2-OH 3.31Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.23Å; T95-Y183 PolarHBondContact OG1-OH 3.46Å; T95-Y183 VanDerWaalsContact OG1-OH 3.07Å; F116-Y183 HydrophobicContact CE1-CD2 4.22Å; F116-Y183 HydrophobicContact CE1-CE2 4.02Å; F116-Y183 HydrophobicContact CE2-CD2 4.42Å; F116-Y183 AromaticContact CZ-CD2 3.5Å; F116-Y183 HydrophobicContact CZ-CD2 3.5Å; F116-Y183 VanDerWaalsContact CZ-CD2 3.5Å; F116-Y183 AromaticContact CZ-CE2 3.62Å; F116-Y183 HydrophobicContact CZ-CE2 3.62Å; F116-Y183 HydrophobicContact CZ-CG 4.24Å; L120-Y183 HydrophobicContact CD2-CD1 4.29Å; L120-Y183 HydrophobicContact CD2-CE1 3.63Å; F154-Y183 HydrophobicContact CE1-CG 4.43Å; F154-Y183 HydrophobicContact CE2-CD1 4.17Å; F154-Y183 HydrophobicContact CE2-CG 4.23Å; F154-Y183 HydrophobicContact CZ-CD1 4.04Å; F154-Y183 HydrophobicContact CZ-CG 4.07Å; L179-Y183 VanDerWaalsContact O-CD2 3.23Å; L179-Y183 WeakPolarHBondContact O-CD2 3.48Å; L179-Y183 PolarHBondContact O-N 3.12Å; I180-Y183 PolarHBondContact O-N 2.79Å; D181-Y183 VanDerWaalsContact C-N 3.31Å; D181-Y183 PolarHBondContact O-N 3.39Å; Y183-Q186 PolarHBondContact O-N 2.87Å; Y183-C187 WeakPolarHBondContact O-CB 3.39Å; Y183-C187 PolarHBondContact O-N 2.8Å; Y183-C187 PolarHBondContact O-SG 2.56Å; Y183-W238 HydrophobicContact CD1-CH2 4.46Å; Y183-W238 HydrophobicContact CD1-CZ2 4.41Å; Y183-W238 AromaticContact CD2-CH2 3.76Å; Y183-W238 HydrophobicContact CD2-CH2 3.76Å; Y183-W238 HydrophobicContact CD2-CZ2 4.47Å; Y183-W238 HydrophobicContact CE1-CH2 4.39Å; Y183-W238 HydrophobicContact CE1-CZ2 4.39Å; Y183-W238 AromaticContact CE2-CH2 3.67Å; Y183-W238 HydrophobicContact CE2-CH2 3.67Å; Y183-W238 HydrophobicContact CE2-CZ2 4.44Å; Y183-W238 HydrophobicContact CE2-CZ3 4.12Å; Y183-W238 HydrophobicContact CG-CH2 4.16Å; Y183-W238 HydrophobicContact CG-CZ2 4.45Å
184I98.6Very high97.1Very high14 Ų1412.8 Ų12.87%0.0727%0.071CC..Hα-helixtrans-57.7-52.9176.3-66.4162.3000109.6F154 K155 K158 I180 D181 Q186 C187 Q188F154-I184 HydrophobicContact CB-CD1 4.21Å; F154-I184 HydrophobicContact CB-CG1 3.44Å; F154-I184 VanDerWaalsContact CB-CG1 3.44Å; K155-I184 HydrophobicContact CB-CD1 4.05Å; K155-I184 HydrophobicContact CB-CG1 4.39Å; K158-I184 HydrophobicContact CD-CD1 4.14Å; I180-I184 VanDerWaalsContact O-CG1 3.31Å; I180-I184 WeakPolarHBondContact O-CG1 3.38Å; I180-I184 PolarHBondContact O-N 2.78Å; D181-I184 PolarHBondContact O-N 3.28Å; I184-Q186 PolarHBondContact O-N 3.41Å; I184-C187 PolarHBondContact O-N 2.74Å; I184-Q188 PolarHBondContact O-N 3.07Å; I184-Q188 VanDerWaalsContact O-N 3.14Å
185V98.4Very high97.1Very high10 Ų1014.1 Ų14.16%0.0618%0.079CC..Hα-helixtrans-67-39.3-176.5177.50000111.4D181 C187 Q188 A189 F219 K222 A223D181-V185 WeakPolarHBondContact O-CG2 3.3Å; D181-V185 PolarHBondContact O-N 3.24Å; V185-C187 PolarHBondContact O-N 3.13Å; V185-Q188 PolarHBondContact O-N 2.68Å; V185-A189 WeakPolarHBondContact O-CB 3.27Å; V185-A189 PolarHBondContact O-N 2.85Å; V185-F219 HydrophobicContact CG1-CB 3.85Å; V185-F219 HydrophobicContact CG1-CD1 4.03Å; V185-F219 HydrophobicContact CG1-CG 4.39Å; V185-F219 WeakPolarHBondContact CG1-O 3.41Å; V185-K222 HydrophobicContact CG1-CB 4.43Å; V185-K222 HydrophobicContact CG2-CD 4.39Å; V185-A223 HydrophobicContact CB-CB 4.28Å; V185-A223 HydrophobicContact CG1-CB 4.06Å
186Q98.6Very high97.3Very high7 Ų714 Ų143%0.0338%0.078CC..Hα-helixtrans-61.4-43.8174.3175.5175.9-30.400111.8H6 S182 Y183 I184 Q188 A189 E190 W238H6-Q186 PolarHBondContact O-NE2 3.45Å; S182-Q186 WeakPolarHBondContact O-CB 3.42Å; S182-Q186 PolarHBondContact O-N 2.99Å; Y183-Q186 PolarHBondContact O-N 2.87Å; I184-Q186 PolarHBondContact O-N 3.41Å; Q186-Q188 VanDerWaalsContact C-N 3.28Å; Q186-Q188 PolarHBondContact O-N 3Å; Q186-A189 PolarHBondContact O-N 2.83Å; Q186-E190 HydrophobicContact CG-CG 4.11Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.24Å; Q186-E190 PolarHBondContact NE2-OE1 2.9Å; Q186-E190 WeakPolarHBondContact O-CB 3.31Å; Q186-E190 WeakPolarHBondContact O-CG 3.31Å; Q186-E190 PolarHBondContact O-N 2.94Å; Q186-W238 VanDerWaalsContact OE1-CE2 3.28Å
187C98.8Very high97.3Very high2 Ų214 Ų141%0.0148%0.08CC..Hα-helixtrans-61.1-39.5178.3-69.80000111.7T123 L147 A151 Y183 I184 V185 A191T123-C187 VanDerWaalsContact CG2-SG 3.58Å; L147-C187 WeakPolarHBondContact O-CB 3.23Å; A151-C187 HydrophobicContact CB-CB 3.65Å; Y183-C187 WeakPolarHBondContact O-CB 3.39Å; Y183-C187 PolarHBondContact O-N 2.8Å; Y183-C187 PolarHBondContact O-SG 2.56Å; I184-C187 PolarHBondContact O-N 2.74Å; V185-C187 PolarHBondContact O-N 3.13Å; C187-A191 WeakPolarHBondContact O-CB 3.33Å; C187-A191 PolarHBondContact O-N 2.74Å; C187-A191 VanDerWaalsContact O-N 3.08Å
188Q98.4Very high97.3Very high19 Ų1914.9 Ų14.99%0.0897%0.071CC..Hα-helixtrans-64-47.1173.8-66.8178.9-8700111.5A151 I184 V185 Q186 E190 A191 Q192 V351 P353A151-Q188 HydrophobicContact CB-CG 4.43Å; I184-Q188 PolarHBondContact O-N 3.07Å; I184-Q188 VanDerWaalsContact O-N 3.14Å; V185-Q188 PolarHBondContact O-N 2.68Å; Q186-Q188 VanDerWaalsContact C-N 3.28Å; Q186-Q188 PolarHBondContact O-N 3Å; Q188-E190 PolarHBondContact O-N 2.99Å; Q188-A191 PolarHBondContact O-N 2.76Å; Q188-Q192 WeakPolarHBondContact O-CB 3.42Å; Q188-Q192 PolarHBondContact O-N 3.4Å; Q188-V351 PolarHBondContact NE2-O 3.03Å; Q188-P353 HydrophobicContact CG-CG 4.38Å
189A98.4Very high97.2Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-59.9-46.7179.200000112.1V185 Q186 A191 Q192 E193 F219 Y220V185-A189 WeakPolarHBondContact O-CB 3.27Å; V185-A189 PolarHBondContact O-N 2.85Å; Q186-A189 PolarHBondContact O-N 2.83Å; A189-A191 PolarHBondContact O-N 2.87Å; A189-Q192 VanDerWaalsContact O-CB 3.28Å; A189-Q192 WeakPolarHBondContact O-CB 3.44Å; A189-Q192 PolarHBondContact O-N 3.45Å; A189-Q192 VanDerWaalsContact O-N 3.15Å; A189-E193 WeakPolarHBondContact O-CG 3.32Å; A189-E193 PolarHBondContact O-N 2.87Å; A189-E193 VanDerWaalsContact O-N 3.08Å; A189-F219 HydrophobicContact CB-CB 3.7Å; A189-Y220 HydrophobicContact CB-CD1 3.9Å; A189-Y220 HydrophobicContact CB-CD2 3.81Å; A189-Y220 HydrophobicContact CB-CE1 3.69Å; A189-Y220 HydrophobicContact CB-CE2 3.62Å; A189-Y220 HydrophobicContact CB-CG 3.96Å
190E98.4Very high97.1Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-64.8-39179.3-71.2179.3175.200112.2F5 R7 L147 Q186 Q188 Q192 E193 Y220 Y241F5-E190 HydrophobicContact CD1-CB 4.03Å; F5-E190 HydrophobicContact CD1-CG 3.57Å; F5-E190 HydrophobicContact CE1-CB 3.76Å; F5-E190 HydrophobicContact CE1-CG 3.78Å; F5-E190 HydrophobicContact CE2-CB 4.47Å; F5-E190 HydrophobicContact CG-CG 4.1Å; F5-E190 HydrophobicContact CZ-CB 4.01Å; F5-E190 HydrophobicContact CZ-CG 4.46Å; R7-E190 IonicContact CZ-OE1 2.83Å; R7-E190 IonicContact CZ-OE2 3.34Å; R7-E190 VanDerWaalsContact NH1-CD 3.26Å; R7-E190 IonicContact NH1-OE1 3.72Å; R7-E190 PolarHBondContact NH1-OE1 2.86Å; R7-E190 IonicContact NH1-OE2 2.99Å; R7-E190 PolarHBondContact NH1-OE2 3.05Å; R7-E190 IonicContact NH2-OE1 3.2Å; R7-E190 IonicContact NH2-OE2 3.05Å; R7-E190 PolarHBondContact NH2-OE2 2.97Å; L147-E190 HydrophobicContact CD1-CB 3.76Å; L147-E190 HydrophobicContact CD2-CB 4.15Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.47Å; Q186-E190 HydrophobicContact CG-CG 4.11Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.24Å; Q186-E190 PolarHBondContact NE2-OE1 2.9Å; Q186-E190 WeakPolarHBondContact O-CB 3.31Å; Q186-E190 WeakPolarHBondContact O-CG 3.31Å; Q186-E190 PolarHBondContact O-N 2.94Å; Q188-E190 PolarHBondContact O-N 2.99Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; E190-E193 WeakPolarHBondContact O-CB 3.28Å; E190-E193 PolarHBondContact O-N 3.14Å; E190-Y220 HydrophobicContact CG-CE1 4.49Å; E190-Y220 WeakPolarHBondContact CG-OH 3.18Å; E190-Y241 PolarHBondContact OE1-OH 3.24Å
191A98.1Very high96.8Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-67.3-36.6173.400000111.4H144 L147 K148 C187 Q188 A189 E193 V194 T195 V351H144-A191 PolarHBondContact CD2-O 2.84Å; L147-A191 HydrophobicContact CB-CB 3.89Å; L147-A191 HydrophobicContact CD1-CB 4.22Å; K148-A191 HydrophobicContact CG-CB 4.26Å; C187-A191 WeakPolarHBondContact O-CB 3.33Å; C187-A191 PolarHBondContact O-N 2.74Å; C187-A191 VanDerWaalsContact O-N 3.08Å; Q188-A191 PolarHBondContact O-N 2.76Å; A189-A191 PolarHBondContact O-N 2.87Å; A191-E193 PolarHBondContact O-N 3.39Å; A191-V194 WeakPolarHBondContact O-CB 3.36Å; A191-V194 PolarHBondContact O-N 3.27Å; A191-V194 VanDerWaalsContact O-N 3.08Å; A191-T195 PolarHBondContact O-N 2.71Å; A191-T195 VanDerWaalsContact O-N 3.15Å; A191-T195 PolarHBondContact O-OG1 3.2Å; A191-V351 HydrophobicContact CB-CB 4.39Å; A191-V351 HydrophobicContact CB-CG1 3.78Å; A191-V351 HydrophobicContact CB-CG2 4.05Å
192Q97.7Very high96.6Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-62.1-32.5176.1-159.867.44700111.7Q188 A189 E190 V194 T195 I196 T216 G349 V351Q188-Q192 WeakPolarHBondContact O-CB 3.42Å; Q188-Q192 PolarHBondContact O-N 3.4Å; A189-Q192 VanDerWaalsContact O-CB 3.28Å; A189-Q192 WeakPolarHBondContact O-CB 3.44Å; A189-Q192 PolarHBondContact O-N 3.45Å; A189-Q192 VanDerWaalsContact O-N 3.15Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; Q192-V194 VanDerWaalsContact C-N 3.31Å; Q192-V194 PolarHBondContact O-N 3.48Å; Q192-T195 WeakPolarHBondContact O-CB 3.47Å; Q192-T195 PolarHBondContact O-N 3.39Å; Q192-I196 WeakPolarHBondContact O-CG1 3.44Å; Q192-I196 PolarHBondContact O-N 3.17Å; Q192-T216 HydrophobicContact CB-CG2 4.31Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.4Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.38Å; Q192-G349 PolarHBondContact NE2-O 2.98Å; Q192-G349 PolarHBondContact OE1-O 3.33Å; Q192-V351 HydrophobicContact CB-CG2 4.43Å; Q192-V351 VanDerWaalsContact OE1-CG2 3.26Å
193E97.4Very high96.4Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-58.9-41.9172.2-54.8-163.7-169.600112.5H3 F5 A189 E190 A191 T195 I196 A197 T216 Y220 K245 Y249H3-E193 PolarHBondContact CE1-O 2.71Å; H3-E193 IonicContact ND1-OE2 2.8Å; H3-E193 PolarHBondContact ND1-OE2 2.98Å; F5-E193 HydrophobicContact CE1-CG 4.42Å; F5-E193 WeakPolarHBondContact CE1-OE2 3.33Å; A189-E193 WeakPolarHBondContact O-CG 3.32Å; A189-E193 PolarHBondContact O-N 2.87Å; A189-E193 VanDerWaalsContact O-N 3.08Å; E190-E193 WeakPolarHBondContact O-CB 3.28Å; E190-E193 PolarHBondContact O-N 3.14Å; A191-E193 PolarHBondContact O-N 3.39Å; E193-T195 VanDerWaalsContact C-N 3.33Å; E193-I196 PolarHBondContact O-N 3.14Å; E193-A197 PolarHBondContact O-N 3.15Å; E193-T216 HydrophobicContact CG-CG2 4.31Å; E193-Y220 WeakPolarHBondContact OE1-CE2 3.4Å; E193-Y220 PolarHBondContact OE1-OH 2.92Å; E193-K245 WeakPolarHBondContact OE1-CD 3.3Å; E193-K245 WeakPolarHBondContact OE1-CE 3.49Å; E193-K245 IonicContact OE1-NZ 3.81Å; E193-K245 PolarHBondContact OE1-NZ 3.15Å; E193-K245 IonicContact OE2-NZ 3.61Å; E193-K245 PolarHBondContact OE2-NZ 2.96Å; E193-Y249 VanDerWaalsContact CB-OH 3.25Å; E193-Y249 WeakPolarHBondContact CB-OH 3.41Å; E193-Y249 VanDerWaalsContact CD-CZ 3.43Å; E193-Y249 HydrophobicContact CG-CE1 4.24Å; E193-Y249 HydrophobicContact CG-CE2 3.58Å; E193-Y249 WeakPolarHBondContact CG-OH 3.42Å; E193-Y249 VanDerWaalsContact OE1-CE2 3.25Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.27Å; E193-Y249 PolarHBondContact OE2-OH 3.29Å
194V96.4Very high96.3Very high16 Ų1634.6 Ų34.610%0.09717%0.167CC..Hα-helixtrans-66.6-40.2178.1-173.10000110A140 V143 H144 A191 Q192 I196 A197 R198A140-V194 HydrophobicContact CB-CG1 4.4Å; V143-V194 HydrophobicContact CG1-CG2 3.85Å; H144-V194 HydrophobicContact CB-CB 4.22Å; H144-V194 HydrophobicContact CB-CG1 4.01Å; A191-V194 WeakPolarHBondContact O-CB 3.36Å; A191-V194 PolarHBondContact O-N 3.27Å; A191-V194 VanDerWaalsContact O-N 3.08Å; Q192-V194 VanDerWaalsContact C-N 3.31Å; Q192-V194 PolarHBondContact O-N 3.48Å; V194-I196 PolarHBondContact O-N 3.08Å; V194-A197 PolarHBondContact O-N 3.21Å; V194-R198 PolarHBondContact O-N 3.08Å
195T96.2Very high96.1Very high28 Ų2838.9 Ų38.917%0.17219%0.19CC..Hα-helixtrans-60.7-43.3173.7-56.40000112.1A191 Q192 E193 R198 A199 L212 G349A191-T195 PolarHBondContact O-N 2.71Å; A191-T195 VanDerWaalsContact O-N 3.15Å; A191-T195 PolarHBondContact O-OG1 3.2Å; Q192-T195 WeakPolarHBondContact O-CB 3.47Å; Q192-T195 PolarHBondContact O-N 3.39Å; E193-T195 VanDerWaalsContact C-N 3.33Å; T195-R198 PolarHBondContact O-N 3.34Å; T195-A199 WeakPolarHBondContact O-CB 3.41Å; T195-A199 PolarHBondContact O-N 3.34Å; T195-L212 HydrophobicContact CG2-CD1 4.48Å; T195-G349 WeakPolarHBondContact CG2-O 3.38Å
196I96.4Very high95.9Very high4 Ų440.2 Ų40.22%0.02120%0.199CC..Hα-helixtrans-61.5-48175.7-71164.1000110.6Q192 E193 V194 R198 A199 I200 I209 L212 A213 T216 Y249Q192-I196 WeakPolarHBondContact O-CG1 3.44Å; Q192-I196 PolarHBondContact O-N 3.17Å; E193-I196 PolarHBondContact O-N 3.14Å; V194-I196 PolarHBondContact O-N 3.08Å; I196-R198 VanDerWaalsContact C-N 3.28Å; I196-R198 PolarHBondContact O-N 2.87Å; I196-A199 PolarHBondContact O-N 3.48Å; I196-A199 VanDerWaalsContact O-N 3.11Å; I196-I200 HydrophobicContact CG2-CD1 3.78Å; I196-I200 HydrophobicContact CG2-CG1 4.43Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.46Å; I196-I200 PolarHBondContact O-N 3.08Å; I196-I209 HydrophobicContact CG2-CG2 4.33Å; I196-L212 HydrophobicContact CD1-CB 4.28Å; I196-L212 HydrophobicContact CG1-CB 3.65Å; I196-A213 HydrophobicContact CD1-CB 4.15Å; I196-T216 HydrophobicContact CD1-CG2 4.45Å; I196-T216 VanDerWaalsContact CD1-OG1 3.23Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.31Å; I196-Y249 HydrophobicContact CD1-CD1 3.8Å; I196-Y249 HydrophobicContact CD1-CE1 3.65Å
197A94.1Very high95.8Very high14 Ų1441 Ų4112%0.11621%0.208CC..Hα-helixtrans-58.2-42.5179.100000111.5M1 E193 V194 I200 E201M1-A197 HydrophobicContact CB-CB 3.9Å; M1-A197 HydrophobicContact CE-CB 4.42Å; M1-A197 HydrophobicContact SD-CB 4.31Å; E193-A197 PolarHBondContact O-N 3.15Å; V194-A197 PolarHBondContact O-N 3.21Å; A197-I200 PolarHBondContact O-N 3.42Å; A197-E201 WeakPolarHBondContact O-CB 3.49Å; A197-E201 PolarHBondContact O-N 2.95Å
198R92.9Very high95.6Very high79 Ų7942.8 Ų42.830%0.29822%0.217SC..Hα-helixtrans-67.1-39.4175.1-175.455.3172.4-170.7-7112.4E137 V194 T195 I196 I200 E201 L202E137-R198 VanDerWaalsContact CD-NH2 3.31Å; E137-R198 IonicContact OE1-CZ 3.87Å; E137-R198 IonicContact OE1-NH2 3.52Å; E137-R198 PolarHBondContact OE1-NH2 3.01Å; E137-R198 IonicContact OE2-CZ 3.21Å; E137-R198 IonicContact OE2-NH1 2.87Å; E137-R198 PolarHBondContact OE2-NH1 3.21Å; E137-R198 IonicContact OE2-NH2 2.99Å; E137-R198 PolarHBondContact OE2-NH2 3.18Å; V194-R198 PolarHBondContact O-N 3.08Å; T195-R198 PolarHBondContact O-N 3.34Å; I196-R198 VanDerWaalsContact C-N 3.28Å; I196-R198 PolarHBondContact O-N 2.87Å; R198-I200 VanDerWaalsContact C-N 3.28Å; R198-I200 PolarHBondContact O-N 3.32Å; R198-E201 VanDerWaalsContact CD-OE2 3.3Å; R198-E201 WeakPolarHBondContact CD-OE2 3.39Å; R198-E201 IonicContact CZ-OE2 3Å; R198-E201 IonicContact NE-OE2 3.95Å; R198-E201 IonicContact NH1-OE1 2.6Å; R198-E201 PolarHBondContact NH1-OE1 3.46Å; R198-E201 IonicContact NH1-OE2 3.78Å; R198-E201 PolarHBondContact NH1-OE2 3.41Å; R198-E201 PolarHBondContact O-N 3.35Å; R198-L202 HydrophobicContact CG-CD1 3.98Å; R198-L202 HydrophobicContact CG-CG 4.33Å; R198-L202 WeakPolarHBondContact O-CB 3.33Å; R198-L202 WeakPolarHBondContact O-CG 3.27Å; R198-L202 PolarHBondContact O-N 3.35Å
199A94.2Very high95.6Very high8 Ų842 Ų427%0.06621%0.214CC..Hα-helixtrans-63.3-37.8178.200000111.8T195 I196 K203 H204 I209 L212T195-A199 WeakPolarHBondContact O-CB 3.41Å; T195-A199 PolarHBondContact O-N 3.34Å; I196-A199 PolarHBondContact O-N 3.48Å; I196-A199 VanDerWaalsContact O-N 3.11Å; A199-K203 PolarHBondContact O-N 2.9Å; A199-H204 HydrophobicContact CB-CB 4.4Å; A199-H204 WeakPolarHBondContact O-CB 3.49Å; A199-H204 PolarHBondContact O-CD2 2.96Å; A199-H204 PolarHBondContact O-N 2.87Å; A199-I209 HydrophobicContact CB-CG1 4.18Å; A199-L212 HydrophobicContact CB-CD1 4.03Å
200I93.6Very high95.5Very high39 Ų3942 Ų4220%0.221%0.214CC..Hα-helixtrans-66.1-46.7173.7-66.1166.7000110.8M1 I196 A197 R198 L202 K203 I209 Y252 Y256M1-I200 HydrophobicContact CE-CD1 4.36Å; I196-I200 HydrophobicContact CG2-CD1 3.78Å; I196-I200 HydrophobicContact CG2-CG1 4.43Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.46Å; I196-I200 PolarHBondContact O-N 3.08Å; A197-I200 PolarHBondContact O-N 3.42Å; R198-I200 VanDerWaalsContact C-N 3.28Å; R198-I200 PolarHBondContact O-N 3.32Å; I200-L202 VanDerWaalsContact C-N 3.34Å; I200-L202 PolarHBondContact O-N 3.32Å; I200-K203 WeakPolarHBondContact O-CA 3.41Å; I200-K203 PolarHBondContact O-N 3.11Å; I200-I209 HydrophobicContact CD1-CG2 4.24Å; I200-I209 HydrophobicContact CG1-CD1 3.91Å; I200-I209 HydrophobicContact CG1-CG1 4.35Å; I200-I209 HydrophobicContact CG1-CG2 3.89Å; I200-Y252 HydrophobicContact CD1-CE1 4.06Å; I200-Y256 HydrophobicContact CD1-CE2 4.23Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.03Å; I200-Y256 HydrophobicContact CG1-CE1 4.49Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.44Å
201E91.6Very high95.5Very high121 Ų12142.3 Ų42.357%0.56522%0.216SC*.Hα-helixtrans-59.9-43.7179.2-176.3-175.6-164.100112.1A197 R198 K203A197-E201 WeakPolarHBondContact O-CB 3.49Å; A197-E201 PolarHBondContact O-N 2.95Å; R198-E201 VanDerWaalsContact CD-OE2 3.3Å; R198-E201 WeakPolarHBondContact CD-OE2 3.39Å; R198-E201 IonicContact CZ-OE2 3Å; R198-E201 IonicContact NE-OE2 3.95Å; R198-E201 IonicContact NH1-OE1 2.6Å; R198-E201 PolarHBondContact NH1-OE1 3.46Å; R198-E201 IonicContact NH1-OE2 3.78Å; R198-E201 PolarHBondContact NH1-OE2 3.41Å; R198-E201 PolarHBondContact O-N 3.35Å; E201-K203 PolarHBondContact O-N 3.01Å
202L93.5Very high95.5Very high94 Ų9442.4 Ų42.449%0.49222%0.216SC..THydrogen-bonded Turntrans-76.64.6175.7-66.3178.7000113.5R198 I200 H204R198-L202 HydrophobicContact CG-CD1 3.98Å; R198-L202 HydrophobicContact CG-CG 4.33Å; R198-L202 WeakPolarHBondContact O-CB 3.33Å; R198-L202 WeakPolarHBondContact O-CG 3.27Å; R198-L202 PolarHBondContact O-N 3.35Å; I200-L202 VanDerWaalsContact C-N 3.34Å; I200-L202 PolarHBondContact O-N 3.32Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.1Å
203K94.3Very high95.5Very high184 Ų18442.4 Ų42.480%0.822%0.216SC*.THydrogen-bonded Turntrans54.539.7177.3-52.8-178.6-177.9176.80113.3A199 I200 E201A199-K203 PolarHBondContact O-N 2.9Å; I200-K203 WeakPolarHBondContact O-CA 3.41Å; I200-K203 PolarHBondContact O-N 3.11Å; E201-K203 PolarHBondContact O-N 3.01Å
204H95.2Very high95.5Very high87 Ų8744.9 Ų44.940%0.40323%0.226SC..  trans-61.5162.9174-79.7-84.9000112.1A199 L202 L208 I209A199-H204 HydrophobicContact CB-CB 4.4Å; A199-H204 WeakPolarHBondContact O-CB 3.49Å; A199-H204 PolarHBondContact O-CD2 2.96Å; A199-H204 PolarHBondContact O-N 2.87Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.1Å; H204-L208 HydrophobicContact CB-CD2 4.17Å; H204-I209 WeakPolarHBondContact O-CD1 3.37Å
205N94.9Very high95.6Very high105 Ų10546 Ų4656%0.56123%0.231SC*.  trans-53132.2178.3-176.1-46.7000111.2G207 L208 I209N205-G207 PolarHBondContact O-N 3.43Å; N205-G207 VanDerWaalsContact O-N 3.12Å; N205-G207 PolarHBondContact OD1-N 2.79Å; N205-L208 WeakPolarHBondContact O-CB 3.48Å; N205-L208 PolarHBondContact O-N 2.84Å; N205-I209 PolarHBondContact O-N 3.41Å
206P95.1Very high95.7Very high38 Ų3844.7 Ų44.725%0.24722%0.222CC..Hα-helixtrans-52.2-34177.8-28.735.4000114.6L208 I209 A210 Y256 Q259P206-L208 VanDerWaalsContact C-N 3.35Å; P206-L208 PolarHBondContact O-N 3.08Å; P206-I209 PolarHBondContact O-N 3.47Å; P206-A210 WeakPolarHBondContact O-CB 3.48Å; P206-A210 PolarHBondContact O-N 2.98Å; P206-Y256 HydrophobicContact CB-CD1 4.07Å; P206-Q259 HydrophobicContact CB-CB 4Å; P206-Q259 HydrophobicContact CG-CB 4.31Å
207G95.9Very high95.7Very high22 Ų2244.6 Ų44.623%0.22722%0.222CC..Hα-helixtrans-65.3-36.417800000112.9N205 A211 T260N205-G207 PolarHBondContact O-N 3.43Å; N205-G207 VanDerWaalsContact O-N 3.12Å; N205-G207 PolarHBondContact OD1-N 2.79Å; G207-A211 WeakPolarHBondContact O-CB 3.48Å; G207-A211 PolarHBondContact O-N 3.47Å; G207-T260 VanDerWaalsContact CA-OG1 3.31Å; G207-T260 WeakPolarHBondContact CA-OG1 3.36Å; G207-T260 PolarHBondContact N-OG1 2.99Å
208L95.8Very high95.9Very high40 Ų4045.9 Ų45.921%0.20923%0.227CC..Hα-helixtrans-66.8-44.7173.1176.662.4000110.5H204 N205 P206 A210 A211 L212H204-L208 HydrophobicContact CB-CD2 4.17Å; N205-L208 WeakPolarHBondContact O-CB 3.48Å; N205-L208 PolarHBondContact O-N 2.84Å; P206-L208 VanDerWaalsContact C-N 3.35Å; P206-L208 PolarHBondContact O-N 3.08Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A210 PolarHBondContact O-N 3.28Å; L208-A211 PolarHBondContact O-N 3.14Å; L208-L212 HydrophobicContact CD1-CD1 4.22Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CG-CD1 3.98Å; L208-L212 HydrophobicContact CG-CG 4.41Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.25Å; L208-L212 PolarHBondContact O-N 2.87Å
209I96.8Very high96.2Very high4 Ų443.9 Ų43.92%0.02122%0.221CC..Hα-helixtrans-63-42178.9-61.2165000110.5I196 A199 I200 H204 N205 P206 A211 L212 A213 Y256I196-I209 HydrophobicContact CG2-CG2 4.33Å; A199-I209 HydrophobicContact CB-CG1 4.18Å; I200-I209 HydrophobicContact CD1-CG2 4.24Å; I200-I209 HydrophobicContact CG1-CD1 3.91Å; I200-I209 HydrophobicContact CG1-CG1 4.35Å; I200-I209 HydrophobicContact CG1-CG2 3.89Å; H204-I209 WeakPolarHBondContact O-CD1 3.37Å; N205-I209 PolarHBondContact O-N 3.41Å; P206-I209 PolarHBondContact O-N 3.47Å; I209-A211 PolarHBondContact O-N 3.28Å; I209-L212 PolarHBondContact O-N 3.01Å; I209-A213 WeakPolarHBondContact O-CB 2.97Å; I209-A213 PolarHBondContact O-N 2.83Å; I209-Y256 HydrophobicContact CB-CD1 3.75Å; I209-Y256 HydrophobicContact CB-CE1 4.11Å; I209-Y256 HydrophobicContact CB-CG 3.99Å; I209-Y256 HydrophobicContact CD1-CD1 3.94Å; I209-Y256 HydrophobicContact CD1-CE1 3.6Å; I209-Y256 HydrophobicContact CG1-CD1 4.46Å; I209-Y256 HydrophobicContact CG1-CE1 4.45Å; I209-Y256 HydrophobicContact CG2-CD1 3.62Å; I209-Y256 HydrophobicContact CG2-CD2 3.67Å; I209-Y256 HydrophobicContact CG2-CE1 3.74Å; I209-Y256 HydrophobicContact CG2-CE2 3.8Å; I209-Y256 HydrophobicContact CG2-CG 3.58Å
210A97.3Very high96.4Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-60.1-44.717500000111.7P206 L208 A213 Y214 H257 L344P206-A210 WeakPolarHBondContact O-CB 3.48Å; P206-A210 PolarHBondContact O-N 2.98Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A210 PolarHBondContact O-N 3.28Å; A210-A213 PolarHBondContact O-N 2.95Å; A210-Y214 WeakPolarHBondContact O-CB 3.41Å; A210-Y214 PolarHBondContact O-N 2.85Å; A210-H257 HydrophobicContact CB-CB 4.18Å; A210-L344 HydrophobicContact CB-CD1 3.68Å
211A97.6Very high96.6Very high5 Ų545.8 Ų45.84%0.04123%0.227CC..Hα-helixtrans-65.7-43.5178.100000112.4G207 L208 I209 A213 Y214 E215 L344 A346G207-A211 WeakPolarHBondContact O-CB 3.48Å; G207-A211 PolarHBondContact O-N 3.47Å; L208-A211 PolarHBondContact O-N 3.14Å; I209-A211 PolarHBondContact O-N 3.28Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 2.81Å; A211-Y214 PolarHBondContact O-N 2.96Å; A211-E215 VanDerWaalsContact O-CG 3.29Å; A211-E215 WeakPolarHBondContact O-CG 3.42Å; A211-E215 PolarHBondContact O-N 2.94Å; A211-L344 HydrophobicContact CB-CB 3.95Å; A211-A346 HydrophobicContact CB-CB 4.04Å
212L97.7Very high96.9Very high2 Ų245.8 Ų45.81%0.0123%0.225CC..Hα-helixtrans-60.9-42.8175.2-67.8167.2000111.4T195 I196 A199 L208 I209 T216 A346 Y348T195-L212 HydrophobicContact CG2-CD1 4.48Å; I196-L212 HydrophobicContact CD1-CB 4.28Å; I196-L212 HydrophobicContact CG1-CB 3.65Å; A199-L212 HydrophobicContact CB-CD1 4.03Å; L208-L212 HydrophobicContact CD1-CD1 4.22Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CG-CD1 3.98Å; L208-L212 HydrophobicContact CG-CG 4.41Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.25Å; L208-L212 PolarHBondContact O-N 2.87Å; I209-L212 PolarHBondContact O-N 3.01Å; L212-T216 WeakPolarHBondContact O-CB 3.29Å; L212-T216 PolarHBondContact O-N 2.83Å; L212-T216 PolarHBondContact O-OG1 3.43Å; L212-A346 HydrophobicContact CD2-CB 3.85Å; L212-A346 HydrophobicContact CG-CB 4.27Å; L212-Y348 WeakPolarHBondContact CD2-O 3.38Å
213A97.8Very high97.2Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-65.9-39.8176.800000112.5I196 I209 A210 A211 T216 A217 Y249 A253I196-A213 HydrophobicContact CD1-CB 4.15Å; I209-A213 WeakPolarHBondContact O-CB 2.97Å; I209-A213 PolarHBondContact O-N 2.83Å; A210-A213 PolarHBondContact O-N 2.95Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 2.81Å; A213-T216 WeakPolarHBondContact O-CB 3.49Å; A213-T216 PolarHBondContact O-N 3.1Å; A213-A217 PolarHBondContact O-N 2.87Å; A213-Y249 HydrophobicContact CB-CD1 4.37Å; A213-A253 HydrophobicContact CB-CB 4.04Å
214Y98.2Very high97.3Very high53 Ų5333.1 Ų33.121%0.20817%0.167CC..Hα-helixtrans-60.8-50.2176-175.5-106.5000111.4A210 A211 T216 A217 N218 M250 L342 L344A210-Y214 WeakPolarHBondContact O-CB 3.41Å; A210-Y214 PolarHBondContact O-N 2.85Å; A211-Y214 PolarHBondContact O-N 2.96Å; Y214-T216 VanDerWaalsContact C-N 3.3Å; Y214-T216 PolarHBondContact O-N 3.21Å; Y214-A217 WeakPolarHBondContact O-CB 3.24Å; Y214-A217 PolarHBondContact O-N 2.81Å; Y214-N218 WeakPolarHBondContact CD1-ND2 3.29Å; Y214-N218 WeakPolarHBondContact CE1-ND2 3.28Å; Y214-N218 VanDerWaalsContact O-CG 3.3Å; Y214-N218 PolarHBondContact O-N 2.72Å; Y214-N218 PolarHBondContact O-ND2 3.34Å; Y214-M250 HydrophobicContact CD2-CE 3.4Å; Y214-M250 VanDerWaalsContact CD2-CE 3.4Å; Y214-M250 HydrophobicContact CD2-SD 3.73Å; Y214-M250 HydrophobicContact CE2-CE 3.92Å; Y214-M250 HydrophobicContact CE2-SD 4.04Å; Y214-M250 HydrophobicContact CG-CE 4.28Å; Y214-L342 HydrophobicContact CD2-CB 3.72Å; Y214-L342 HydrophobicContact CD2-CD1 3.89Å; Y214-L342 HydrophobicContact CD2-CG 4.48Å; Y214-L342 HydrophobicContact CE2-CB 3.59Å; Y214-L342 HydrophobicContact CE2-CD1 4.36Å; Y214-L342 PolarHBondContact OH-O 3.17Å; Y214-L344 HydrophobicContact CD1-CB 4.11Å; Y214-L344 VanDerWaalsContact CD1-O 3.23Å; Y214-L344 WeakPolarHBondContact CD1-O 3.41Å; Y214-L344 HydrophobicContact CG-CB 4.24Å
215E97.6Very high97.5Very high40 Ų4034.2 Ų34.219%0.18717%0.172CC..Hα-helixtrans-63.4-36.4177.6-64.3-76.9-16000111.9A211 A217 N218 F219 A346 L350A211-E215 VanDerWaalsContact O-CG 3.29Å; A211-E215 WeakPolarHBondContact O-CG 3.42Å; A211-E215 PolarHBondContact O-N 2.94Å; E215-A217 PolarHBondContact O-N 2.75Å; E215-N218 WeakPolarHBondContact O-CB 3.35Å; E215-N218 PolarHBondContact O-N 2.96Å; E215-F219 WeakPolarHBondContact O-CD2 3.25Å; E215-F219 PolarHBondContact O-N 2.7Å; E215-A346 HydrophobicContact CG-CB 4.32Å; E215-L350 HydrophobicContact CB-CD2 3.89Å; E215-L350 HydrophobicContact CG-CD2 4Å
216T98.3Very high97.6Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-61.2-45.1174.2-55.90000111.8Q192 E193 I196 L212 A213 Y214 N218 F219 Y220 Y249Q192-T216 HydrophobicContact CB-CG2 4.31Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.4Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.38Å; E193-T216 HydrophobicContact CG-CG2 4.31Å; I196-T216 HydrophobicContact CD1-CG2 4.45Å; I196-T216 VanDerWaalsContact CD1-OG1 3.23Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.31Å; L212-T216 WeakPolarHBondContact O-CB 3.29Å; L212-T216 PolarHBondContact O-N 2.83Å; L212-T216 PolarHBondContact O-OG1 3.43Å; A213-T216 WeakPolarHBondContact O-CB 3.49Å; A213-T216 PolarHBondContact O-N 3.1Å; Y214-T216 VanDerWaalsContact C-N 3.3Å; Y214-T216 PolarHBondContact O-N 3.21Å; T216-N218 VanDerWaalsContact C-N 3.3Å; T216-N218 PolarHBondContact O-N 3.26Å; T216-F219 PolarHBondContact O-N 2.62Å; T216-Y220 HydrophobicContact CG2-CD2 3.98Å; T216-Y220 HydrophobicContact CG2-CE2 3.79Å; T216-Y220 VanDerWaalsContact O-CD2 3.29Å; T216-Y220 WeakPolarHBondContact O-CD2 3.37Å; T216-Y220 PolarHBondContact O-N 2.95Å; T216-Y220 VanDerWaalsContact O-N 3.12Å; T216-Y249 HydrophobicContact CG2-CD1 3.85Å; T216-Y249 HydrophobicContact CG2-CD2 3.8Å; T216-Y249 HydrophobicContact CG2-CE1 4.22Å; T216-Y249 HydrophobicContact CG2-CE2 4.18Å; T216-Y249 HydrophobicContact CG2-CG 3.65Å
217A98.3Very high97.6Very high1 Ų129.1 Ų29.11%0.00814%0.144CC..Hα-helixtrans-63.9-37.4176.800000112A213 Y214 E215 Y220 Q221 T246 M250A213-A217 PolarHBondContact O-N 2.87Å; Y214-A217 WeakPolarHBondContact O-CB 3.24Å; Y214-A217 PolarHBondContact O-N 2.81Å; E215-A217 PolarHBondContact O-N 2.75Å; A217-Y220 PolarHBondContact O-N 3.5Å; A217-Q221 WeakPolarHBondContact O-CB 3.47Å; A217-Q221 PolarHBondContact O-N 2.87Å; A217-T246 PolarHBondContact O-OG1 2.79Å; A217-M250 HydrophobicContact CB-CB 4.4Å; A217-M250 HydrophobicContact CB-CE 3.21Å
218N98Very high97.6Very high42 Ų4231.1 Ų31.123%0.22516%0.155CC..Hα-helixtrans-65.2-40.3175.9-66-20.6000112Y214 E215 T216 Q221 K222Y214-N218 WeakPolarHBondContact CD1-ND2 3.29Å; Y214-N218 WeakPolarHBondContact CE1-ND2 3.28Å; Y214-N218 VanDerWaalsContact O-CG 3.3Å; Y214-N218 PolarHBondContact O-N 2.72Å; Y214-N218 PolarHBondContact O-ND2 3.34Å; E215-N218 WeakPolarHBondContact O-CB 3.35Å; E215-N218 PolarHBondContact O-N 2.96Å; T216-N218 VanDerWaalsContact C-N 3.3Å; T216-N218 PolarHBondContact O-N 3.26Å; N218-Q221 PolarHBondContact O-N 3.32Å; N218-K222 VanDerWaalsContact O-CB 3.3Å; N218-K222 WeakPolarHBondContact O-CB 3.21Å; N218-K222 PolarHBondContact O-N 2.94Å
219F98.4Very high97.5Very high37 Ų3732.1 Ų32.116%0.16217%0.165CC..Hα-helixtrans-59.5-50.3172.1-73.1-50.9000111.2V185 A189 E215 T216 Q221 K222 A223V185-F219 HydrophobicContact CG1-CB 3.85Å; V185-F219 HydrophobicContact CG1-CD1 4.03Å; V185-F219 HydrophobicContact CG1-CG 4.39Å; V185-F219 WeakPolarHBondContact CG1-O 3.41Å; A189-F219 HydrophobicContact CB-CB 3.7Å; E215-F219 WeakPolarHBondContact O-CD2 3.25Å; E215-F219 PolarHBondContact O-N 2.7Å; T216-F219 PolarHBondContact O-N 2.62Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 2.84Å; F219-K222 PolarHBondContact O-N 2.85Å; F219-A223 PolarHBondContact O-N 2.84Å
220Y98.6Very high97.3Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-60.2-39.3177.4-78.8-59.8000113A189 E190 E193 T216 A217 A223 D224 Y241 L242 K245 T246 Y249A189-Y220 HydrophobicContact CB-CD1 3.9Å; A189-Y220 HydrophobicContact CB-CD2 3.81Å; A189-Y220 HydrophobicContact CB-CE1 3.69Å; A189-Y220 HydrophobicContact CB-CE2 3.62Å; A189-Y220 HydrophobicContact CB-CG 3.96Å; E190-Y220 HydrophobicContact CG-CE1 4.49Å; E190-Y220 WeakPolarHBondContact CG-OH 3.18Å; E193-Y220 WeakPolarHBondContact OE1-CE2 3.4Å; E193-Y220 PolarHBondContact OE1-OH 2.92Å; T216-Y220 HydrophobicContact CG2-CD2 3.98Å; T216-Y220 HydrophobicContact CG2-CE2 3.79Å; T216-Y220 VanDerWaalsContact O-CD2 3.29Å; T216-Y220 WeakPolarHBondContact O-CD2 3.37Å; T216-Y220 PolarHBondContact O-N 2.95Å; T216-Y220 VanDerWaalsContact O-N 3.12Å; A217-Y220 PolarHBondContact O-N 3.5Å; Y220-A223 PolarHBondContact O-N 3.23Å; Y220-D224 PolarHBondContact O-N 3.43Å; Y220-Y241 HydrophobicContact CE1-CE1 4.17Å; Y220-L242 HydrophobicContact CD1-CD2 3.75Å; Y220-L242 HydrophobicContact CE1-CD2 4.24Å; Y220-K245 HydrophobicContact CD1-CB 3.77Å; Y220-K245 HydrophobicContact CD1-CG 4.4Å; Y220-K245 HydrophobicContact CD2-CB 3.52Å; Y220-K245 HydrophobicContact CD2-CG 4.49Å; Y220-K245 HydrophobicContact CE1-CB 3.86Å; Y220-K245 HydrophobicContact CE1-CG 4.03Å; Y220-K245 HydrophobicContact CE2-CB 3.59Å; Y220-K245 HydrophobicContact CE2-CD 4.19Å; Y220-K245 HydrophobicContact CE2-CG 4.09Å; Y220-K245 HydrophobicContact CG-CB 3.6Å; Y220-T246 VanDerWaalsContact C-OG1 3.32Å; Y220-T246 VanDerWaalsContact CB-OG1 3.26Å; Y220-T246 WeakPolarHBondContact CB-OG1 2.98Å; Y220-Y249 HydrophobicContact CD2-CD2 4.23Å; Y220-Y249 AromaticContact CE2-CD2 3.96Å; Y220-Y249 HydrophobicContact CE2-CD2 3.96Å; Y220-Y249 HydrophobicContact CE2-CE2 4.17Å
221Q98.4Very high97.1Very high87 Ų8735.8 Ų35.841%0.40719%0.185SC..Hα-helixtrans-65.6-43.7177.6-172-178.538.400111.3A217 N218 F219 A223 D224 Q225 T246A217-Q221 WeakPolarHBondContact O-CB 3.47Å; A217-Q221 PolarHBondContact O-N 2.87Å; N218-Q221 PolarHBondContact O-N 3.32Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 2.84Å; Q221-A223 VanDerWaalsContact C-N 3.33Å; Q221-A223 PolarHBondContact O-N 3.48Å; Q221-D224 PolarHBondContact O-N 3.09Å; Q221-Q225 WeakPolarHBondContact O-CB 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 3.37Å; Q221-Q225 PolarHBondContact O-N 3.45Å; Q221-T246 WeakPolarHBondContact CA-OG1 3.33Å; Q221-T246 HydrophobicContact CB-CG2 3.93Å; Q221-T246 HydrophobicContact CG-CG2 4.44Å; Q221-T246 PolarHBondContact N-OG1 3.02Å
222K98.1Very high96.8Very high120 Ų12039.9 Ų39.952%0.52221%0.211SC..Hα-helixtrans-61.1-41.9176.4-179.7178179-1780111.4V185 N218 F219 Q225 T226V185-K222 HydrophobicContact CG1-CB 4.43Å; V185-K222 HydrophobicContact CG2-CD 4.39Å; N218-K222 VanDerWaalsContact O-CB 3.3Å; N218-K222 WeakPolarHBondContact O-CB 3.21Å; N218-K222 PolarHBondContact O-N 2.94Å; F219-K222 PolarHBondContact O-N 2.85Å; K222-Q225 PolarHBondContact O-N 3.48Å; K222-T226 WeakPolarHBondContact O-CB 3.48Å; K222-T226 PolarHBondContact O-N 3.2Å; K222-T226 PolarHBondContact O-OG1 3.46Å
223A98Very high96.5Very high0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-61.5-45.2174.300000111.4S182 V185 F219 Y220 Q221 Q225 T226 L227 L242S182-A223 PolarHBondContact OG-O 3.31Å; V185-A223 HydrophobicContact CB-CB 4.28Å; V185-A223 HydrophobicContact CG1-CB 4.06Å; F219-A223 PolarHBondContact O-N 2.84Å; Y220-A223 PolarHBondContact O-N 3.23Å; Q221-A223 VanDerWaalsContact C-N 3.33Å; Q221-A223 PolarHBondContact O-N 3.48Å; A223-Q225 PolarHBondContact O-N 2.93Å; A223-T226 PolarHBondContact O-N 2.88Å; A223-L227 PolarHBondContact O-N 3.32Å; A223-L242 HydrophobicContact CB-CD1 3.94Å; A223-L242 HydrophobicContact CB-CD2 4.03Å
224D98.1Very high96.1Very high12 Ų1246.6 Ų46.66%0.06425%0.249CC..Hα-helixtrans-62.3-45.7177.3-177.865000112.7Y220 Q221 T226 L227 S228 R239 L242 N243Y220-D224 PolarHBondContact O-N 3.43Å; Q221-D224 PolarHBondContact O-N 3.09Å; D224-T226 VanDerWaalsContact C-N 3.27Å; D224-T226 PolarHBondContact O-N 3.21Å; D224-L227 PolarHBondContact O-N 3.1Å; D224-L227 VanDerWaalsContact O-N 3.11Å; D224-S228 PolarHBondContact O-N 2.96Å; D224-S228 VanDerWaalsContact O-N 3.14Å; D224-R239 WeakPolarHBondContact OD1-CB 3.48Å; D224-R239 VanDerWaalsContact OD1-CG 3.3Å; D224-R239 WeakPolarHBondContact OD1-CG 3.36Å; D224-R239 IonicContact OD1-CZ 2.91Å; D224-R239 IonicContact OD1-NE 3.92Å; D224-R239 PolarHBondContact OD1-NE 3.44Å; D224-R239 IonicContact OD1-NH2 2.65Å; D224-R239 PolarHBondContact OD1-NH2 2.76Å; D224-R239 IonicContact OD2-CZ 3.28Å; D224-R239 IonicContact OD2-NE 3.92Å; D224-R239 IonicContact OD2-NH2 2.71Å; D224-R239 PolarHBondContact OD2-NH2 2.98Å; D224-L242 HydrophobicContact CB-CB 4Å; D224-L242 HydrophobicContact CB-CD1 4.38Å; D224-N243 PolarHBondContact OD1-ND2 3.27Å; D224-N243 PolarHBondContact OD2-ND2 3.49Å
225Q97.8Very high95.9Very high110 Ų11044.1 Ų44.151%0.51424%0.239SC..Hα-helixtrans-60.5-38.9178.9-74.3174.4-600111.5Q221 K222 A223 L227 S228Q221-Q225 WeakPolarHBondContact O-CB 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 3.37Å; Q221-Q225 PolarHBondContact O-N 3.45Å; K222-Q225 PolarHBondContact O-N 3.48Å; A223-Q225 PolarHBondContact O-N 2.93Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; Q225-L227 PolarHBondContact O-N 3.1Å; Q225-S228 VanDerWaalsContact O-CB 3.29Å; Q225-S228 WeakPolarHBondContact O-CB 3.44Å; Q225-S228 PolarHBondContact O-N 3.07Å; Q225-S228 VanDerWaalsContact O-N 3.13Å; Q225-S228 PolarHBondContact O-OG 2.76Å
226T97.2Very high95.8Very high36 Ų3643 Ų4322%0.22124%0.238CC..Hα-helixtrans-61.2-36.1177.2-580000111.6R178 D181 S182 K222 A223 D224R178-T226 HydrophobicContact CB-CG2 4.06Å; R178-T226 WeakPolarHBondContact CD-O 3.31Å; R178-T226 HydrophobicContact CG-CG2 4.22Å; R178-T226 WeakPolarHBondContact CG-O 3.4Å; R178-T226 WeakPolarHBondContact O-CG2 3.47Å; D181-T226 HydrophobicContact CB-CG2 4.12Å; S182-T226 WeakPolarHBondContact OG-CB 3.3Å; S182-T226 WeakPolarHBondContact OG-CG2 3.12Å; K222-T226 WeakPolarHBondContact O-CB 3.48Å; K222-T226 PolarHBondContact O-N 3.2Å; K222-T226 PolarHBondContact O-OG1 3.46Å; A223-T226 PolarHBondContact O-N 2.88Å; D224-T226 VanDerWaalsContact C-N 3.27Å; D224-T226 PolarHBondContact O-N 3.21Å
227L96.6Very high95.6Very high0 Ų043.2 Ų43.20%024%0.239CC..Hα-helixtrans-84.4-7.6178.1-60.4175.5000114.1L179 S182 A223 D224 Q225 S229 L230 W238 R239 L242L179-L227 HydrophobicContact CD1-CD2 4.37Å; S182-L227 VanDerWaalsContact OG-CD2 3.23Å; S182-L227 WeakPolarHBondContact OG-CD2 3.48Å; S182-L227 VanDerWaalsContact OG-CG 3.26Å; S182-L227 WeakPolarHBondContact OG-CG 3.17Å; A223-L227 PolarHBondContact O-N 3.32Å; D224-L227 PolarHBondContact O-N 3.1Å; D224-L227 VanDerWaalsContact O-N 3.11Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; Q225-L227 PolarHBondContact O-N 3.1Å; L227-S229 PolarHBondContact O-N 3.27Å; L227-S229 VanDerWaalsContact O-N 3.12Å; L227-L230 HydrophobicContact CB-CD1 4.43Å; L227-L230 HydrophobicContact CD2-CD1 3.64Å; L227-L230 WeakPolarHBondContact O-CB 3.42Å; L227-L230 PolarHBondContact O-N 3.15Å; L227-L230 VanDerWaalsContact O-N 3.12Å; L227-W238 HydrophobicContact CD1-CD2 3.57Å; L227-W238 HydrophobicContact CD1-CE3 3.42Å; L227-W238 VanDerWaalsContact CD1-CE3 3.42Å; L227-W238 HydrophobicContact CD1-CG 4.23Å; L227-W238 HydrophobicContact CD1-CH2 4.05Å; L227-W238 HydrophobicContact CD1-CZ2 4.16Å; L227-W238 HydrophobicContact CD1-CZ3 3.67Å; L227-W238 HydrophobicContact CD2-CE3 4.22Å; L227-W238 HydrophobicContact CD2-CH2 4.28Å; L227-W238 HydrophobicContact CD2-CZ3 3.78Å; L227-W238 HydrophobicContact CG-CE3 4.49Å; L227-W238 HydrophobicContact CG-CZ3 4.38Å; L227-R239 HydrophobicContact CB-CG 3.93Å; L227-R239 HydrophobicContact CD1-CG 4.22Å; L227-L242 HydrophobicContact CD1-CD1 3.67Å
228S94.6Very high95.5Very high64 Ų6443.2 Ų43.245%0.44824%0.239SC..THydrogen-bonded Turntrans-62.9-23.8-169.466.30000115.4D224 Q225D224-S228 PolarHBondContact O-N 2.96Å; D224-S228 VanDerWaalsContact O-N 3.14Å; Q225-S228 VanDerWaalsContact O-CB 3.29Å; Q225-S228 WeakPolarHBondContact O-CB 3.44Å; Q225-S228 PolarHBondContact O-N 3.07Å; Q225-S228 VanDerWaalsContact O-N 3.13Å; Q225-S228 PolarHBondContact O-OG 2.76Å
229S93.5Very high95.5Very high62 Ų6244.1 Ų44.143%0.43424%0.239SC..THydrogen-bonded Turntrans-91.41-179.462.10000114.6K171 R178 L227K171-S229 PolarHBondContact NZ-O 3.47Å; R178-S229 VanDerWaalsContact CD-OG 3.28Å; R178-S229 WeakPolarHBondContact CD-OG 3.41Å; R178-S229 PolarHBondContact NH1-OG 3.45Å; L227-S229 PolarHBondContact O-N 3.27Å; L227-S229 VanDerWaalsContact O-N 3.12Å
230L94.3Very high95.4Very high6 Ų645.5 Ų45.53%0.03125%0.245CC..SBendtrans-90.9160.4177.5-63.3173.5000111.1K171 R178 L179 L227 P232 Y234 V235K171-L230 HydrophobicContact CG-CD2 4.18Å; R178-L230 HydrophobicContact CB-CD1 4.26Å; L179-L230 HydrophobicContact CD1-CD1 3.37Å; L227-L230 HydrophobicContact CB-CD1 4.43Å; L227-L230 HydrophobicContact CD2-CD1 3.64Å; L227-L230 WeakPolarHBondContact O-CB 3.42Å; L227-L230 PolarHBondContact O-N 3.15Å; L227-L230 VanDerWaalsContact O-N 3.12Å; L230-P232 WeakPolarHBondContact O-CD 3.43Å; L230-Y234 HydrophobicContact CB-CE2 4.07Å; L230-V235 HydrophobicContact CB-CG1 3.51Å; L230-V235 HydrophobicContact CB-CG2 4.21Å; L230-V235 HydrophobicContact CD1-CG1 3.81Å; L230-V235 HydrophobicContact CG-CG1 4.32Å
231D92.1Very high95.3Very high74 Ų7445.5 Ų45.540%0.39625%0.245SC..  trans-65.5121.8-177.2-167.5-44.3000110.6T233 Y234 V235D231-T233 PolarHBondContact O-N 2.7Å; D231-T233 VanDerWaalsContact OD1-CB 3.3Å; D231-T233 WeakPolarHBondContact OD1-CB 3.43Å; D231-T233 VanDerWaalsContact OD1-CG2 3.26Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.25Å; D231-T233 PolarHBondContact OD1-N 3.18Å; D231-T233 PolarHBondContact OD1-OG1 3.49Å; D231-Y234 HydrophobicContact CB-CD1 3.84Å; D231-Y234 HydrophobicContact CB-CE1 3.32Å; D231-Y234 PolarHBondContact N-OH 3.03Å; D231-Y234 PolarHBondContact O-N 3.43Å; D231-V235 WeakPolarHBondContact O-CG2 3.24Å; D231-V235 PolarHBondContact O-N 3.24Å
232P91.4Very high95.3Very high91 Ų9141.3 Ų41.359%0.59123%0.226SC*.Hα-helixtrans-56-23.5179.9-25.835.1000114.6L230 Y234 G236L230-P232 WeakPolarHBondContact O-CD 3.43Å; P232-Y234 VanDerWaalsContact C-N 3.28Å; P232-Y234 PolarHBondContact O-N 2.92Å; P232-G236 VanDerWaalsContact O-CA 3.25Å; P232-G236 WeakPolarHBondContact O-CA 3.27Å; P232-G236 PolarHBondContact O-N 3.47Å
233T90.4Very high95.2Very high110 Ų11038.1 Ų38.168%0.67521%0.214SC*.Hα-helixtrans-59.6-36.1-179.453.90000113.1D231D231-T233 PolarHBondContact O-N 2.7Å; D231-T233 VanDerWaalsContact OD1-CB 3.3Å; D231-T233 WeakPolarHBondContact OD1-CB 3.43Å; D231-T233 VanDerWaalsContact OD1-CG2 3.26Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.25Å; D231-T233 PolarHBondContact OD1-N 3.18Å; D231-T233 PolarHBondContact OD1-OG1 3.49Å
234Y89.8Confident95.2Very high34 Ų3438.1 Ų38.113%0.13321%0.214CC..Hα-helixtrans-108.1-26179.561.8-106.7000113.9L96 L230 D231 P232L96-Y234 HydrophobicContact CB-CD2 3.83Å; L96-Y234 HydrophobicContact CB-CG 4.43Å; L96-Y234 HydrophobicContact CD1-CD2 3.85Å; L96-Y234 HydrophobicContact CD1-CE2 4.27Å; L96-Y234 WeakPolarHBondContact O-CB 3.31Å; L230-Y234 HydrophobicContact CB-CE2 4.07Å; D231-Y234 HydrophobicContact CB-CD1 3.84Å; D231-Y234 HydrophobicContact CB-CE1 3.32Å; D231-Y234 PolarHBondContact N-OH 3.03Å; D231-Y234 PolarHBondContact O-N 3.43Å; P232-Y234 VanDerWaalsContact C-N 3.28Å; P232-Y234 PolarHBondContact O-N 2.92Å
235V94.6Very high95.2Very high0 Ų037.5 Ų37.50%021%0.211CC..Hα-helixtrans-92.5-15.3177.9-52.20000114.5L96 L230 D231 K237 W238 R239L96-V235 HydrophobicContact CD1-CG1 3.85Å; L230-V235 HydrophobicContact CB-CG1 3.51Å; L230-V235 HydrophobicContact CB-CG2 4.21Å; L230-V235 HydrophobicContact CD1-CG1 3.81Å; L230-V235 HydrophobicContact CG-CG1 4.32Å; D231-V235 WeakPolarHBondContact O-CG2 3.24Å; D231-V235 PolarHBondContact O-N 3.24Å; V235-K237 PolarHBondContact O-N 2.89Å; V235-W238 PolarHBondContact O-N 3.33Å; V235-W238 VanDerWaalsContact O-N 3.12Å; V235-R239 HydrophobicContact CB-CG 4.28Å; V235-R239 HydrophobicContact CG2-CG 4.05Å; V235-R239 PolarHBondContact O-N 3.37Å
236G94.6Very high95.2Very high17 Ų1733.2 Ų33.218%0.17519%0.192CC..Hα-helixtrans-54.6-48.2-165.700000113.7P232 W238 R239 K240P232-G236 VanDerWaalsContact O-CA 3.25Å; P232-G236 WeakPolarHBondContact O-CA 3.27Å; P232-G236 PolarHBondContact O-N 3.47Å; G236-W238 PolarHBondContact O-N 3.15Å; G236-R239 PolarHBondContact O-N 3.08Å; G236-K240 WeakPolarHBondContact O-CG 3.36Å; G236-K240 PolarHBondContact O-N 3.49Å
237K94.8Very high95.2Very high4 Ų432.3 Ų32.32%0.01719%0.187CC..Hα-helixtrans-63-42.6179.8-166.9176.1-173.3-179.60112.4V235 K240 Y241 Y291 T294 G298 T300V235-K237 PolarHBondContact O-N 2.89Å; K237-K240 PolarHBondContact O-N 3.1Å; K237-Y241 PolarHBondContact O-N 3.46Å; K237-Y241 VanDerWaalsContact O-N 3.17Å; K237-Y291 HydrophobicContact CD-CE2 4.49Å; K237-Y291 HydrophobicContact CG-CD2 4.07Å; K237-Y291 HydrophobicContact CG-CE2 3.69Å; K237-Y291 WeakPolarHBondContact O-CD2 3.27Å; K237-T294 HydrophobicContact CB-CG2 3.9Å; K237-T294 WeakPolarHBondContact CD-O 3.29Å; K237-T294 HydrophobicContact CG-CG2 4.46Å; K237-G298 PolarHBondContact NZ-O 2.69Å; K237-T300 PolarHBondContact NZ-OG1 3.48Å
238W96.6Very high95.3Very high1 Ų132.4 Ų32.40%0.00419%0.188CC..Hα-helixtrans-64.8-44.7178.1-175.518000111.2H6 L96 L179 Y183 Q186 L227 V235 G236 K240 Y241 L242H6-W238 AromaticContact CD2-CD1 3.73Å; L96-W238 HydrophobicContact CD1-CE3 3.93Å; L96-W238 HydrophobicContact CD1-CZ3 4.1Å; L96-W238 HydrophobicContact CD2-CE3 4.14Å; L179-W238 HydrophobicContact CG-CZ3 4.33Å; Y183-W238 HydrophobicContact CD1-CH2 4.46Å; Y183-W238 HydrophobicContact CD1-CZ2 4.41Å; Y183-W238 AromaticContact CD2-CH2 3.76Å; Y183-W238 HydrophobicContact CD2-CH2 3.76Å; Y183-W238 HydrophobicContact CD2-CZ2 4.47Å; Y183-W238 HydrophobicContact CE1-CH2 4.39Å; Y183-W238 HydrophobicContact CE1-CZ2 4.39Å; Y183-W238 AromaticContact CE2-CH2 3.67Å; Y183-W238 HydrophobicContact CE2-CH2 3.67Å; Y183-W238 HydrophobicContact CE2-CZ2 4.44Å; Y183-W238 HydrophobicContact CE2-CZ3 4.12Å; Y183-W238 HydrophobicContact CG-CH2 4.16Å; Y183-W238 HydrophobicContact CG-CZ2 4.45Å; Q186-W238 VanDerWaalsContact OE1-CE2 3.28Å; L227-W238 HydrophobicContact CD1-CD2 3.57Å; L227-W238 HydrophobicContact CD1-CE3 3.42Å; L227-W238 VanDerWaalsContact CD1-CE3 3.42Å; L227-W238 HydrophobicContact CD1-CG 4.23Å; L227-W238 HydrophobicContact CD1-CH2 4.05Å; L227-W238 HydrophobicContact CD1-CZ2 4.16Å; L227-W238 HydrophobicContact CD1-CZ3 3.67Å; L227-W238 HydrophobicContact CD2-CE3 4.22Å; L227-W238 HydrophobicContact CD2-CH2 4.28Å; L227-W238 HydrophobicContact CD2-CZ3 3.78Å; L227-W238 HydrophobicContact CG-CE3 4.49Å; L227-W238 HydrophobicContact CG-CZ3 4.38Å; V235-W238 PolarHBondContact O-N 3.33Å; V235-W238 VanDerWaalsContact O-N 3.12Å; G236-W238 PolarHBondContact O-N 3.15Å; W238-K240 VanDerWaalsContact C-N 3.31Å; W238-K240 PolarHBondContact O-N 3.21Å; W238-Y241 WeakPolarHBondContact O-CB 3.32Å; W238-Y241 PolarHBondContact O-N 2.85Å; W238-Y241 VanDerWaalsContact O-N 3.1Å; W238-L242 WeakPolarHBondContact O-CG 3.38Å; W238-L242 PolarHBondContact O-N 3.32Å
239R97.1Very high95.4Very high61 Ų6129.7 Ų29.723%0.2317%0.168CC..Hα-helixtrans-60.1-37.6174.5-71.9-167.366.3-156.9-3.7113D224 L227 V235 G236 Y241 L242 N243D224-R239 WeakPolarHBondContact OD1-CB 3.48Å; D224-R239 VanDerWaalsContact OD1-CG 3.3Å; D224-R239 WeakPolarHBondContact OD1-CG 3.36Å; D224-R239 IonicContact OD1-CZ 2.91Å; D224-R239 IonicContact OD1-NE 3.92Å; D224-R239 PolarHBondContact OD1-NE 3.44Å; D224-R239 IonicContact OD1-NH2 2.65Å; D224-R239 PolarHBondContact OD1-NH2 2.76Å; D224-R239 IonicContact OD2-CZ 3.28Å; D224-R239 IonicContact OD2-NE 3.92Å; D224-R239 IonicContact OD2-NH2 2.71Å; D224-R239 PolarHBondContact OD2-NH2 2.98Å; L227-R239 HydrophobicContact CB-CG 3.93Å; L227-R239 HydrophobicContact CD1-CG 4.22Å; V235-R239 HydrophobicContact CB-CG 4.28Å; V235-R239 HydrophobicContact CG2-CG 4.05Å; V235-R239 PolarHBondContact O-N 3.37Å; G236-R239 PolarHBondContact O-N 3.08Å; R239-Y241 VanDerWaalsContact C-N 3.34Å; R239-Y241 PolarHBondContact O-N 2.99Å; R239-L242 PolarHBondContact O-N 2.94Å; R239-N243 WeakPolarHBondContact O-CB 3.49Å; R239-N243 PolarHBondContact O-N 3.36Å; R239-N243 PolarHBondContact O-ND2 3.08Å
240K96Very high95.7Very high66 Ų6627.6 Ų27.629%0.28715%0.151SC..Hα-helixtrans-62.3-40.6173.5-68.7-64.4-179.6-179.30112.1G236 K237 W238 L244 L287 E290 Y291G236-K240 WeakPolarHBondContact O-CG 3.36Å; G236-K240 PolarHBondContact O-N 3.49Å; K237-K240 PolarHBondContact O-N 3.1Å; W238-K240 VanDerWaalsContact C-N 3.31Å; W238-K240 PolarHBondContact O-N 3.21Å; K240-L244 VanDerWaalsContact O-CB 3.23Å; K240-L244 WeakPolarHBondContact O-CB 3.37Å; K240-L244 PolarHBondContact O-N 3.47Å; K240-L287 HydrophobicContact CD-CD2 4.22Å; K240-E290 HydrophobicContact CD-CB 4.28Å; K240-E290 WeakPolarHBondContact CE-OE2 3.43Å; K240-E290 IonicContact NZ-OE2 2.89Å; K240-E290 PolarHBondContact NZ-OE2 2.94Å; K240-Y291 HydrophobicContact CB-CD2 4.21Å
241Y96.8Very high95.8Very high0 Ų027.3 Ų27.30%015%0.15CC..Hα-helixtrans-60.9-47.2173.1164-103.2000112.2W4 F5 H6 E190 Y220 K237 W238 R239 L244 K245W4-Y241 HydrophobicContact CE3-CD2 4.36Å; W4-Y241 HydrophobicContact CE3-CE2 4.2Å; W4-Y241 AromaticContact CH2-CD2 3.7Å; W4-Y241 HydrophobicContact CH2-CD2 3.7Å; W4-Y241 HydrophobicContact CH2-CE2 4.29Å; W4-Y241 HydrophobicContact CZ2-CD2 4.42Å; W4-Y241 AromaticContact CZ3-CD2 3.66Å; W4-Y241 HydrophobicContact CZ3-CD2 3.66Å; W4-Y241 AromaticContact CZ3-CE2 3.95Å; W4-Y241 HydrophobicContact CZ3-CE2 3.95Å; F5-Y241 WeakPolarHBondContact CA-OH 3.04Å; H6-Y241 HydrophobicContact CB-CD1 3.65Å; H6-Y241 HydrophobicContact CB-CD2 3.44Å; H6-Y241 VanDerWaalsContact CB-CD2 3.44Å; H6-Y241 HydrophobicContact CB-CE1 3.92Å; H6-Y241 HydrophobicContact CB-CE2 3.73Å; H6-Y241 HydrophobicContact CB-CG 3.37Å; E190-Y241 PolarHBondContact OE1-OH 3.24Å; Y220-Y241 HydrophobicContact CE1-CE1 4.17Å; K237-Y241 PolarHBondContact O-N 3.46Å; K237-Y241 VanDerWaalsContact O-N 3.17Å; W238-Y241 WeakPolarHBondContact O-CB 3.32Å; W238-Y241 PolarHBondContact O-N 2.85Å; W238-Y241 VanDerWaalsContact O-N 3.1Å; R239-Y241 VanDerWaalsContact C-N 3.34Å; R239-Y241 PolarHBondContact O-N 2.99Å; Y241-L244 WeakPolarHBondContact O-CB 3.32Å; Y241-L244 PolarHBondContact O-N 3.49Å; Y241-K245 HydrophobicContact CD2-CG 4.12Å; Y241-K245 HydrophobicContact CE1-CG 4.48Å; Y241-K245 HydrophobicContact CE2-CD 4.24Å; Y241-K245 VanDerWaalsContact CE2-CE 3.46Å; Y241-K245 HydrophobicContact CE2-CG 3.71Å; Y241-K245 WeakPolarHBondContact O-CG 3.45Å; Y241-K245 PolarHBondContact O-N 3.45Å
242L98.1Very high96Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-62.9-46.9-179.7-62.3172000111.1Y220 A223 D224 L227 W238 R239 L244 K245 T246Y220-L242 HydrophobicContact CD1-CD2 3.75Å; Y220-L242 HydrophobicContact CE1-CD2 4.24Å; A223-L242 HydrophobicContact CB-CD1 3.94Å; A223-L242 HydrophobicContact CB-CD2 4.03Å; D224-L242 HydrophobicContact CB-CB 4Å; D224-L242 HydrophobicContact CB-CD1 4.38Å; L227-L242 HydrophobicContact CD1-CD1 3.67Å; W238-L242 WeakPolarHBondContact O-CG 3.38Å; W238-L242 PolarHBondContact O-N 3.32Å; R239-L242 PolarHBondContact O-N 2.94Å; L242-L244 PolarHBondContact O-N 3.34Å; L242-K245 PolarHBondContact O-N 3.42Å; L242-T246 PolarHBondContact O-N 3.37Å; L242-T246 PolarHBondContact O-OG1 3.44Å
243N97.7Very high96.4Very high52 Ų5219.9 Ų19.928%0.27810%0.104SC..Hα-helixtrans-60.9-42.6176-80.9-73.3000112.6D224 R239 K245 T246 C247 L287D224-N243 PolarHBondContact OD1-ND2 3.27Å; D224-N243 PolarHBondContact OD2-ND2 3.49Å; R239-N243 WeakPolarHBondContact O-CB 3.49Å; R239-N243 PolarHBondContact O-N 3.36Å; R239-N243 PolarHBondContact O-ND2 3.08Å; N243-K245 VanDerWaalsContact C-N 3.33Å; N243-K245 PolarHBondContact O-N 3.32Å; N243-T246 WeakPolarHBondContact O-CB 3.09Å; N243-T246 PolarHBondContact O-N 2.92Å; N243-C247 PolarHBondContact O-N 3.22Å; N243-L287 HydrophobicContact CB-CD1 4.16Å; N243-L287 HydrophobicContact CB-CD2 4.35Å
244L96.7Very high96.7Very high0 Ų015.8 Ų15.80%08%0.077CC..Hα-helixtrans-55.6-51.4174.9177.5172.1000110W4 K240 Y241 L242 T246 C247 F248 L287 C288 P303W4-L244 HydrophobicContact CH2-CD1 4.49Å; W4-L244 HydrophobicContact CZ3-CD1 4.04Å; K240-L244 VanDerWaalsContact O-CB 3.23Å; K240-L244 WeakPolarHBondContact O-CB 3.37Å; K240-L244 PolarHBondContact O-N 3.47Å; Y241-L244 WeakPolarHBondContact O-CB 3.32Å; Y241-L244 PolarHBondContact O-N 3.49Å; L242-L244 PolarHBondContact O-N 3.34Å; L244-T246 PolarHBondContact O-N 3.49Å; L244-C247 PolarHBondContact O-N 3.25Å; L244-F248 HydrophobicContact CD2-CB 4.5Å; L244-F248 VanDerWaalsContact O-CB 3.3Å; L244-F248 WeakPolarHBondContact O-CB 3.26Å; L244-F248 PolarHBondContact O-N 2.65Å; L244-L287 HydrophobicContact CB-CB 3.97Å; L244-L287 HydrophobicContact CG-CB 4.42Å; L244-C288 HydrophobicContact CD1-CB 4.28Å; L244-C288 VanDerWaalsContact CD1-SG 3.5Å; L244-P303 HydrophobicContact CD1-CG 3.82Å
245K97.8Very high97.1Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-65-38.1-179.4-73.2-73-166.4159.60112.2W4 E193 Y220 Y241 L242 N243 F248 Y249W4-K245 VanDerWaalsContact O-CE 3.27Å; W4-K245 WeakPolarHBondContact O-CE 3.4Å; W4-K245 PolarHBondContact O-NZ 2.92Å; E193-K245 WeakPolarHBondContact OE1-CD 3.3Å; E193-K245 WeakPolarHBondContact OE1-CE 3.49Å; E193-K245 IonicContact OE1-NZ 3.81Å; E193-K245 PolarHBondContact OE1-NZ 3.15Å; E193-K245 IonicContact OE2-NZ 3.61Å; E193-K245 PolarHBondContact OE2-NZ 2.96Å; Y220-K245 HydrophobicContact CD1-CB 3.77Å; Y220-K245 HydrophobicContact CD1-CG 4.4Å; Y220-K245 HydrophobicContact CD2-CB 3.52Å; Y220-K245 HydrophobicContact CD2-CG 4.49Å; Y220-K245 HydrophobicContact CE1-CB 3.86Å; Y220-K245 HydrophobicContact CE1-CG 4.03Å; Y220-K245 HydrophobicContact CE2-CB 3.59Å; Y220-K245 HydrophobicContact CE2-CD 4.19Å; Y220-K245 HydrophobicContact CE2-CG 4.09Å; Y220-K245 HydrophobicContact CG-CB 3.6Å; Y241-K245 HydrophobicContact CD2-CG 4.12Å; Y241-K245 HydrophobicContact CE1-CG 4.48Å; Y241-K245 HydrophobicContact CE2-CD 4.24Å; Y241-K245 VanDerWaalsContact CE2-CE 3.46Å; Y241-K245 HydrophobicContact CE2-CG 3.71Å; Y241-K245 WeakPolarHBondContact O-CG 3.45Å; Y241-K245 PolarHBondContact O-N 3.45Å; L242-K245 PolarHBondContact O-N 3.42Å; N243-K245 VanDerWaalsContact C-N 3.33Å; N243-K245 PolarHBondContact O-N 3.32Å; K245-F248 PolarHBondContact O-N 2.73Å; K245-Y249 HydrophobicContact CD-CD2 4.5Å; K245-Y249 HydrophobicContact CD-CE2 4.13Å; K245-Y249 WeakPolarHBondContact O-CD2 3.44Å; K245-Y249 PolarHBondContact O-N 3.47Å
246T98.5Very high97.2Very high19 Ų1915.1 Ų15.112%0.1177%0.074CC..Hα-helixtrans-56.1-54171.4-63.50000111.2A217 Y220 Q221 L242 N243 L244 F248 Y249 M250A217-T246 PolarHBondContact O-OG1 2.79Å; Y220-T246 VanDerWaalsContact C-OG1 3.32Å; Y220-T246 VanDerWaalsContact CB-OG1 3.26Å; Y220-T246 WeakPolarHBondContact CB-OG1 2.98Å; Q221-T246 WeakPolarHBondContact CA-OG1 3.33Å; Q221-T246 HydrophobicContact CB-CG2 3.93Å; Q221-T246 HydrophobicContact CG-CG2 4.44Å; Q221-T246 PolarHBondContact N-OG1 3.02Å; L242-T246 PolarHBondContact O-N 3.37Å; L242-T246 PolarHBondContact O-OG1 3.44Å; N243-T246 WeakPolarHBondContact O-CB 3.09Å; N243-T246 PolarHBondContact O-N 2.92Å; L244-T246 PolarHBondContact O-N 3.49Å; T246-F248 VanDerWaalsContact C-N 3.33Å; T246-F248 PolarHBondContact O-N 2.73Å; T246-Y249 PolarHBondContact O-N 3.2Å; T246-M250 WeakPolarHBondContact O-CB 3.47Å; T246-M250 PolarHBondContact O-N 2.96Å
247C98Very high97.4Very high18 Ų1815.8 Ų15.812%0.1227%0.073CC..Hα-helixtrans-62.6-40.7179.1-70.40000112.2N243 L244 M250 A251 F280 A284 L287N243-C247 PolarHBondContact O-N 3.22Å; L244-C247 PolarHBondContact O-N 3.25Å; C247-M250 PolarHBondContact O-N 3.45Å; C247-A251 PolarHBondContact O-N 3.23Å; C247-F280 HydrophobicContact CB-CD1 4.38Å; C247-A284 HydrophobicContact CB-CB 3.87Å; C247-L287 HydrophobicContact CB-CD1 4.37Å
248F97.5Very high97.5Very high2 Ų215.6 Ų15.61%0.0097%0.072CC..Hα-helixtrans-63-47.3-179.8-175.4-99.1000112.5L244 K245 T246 M250 A251 Y252 F281 A284 F308 F309 L312L244-F248 HydrophobicContact CD2-CB 4.5Å; L244-F248 VanDerWaalsContact O-CB 3.3Å; L244-F248 WeakPolarHBondContact O-CB 3.26Å; L244-F248 PolarHBondContact O-N 2.65Å; K245-F248 PolarHBondContact O-N 2.73Å; T246-F248 VanDerWaalsContact C-N 3.33Å; T246-F248 PolarHBondContact O-N 2.73Å; F248-M250 VanDerWaalsContact C-N 3.3Å; F248-M250 PolarHBondContact O-N 2.9Å; F248-A251 WeakPolarHBondContact O-CB 3.29Å; F248-A251 PolarHBondContact O-N 3Å; F248-Y252 HydrophobicContact CD1-CD2 4.17Å; F248-Y252 HydrophobicContact CD1-CE2 4.35Å; F248-Y252 AromaticContact CE1-CD2 3.73Å; F248-Y252 HydrophobicContact CE1-CD2 3.73Å; F248-Y252 AromaticContact CE1-CE2 3.46Å; F248-Y252 HydrophobicContact CE1-CE2 3.46Å; F248-Y252 VanDerWaalsContact CE1-CE2 3.46Å; F248-Y252 HydrophobicContact CZ-CD2 4.15Å; F248-Y252 AromaticContact CZ-CE2 3.63Å; F248-Y252 HydrophobicContact CZ-CE2 3.63Å; F248-Y252 PolarHBondContact O-N 2.87Å; F248-Y252 VanDerWaalsContact O-N 3.12Å; F248-F281 HydrophobicContact CE2-CE2 4.3Å; F248-A284 HydrophobicContact CB-CB 4.24Å; F248-F308 HydrophobicContact CD1-CE2 4.43Å; F248-F308 HydrophobicContact CD2-CE2 4.48Å; F248-F308 AromaticContact CE1-CD2 3.78Å; F248-F308 HydrophobicContact CE1-CD2 3.78Å; F248-F308 HydrophobicContact CE1-CE2 4.02Å; F248-F308 HydrophobicContact CE2-CD2 4.13Å; F248-F308 HydrophobicContact CE2-CE2 4.09Å; F248-F308 AromaticContact CZ-CD2 3.51Å; F248-F308 HydrophobicContact CZ-CD2 3.51Å; F248-F308 AromaticContact CZ-CE2 3.84Å; F248-F308 HydrophobicContact CZ-CE2 3.84Å; F248-F309 AromaticContact CD2-CD2 3.74Å; F248-F309 HydrophobicContact CD2-CD2 3.74Å; F248-F309 AromaticContact CD2-CE2 3.79Å; F248-F309 HydrophobicContact CD2-CE2 3.79Å; F248-F309 HydrophobicContact CE2-CB 4.49Å; F248-F309 AromaticContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CE2 4.16Å; F248-F309 HydrophobicContact CE2-CG 4.25Å; F248-L312 HydrophobicContact CD1-CD2 4.47Å; F248-L312 HydrophobicContact CD2-CD2 3.67Å; F248-L312 HydrophobicContact CE1-CD2 4.21Å; F248-L312 HydrophobicContact CE2-CB 3.89Å; F248-L312 HydrophobicContact CE2-CD2 3.34Å; F248-L312 HydrophobicContact CE2-CG 4.24Å; F248-L312 HydrophobicContact CG-CD2 4.23Å; F248-L312 HydrophobicContact CZ-CB 3.91Å; F248-L312 HydrophobicContact CZ-CD2 3.64Å; F248-L312 HydrophobicContact CZ-CG 4.43Å
249Y97.9Very high97.5Very high7 Ų717.8 Ų17.83%0.0278%0.082CC..Hα-helixtrans-73.6-23.8178-82.5-75.1000113.1E193 I196 A213 T216 Y220 K245 T246 Y252 A253E193-Y249 VanDerWaalsContact CB-OH 3.25Å; E193-Y249 WeakPolarHBondContact CB-OH 3.41Å; E193-Y249 VanDerWaalsContact CD-CZ 3.43Å; E193-Y249 HydrophobicContact CG-CE1 4.24Å; E193-Y249 HydrophobicContact CG-CE2 3.58Å; E193-Y249 WeakPolarHBondContact CG-OH 3.42Å; E193-Y249 VanDerWaalsContact OE1-CE2 3.25Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.27Å; E193-Y249 PolarHBondContact OE2-OH 3.29Å; I196-Y249 HydrophobicContact CD1-CD1 3.8Å; I196-Y249 HydrophobicContact CD1-CE1 3.65Å; A213-Y249 HydrophobicContact CB-CD1 4.37Å; T216-Y249 HydrophobicContact CG2-CD1 3.85Å; T216-Y249 HydrophobicContact CG2-CD2 3.8Å; T216-Y249 HydrophobicContact CG2-CE1 4.22Å; T216-Y249 HydrophobicContact CG2-CE2 4.18Å; T216-Y249 HydrophobicContact CG2-CG 3.65Å; Y220-Y249 HydrophobicContact CD2-CD2 4.23Å; Y220-Y249 AromaticContact CE2-CD2 3.96Å; Y220-Y249 HydrophobicContact CE2-CD2 3.96Å; Y220-Y249 HydrophobicContact CE2-CE2 4.17Å; K245-Y249 HydrophobicContact CD-CD2 4.5Å; K245-Y249 HydrophobicContact CD-CE2 4.13Å; K245-Y249 WeakPolarHBondContact O-CD2 3.44Å; K245-Y249 PolarHBondContact O-N 3.47Å; T246-Y249 PolarHBondContact O-N 3.2Å; Y249-Y252 HydrophobicContact CD1-CD2 4.38Å; Y249-Y252 HydrophobicContact CE1-CD2 4.33Å; Y249-Y252 WeakPolarHBondContact O-CB 3.09Å; Y249-Y252 PolarHBondContact O-N 2.94Å; Y249-A253 PolarHBondContact O-N 2.91Å
250M98.1Very high97.4Very high17 Ų1716.7 Ų16.78%0.0848%0.082CC..Hα-helixtrans-70.1-38.4169.7-157.142.537.900113.1Y214 A217 T246 C247 F248 Y252 A253 Y254 F280 L342Y214-M250 HydrophobicContact CD2-CE 3.4Å; Y214-M250 VanDerWaalsContact CD2-CE 3.4Å; Y214-M250 HydrophobicContact CD2-SD 3.73Å; Y214-M250 HydrophobicContact CE2-CE 3.92Å; Y214-M250 HydrophobicContact CE2-SD 4.04Å; Y214-M250 HydrophobicContact CG-CE 4.28Å; A217-M250 HydrophobicContact CB-CB 4.4Å; A217-M250 HydrophobicContact CB-CE 3.21Å; T246-M250 WeakPolarHBondContact O-CB 3.47Å; T246-M250 PolarHBondContact O-N 2.96Å; C247-M250 PolarHBondContact O-N 3.45Å; F248-M250 VanDerWaalsContact C-N 3.3Å; F248-M250 PolarHBondContact O-N 2.9Å; M250-Y252 VanDerWaalsContact C-N 3.32Å; M250-Y252 PolarHBondContact O-N 3.46Å; M250-A253 HydrophobicContact CE-CB 4.13Å; M250-A253 PolarHBondContact O-N 3.4Å; M250-A253 HydrophobicContact SD-CB 4.05Å; M250-Y254 HydrophobicContact CG-CD2 3.99Å; M250-Y254 HydrophobicContact CG-CE2 3.83Å; M250-Y254 VanDerWaalsContact O-CD2 3.31Å; M250-Y254 WeakPolarHBondContact O-CD2 3.41Å; M250-Y254 PolarHBondContact O-N 2.91Å; M250-Y254 HydrophobicContact SD-CD2 4.08Å; M250-Y254 HydrophobicContact SD-CE2 3.84Å; M250-F280 HydrophobicContact CB-CD1 3.95Å; M250-F280 HydrophobicContact CB-CD2 4.47Å; M250-F280 HydrophobicContact CB-CE1 4.18Å; M250-F280 HydrophobicContact CB-CG 4.1Å; M250-F280 HydrophobicContact CG-CD1 4.07Å; M250-F280 HydrophobicContact CG-CD2 4.03Å; M250-F280 HydrophobicContact CG-CE1 3.89Å; M250-F280 HydrophobicContact CG-CE2 3.87Å; M250-F280 HydrophobicContact CG-CG 4.13Å; M250-F280 HydrophobicContact CG-CZ 3.79Å; M250-L342 HydrophobicContact SD-CD1 3.74Å
251A97.9Very high97.5Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-59.4-43.6169.100000111.4C247 F248 A253 C255 S277 F280 F281 L312 I316C247-A251 PolarHBondContact O-N 3.23Å; F248-A251 WeakPolarHBondContact O-CB 3.29Å; F248-A251 PolarHBondContact O-N 3Å; A251-A253 PolarHBondContact O-N 2.95Å; A251-C255 VanDerWaalsContact O-CB 3.31Å; A251-C255 WeakPolarHBondContact O-CB 3.42Å; A251-C255 PolarHBondContact O-N 3.39Å; A251-S277 WeakPolarHBondContact CB-O 3.43Å; A251-S277 PolarHBondContact O-OG 2.86Å; A251-F280 HydrophobicContact CB-CB 3.91Å; A251-F281 HydrophobicContact CB-CB 4.08Å; A251-L312 HydrophobicContact CB-CD2 4.05Å; A251-I316 HydrophobicContact CB-CD1 4.15Å
252Y96.6Very high97.4Very high9 Ų914.8 Ų14.84%0.0358%0.075CC..Hα-helixtrans-57.1-47.8172.8-102.9-75.5000112.6I200 F248 Y249 M250 C255 Y256 L312 L315I200-Y252 HydrophobicContact CD1-CE1 4.06Å; F248-Y252 HydrophobicContact CD1-CD2 4.17Å; F248-Y252 HydrophobicContact CD1-CE2 4.35Å; F248-Y252 AromaticContact CE1-CD2 3.73Å; F248-Y252 HydrophobicContact CE1-CD2 3.73Å; F248-Y252 AromaticContact CE1-CE2 3.46Å; F248-Y252 HydrophobicContact CE1-CE2 3.46Å; F248-Y252 VanDerWaalsContact CE1-CE2 3.46Å; F248-Y252 HydrophobicContact CZ-CD2 4.15Å; F248-Y252 AromaticContact CZ-CE2 3.63Å; F248-Y252 HydrophobicContact CZ-CE2 3.63Å; F248-Y252 PolarHBondContact O-N 2.87Å; F248-Y252 VanDerWaalsContact O-N 3.12Å; Y249-Y252 HydrophobicContact CD1-CD2 4.38Å; Y249-Y252 HydrophobicContact CE1-CD2 4.33Å; Y249-Y252 WeakPolarHBondContact O-CB 3.09Å; Y249-Y252 PolarHBondContact O-N 2.94Å; M250-Y252 VanDerWaalsContact C-N 3.32Å; M250-Y252 PolarHBondContact O-N 3.46Å; Y252-C255 PolarHBondContact O-N 2.96Å; Y252-Y256 AromaticContact CD1-CD2 3.89Å; Y252-Y256 HydrophobicContact CD1-CD2 3.89Å; Y252-Y256 AromaticContact CD1-CE2 3.6Å; Y252-Y256 HydrophobicContact CD1-CE2 3.6Å; Y252-Y256 HydrophobicContact CE1-CD2 4.5Å; Y252-Y256 AromaticContact CE1-CE2 3.76Å; Y252-Y256 HydrophobicContact CE1-CE2 3.76Å; Y252-Y256 WeakPolarHBondContact O-CD2 2.93Å; Y252-Y256 PolarHBondContact O-N 3.19Å; Y252-L312 HydrophobicContact CD1-CD1 3.96Å; Y252-L312 HydrophobicContact CD2-CD1 3.76Å; Y252-L312 HydrophobicContact CD2-CD2 3.5Å; Y252-L312 HydrophobicContact CD2-CG 4.12Å; Y252-L312 HydrophobicContact CE1-CD1 3.96Å; Y252-L312 HydrophobicContact CE2-CB 3.91Å; Y252-L312 HydrophobicContact CE2-CD1 3.75Å; Y252-L312 HydrophobicContact CE2-CD2 3.68Å; Y252-L312 HydrophobicContact CE2-CG 3.97Å; Y252-L312 HydrophobicContact CG-CD1 3.84Å; Y252-L312 HydrophobicContact CG-CD2 4.26Å; Y252-L315 HydrophobicContact CE1-CD2 4.49Å
253A97.9Very high97.2Very high0 Ų018.8 Ų18.80%011%0.108CC..Hα-helixtrans-58.6-51.2-179.100000111.5A213 Y249 M250 A251 C255 Y256 H257 L342A213-A253 HydrophobicContact CB-CB 4.04Å; Y249-A253 PolarHBondContact O-N 2.91Å; M250-A253 HydrophobicContact CE-CB 4.13Å; M250-A253 PolarHBondContact O-N 3.4Å; M250-A253 HydrophobicContact SD-CB 4.05Å; A251-A253 PolarHBondContact O-N 2.95Å; A253-C255 VanDerWaalsContact C-N 3.32Å; A253-C255 PolarHBondContact O-N 2.91Å; A253-Y256 PolarHBondContact O-N 3.06Å; A253-H257 WeakPolarHBondContact O-CB 3.46Å; A253-H257 PolarHBondContact O-N 3.02Å; A253-L342 HydrophobicContact CB-CD1 3.91Å
254Y98.3Very high97.1Very high25 Ų2519.7 Ų19.710%0.09812%0.119CC..Hα-helixtrans-63.3-34.6177-82.9-67.5000113.5M250 G258 S273 E276 F280 P340 L342M250-Y254 HydrophobicContact CG-CD2 3.99Å; M250-Y254 HydrophobicContact CG-CE2 3.83Å; M250-Y254 VanDerWaalsContact O-CD2 3.31Å; M250-Y254 WeakPolarHBondContact O-CD2 3.41Å; M250-Y254 PolarHBondContact O-N 2.91Å; M250-Y254 HydrophobicContact SD-CD2 4.08Å; M250-Y254 HydrophobicContact SD-CE2 3.84Å; Y254-G258 PolarHBondContact O-N 3.32Å; Y254-S273 PolarHBondContact O-OG 3.08Å; Y254-E276 HydrophobicContact CD1-CB 4.14Å; Y254-E276 HydrophobicContact CD2-CB 4.48Å; Y254-E276 HydrophobicContact CD2-CG 4.37Å; Y254-E276 HydrophobicContact CE1-CB 4.25Å; Y254-E276 HydrophobicContact CE1-CG 4.23Å; Y254-E276 HydrophobicContact CE2-CG 4.08Å; Y254-E276 HydrophobicContact CG-CB 4.26Å; Y254-F280 AromaticContact CD2-CD2 3.8Å; Y254-F280 HydrophobicContact CD2-CD2 3.8Å; Y254-F280 AromaticContact CD2-CE2 3.93Å; Y254-F280 HydrophobicContact CD2-CE2 3.93Å; Y254-F280 AromaticContact CE2-CD2 3.8Å; Y254-F280 HydrophobicContact CE2-CD2 3.8Å; Y254-F280 AromaticContact CE2-CE2 3.42Å; Y254-F280 HydrophobicContact CE2-CE2 3.42Å; Y254-F280 VanDerWaalsContact CE2-CE2 3.42Å; Y254-F280 HydrophobicContact CE2-CZ 4.36Å; Y254-P340 HydrophobicContact CD1-CG 4.29Å; Y254-P340 HydrophobicContact CE1-CG 4.02Å; Y254-P340 WeakPolarHBondContact CE1-O 3.27Å; Y254-P340 PolarHBondContact OH-O 2.62Å; Y254-L342 HydrophobicContact CD1-CD1 3.84Å; Y254-L342 HydrophobicContact CD1-CD2 4.19Å; Y254-L342 HydrophobicContact CD1-CG 4.1Å; Y254-L342 HydrophobicContact CD2-CD1 3.87Å; Y254-L342 HydrophobicContact CE1-CD1 3.7Å; Y254-L342 HydrophobicContact CE1-CD2 4Å; Y254-L342 HydrophobicContact CE1-CG 3.6Å; Y254-L342 HydrophobicContact CE2-CD1 3.71Å; Y254-L342 HydrophobicContact CE2-CG 4.32Å; Y254-L342 HydrophobicContact CG-CD1 3.92Å
255C97.8Very high97.1Very high0 Ų024.2 Ų24.20%014%0.143CC..Hα-helixtrans-65.2-51.9178.2-178.20000111.4A251 Y252 A253 G258 Q259 L274 I316A251-C255 VanDerWaalsContact O-CB 3.31Å; A251-C255 WeakPolarHBondContact O-CB 3.42Å; A251-C255 PolarHBondContact O-N 3.39Å; Y252-C255 PolarHBondContact O-N 2.96Å; A253-C255 VanDerWaalsContact C-N 3.32Å; A253-C255 PolarHBondContact O-N 2.91Å; C255-G258 PolarHBondContact O-N 3.08Å; C255-Q259 PolarHBondContact O-N 3.05Å; C255-L274 HydrophobicContact CB-CD2 4.26Å; C255-I316 HydrophobicContact CB-CG1 4.17Å
256Y97.4Very high97Very high19 Ų1928.6 Ų28.68%0.07516%0.162CC..Hα-helixtrans-71.6-31.4179.4-82.7-88.3000112.4I200 P206 I209 Y252 A253 G258 Q259 T260 L315I200-Y256 HydrophobicContact CD1-CE2 4.23Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.03Å; I200-Y256 HydrophobicContact CG1-CE1 4.49Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.44Å; P206-Y256 HydrophobicContact CB-CD1 4.07Å; I209-Y256 HydrophobicContact CB-CD1 3.75Å; I209-Y256 HydrophobicContact CB-CE1 4.11Å; I209-Y256 HydrophobicContact CB-CG 3.99Å; I209-Y256 HydrophobicContact CD1-CD1 3.94Å; I209-Y256 HydrophobicContact CD1-CE1 3.6Å; I209-Y256 HydrophobicContact CG1-CD1 4.46Å; I209-Y256 HydrophobicContact CG1-CE1 4.45Å; I209-Y256 HydrophobicContact CG2-CD1 3.62Å; I209-Y256 HydrophobicContact CG2-CD2 3.67Å; I209-Y256 HydrophobicContact CG2-CE1 3.74Å; I209-Y256 HydrophobicContact CG2-CE2 3.8Å; I209-Y256 HydrophobicContact CG2-CG 3.58Å; Y252-Y256 AromaticContact CD1-CD2 3.89Å; Y252-Y256 HydrophobicContact CD1-CD2 3.89Å; Y252-Y256 AromaticContact CD1-CE2 3.6Å; Y252-Y256 HydrophobicContact CD1-CE2 3.6Å; Y252-Y256 HydrophobicContact CE1-CD2 4.5Å; Y252-Y256 AromaticContact CE1-CE2 3.76Å; Y252-Y256 HydrophobicContact CE1-CE2 3.76Å; Y252-Y256 WeakPolarHBondContact O-CD2 2.93Å; Y252-Y256 PolarHBondContact O-N 3.19Å; A253-Y256 PolarHBondContact O-N 3.06Å; Y256-G258 VanDerWaalsContact C-N 3.33Å; Y256-Q259 WeakPolarHBondContact O-CB 3.39Å; Y256-Q259 PolarHBondContact O-N 3.05Å; Y256-T260 PolarHBondContact O-N 2.79Å; Y256-T260 PolarHBondContact O-OG1 2.92Å; Y256-L315 HydrophobicContact CE2-CD2 3.83Å
257H97.5Very high96.8Very high32 Ų3227.7 Ų27.715%0.14816%0.156CC..Hα-helixtrans-62.9-40.5170.9-174.364.3000111.7A210 A253 Q259 T260 L261 L342A210-H257 HydrophobicContact CB-CB 4.18Å; A253-H257 WeakPolarHBondContact O-CB 3.46Å; A253-H257 PolarHBondContact O-N 3.02Å; H257-Q259 VanDerWaalsContact C-N 3.29Å; H257-Q259 PolarHBondContact O-N 2.82Å; H257-T260 WeakPolarHBondContact O-CB 3.35Å; H257-T260 PolarHBondContact O-N 3.47Å; H257-T260 VanDerWaalsContact O-N 3.1Å; H257-L261 WeakPolarHBondContact O-CG 2.92Å; H257-L261 PolarHBondContact O-N 3.17Å; H257-L342 HydrophobicContact CB-CD2 4.11Å
258G96.7Very high96.8Very high0 Ų026.8 Ų26.80%015%0.151CC..Hα-helixtrans-58.4-39.9172.100000112.5Y254 C255 Y256 L261 L262 A270 S273Y254-G258 PolarHBondContact O-N 3.32Å; C255-G258 PolarHBondContact O-N 3.08Å; Y256-G258 VanDerWaalsContact C-N 3.33Å; G258-L261 PolarHBondContact O-N 3.39Å; G258-L262 WeakPolarHBondContact O-CB 3.3Å; G258-L262 PolarHBondContact O-N 2.82Å; G258-A270 VanDerWaalsContact O-CB 3.24Å; G258-A270 WeakPolarHBondContact O-CB 3.38Å; G258-S273 PolarHBondContact N-OG 2.87Å
259Q96.6Very high96.7Very high47 Ų4730.2 Ų30.222%0.2217%0.167CC..Hα-helixtrans-65.3-38.1173.9-64.7179.210.600112.5P206 C255 Y256 H257 L262 A263 T319P206-Q259 HydrophobicContact CB-CB 4Å; P206-Q259 HydrophobicContact CG-CB 4.31Å; C255-Q259 PolarHBondContact O-N 3.05Å; Y256-Q259 WeakPolarHBondContact O-CB 3.39Å; Y256-Q259 PolarHBondContact O-N 3.05Å; H257-Q259 VanDerWaalsContact C-N 3.29Å; H257-Q259 PolarHBondContact O-N 2.82Å; Q259-L262 PolarHBondContact O-N 3.2Å; Q259-A263 WeakPolarHBondContact O-CB 3.46Å; Q259-A263 PolarHBondContact O-N 2.97Å; Q259-T319 HydrophobicContact CG-CG2 3.71Å
260T96.5Very high96.7Very high37 Ų3729.9 Ų29.923%0.22717%0.165CC..Hα-helixtrans-62.7-44.8173.5-56.50000112.1G207 Y256 H257 A263 S264G207-T260 VanDerWaalsContact CA-OG1 3.31Å; G207-T260 WeakPolarHBondContact CA-OG1 3.36Å; G207-T260 PolarHBondContact N-OG1 2.99Å; Y256-T260 PolarHBondContact O-N 2.79Å; Y256-T260 PolarHBondContact O-OG1 2.92Å; H257-T260 WeakPolarHBondContact O-CB 3.35Å; H257-T260 PolarHBondContact O-N 3.47Å; H257-T260 VanDerWaalsContact O-N 3.1Å; T260-A263 PolarHBondContact O-N 3.11Å; T260-S264 PolarHBondContact O-N 3.36Å; T260-S264 VanDerWaalsContact O-N 3.15Å; T260-S264 PolarHBondContact O-OG 3.31Å
261L96.4Very high96.7Very high13 Ų1329.4 Ų29.47%0.06816%0.163CC..Hα-helixtrans-63.5-43.3177.6-71.3168.7000111.2H257 G258 A263 S264 D265 K266 E269 A270H257-L261 WeakPolarHBondContact O-CG 2.92Å; H257-L261 PolarHBondContact O-N 3.17Å; G258-L261 PolarHBondContact O-N 3.39Å; L261-A263 VanDerWaalsContact C-N 3.34Å; L261-A263 PolarHBondContact O-N 2.76Å; L261-S264 CarbonylContact O-C 3.55Å; L261-S264 WeakPolarHBondContact O-CA 3.15Å; L261-S264 PolarHBondContact O-N 2.72Å; L261-D265 PolarHBondContact O-N 2.87Å; L261-K266 HydrophobicContact CB-CB 4.27Å; L261-K266 HydrophobicContact CD2-CB 4.28Å; L261-K266 HydrophobicContact CD2-CD 3.89Å; L261-K266 WeakPolarHBondContact O-CB 3.48Å; L261-K266 PolarHBondContact O-N 2.92Å; L261-E269 HydrophobicContact CD1-CB 3.9Å; L261-E269 HydrophobicContact CD2-CB 4.31Å; L261-A270 HydrophobicContact CB-CB 3.91Å
262L95.4Very high96.7Very high13 Ų1330.4 Ų30.47%0.06817%0.167CC..Hα-helixtrans-60.1-45175.9-173.466.9000111.5G258 Q259 S264 D265 C267 A270 K322 E326 Y331G258-L262 WeakPolarHBondContact O-CB 3.3Å; G258-L262 PolarHBondContact O-N 2.82Å; Q259-L262 PolarHBondContact O-N 3.2Å; L262-S264 PolarHBondContact O-N 2.62Å; L262-S264 VanDerWaalsContact O-N 3.16Å; L262-D265 PolarHBondContact O-N 3.45Å; L262-C267 HydrophobicContact CD1-CB 4.08Å; L262-C267 WeakPolarHBondContact CD1-SG 3.27Å; L262-A270 HydrophobicContact CB-CB 4.07Å; L262-K322 HydrophobicContact CD2-CD 4.37Å; L262-E326 WeakPolarHBondContact CD1-OE2 3.44Å; L262-Y331 HydrophobicContact CD1-CE2 4.37Å
263A95.1Very high96.7Very high85 Ų8530 Ų3070%0.70217%0.165SC*.Hα-helixtrans-65.5-14.1176.100000113.7Q259 T260 L261Q259-A263 WeakPolarHBondContact O-CB 3.46Å; Q259-A263 PolarHBondContact O-N 2.97Å; T260-A263 PolarHBondContact O-N 3.11Å; L261-A263 VanDerWaalsContact C-N 3.34Å; L261-A263 PolarHBondContact O-N 2.76Å
264S95.4Very high96.7Very high71 Ų7130 Ų3050%0.49717%0.165SC..THydrogen-bonded Turntrans-10218.5174.8-49.50000112T260 L261 L262 K266T260-S264 PolarHBondContact O-N 3.36Å; T260-S264 VanDerWaalsContact O-N 3.15Å; T260-S264 PolarHBondContact O-OG 3.31Å; L261-S264 CarbonylContact O-C 3.55Å; L261-S264 WeakPolarHBondContact O-CA 3.15Å; L261-S264 PolarHBondContact O-N 2.72Å; L262-S264 PolarHBondContact O-N 2.62Å; L262-S264 VanDerWaalsContact O-N 3.16Å; S264-K266 PolarHBondContact O-N 3.25Å; S264-K266 VanDerWaalsContact O-N 3.14Å
265D95.2Very high96.7Very high95 Ų9531.9 Ų31.951%0.50818%0.175SC..THydrogen-bonded Turntrans58.422-177.4-61.9-51.6000114.5L261 L262 C267 Y331 Q333L261-D265 PolarHBondContact O-N 2.87Å; L262-D265 PolarHBondContact O-N 3.45Å; D265-C267 PolarHBondContact O-N 3.38Å; D265-Y331 HydrophobicContact CB-CE1 3.78Å; D265-Y331 VanDerWaalsContact OD1-CE1 3.28Å; D265-Y331 WeakPolarHBondContact OD1-CE1 3.48Å; D265-Y331 PolarHBondContact OD1-OH 2.98Å; D265-Q333 PolarHBondContact O-NE2 3.33Å; D265-Q333 PolarHBondContact O-OE1 2.89Å
266K95.8Very high96.7Very high91 Ų9133.1 Ų33.140%0.39618%0.18SC..  trans-99.659.1176.2-63.9177.6170.4-160.10111L261 S264 G268 E269 A270L261-K266 HydrophobicContact CB-CB 4.27Å; L261-K266 HydrophobicContact CD2-CB 4.28Å; L261-K266 HydrophobicContact CD2-CD 3.89Å; L261-K266 WeakPolarHBondContact O-CB 3.48Å; L261-K266 PolarHBondContact O-N 2.92Å; S264-K266 PolarHBondContact O-N 3.25Å; S264-K266 VanDerWaalsContact O-N 3.14Å; K266-G268 PolarHBondContact O-N 3.2Å; K266-E269 HydrophobicContact CB-CB 4.26Å; K266-E269 HydrophobicContact CB-CG 4.48Å; K266-E269 IonicContact NZ-OE1 3.95Å; K266-E269 IonicContact NZ-OE2 2.79Å; K266-E269 PolarHBondContact O-N 2.88Å; K266-A270 WeakPolarHBondContact O-CB 3.47Å; K266-A270 PolarHBondContact O-N 3.09Å
267C95.8Very high96.7Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-60.4-39.4-174.8-157.30000113.6L262 D265 E269 A270 I271 C323 N327 Y331L262-C267 HydrophobicContact CD1-CB 4.08Å; L262-C267 WeakPolarHBondContact CD1-SG 3.27Å; D265-C267 PolarHBondContact O-N 3.38Å; C267-E269 PolarHBondContact O-N 2.99Å; C267-A270 WeakPolarHBondContact O-CB 3.25Å; C267-A270 PolarHBondContact O-N 2.98Å; C267-I271 WeakPolarHBondContact O-CG1 3.5Å; C267-I271 PolarHBondContact O-N 2.7Å; C267-C323 PolarHBondContact SG-O 2.96Å; C267-N327 HydrophobicContact CB-CB 4.39Å; C267-Y331 HydrophobicContact CB-CD1 4.33Å; C267-Y331 HydrophobicContact CB-CD2 3.4Å; C267-Y331 HydrophobicContact CB-CE2 4Å; C267-Y331 HydrophobicContact CB-CG 3.59Å
268G96.4Very high96.7Very high0 Ų035.7 Ų35.70%019%0.193CC..Hα-helixtrans-62.1-44.1177.400000112.7K266 R272 P336K266-G268 PolarHBondContact O-N 3.2Å; G268-R272 PolarHBondContact O-N 2.97Å; G268-P336 VanDerWaalsContact O-CD 3.27Å; G268-P336 WeakPolarHBondContact O-CD 3.49Å
269E96.7Very high96.7Very high74 Ų7440.3 Ų40.335%0.34621%0.213SC..Hα-helixtrans-66.7-39.1174.5-63.3176.4-139.500111.3L261 K266 C267 I271 R272 S273 P336L261-E269 HydrophobicContact CD1-CB 3.9Å; L261-E269 HydrophobicContact CD2-CB 4.31Å; K266-E269 HydrophobicContact CB-CB 4.26Å; K266-E269 HydrophobicContact CB-CG 4.48Å; K266-E269 IonicContact NZ-OE1 3.95Å; K266-E269 IonicContact NZ-OE2 2.79Å; K266-E269 PolarHBondContact O-N 2.88Å; C267-E269 PolarHBondContact O-N 2.99Å; E269-I271 PolarHBondContact O-N 2.9Å; E269-R272 PolarHBondContact O-N 3.27Å; E269-S273 PolarHBondContact O-N 3.32Å; E269-P336 HydrophobicContact CG-CG 3.96Å
270A97Very high96.7Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-60-44.8176.800000112.4G258 L261 L262 K266 C267 R272 S273 L274G258-A270 VanDerWaalsContact O-CB 3.24Å; G258-A270 WeakPolarHBondContact O-CB 3.38Å; L261-A270 HydrophobicContact CB-CB 3.91Å; L262-A270 HydrophobicContact CB-CB 4.07Å; K266-A270 WeakPolarHBondContact O-CB 3.47Å; K266-A270 PolarHBondContact O-N 3.09Å; C267-A270 WeakPolarHBondContact O-CB 3.25Å; C267-A270 PolarHBondContact O-N 2.98Å; A270-R272 VanDerWaalsContact C-N 3.33Å; A270-R272 PolarHBondContact O-N 3.45Å; A270-S273 WeakPolarHBondContact O-CB 3.3Å; A270-S273 PolarHBondContact O-N 3.38Å; A270-L274 PolarHBondContact O-N 2.8Å
271I97.9Very high96.7Very high6 Ų639.7 Ų39.73%0.03121%0.207CC..Hα-helixtrans-57.9-47.6174.1-69.5169.8000110.1C267 E269 S273 L274 Q275 L320 C323 Q324 N327 V335C267-I271 WeakPolarHBondContact O-CG1 3.5Å; C267-I271 PolarHBondContact O-N 2.7Å; E269-I271 PolarHBondContact O-N 2.9Å; I271-S273 VanDerWaalsContact C-N 3.32Å; I271-S273 PolarHBondContact O-N 3.37Å; I271-L274 PolarHBondContact O-N 3.24Å; I271-Q275 HydrophobicContact CG2-CG 4.41Å; I271-Q275 WeakPolarHBondContact O-CG 3.13Å; I271-Q275 PolarHBondContact O-N 2.83Å; I271-L320 HydrophobicContact CG2-CD1 4.11Å; I271-C323 HydrophobicContact CG1-CB 3.62Å; I271-Q324 HydrophobicContact CD1-CG 4.3Å; I271-Q324 HydrophobicContact CG1-CG 4.42Å; I271-N327 HydrophobicContact CD1-CB 3.54Å; I271-V335 HydrophobicContact CB-CG1 4.41Å; I271-V335 HydrophobicContact CB-CG2 4.19Å; I271-V335 HydrophobicContact CD1-CG2 4.11Å; I271-V335 HydrophobicContact CG2-CG1 4.02Å; I271-V335 HydrophobicContact CG2-CG2 3.95Å
272R97.9Very high96.8Very high21 Ų2141.6 Ų41.68%0.07923%0.225CC..Hα-helixtrans-65.5-36.5-178-176.157.4-171.591.3-1.8112.6G268 E269 A270 E276 V335 P336 A337 E338G268-R272 PolarHBondContact O-N 2.97Å; E269-R272 PolarHBondContact O-N 3.27Å; A270-R272 VanDerWaalsContact C-N 3.33Å; A270-R272 PolarHBondContact O-N 3.45Å; R272-E276 IonicContact CZ-OE2 3.51Å; R272-E276 VanDerWaalsContact CZ-OE2 3.28Å; R272-E276 IonicContact NH1-OE2 3.75Å; R272-E276 PolarHBondContact NH1-OE2 3.37Å; R272-E276 IonicContact NH2-OE2 2.76Å; R272-E276 PolarHBondContact NH2-OE2 2.94Å; R272-E276 PolarHBondContact O-N 3.33Å; R272-E276 VanDerWaalsContact O-N 3.17Å; R272-V335 HydrophobicContact CB-CG1 3.86Å; R272-P336 WeakPolarHBondContact CD-O 3.42Å; R272-P336 HydrophobicContact CG-CB 4.41Å; R272-P336 WeakPolarHBondContact CG-O 3.43Å; R272-A337 PolarHBondContact NE-O 3.1Å; R272-E338 WeakPolarHBondContact CG-O 3.29Å
273S97.4Very high96.8Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-60.6-47172.4-168.80000111.3Y254 G258 E269 A270 I271 E276 S277Y254-S273 PolarHBondContact O-OG 3.08Å; G258-S273 PolarHBondContact N-OG 2.87Å; E269-S273 PolarHBondContact O-N 3.32Å; A270-S273 WeakPolarHBondContact O-CB 3.3Å; A270-S273 PolarHBondContact O-N 3.38Å; I271-S273 VanDerWaalsContact C-N 3.32Å; I271-S273 PolarHBondContact O-N 3.37Å; S273-E276 WeakPolarHBondContact O-CB 3.45Å; S273-E276 PolarHBondContact O-N 3.37Å; S273-E276 VanDerWaalsContact O-N 3.14Å; S273-S277 PolarHBondContact O-N 3.01Å
274L97.4Very high96.8Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-69.1-33.4179.8-75.6158.1000113.4C255 A270 I271 E276 S277 E278 T319 L320 C323C255-L274 HydrophobicContact CB-CD2 4.26Å; A270-L274 PolarHBondContact O-N 2.8Å; I271-L274 PolarHBondContact O-N 3.24Å; L274-E276 VanDerWaalsContact C-N 3.28Å; L274-E276 PolarHBondContact O-N 2.96Å; L274-S277 VanDerWaalsContact O-CB 3.3Å; L274-S277 WeakPolarHBondContact O-CB 3.41Å; L274-S277 PolarHBondContact O-N 3.47Å; L274-E278 PolarHBondContact O-N 2.95Å; L274-T319 HydrophobicContact CD1-CG2 3.67Å; L274-T319 HydrophobicContact CD2-CG2 3.9Å; L274-T319 HydrophobicContact CG-CG2 4.43Å; L274-L320 HydrophobicContact CB-CB 4.14Å; L274-L320 HydrophobicContact CB-CD1 3.78Å; L274-L320 HydrophobicContact CB-CG 4.47Å; L274-L320 HydrophobicContact CD1-CB 4.49Å; L274-C323 HydrophobicContact CD1-CB 4.24Å; L274-C323 WeakPolarHBondContact CD1-SG 3.46Å
275Q97.6Very high96.8Very high65 Ų6542.9 Ų42.930%0.30421%0.206SC..Hα-helixtrans-62-36.9169.6-73173.2-18.700111.9I271 K279 L320I271-Q275 HydrophobicContact CG2-CG 4.41Å; I271-Q275 WeakPolarHBondContact O-CG 3.13Å; I271-Q275 PolarHBondContact O-N 2.83Å; Q275-K279 WeakPolarHBondContact O-CG 3.48Å; Q275-K279 PolarHBondContact O-N 3.38Å; Q275-L320 HydrophobicContact CG-CD1 4.36Å
276E97.7Very high96.7Very high26 Ų2640.4 Ų40.412%0.12120%0.199CC..Hα-helixtrans-71.3-37.8174.6-154.262.4-151.300111.5Y254 R272 S273 L274 E278 K279 F280 A339Y254-E276 HydrophobicContact CD1-CB 4.14Å; Y254-E276 HydrophobicContact CD2-CB 4.48Å; Y254-E276 HydrophobicContact CD2-CG 4.37Å; Y254-E276 HydrophobicContact CE1-CB 4.25Å; Y254-E276 HydrophobicContact CE1-CG 4.23Å; Y254-E276 HydrophobicContact CE2-CG 4.08Å; Y254-E276 HydrophobicContact CG-CB 4.26Å; R272-E276 IonicContact CZ-OE2 3.51Å; R272-E276 VanDerWaalsContact CZ-OE2 3.28Å; R272-E276 IonicContact NH1-OE2 3.75Å; R272-E276 PolarHBondContact NH1-OE2 3.37Å; R272-E276 IonicContact NH2-OE2 2.76Å; R272-E276 PolarHBondContact NH2-OE2 2.94Å; R272-E276 PolarHBondContact O-N 3.33Å; R272-E276 VanDerWaalsContact O-N 3.17Å; S273-E276 WeakPolarHBondContact O-CB 3.45Å; S273-E276 PolarHBondContact O-N 3.37Å; S273-E276 VanDerWaalsContact O-N 3.14Å; L274-E276 VanDerWaalsContact C-N 3.28Å; L274-E276 PolarHBondContact O-N 2.96Å; E276-E278 VanDerWaalsContact C-N 3.33Å; E276-E278 PolarHBondContact O-N 3.49Å; E276-K279 WeakPolarHBondContact O-CB 3.49Å; E276-K279 PolarHBondContact O-N 3.04Å; E276-K279 IonicContact OE2-NZ 3.44Å; E276-K279 PolarHBondContact OE2-NZ 3.3Å; E276-F280 HydrophobicContact CG-CD2 4.17Å; E276-F280 HydrophobicContact CG-CE2 4Å; E276-F280 WeakPolarHBondContact O-CD2 3.37Å; E276-F280 PolarHBondContact O-N 2.92Å; E276-A339 HydrophobicContact CB-CB 4.05Å; E276-A339 HydrophobicContact CG-CB 3.67Å
277S97.6Very high96.7Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-55.3-46.2171.7-175.50000112A251 S273 L274 K279 F280 F281 I316A251-S277 WeakPolarHBondContact CB-O 3.43Å; A251-S277 PolarHBondContact O-OG 2.86Å; S273-S277 PolarHBondContact O-N 3.01Å; L274-S277 VanDerWaalsContact O-CB 3.3Å; L274-S277 WeakPolarHBondContact O-CB 3.41Å; L274-S277 PolarHBondContact O-N 3.47Å; S277-K279 PolarHBondContact O-N 3.5Å; S277-F280 PolarHBondContact O-N 3.24Å; S277-F281 WeakPolarHBondContact O-CB 3.37Å; S277-F281 PolarHBondContact O-N 2.98Å; S277-I316 VanDerWaalsContact OG-CD1 3.25Å; S277-I316 WeakPolarHBondContact OG-CD1 3.38Å; S277-I316 WeakPolarHBondContact OG-CG1 3.48Å
278E97.3Very high96.5Very high106 Ų10637.4 Ų37.450%0.49519%0.187SC..Hα-helixtrans-60.9-41.6177-173.2176.3-137.500112.3L274 E276 F281 A282 I316L274-E278 PolarHBondContact O-N 2.95Å; E276-E278 VanDerWaalsContact C-N 3.33Å; E276-E278 PolarHBondContact O-N 3.49Å; E278-F281 PolarHBondContact O-N 2.83Å; E278-A282 PolarHBondContact O-N 3.47Å; E278-I316 HydrophobicContact CB-CG2 4.23Å
279K97.3Very high96.2Very high96 Ų9643.6 Ų43.642%0.41721%0.214SC..Hα-helixtrans-62-45.1175.2-68.1175.9-165.4165.40112.2Q275 E276 S277 F281 A282 K283Q275-K279 WeakPolarHBondContact O-CG 3.48Å; Q275-K279 PolarHBondContact O-N 3.38Å; E276-K279 WeakPolarHBondContact O-CB 3.49Å; E276-K279 PolarHBondContact O-N 3.04Å; E276-K279 IonicContact OE2-NZ 3.44Å; E276-K279 PolarHBondContact OE2-NZ 3.3Å; S277-K279 PolarHBondContact O-N 3.5Å; K279-F281 VanDerWaalsContact C-N 3.32Å; K279-A282 PolarHBondContact O-N 2.96Å; K279-K283 WeakPolarHBondContact O-CG 3.39Å; K279-K283 PolarHBondContact O-N 3.43Å
280F97.8Very high96Very high41 Ų4143.5 Ų43.518%0.1821%0.214CC..Hα-helixtrans-65.3-37.2176.8-85.5-72.5000111.9C247 M250 A251 Y254 E276 S277 K283 A284C247-F280 HydrophobicContact CB-CD1 4.38Å; M250-F280 HydrophobicContact CB-CD1 3.95Å; M250-F280 HydrophobicContact CB-CD2 4.47Å; M250-F280 HydrophobicContact CB-CE1 4.18Å; M250-F280 HydrophobicContact CB-CG 4.1Å; M250-F280 HydrophobicContact CG-CD1 4.07Å; M250-F280 HydrophobicContact CG-CD2 4.03Å; M250-F280 HydrophobicContact CG-CE1 3.89Å; M250-F280 HydrophobicContact CG-CE2 3.87Å; M250-F280 HydrophobicContact CG-CG 4.13Å; M250-F280 HydrophobicContact CG-CZ 3.79Å; A251-F280 HydrophobicContact CB-CB 3.91Å; Y254-F280 AromaticContact CD2-CD2 3.8Å; Y254-F280 HydrophobicContact CD2-CD2 3.8Å; Y254-F280 AromaticContact CD2-CE2 3.93Å; Y254-F280 HydrophobicContact CD2-CE2 3.93Å; Y254-F280 AromaticContact CE2-CD2 3.8Å; Y254-F280 HydrophobicContact CE2-CD2 3.8Å; Y254-F280 AromaticContact CE2-CE2 3.42Å; Y254-F280 HydrophobicContact CE2-CE2 3.42Å; Y254-F280 VanDerWaalsContact CE2-CE2 3.42Å; Y254-F280 HydrophobicContact CE2-CZ 4.36Å; E276-F280 HydrophobicContact CG-CD2 4.17Å; E276-F280 HydrophobicContact CG-CE2 4Å; E276-F280 WeakPolarHBondContact O-CD2 3.37Å; E276-F280 PolarHBondContact O-N 2.92Å; S277-F280 PolarHBondContact O-N 3.24Å; F280-K283 PolarHBondContact O-N 3.28Å; F280-A284 PolarHBondContact O-N 2.89Å
281F96.8Very high95.8Very high30 Ų3043.6 Ų43.613%0.13221%0.214CC..Hα-helixtrans-63.5-45.3175.5-173.4-102.2000111.9F248 A251 S277 E278 K279 K283 A284 E285 F309 L312 G313 I316F248-F281 HydrophobicContact CE2-CE2 4.3Å; A251-F281 HydrophobicContact CB-CB 4.08Å; S277-F281 WeakPolarHBondContact O-CB 3.37Å; S277-F281 PolarHBondContact O-N 2.98Å; E278-F281 PolarHBondContact O-N 2.83Å; K279-F281 VanDerWaalsContact C-N 3.32Å; F281-K283 VanDerWaalsContact C-N 3.34Å; F281-K283 PolarHBondContact O-N 3.43Å; F281-A284 WeakPolarHBondContact O-CB 3.02Å; F281-A284 PolarHBondContact O-N 2.85Å; F281-A284 VanDerWaalsContact O-N 3.16Å; F281-E285 PolarHBondContact O-N 3.47Å; F281-F309 HydrophobicContact CD2-CZ 4.34Å; F281-F309 AromaticContact CE1-CE1 3.95Å; F281-F309 HydrophobicContact CE1-CE1 3.95Å; F281-F309 AromaticContact CE2-CD1 3.96Å; F281-F309 HydrophobicContact CE2-CD1 3.96Å; F281-F309 AromaticContact CE2-CE1 3.64Å; F281-F309 HydrophobicContact CE2-CE1 3.64Å; F281-F309 HydrophobicContact CE2-CE2 4.35Å; F281-F309 HydrophobicContact CE2-CG 4.43Å; F281-F309 AromaticContact CE2-CZ 3.83Å; F281-F309 HydrophobicContact CE2-CZ 3.83Å; F281-F309 WeakPolarHBondContact CE2-O 3.41Å; F281-F309 AromaticContact CZ-CD1 3.67Å; F281-F309 HydrophobicContact CZ-CD1 3.67Å; F281-F309 AromaticContact CZ-CE1 3.3Å; F281-F309 HydrophobicContact CZ-CE1 3.3Å; F281-F309 AromaticContact CZ-CZ 3.93Å; F281-F309 HydrophobicContact CZ-CZ 3.93Å; F281-F309 WeakPolarHBondContact CZ-O 3.39Å; F281-L312 HydrophobicContact CD2-CB 4.5Å; F281-L312 HydrophobicContact CD2-CD2 3.82Å; F281-L312 HydrophobicContact CD2-CG 4Å; F281-L312 HydrophobicContact CE2-CB 4.09Å; F281-L312 HydrophobicContact CE2-CD2 4.14Å; F281-L312 HydrophobicContact CE2-CG 4.1Å; F281-G313 VanDerWaalsContact CZ-CA 3.45Å; F281-I316 HydrophobicContact CB-CD1 3.82Å; F281-I316 HydrophobicContact CD2-CD1 4.07Å; F281-I316 HydrophobicContact CG-CD1 4Å
282A96.6Very high95.4Very high54 Ų5444.5 Ų44.545%0.44623%0.225SC..Hα-helixtrans-62-39.2175.200000112.4E278 K279 E285 A286E278-A282 PolarHBondContact O-N 3.47Å; K279-A282 PolarHBondContact O-N 2.96Å; A282-E285 PolarHBondContact O-N 3Å; A282-A286 PolarHBondContact O-N 2.92Å
283K96.5Very high95Very high110 Ų11051 Ų5148%0.47826%0.257SS..Hα-helixtrans-62.1-43.8172.2-72.2174.1-177.8176.70111.8K279 F280 F281 E285 A286 L287K279-K283 WeakPolarHBondContact O-CG 3.39Å; K279-K283 PolarHBondContact O-N 3.43Å; F280-K283 PolarHBondContact O-N 3.28Å; F281-K283 VanDerWaalsContact C-N 3.34Å; F281-K283 PolarHBondContact O-N 3.43Å; K283-E285 VanDerWaalsContact C-N 3.27Å; K283-E285 PolarHBondContact O-N 3.01Å; K283-A286 PolarHBondContact O-N 3.34Å; K283-L287 WeakPolarHBondContact O-CG 3.34Å; K283-L287 PolarHBondContact O-N 3.34Å
284A95.8Very high94.7Very high0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-61.7-37.4175.900000111.5C247 F248 F280 F281 L287 C288 F309C247-A284 HydrophobicContact CB-CB 3.87Å; F248-A284 HydrophobicContact CB-CB 4.24Å; F280-A284 PolarHBondContact O-N 2.89Å; F281-A284 WeakPolarHBondContact O-CB 3.02Å; F281-A284 PolarHBondContact O-N 2.85Å; F281-A284 VanDerWaalsContact O-N 3.16Å; A284-L287 PolarHBondContact O-N 3.43Å; A284-C288 PolarHBondContact O-N 3.37Å; A284-C288 PolarHBondContact O-SG 3.42Å; A284-F309 HydrophobicContact CB-CE2 4.01Å; A284-F309 HydrophobicContact CB-CZ 4.21Å
285E93.6Very high94.3Very high85 Ų8562.2 Ų62.240%0.39731%0.308SS..Hα-helixtrans-66.4-40176.9-169.2178.9-175.100112.5F281 A282 K283 C288 K289 F309F281-E285 PolarHBondContact O-N 3.47Å; A282-E285 PolarHBondContact O-N 3Å; K283-E285 VanDerWaalsContact C-N 3.27Å; K283-E285 PolarHBondContact O-N 3.01Å; E285-C288 WeakPolarHBondContact O-CB 3.16Å; E285-C288 PolarHBondContact O-N 3.45Å; E285-K289 PolarHBondContact O-N 3.37Å; E285-F309 HydrophobicContact CB-CE1 4.04Å; E285-F309 HydrophobicContact CB-CZ 3.81Å; E285-F309 HydrophobicContact CG-CE1 4.19Å; E285-F309 HydrophobicContact CG-CZ 4.38Å
286A95Very high93.9Very high44 Ų4460.6 Ų60.636%0.36431%0.309SS..Hα-helixtrans-61.7-45.5172.200000111.3A282 K283 C288 K289 E290A282-A286 PolarHBondContact O-N 2.92Å; K283-A286 PolarHBondContact O-N 3.34Å; A286-C288 VanDerWaalsContact C-N 3.27Å; A286-C288 PolarHBondContact O-N 3.38Å; A286-K289 WeakPolarHBondContact O-CB 3.3Å; A286-K289 PolarHBondContact O-N 3.28Å; A286-E290 PolarHBondContact O-N 2.83Å; A286-E290 VanDerWaalsContact O-N 3.11Å
287L94.9Very high93.3Very high25 Ų2560.5 Ų60.513%0.13131%0.311CS..Hα-helixtrans-63.1-30.2177.1-71.9165000113.1K240 N243 L244 C247 K283 A284 K289 E290 Y291K240-L287 HydrophobicContact CD-CD2 4.22Å; N243-L287 HydrophobicContact CB-CD1 4.16Å; N243-L287 HydrophobicContact CB-CD2 4.35Å; L244-L287 HydrophobicContact CB-CB 3.97Å; L244-L287 HydrophobicContact CG-CB 4.42Å; C247-L287 HydrophobicContact CB-CD1 4.37Å; K283-L287 WeakPolarHBondContact O-CG 3.34Å; K283-L287 PolarHBondContact O-N 3.34Å; A284-L287 PolarHBondContact O-N 3.43Å; L287-K289 VanDerWaalsContact C-N 3.31Å; L287-K289 PolarHBondContact O-N 3.26Å; L287-E290 PolarHBondContact O-N 3.08Å; L287-Y291 VanDerWaalsContact O-CB 3.31Å; L287-Y291 WeakPolarHBondContact O-CB 3.45Å; L287-Y291 PolarHBondContact O-N 3.23Å
288C91.1Very high92.5Very high2 Ų261.7 Ų61.71%0.01432%0.323CS..Hα-helixtrans-59.3-40.8171.2-70.70000112.1L244 A284 E285 A286 G292 P303 F309L244-C288 HydrophobicContact CD1-CB 4.28Å; L244-C288 VanDerWaalsContact CD1-SG 3.5Å; A284-C288 PolarHBondContact O-N 3.37Å; A284-C288 PolarHBondContact O-SG 3.42Å; E285-C288 WeakPolarHBondContact O-CB 3.16Å; E285-C288 PolarHBondContact O-N 3.45Å; A286-C288 VanDerWaalsContact C-N 3.27Å; A286-C288 PolarHBondContact O-N 3.38Å; C288-G292 PolarHBondContact O-N 3.45Å; C288-P303 HydrophobicContact CB-CG 3.92Å; C288-F309 VanDerWaalsContact SG-CE2 3.56Å
289K90.6Very high91.5Very high130 Ų13061.9 Ų61.957%0.56533%0.332SS*.Hα-helixtrans-69.7-48.8178.1-62.2179-176.5176.60110.5E285 A286 L287 Y291 G292 E293E285-K289 PolarHBondContact O-N 3.37Å; A286-K289 WeakPolarHBondContact O-CB 3.3Å; A286-K289 PolarHBondContact O-N 3.28Å; L287-K289 VanDerWaalsContact C-N 3.31Å; L287-K289 PolarHBondContact O-N 3.26Å; K289-Y291 VanDerWaalsContact C-N 3.31Å; K289-Y291 PolarHBondContact O-N 3.2Å; K289-G292 PolarHBondContact O-N 3.27Å; K289-E293 PolarHBondContact O-N 2.82Å; K289-E293 VanDerWaalsContact O-N 3.1Å
290E93Very high90.4Very high73 Ų7360.1 Ų60.134%0.34133%0.329SS..Hα-helixtrans-58.3-42177.8-66.4176.6-154.700112K240 A286 L287 G292 E293 T294K240-E290 HydrophobicContact CD-CB 4.28Å; K240-E290 WeakPolarHBondContact CE-OE2 3.43Å; K240-E290 IonicContact NZ-OE2 2.89Å; K240-E290 PolarHBondContact NZ-OE2 2.94Å; A286-E290 PolarHBondContact O-N 2.83Å; A286-E290 VanDerWaalsContact O-N 3.11Å; L287-E290 PolarHBondContact O-N 3.08Å; E290-G292 VanDerWaalsContact C-N 3.32Å; E290-G292 PolarHBondContact O-N 2.78Å; E290-E293 PolarHBondContact O-N 3.36Å; E290-T294 WeakPolarHBondContact O-CB 3.39Å; E290-T294 PolarHBondContact O-N 3.27Å; E290-T294 PolarHBondContact O-OG1 3.46Å
291Y92.5Very high89.3Confident2 Ų258.1 Ų58.11%0.00832%0.32CS..Hα-helixtrans-59.4-42.6174.8173.2-90.1000112W4 H6 K237 K240 L287 K289 E293 T294 T299 A301W4-Y291 AromaticContact CH2-CD1 3.95Å; W4-Y291 HydrophobicContact CH2-CD1 3.95Å; W4-Y291 AromaticContact CH2-CE1 3.69Å; W4-Y291 HydrophobicContact CH2-CE1 3.69Å; W4-Y291 HydrophobicContact CH2-CE2 4.29Å; W4-Y291 HydrophobicContact CH2-CG 4.39Å; W4-Y291 AromaticContact CH2-CZ 3.89Å; W4-Y291 HydrophobicContact CZ2-CD1 4.25Å; W4-Y291 AromaticContact CZ2-CE1 3.56Å; W4-Y291 HydrophobicContact CZ2-CE1 3.56Å; W4-Y291 AromaticContact CZ2-CZ 3.73Å; H6-Y291 AromaticContact ND1-CE2 3.77Å; H6-Y291 AromaticContact ND1-CZ 3.73Å; H6-Y291 PolarHBondContact ND1-OH 3.24Å; K237-Y291 HydrophobicContact CD-CE2 4.49Å; K237-Y291 HydrophobicContact CG-CD2 4.07Å; K237-Y291 HydrophobicContact CG-CE2 3.69Å; K237-Y291 WeakPolarHBondContact O-CD2 3.27Å; K240-Y291 HydrophobicContact CB-CD2 4.21Å; L287-Y291 VanDerWaalsContact O-CB 3.31Å; L287-Y291 WeakPolarHBondContact O-CB 3.45Å; L287-Y291 PolarHBondContact O-N 3.23Å; K289-Y291 VanDerWaalsContact C-N 3.31Å; K289-Y291 PolarHBondContact O-N 3.2Å; Y291-E293 VanDerWaalsContact C-N 3.3Å; Y291-E293 PolarHBondContact O-N 3.03Å; Y291-T294 PolarHBondContact O-N 3.23Å; Y291-T299 PolarHBondContact OH-O 3.43Å; Y291-A301 HydrophobicContact CE1-CB 4.26Å
292G88.5Confident88.5Confident25 Ų2561.7 Ų61.726%0.25834%0.336SS..Hα-helixtrans-66.4-30.3179.400000113.6C288 K289 E290 T300C288-G292 PolarHBondContact O-N 3.45Å; K289-G292 PolarHBondContact O-N 3.27Å; E290-G292 VanDerWaalsContact C-N 3.32Å; E290-G292 PolarHBondContact O-N 2.78Å; G292-T300 WeakPolarHBondContact O-CG2 3.36Å
293E90.3Very high87.5Confident158 Ų15859.1 Ų59.174%0.73832%0.315SS*.Hα-helixtrans-88.1-20.9178.8-67.2169.1-174.700112.8K289 E290 Y291 K295K289-E293 PolarHBondContact O-N 2.82Å; K289-E293 VanDerWaalsContact O-N 3.1Å; E290-E293 PolarHBondContact O-N 3.36Å; Y291-E293 VanDerWaalsContact C-N 3.3Å; Y291-E293 PolarHBondContact O-N 3.03Å; E293-K295 PolarHBondContact O-N 3.26Å
294T91.5Very high86.5Confident37 Ų3755.7 Ų55.723%0.22731%0.305CS..  trans-75.9119-178.2-58.80000110.8K237 E290 Y291K237-T294 HydrophobicContact CB-CG2 3.9Å; K237-T294 WeakPolarHBondContact CD-O 3.29Å; K237-T294 HydrophobicContact CG-CG2 4.46Å; E290-T294 WeakPolarHBondContact O-CB 3.39Å; E290-T294 PolarHBondContact O-N 3.27Å; E290-T294 PolarHBondContact O-OG1 3.46Å; Y291-T294 PolarHBondContact O-N 3.23Å
295K89.4Confident85.5Confident197 Ų19756.6 Ų56.686%0.85731%0.314SS*.  trans-70.4144.2169.1-64.8-174.6-178.9-178.60110.2E293E293-K295 PolarHBondContact O-N 3.26Å
296G87.8Confident84.8Confident32 Ų3253.2 Ų53.233%0.3330%0.298SS..  trans162.5177.7178.300000111.9
297P85.9Confident84Confident23 Ų2354.6 Ų54.615%0.14930%0.299CS..SBendtrans-57.6150.4-178.2-22.232.9000112.7H6 P9 T95 L96H6-P297 PolarHBondContact CE1-O 2.6Å; H6-P297 VanDerWaalsContact CE1-O 3.3Å; P9-P297 HydrophobicContact CG-CB 4.32Å; T95-P297 WeakPolarHBondContact O-CB 3.38Å; L96-P297 HydrophobicContact CD2-CB 4.37Å; L96-P297 HydrophobicContact CD2-CG 3.92Å
298G80.1Confident83.3Confident25 Ų2553.7 Ų53.726%0.25829%0.294SS..SBendtrans83.8164.7178.600000114.7R7 K237R7-G298 VanDerWaalsContact O-CA 3.24Å; R7-G298 WeakPolarHBondContact O-CA 3.19Å; K237-G298 PolarHBondContact NZ-O 2.69Å
299T75.9Confident83Confident111 Ų11153.8 Ų53.868%0.68129%0.294SS*.  trans-69.2140.6-175.551.40000112.1Y291Y291-T299 PolarHBondContact OH-O 3.43Å
300T74.8Confident82.8Confident58 Ų5854.8 Ų54.836%0.35629%0.294SS..  trans-77.5132.5174-58.30000109.3K237 G292K237-T300 PolarHBondContact NZ-OG1 3.48Å; G292-T300 WeakPolarHBondContact O-CG2 3.36Å
301A75.4Confident82.6Confident0 Ų056.9 Ų56.90%030%0.302CS..  trans-133.8155.1-178.900000109.5W4 Y291 P303 C408W4-A301 HydrophobicContact CZ2-CB 3.85Å; Y291-A301 HydrophobicContact CE1-CB 4.26Å; A301-P303 VanDerWaalsContact C-CD 3.42Å; A301-P303 WeakPolarHBondContact O-CD 3.21Å; A301-C408 WeakPolarHBondContact CB-SG 3.38Å
302K78.8Confident82.5Confident105 Ų10556.8 Ų56.846%0.45730%0.302SS..  trans-110.477.4172.8-66-179.6-177172.30109.6S304 G305 H306K302-S304 VanDerWaalsContact C-N 3.26Å; K302-S304 PolarHBondContact O-N 2.93Å; K302-G305 PolarHBondContact O-N 2.89Å; K302-G305 VanDerWaalsContact O-N 3.16Å; K302-H306 PolarHBondContact O-CD2 3.44Å; K302-H306 VanDerWaalsContact O-CD2 3.24Å; K302-H306 PolarHBondContact O-NE2 3.25Å
303P76.7Confident82.7Confident0 Ų056.4 Ų56.40%030%0.298CS..G310 helixtrans-65.2-23.6-168.524.6-34.5000114.6W4 L244 C288 A301 G305 H306 F308W4-P303 HydrophobicContact CD2-CB 4.01Å; W4-P303 HydrophobicContact CE3-CB 3.5Å; W4-P303 VanDerWaalsContact CE3-CB 3.5Å; W4-P303 HydrophobicContact CE3-CG 4.23Å; W4-P303 HydrophobicContact CH2-CB 3.9Å; W4-P303 HydrophobicContact CH2-CG 3.72Å; W4-P303 HydrophobicContact CZ2-CB 4.39Å; W4-P303 HydrophobicContact CZ2-CG 4.39Å; W4-P303 HydrophobicContact CZ3-CB 3.43Å; W4-P303 VanDerWaalsContact CZ3-CB 3.43Å; W4-P303 HydrophobicContact CZ3-CG 3.63Å; L244-P303 HydrophobicContact CD1-CG 3.82Å; C288-P303 HydrophobicContact CB-CG 3.92Å; A301-P303 VanDerWaalsContact C-CD 3.42Å; A301-P303 WeakPolarHBondContact O-CD 3.21Å; P303-G305 PolarHBondContact O-N 3.18Å; P303-H306 VanDerWaalsContact O-CB 3.3Å; P303-H306 WeakPolarHBondContact O-CB 3.36Å; P303-H306 PolarHBondContact O-N 3.13Å; P303-F308 HydrophobicContact CB-CE1 4.41Å; P303-F308 HydrophobicContact CB-CZ 4.21Å
304S74.4Confident82.9Confident38 Ų3852.2 Ų52.227%0.26629%0.286SS..G310 helixtrans-61.6-24.517653.60000113.4K302 H306K302-S304 VanDerWaalsContact C-N 3.26Å; K302-S304 PolarHBondContact O-N 2.93Å; S304-H306 VanDerWaalsContact C-N 3.32Å
305G74.8Confident83Confident19 Ų1952.7 Ų52.720%0.19629%0.287CS..G310 helixtrans-79.4-12.4175.500000114.2K302 P303 R310K302-G305 PolarHBondContact O-N 2.89Å; K302-G305 VanDerWaalsContact O-N 3.16Å; P303-G305 PolarHBondContact O-N 3.18Å; G305-R310 PolarHBondContact O-NE 3.36Å; G305-R310 PolarHBondContact O-NH2 2.89Å
306H79.3Confident83.3Confident13 Ų1343.5 Ų43.56%0.0625%0.247CC..SBendtrans-79.3152.2-170.6-63.2-164000111.5W4 K302 P303 S304 F308 F309 R310 S406 G407W4-H306 AromaticContact CD1-CE1 3.75Å; W4-H306 AromaticContact CG-CE1 3.8Å; W4-H306 AromaticContact CG-ND1 3.76Å; K302-H306 PolarHBondContact O-CD2 3.44Å; K302-H306 VanDerWaalsContact O-CD2 3.24Å; K302-H306 PolarHBondContact O-NE2 3.25Å; P303-H306 VanDerWaalsContact O-CB 3.3Å; P303-H306 WeakPolarHBondContact O-CB 3.36Å; P303-H306 PolarHBondContact O-N 3.13Å; S304-H306 VanDerWaalsContact C-N 3.32Å; H306-F308 VanDerWaalsContact C-N 3.29Å; H306-F308 HydrophobicContact CB-CD1 3.47Å; H306-F308 VanDerWaalsContact CB-CD1 3.47Å; H306-F308 HydrophobicContact CB-CE1 3.49Å; H306-F308 VanDerWaalsContact CB-CE1 3.49Å; H306-F308 AromaticContact CG-CE1 3.91Å; H306-F308 AromaticContact ND1-CE1 3.69Å; H306-F308 PolarHBondContact O-N 2.97Å; H306-F309 PolarHBondContact O-N 3.49Å; H306-F309 VanDerWaalsContact O-N 3.13Å; H306-R310 PolarHBondContact O-N 3.07Å; H306-S406 PolarHBondContact CD2-O 2.99Å; H306-S406 PolarHBondContact CE1-O 2.82Å; H306-S406 PolarHBondContact NE2-O 2.98Å; H306-G407 VanDerWaalsContact NE2-C 3.34Å
307L78.8Confident83.8Confident73 Ų7347.8 Ų47.838%0.38226%0.257SS..Hα-helixtrans-57.2-39-178.6-73.8172.4000113.3F309 R310 K311L307-F309 VanDerWaalsContact C-N 3.27Å; L307-F309 PolarHBondContact O-N 3.01Å; L307-R310 PolarHBondContact O-N 3.35Å; L307-K311 WeakPolarHBondContact O-CB 3.14Å; L307-K311 WeakPolarHBondContact O-CG 3.36Å; L307-K311 PolarHBondContact O-N 3.23Å
308F80.5Confident84.3Confident6 Ų651.4 Ų51.43%0.02628%0.275CS..Hα-helixtrans-59.9-39.7179.683.9-89.4000111.5T2 W4 F248 P303 H306T2-F308 WeakPolarHBondContact O-CB 3.46Å; W4-F308 HydrophobicContact CB-CD1 4.15Å; W4-F308 HydrophobicContact CB-CE1 3.64Å; W4-F308 HydrophobicContact CB-CZ 4.34Å; W4-F308 HydrophobicContact CE3-CE1 4.35Å; W4-F308 HydrophobicContact CE3-CZ 4.07Å; W4-F308 HydrophobicContact CG-CE1 4.46Å; F248-F308 HydrophobicContact CD1-CE2 4.43Å; F248-F308 HydrophobicContact CD2-CE2 4.48Å; F248-F308 AromaticContact CE1-CD2 3.78Å; F248-F308 HydrophobicContact CE1-CD2 3.78Å; F248-F308 HydrophobicContact CE1-CE2 4.02Å; F248-F308 HydrophobicContact CE2-CD2 4.13Å; F248-F308 HydrophobicContact CE2-CE2 4.09Å; F248-F308 AromaticContact CZ-CD2 3.51Å; F248-F308 HydrophobicContact CZ-CD2 3.51Å; F248-F308 AromaticContact CZ-CE2 3.84Å; F248-F308 HydrophobicContact CZ-CE2 3.84Å; P303-F308 HydrophobicContact CB-CE1 4.41Å; P303-F308 HydrophobicContact CB-CZ 4.21Å; H306-F308 VanDerWaalsContact C-N 3.29Å; H306-F308 HydrophobicContact CB-CD1 3.47Å; H306-F308 VanDerWaalsContact CB-CD1 3.47Å; H306-F308 HydrophobicContact CB-CE1 3.49Å; H306-F308 VanDerWaalsContact CB-CE1 3.49Å; H306-F308 AromaticContact CG-CE1 3.91Å; H306-F308 AromaticContact ND1-CE1 3.69Å; H306-F308 PolarHBondContact O-N 2.97Å
309F84.5Confident84.9Confident5 Ų550.8 Ų50.82%0.02227%0.266CS..Hα-helixtrans-71.3-47.2-178.5-161.3-88.1000111.4F248 F281 A284 E285 C288 H306 L307 K311 L312 G313F248-F309 AromaticContact CD2-CD2 3.74Å; F248-F309 HydrophobicContact CD2-CD2 3.74Å; F248-F309 AromaticContact CD2-CE2 3.79Å; F248-F309 HydrophobicContact CD2-CE2 3.79Å; F248-F309 HydrophobicContact CE2-CB 4.49Å; F248-F309 AromaticContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CE2 4.16Å; F248-F309 HydrophobicContact CE2-CG 4.25Å; F281-F309 HydrophobicContact CD2-CZ 4.34Å; F281-F309 AromaticContact CE1-CE1 3.95Å; F281-F309 HydrophobicContact CE1-CE1 3.95Å; F281-F309 AromaticContact CE2-CD1 3.96Å; F281-F309 HydrophobicContact CE2-CD1 3.96Å; F281-F309 AromaticContact CE2-CE1 3.64Å; F281-F309 HydrophobicContact CE2-CE1 3.64Å; F281-F309 HydrophobicContact CE2-CE2 4.35Å; F281-F309 HydrophobicContact CE2-CG 4.43Å; F281-F309 AromaticContact CE2-CZ 3.83Å; F281-F309 HydrophobicContact CE2-CZ 3.83Å; F281-F309 WeakPolarHBondContact CE2-O 3.41Å; F281-F309 AromaticContact CZ-CD1 3.67Å; F281-F309 HydrophobicContact CZ-CD1 3.67Å; F281-F309 AromaticContact CZ-CE1 3.3Å; F281-F309 HydrophobicContact CZ-CE1 3.3Å; F281-F309 AromaticContact CZ-CZ 3.93Å; F281-F309 HydrophobicContact CZ-CZ 3.93Å; F281-F309 WeakPolarHBondContact CZ-O 3.39Å; A284-F309 HydrophobicContact CB-CE2 4.01Å; A284-F309 HydrophobicContact CB-CZ 4.21Å; E285-F309 HydrophobicContact CB-CE1 4.04Å; E285-F309 HydrophobicContact CB-CZ 3.81Å; E285-F309 HydrophobicContact CG-CE1 4.19Å; E285-F309 HydrophobicContact CG-CZ 4.38Å; C288-F309 VanDerWaalsContact SG-CE2 3.56Å; H306-F309 PolarHBondContact O-N 3.49Å; H306-F309 VanDerWaalsContact O-N 3.13Å; L307-F309 VanDerWaalsContact C-N 3.27Å; L307-F309 PolarHBondContact O-N 3.01Å; F309-K311 PolarHBondContact O-N 2.92Å; F309-L312 PolarHBondContact O-N 3.47Å; F309-G313 PolarHBondContact O-N 2.56Å
310R86.7Confident85.9Confident150 Ų15046.1 Ų46.157%0.56624%0.237SC*.Hα-helixtrans-64.2-37.7179.9-66.1-179.6-178.9163.71.1113G305 H306 L307 L312 G313 S314G305-R310 PolarHBondContact O-NE 3.36Å; G305-R310 PolarHBondContact O-NH2 2.89Å; H306-R310 PolarHBondContact O-N 3.07Å; L307-R310 PolarHBondContact O-N 3.35Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.11Å; R310-G313 PolarHBondContact O-N 3.48Å; R310-S314 PolarHBondContact O-N 2.84Å; R310-S314 VanDerWaalsContact O-N 3.14Å; R310-S314 PolarHBondContact O-OG 3.18Å
311K88.3Confident87Confident117 Ų11747.1 Ų47.151%0.50924%0.238SC..Hα-helixtrans-60.8-41.2178.9-80.7-177.5175.8-176.80112.3L307 F309 L315L307-K311 WeakPolarHBondContact O-CB 3.14Å; L307-K311 WeakPolarHBondContact O-CG 3.36Å; L307-K311 PolarHBondContact O-N 3.23Å; F309-K311 PolarHBondContact O-N 2.92Å; K311-L315 WeakPolarHBondContact O-CB 3.39Å; K311-L315 PolarHBondContact O-N 3.28Å
312L90.7Very high88Confident0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-65.6-45.2176.6177.960000111.6F248 A251 Y252 F281 F309 R310 S314 L315 I316F248-L312 HydrophobicContact CD1-CD2 4.47Å; F248-L312 HydrophobicContact CD2-CD2 3.67Å; F248-L312 HydrophobicContact CE1-CD2 4.21Å; F248-L312 HydrophobicContact CE2-CB 3.89Å; F248-L312 HydrophobicContact CE2-CD2 3.34Å; F248-L312 HydrophobicContact CE2-CG 4.24Å; F248-L312 HydrophobicContact CG-CD2 4.23Å; F248-L312 HydrophobicContact CZ-CB 3.91Å; F248-L312 HydrophobicContact CZ-CD2 3.64Å; F248-L312 HydrophobicContact CZ-CG 4.43Å; A251-L312 HydrophobicContact CB-CD2 4.05Å; Y252-L312 HydrophobicContact CD1-CD1 3.96Å; Y252-L312 HydrophobicContact CD2-CD1 3.76Å; Y252-L312 HydrophobicContact CD2-CD2 3.5Å; Y252-L312 HydrophobicContact CD2-CG 4.12Å; Y252-L312 HydrophobicContact CE1-CD1 3.96Å; Y252-L312 HydrophobicContact CE2-CB 3.91Å; Y252-L312 HydrophobicContact CE2-CD1 3.75Å; Y252-L312 HydrophobicContact CE2-CD2 3.68Å; Y252-L312 HydrophobicContact CE2-CG 3.97Å; Y252-L312 HydrophobicContact CG-CD1 3.84Å; Y252-L312 HydrophobicContact CG-CD2 4.26Å; F281-L312 HydrophobicContact CD2-CB 4.5Å; F281-L312 HydrophobicContact CD2-CD2 3.82Å; F281-L312 HydrophobicContact CD2-CG 4Å; F281-L312 HydrophobicContact CE2-CB 4.09Å; F281-L312 HydrophobicContact CE2-CD2 4.14Å; F281-L312 HydrophobicContact CE2-CG 4.1Å; F309-L312 PolarHBondContact O-N 3.47Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.11Å; L312-S314 VanDerWaalsContact C-N 3.34Å; L312-S314 PolarHBondContact O-N 3.13Å; L312-L315 WeakPolarHBondContact O-CB 3.46Å; L312-L315 PolarHBondContact O-N 3.49Å; L312-L315 VanDerWaalsContact O-N 3.09Å; L312-I316 HydrophobicContact CD1-CD1 3.85Å; L312-I316 HydrophobicContact CD1-CG1 3.91Å; L312-I316 HydrophobicContact CD2-CD1 4.34Å; L312-I316 HydrophobicContact CG-CD1 3.74Å; L312-I316 HydrophobicContact CG-CG1 4.26Å; L312-I316 WeakPolarHBondContact O-CG1 3.25Å; L312-I316 PolarHBondContact O-N 2.72Å
313G92Very high88.8Confident18 Ų1846.6 Ų46.619%0.18624%0.236CC..Hα-helixtrans-56.1-46.7178.400000112.7F281 F309 R310 L315 I316 K317F281-G313 VanDerWaalsContact CZ-CA 3.45Å; F309-G313 PolarHBondContact O-N 2.56Å; R310-G313 PolarHBondContact O-N 3.48Å; G313-L315 PolarHBondContact O-N 2.63Å; G313-I316 PolarHBondContact O-N 2.96Å; G313-K317 PolarHBondContact O-N 3.18Å; G313-K317 VanDerWaalsContact O-N 3.09Å
314S93.8Very high89.8Confident70 Ų7051.1 Ų51.149%0.4926%0.256SS..Hα-helixtrans-63.5-39.7175-620000112.7R310 L312 N318R310-S314 PolarHBondContact O-N 2.84Å; R310-S314 VanDerWaalsContact O-N 3.14Å; R310-S314 PolarHBondContact O-OG 3.18Å; L312-S314 VanDerWaalsContact C-N 3.34Å; L312-S314 PolarHBondContact O-N 3.13Å; S314-N318 WeakPolarHBondContact O-CB 3.1Å; S314-N318 PolarHBondContact O-N 2.66Å; S314-N318 PolarHBondContact O-ND2 3.49Å
315L94.5Very high90.9Very high46 Ų4656.6 Ų56.624%0.24127%0.271CS..Hα-helixtrans-62.5-46.5177.7179.264000111.6Y252 Y256 K311 L312 G313 T319Y252-L315 HydrophobicContact CE1-CD2 4.49Å; Y256-L315 HydrophobicContact CE2-CD2 3.83Å; K311-L315 WeakPolarHBondContact O-CB 3.39Å; K311-L315 PolarHBondContact O-N 3.28Å; L312-L315 WeakPolarHBondContact O-CB 3.46Å; L312-L315 PolarHBondContact O-N 3.49Å; L312-L315 VanDerWaalsContact O-N 3.09Å; G313-L315 PolarHBondContact O-N 2.63Å; L315-T319 VanDerWaalsContact O-CB 3.28Å; L315-T319 WeakPolarHBondContact O-CB 3.42Å; L315-T319 PolarHBondContact O-N 3.05Å; L315-T319 PolarHBondContact O-OG1 3.39Å
316I96.3Very high91.9Very high4 Ų457.8 Ų57.82%0.02127%0.272CS..Hα-helixtrans-60.4-52.1178.9-65.6167.5000109.8A251 C255 S277 E278 F281 L312 G313 N318 T319 L320A251-I316 HydrophobicContact CB-CD1 4.15Å; C255-I316 HydrophobicContact CB-CG1 4.17Å; S277-I316 VanDerWaalsContact OG-CD1 3.25Å; S277-I316 WeakPolarHBondContact OG-CD1 3.38Å; S277-I316 WeakPolarHBondContact OG-CG1 3.48Å; E278-I316 HydrophobicContact CB-CG2 4.23Å; F281-I316 HydrophobicContact CB-CD1 3.82Å; F281-I316 HydrophobicContact CD2-CD1 4.07Å; F281-I316 HydrophobicContact CG-CD1 4Å; L312-I316 HydrophobicContact CD1-CD1 3.85Å; L312-I316 HydrophobicContact CD1-CG1 3.91Å; L312-I316 HydrophobicContact CD2-CD1 4.34Å; L312-I316 HydrophobicContact CG-CD1 3.74Å; L312-I316 HydrophobicContact CG-CG1 4.26Å; L312-I316 WeakPolarHBondContact O-CG1 3.25Å; L312-I316 PolarHBondContact O-N 2.72Å; G313-I316 PolarHBondContact O-N 2.96Å; I316-N318 PolarHBondContact O-N 3.33Å; I316-T319 PolarHBondContact O-N 3.1Å; I316-L320 WeakPolarHBondContact O-CB 3.43Å; I316-L320 PolarHBondContact O-N 2.94Å
317K96.5Very high92.7Very high123 Ų12358.1 Ų58.154%0.53527%0.274SS..Hα-helixtrans-56.9-53.2-179.2-178.8178.3174.71790112G313 T319 L320 E321G313-K317 PolarHBondContact O-N 3.18Å; G313-K317 VanDerWaalsContact O-N 3.09Å; K317-T319 VanDerWaalsContact C-N 3.3Å; K317-T319 PolarHBondContact O-N 3.47Å; K317-L320 PolarHBondContact O-N 2.73Å; K317-E321 WeakPolarHBondContact CE-OE1 3.14Å; K317-E321 WeakPolarHBondContact CG-OE1 3.41Å; K317-E321 IonicContact NZ-OE1 3.95Å; K317-E321 WeakPolarHBondContact O-CG 3.3Å; K317-E321 PolarHBondContact O-N 3.03Å
318N96.4Very high93.6Very high98 Ų9856.7 Ų56.752%0.52428%0.277SS..Hα-helixtrans-63-37.8-178.4-67.4-13.7000111.9S314 I316 K322S314-N318 WeakPolarHBondContact O-CB 3.1Å; S314-N318 PolarHBondContact O-N 2.66Å; S314-N318 PolarHBondContact O-ND2 3.49Å; I316-N318 PolarHBondContact O-N 3.33Å; N318-K322 WeakPolarHBondContact O-CB 3.33Å; N318-K322 PolarHBondContact O-N 3.07Å
319T94.6Very high94.3Very high12 Ų1264.1 Ų64.17%0.07431%0.31CS..Hα-helixtrans-70.8-39.4178.9-50.90000111Q259 L274 L315 I316 K317 K322 C323Q259-T319 HydrophobicContact CG-CG2 3.71Å; L274-T319 HydrophobicContact CD1-CG2 3.67Å; L274-T319 HydrophobicContact CD2-CG2 3.9Å; L274-T319 HydrophobicContact CG-CG2 4.43Å; L315-T319 VanDerWaalsContact O-CB 3.28Å; L315-T319 WeakPolarHBondContact O-CB 3.42Å; L315-T319 PolarHBondContact O-N 3.05Å; L315-T319 PolarHBondContact O-OG1 3.39Å; I316-T319 PolarHBondContact O-N 3.1Å; K317-T319 VanDerWaalsContact C-N 3.3Å; K317-T319 PolarHBondContact O-N 3.47Å; T319-K322 WeakPolarHBondContact O-CB 3.45Å; T319-K322 PolarHBondContact O-N 3.39Å; T319-C323 PolarHBondContact O-N 3.43Å; T319-C323 PolarHBondContact O-SG 3.48Å
320L96.8Very high94.8Very high14 Ų1469.1 Ų69.17%0.07334%0.335CS..Hα-helixtrans-65-47.8176.9179.659.4000111.4I271 L274 Q275 I316 K317 K322 C323 Q324I271-L320 HydrophobicContact CG2-CD1 4.11Å; L274-L320 HydrophobicContact CB-CB 4.14Å; L274-L320 HydrophobicContact CB-CD1 3.78Å; L274-L320 HydrophobicContact CB-CG 4.47Å; L274-L320 HydrophobicContact CD1-CB 4.49Å; Q275-L320 HydrophobicContact CG-CD1 4.36Å; I316-L320 WeakPolarHBondContact O-CB 3.43Å; I316-L320 PolarHBondContact O-N 2.94Å; K317-L320 PolarHBondContact O-N 2.73Å; L320-K322 VanDerWaalsContact C-N 3.27Å; L320-K322 PolarHBondContact O-N 2.91Å; L320-C323 PolarHBondContact O-N 3.37Å; L320-C323 VanDerWaalsContact O-N 3.17Å; L320-Q324 HydrophobicContact CD1-CG 4.26Å; L320-Q324 WeakPolarHBondContact O-CG 3.39Å; L320-Q324 PolarHBondContact O-N 3.32Å
321E97.3Very high95.3Very high78 Ų7864.8 Ų64.836%0.36432%0.319SS..Hα-helixtrans-59.3-39.2175.4-72174.7-175.800111.5K317 R325K317-E321 WeakPolarHBondContact CE-OE1 3.14Å; K317-E321 WeakPolarHBondContact CG-OE1 3.41Å; K317-E321 IonicContact NZ-OE1 3.95Å; K317-E321 WeakPolarHBondContact O-CG 3.3Å; K317-E321 PolarHBondContact O-N 3.03Å; E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.34Å; E321-R325 PolarHBondContact O-N 3.27Å
322K96.3Very high95.6Very high95 Ų9566.2 Ų66.241%0.41333%0.326SS..Hα-helixtrans-59.5-52.6172.7179.8-175.2171.7-174.70111.3L262 N318 T319 L320 Q324 R325 E326L262-K322 HydrophobicContact CD2-CD 4.37Å; N318-K322 WeakPolarHBondContact O-CB 3.33Å; N318-K322 PolarHBondContact O-N 3.07Å; T319-K322 WeakPolarHBondContact O-CB 3.45Å; T319-K322 PolarHBondContact O-N 3.39Å; L320-K322 VanDerWaalsContact C-N 3.27Å; L320-K322 PolarHBondContact O-N 2.91Å; K322-Q324 VanDerWaalsContact C-N 3.34Å; K322-Q324 PolarHBondContact O-N 3.41Å; K322-R325 PolarHBondContact O-N 3.05Å; K322-E326 WeakPolarHBondContact CE-OE1 3.42Å; K322-E326 WeakPolarHBondContact CG-OE1 3.41Å; K322-E326 IonicContact NZ-OE1 2.92Å; K322-E326 PolarHBondContact O-N 3.15Å
323C95.9Very high95.9Very high0 Ų069.4 Ų69.40%034%0.341CS..Hα-helixtrans-62.4-40.8-179.2-620000111.9C267 I271 L274 T319 L320 R325 E326 N327C267-C323 PolarHBondContact SG-O 2.96Å; I271-C323 HydrophobicContact CG1-CB 3.62Å; L274-C323 HydrophobicContact CD1-CB 4.24Å; L274-C323 WeakPolarHBondContact CD1-SG 3.46Å; T319-C323 PolarHBondContact O-N 3.43Å; T319-C323 PolarHBondContact O-SG 3.48Å; L320-C323 PolarHBondContact O-N 3.37Å; L320-C323 VanDerWaalsContact O-N 3.17Å; C323-R325 PolarHBondContact O-N 3.21Å; C323-E326 PolarHBondContact O-N 2.88Å; C323-N327 VanDerWaalsContact O-CB 3.31Å; C323-N327 WeakPolarHBondContact O-CB 3.26Å; C323-N327 PolarHBondContact O-N 3.35Å
324Q96.8Very high96.1Very high94 Ų9477.8 Ų77.844%0.43937%0.372SS..Hα-helixtrans-62.1-43177-74.3176.4-18.300112.3I271 L320 K322 N327 G328I271-Q324 HydrophobicContact CD1-CG 4.3Å; I271-Q324 HydrophobicContact CG1-CG 4.42Å; L320-Q324 HydrophobicContact CD1-CG 4.26Å; L320-Q324 WeakPolarHBondContact O-CG 3.39Å; L320-Q324 PolarHBondContact O-N 3.32Å; K322-Q324 VanDerWaalsContact C-N 3.34Å; K322-Q324 PolarHBondContact O-N 3.41Å; Q324-N327 PolarHBondContact O-N 3.12Å; Q324-G328 PolarHBondContact O-N 3.25Å
325R97.3Very high96.3Very high154 Ų15476.9 Ų76.958%0.58136%0.363SS*.Hα-helixtrans-63.3-50.4174.8-72.1-175.5-56.6-165.33.2111.3E321 K322 C323 N327 G328 F329E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.34Å; E321-R325 PolarHBondContact O-N 3.27Å; K322-R325 PolarHBondContact O-N 3.05Å; C323-R325 PolarHBondContact O-N 3.21Å; R325-N327 VanDerWaalsContact C-N 3.28Å; R325-N327 PolarHBondContact O-N 2.94Å; R325-G328 PolarHBondContact O-N 3.03Å; R325-G328 VanDerWaalsContact O-N 3.09Å; R325-F329 HydrophobicContact CB-CD2 4.4Å; R325-F329 WeakPolarHBondContact O-CD2 3.38Å; R325-F329 PolarHBondContact O-N 3.43Å
326E96.2Very high96.3Very high44 Ų4477 Ų7721%0.20637%0.367CS..Hα-helixtrans-60.5-39.1179.5-72.3-176.4-157.900111.8L262 K322 C323 G328 F329 I330 Y331L262-E326 WeakPolarHBondContact CD1-OE2 3.44Å; K322-E326 WeakPolarHBondContact CE-OE1 3.42Å; K322-E326 WeakPolarHBondContact CG-OE1 3.41Å; K322-E326 IonicContact NZ-OE1 2.92Å; K322-E326 PolarHBondContact O-N 3.15Å; C323-E326 PolarHBondContact O-N 2.88Å; E326-G328 VanDerWaalsContact C-N 3.35Å; E326-G328 PolarHBondContact O-N 3.11Å; E326-F329 PolarHBondContact O-N 3.24Å; E326-I330 HydrophobicContact CG-CD1 4.34Å; E326-I330 WeakPolarHBondContact O-CA 3.48Å; E326-I330 VanDerWaalsContact O-CB 3.28Å; E326-I330 WeakPolarHBondContact O-CB 3.31Å; E326-I330 PolarHBondContact O-N 2.85Å; E326-Y331 HydrophobicContact CB-CD2 4.06Å; E326-Y331 HydrophobicContact CB-CE2 3.98Å; E326-Y331 PolarHBondContact O-N 2.67Å
327N96.8Very high96.1Very high19 Ų1981.3 Ų81.310%0.10240%0.403CS..Iπ-helixtrans-68-35.1175.5-158.646.6000112.8C267 I271 C323 Q324 R325 F332 Q333C267-N327 HydrophobicContact CB-CB 4.39Å; I271-N327 HydrophobicContact CD1-CB 3.54Å; C323-N327 VanDerWaalsContact O-CB 3.31Å; C323-N327 WeakPolarHBondContact O-CB 3.26Å; C323-N327 PolarHBondContact O-N 3.35Å; Q324-N327 PolarHBondContact O-N 3.12Å; R325-N327 VanDerWaalsContact C-N 3.28Å; R325-N327 PolarHBondContact O-N 2.94Å; N327-F332 VanDerWaalsContact O-CA 3.27Å; N327-F332 WeakPolarHBondContact O-CA 3.37Å; N327-F332 PolarHBondContact O-N 3.41Å; N327-Q333 PolarHBondContact ND2-O 3.41Å; N327-Q333 WeakPolarHBondContact OD1-CB 3.48Å; N327-Q333 PolarHBondContact OD1-N 3.01Å; N327-Q333 PolarHBondContact OD1-O 2.89Å
328G96.4Very high95.9Very high43 Ų4383 Ų8344%0.44341%0.413SS..Iπ-helixtrans-75.8-20.2178.900000115Q324 R325 E326 F332Q324-G328 PolarHBondContact O-N 3.25Å; R325-G328 PolarHBondContact O-N 3.03Å; R325-G328 VanDerWaalsContact O-N 3.09Å; E326-G328 VanDerWaalsContact C-N 3.35Å; E326-G328 PolarHBondContact O-N 3.11Å; G328-F332 WeakPolarHBondContact O-CE1 3.44Å; G328-F332 WeakPolarHBondContact O-CZ 3.43Å
329F96.1Very high95.6Very high163 Ų16379.6 Ų79.672%0.71540%0.398SS*.Iπ-helixtrans-114.1-28.4-177.9-68.8-65.9000114.5R325 E326 F332R325-F329 HydrophobicContact CB-CD2 4.4Å; R325-F329 WeakPolarHBondContact O-CD2 3.38Å; R325-F329 PolarHBondContact O-N 3.43Å; E326-F329 PolarHBondContact O-N 3.24Å; F329-F332 WeakPolarHBondContact O-CE2 3.38Å
330I95.7Very high95.2Very high109 Ų10980.3 Ų80.356%0.55940%0.404SS*.Iπ-helixtrans-118.4-59.2-169.2-53.6174.4000110.7E326 F332E326-I330 HydrophobicContact CG-CD1 4.34Å; E326-I330 WeakPolarHBondContact O-CA 3.48Å; E326-I330 VanDerWaalsContact O-CB 3.28Å; E326-I330 WeakPolarHBondContact O-CB 3.31Å; E326-I330 PolarHBondContact O-N 2.85Å; I330-F332 WeakPolarHBondContact O-CD2 3.41Å
331Y96.2Very high94.8Very high59 Ų5987.4 Ų87.423%0.23144%0.436CS..Iπ-helixtrans-89.7-35.5-164-63.1-78.4000114.5L262 D265 C267 E326 Q333L262-Y331 HydrophobicContact CD1-CE2 4.37Å; D265-Y331 HydrophobicContact CB-CE1 3.78Å; D265-Y331 VanDerWaalsContact OD1-CE1 3.28Å; D265-Y331 WeakPolarHBondContact OD1-CE1 3.48Å; D265-Y331 PolarHBondContact OD1-OH 2.98Å; C267-Y331 HydrophobicContact CB-CD1 4.33Å; C267-Y331 HydrophobicContact CB-CD2 3.4Å; C267-Y331 HydrophobicContact CB-CE2 4Å; C267-Y331 HydrophobicContact CB-CG 3.59Å; E326-Y331 HydrophobicContact CB-CD2 4.06Å; E326-Y331 HydrophobicContact CB-CE2 3.98Å; E326-Y331 PolarHBondContact O-N 2.67Å; Y331-Q333 PolarHBondContact O-N 3.48Å
332F95.9Very high94.3Very high147 Ų14784.1 Ų84.165%0.64542%0.421SS*.  trans49.131.3-175.7-55.4-80.7000114.2N327 G328 F329 I330N327-F332 VanDerWaalsContact O-CA 3.27Å; N327-F332 WeakPolarHBondContact O-CA 3.37Å; N327-F332 PolarHBondContact O-N 3.41Å; G328-F332 WeakPolarHBondContact O-CE1 3.44Å; G328-F332 WeakPolarHBondContact O-CZ 3.43Å; F329-F332 WeakPolarHBondContact O-CE2 3.38Å; I330-F332 WeakPolarHBondContact O-CD2 3.41Å
333Q96.7Very high93.8Very high67 Ų6787.8 Ų87.831%0.31344%0.44SS..PPolyproline II helixtrans-79.5144.6-177.7-71.2171.95.300111.1D265 N327 Y331 V335D265-Q333 PolarHBondContact O-NE2 3.33Å; D265-Q333 PolarHBondContact O-OE1 2.89Å; N327-Q333 PolarHBondContact ND2-O 3.41Å; N327-Q333 WeakPolarHBondContact OD1-CB 3.48Å; N327-Q333 PolarHBondContact OD1-N 3.01Å; N327-Q333 PolarHBondContact OD1-O 2.89Å; Y331-Q333 PolarHBondContact O-N 3.48Å; Q333-V335 PolarHBondContact O-N 3.21Å
334K95.8Very high93.4Very high194 Ų19489.5 Ų89.584%0.84345%0.449SS*.PPolyproline II helixtrans-68130.1172.6-172.2176.1179.5-179.40109.6P336K334-P336 WeakPolarHBondContact O-CD 3.26Å
335V97Very high92.9Very high51 Ų5192.5 Ų92.531%0.30946%0.46SS..PPolyproline II helixtrans-74.4123172.3-176.40000108.5I271 R272 Q333I271-V335 HydrophobicContact CB-CG1 4.41Å; I271-V335 HydrophobicContact CB-CG2 4.19Å; I271-V335 HydrophobicContact CD1-CG2 4.11Å; I271-V335 HydrophobicContact CG2-CG1 4.02Å; I271-V335 HydrophobicContact CG2-CG2 3.95Å; R272-V335 HydrophobicContact CB-CG1 3.86Å; Q333-V335 PolarHBondContact O-N 3.21Å
336P95.8Very high92.4Very high50 Ų5085.4 Ų85.433%0.32543%0.434SS..PPolyproline II helixtrans-60.4150.7176.2-22.532.7000112.2G268 E269 R272 K334G268-P336 VanDerWaalsContact O-CD 3.27Å; G268-P336 WeakPolarHBondContact O-CD 3.49Å; E269-P336 HydrophobicContact CG-CG 3.96Å; R272-P336 WeakPolarHBondContact CD-O 3.42Å; R272-P336 HydrophobicContact CG-CB 4.41Å; R272-P336 WeakPolarHBondContact CG-O 3.43Å; K334-P336 WeakPolarHBondContact O-CD 3.26Å
337A91.7Very high91.6Very high94 Ų9489.5 Ų89.578%0.77746%0.458SS*.SBendtrans-74-41.2176.600000111.9R272R272-A337 PolarHBondContact NE-O 3.1Å
338E92.3Very high90.9Very high158 Ų15897.3 Ų97.374%0.73849%0.487SS*.SBendtrans-90.3147.1-177.5-63-173.2176.300111.8R272R272-E338 WeakPolarHBondContact CG-O 3.29Å
339A89.3Confident90.3Very high26 Ų2697 Ų9722%0.21549%0.485CS..PPolyproline II helixtrans-69.9149.4174.500000110.1E276 Q341E276-A339 HydrophobicContact CB-CB 4.05Å; E276-A339 HydrophobicContact CG-CB 3.67Å; A339-Q341 PolarHBondContact O-N 3.15Å
340P86.2Confident90.1Very high28 Ų2892.5 Ų92.518%0.18247%0.467CS..PPolyproline II helixtrans-61.1134.9170.723.7-28.7000110Y254 L342Y254-P340 HydrophobicContact CD1-CG 4.29Å; Y254-P340 HydrophobicContact CE1-CG 4.02Å; Y254-P340 WeakPolarHBondContact CE1-O 3.27Å; Y254-P340 PolarHBondContact OH-O 2.62Å; P340-L342 PolarHBondContact O-N 3.36Å
341Q88.8Confident90.1Very high162 Ų16287.4 Ų87.476%0.75744%0.441SS*.PPolyproline II helixtrans-76.5119.6169.8-67.7-178.10.200107.8A339 E343A339-Q341 PolarHBondContact O-N 3.15Å; Q341-E343 PolarHBondContact O-N 2.99Å
342L87.3Confident90.1Very high10 Ų1090.1 Ų90.15%0.05246%0.456CS..  trans-84.1111.4179.6-63.3-177.5000109.3Y214 M250 A253 Y254 H257 P340 L344Y214-L342 HydrophobicContact CD2-CB 3.72Å; Y214-L342 HydrophobicContact CD2-CD1 3.89Å; Y214-L342 HydrophobicContact CD2-CG 4.48Å; Y214-L342 HydrophobicContact CE2-CB 3.59Å; Y214-L342 HydrophobicContact CE2-CD1 4.36Å; Y214-L342 PolarHBondContact OH-O 3.17Å; M250-L342 HydrophobicContact SD-CD1 3.74Å; A253-L342 HydrophobicContact CB-CD1 3.91Å; Y254-L342 HydrophobicContact CD1-CD1 3.84Å; Y254-L342 HydrophobicContact CD1-CD2 4.19Å; Y254-L342 HydrophobicContact CD1-CG 4.1Å; Y254-L342 HydrophobicContact CD2-CD1 3.87Å; Y254-L342 HydrophobicContact CE1-CD1 3.7Å; Y254-L342 HydrophobicContact CE1-CD2 4Å; Y254-L342 HydrophobicContact CE1-CG 3.6Å; Y254-L342 HydrophobicContact CE2-CD1 3.71Å; Y254-L342 HydrophobicContact CE2-CG 4.32Å; Y254-L342 HydrophobicContact CG-CD1 3.92Å; H257-L342 HydrophobicContact CB-CD2 4.11Å; P340-L342 PolarHBondContact O-N 3.36Å; L342-L344 HydrophobicContact CB-CG 4.4Å; L342-L344 HydrophobicContact CD2-CD1 4.13Å; L342-L344 HydrophobicContact CD2-CG 4.35Å
343E85Confident90.2Very high172 Ų17284 Ų8480%0.80443%0.432SS*.  trans-116.552.3168.3-64.6-173.9171.900109.1Q341Q341-E343 PolarHBondContact O-N 2.99Å
344L87.4Confident90.2Very high36 Ų3683.5 Ų83.519%0.18843%0.433CS..  trans-84.4134.1-175.8-56.7-179.5000110A210 A211 Y214 L342A210-L344 HydrophobicContact CB-CD1 3.68Å; A211-L344 HydrophobicContact CB-CB 3.95Å; Y214-L344 HydrophobicContact CD1-CB 4.11Å; Y214-L344 VanDerWaalsContact CD1-O 3.23Å; Y214-L344 WeakPolarHBondContact CD1-O 3.41Å; Y214-L344 HydrophobicContact CG-CB 4.24Å; L342-L344 HydrophobicContact CB-CG 4.4Å; L342-L344 HydrophobicContact CD2-CD1 4.13Å; L342-L344 HydrophobicContact CD2-CG 4.35Å
345K87.9Confident90.2Very high156 Ų15680.1 Ų80.168%0.67843%0.431SS*.  trans-123125.7172-173172.8-178.4177.10109.6N347K345-N347 PolarHBondContact O-N 3.41Å
346A85.6Confident90.1Very high5 Ų579.5 Ų79.54%0.04142%0.424CS..  trans-76.8119.1177.400000109.8A211 L212 E215 Y348 L350A211-A346 HydrophobicContact CB-CB 4.04Å; L212-A346 HydrophobicContact CD2-CB 3.85Å; L212-A346 HydrophobicContact CG-CB 4.27Å; E215-A346 HydrophobicContact CG-CB 4.32Å; A346-Y348 VanDerWaalsContact C-N 3.31Å; A346-L350 HydrophobicContact CB-CD2 3.96Å; A346-L350 HydrophobicContact CB-CG 4.07Å
347N80.3Confident89.9Confident131 Ų13184.6 Ų84.670%0.70144%0.443SS*.SBendtrans-76-21178.9-66.9-25.7000113.1K345K345-N347 PolarHBondContact O-N 3.41Å
348Y81.7Confident90Very high182 Ų18281.3 Ų81.371%0.71441%0.411SS*.SBendtrans-144.3157.6-177-59.5-79.7000109.7L212 A346 L350L212-Y348 WeakPolarHBondContact CD2-O 3.38Å; A346-Y348 VanDerWaalsContact C-N 3.31Å; Y348-L350 VanDerWaalsContact C-N 3.35Å; Y348-L350 PolarHBondContact O-N 2.87Å
349G84.1Confident90.2Very high38 Ų3875 Ų7539%0.39238%0.384SS..  trans80.87.4170.800000115.5Q192 T195Q192-G349 PolarHBondContact NE2-O 2.98Å; Q192-G349 PolarHBondContact OE1-O 3.33Å; T195-G349 WeakPolarHBondContact CG2-O 3.38Å
350L92.3Very high90.3Very high67 Ų6777.8 Ų77.835%0.35141%0.407SS..  trans-66.3134.6170-71177000110.8E215 A346 Y348E215-L350 HydrophobicContact CB-CD2 3.89Å; E215-L350 HydrophobicContact CG-CD2 4Å; A346-L350 HydrophobicContact CB-CD2 3.96Å; A346-L350 HydrophobicContact CB-CG 4.07Å; Y348-L350 VanDerWaalsContact C-N 3.35Å; Y348-L350 PolarHBondContact O-N 2.87Å
351V95.3Very high90.7Very high2 Ų278.8 Ų78.81%0.01241%0.411CS..  trans-87.1120.1-176.9173.80000111.4K148 Q188 A191 Q192K148-V351 HydrophobicContact CD-CG1 3.84Å; K148-V351 HydrophobicContact CG-CG1 3.51Å; Q188-V351 PolarHBondContact NE2-O 3.03Å; A191-V351 HydrophobicContact CB-CB 4.39Å; A191-V351 HydrophobicContact CB-CG1 3.78Å; A191-V351 HydrophobicContact CB-CG2 4.05Å; Q192-V351 HydrophobicContact CB-CG2 4.43Å; Q192-V351 VanDerWaalsContact OE1-CG2 3.26Å
352E95.5Very high91Very high117 Ų11772.3 Ų72.355%0.54738%0.382SS..  trans-104146.3169.9-69.1-59.9147.700112K148K148-E352 WeakPolarHBondContact CE-O 3.18Å
353P97.4Very high91.3Very high19 Ų1976.1 Ų76.112%0.12341%0.414CS..PPolyproline II helixtrans-56140.2171.1-23.535.3000111.4A151 K155 Q188A151-P353 HydrophobicContact CB-CB 3.95Å; A151-P353 HydrophobicContact CB-CG 4.08Å; K155-P353 HydrophobicContact CD-CB 4.38Å; K155-P353 HydrophobicContact CD-CG 4.21Å; Q188-P353 HydrophobicContact CG-CG 4.38Å
354V97.3Very high91.7Very high55 Ų5571.8 Ų71.833%0.33339%0.394SS..PPolyproline II helixtrans-75.7127.1170.8168.50000108.1K148 I149 G152 F356K148-V354 HydrophobicContact CB-CG2 3.84Å; K148-V354 PolarHBondContact O-N 2.8Å; I149-V354 HydrophobicContact CG1-CB 4.46Å; G152-V354 WeakPolarHBondContact CA-O 3.29Å; V354-F356 PolarHBondContact O-N 2.82Å
355P96.3Very high92Very high124 Ų12470.6 Ų70.681%0.80539%0.387SS*.PPolyproline II helixtrans-53.4131.2175.6-26.935.3000111.1
356F95Very high92.2Very high37 Ų3765.2 Ų65.216%0.16237%0.367CS..  trans-117.7139.5177.1175.8-96.2000108.9I153 H156 V354 F358I153-F356 HydrophobicContact CB-CD1 4.47Å; I153-F356 HydrophobicContact CB-CG 4.36Å; I153-F356 HydrophobicContact CD1-CD2 4.35Å; I153-F356 HydrophobicContact CD1-CE2 4.4Å; I153-F356 HydrophobicContact CG1-CB 4.14Å; I153-F356 HydrophobicContact CG1-CD1 4.08Å; I153-F356 HydrophobicContact CG1-CD2 3.53Å; I153-F356 HydrophobicContact CG1-CE1 4.41Å; I153-F356 HydrophobicContact CG1-CE2 3.89Å; I153-F356 HydrophobicContact CG1-CG 3.63Å; I153-F356 HydrophobicContact CG1-CZ 4.31Å; H156-F356 HydrophobicContact CB-CB 4.28Å; H156-F356 HydrophobicContact CB-CD1 4Å; H156-F356 AromaticContact CD2-CD1 3.84Å; H156-F356 PolarHBondContact CE1-O 3.18Å; H156-F356 AromaticContact CG-CD1 3.98Å; H156-F356 VanDerWaalsContact CG-O 3.25Å; H156-F356 PolarHBondContact ND1-O 2.89Å; V354-F356 PolarHBondContact O-N 2.82Å; F356-F358 AromaticContact CE1-CD1 3.81Å; F356-F358 HydrophobicContact CE1-CD1 3.81Å; F356-F358 HydrophobicContact CE1-CD2 4.27Å; F356-F358 AromaticContact CE1-CE1 3.79Å; F356-F358 HydrophobicContact CE1-CE1 3.79Å; F356-F358 HydrophobicContact CE1-CE2 4.26Å; F356-F358 HydrophobicContact CE1-CG 4.07Å; F356-F358 HydrophobicContact CE1-CZ 4.04Å; F356-F358 AromaticContact CZ-CD1 3.92Å; F356-F358 HydrophobicContact CZ-CD1 3.92Å; F356-F358 HydrophobicContact CZ-CE1 4.03Å; F356-F358 HydrophobicContact CZ-CG 4.49Å
357E91.6Very high92.5Very high158 Ų15869 Ų6974%0.73839%0.391SS*.  trans-135.7145.6169.8-66.9-176.417200108.1
358F93.4Very high93Very high24 Ų2469.1 Ų69.111%0.10539%0.387CS..PPolyproline II helixtrans-67.1152.6171.2-74.4-68.1000110.5F65 L111 H156 L157 H161 F356F65-F358 HydrophobicContact CB-CD1 3.97Å; F65-F358 HydrophobicContact CD1-CD1 4.46Å; F65-F358 HydrophobicContact CD1-CE1 4.19Å; F65-F358 AromaticContact CD2-CD1 3.54Å; F65-F358 HydrophobicContact CD2-CD1 3.54Å; F65-F358 AromaticContact CD2-CE1 3.49Å; F65-F358 HydrophobicContact CD2-CE1 3.49Å; F65-F358 VanDerWaalsContact CD2-CE1 3.49Å; F65-F358 HydrophobicContact CE1-CE1 4.24Å; F65-F358 HydrophobicContact CE2-CD1 4.08Å; F65-F358 AromaticContact CE2-CE1 3.53Å; F65-F358 HydrophobicContact CE2-CE1 3.53Å; F65-F358 AromaticContact CG-CD1 3.76Å; F65-F358 HydrophobicContact CG-CD1 3.76Å; F65-F358 AromaticContact CG-CE1 3.84Å; F65-F358 HydrophobicContact CG-CE1 3.84Å; F65-F358 AromaticContact CZ-CE1 3.95Å; F65-F358 HydrophobicContact CZ-CE1 3.95Å; L111-F358 HydrophobicContact CD1-CD1 4.08Å; L111-F358 HydrophobicContact CD1-CD2 4.48Å; L111-F358 HydrophobicContact CD1-CE1 3.73Å; L111-F358 HydrophobicContact CD1-CE2 4.15Å; L111-F358 HydrophobicContact CD1-CG 4.43Å; L111-F358 HydrophobicContact CD1-CZ 3.75Å; L111-F358 HydrophobicContact CD2-CD2 4.3Å; L111-F358 HydrophobicContact CD2-CE2 3.87Å; L111-F358 HydrophobicContact CD2-CZ 4.18Å; L111-F358 HydrophobicContact CG-CE1 4.25Å; L111-F358 HydrophobicContact CG-CE2 3.98Å; L111-F358 HydrophobicContact CG-CZ 3.75Å; H156-F358 AromaticContact CD2-CD2 3.98Å; H156-F358 AromaticContact CD2-CE2 3.86Å; H156-F358 AromaticContact NE2-CD2 3.69Å; H156-F358 AromaticContact NE2-CE2 4Å; L157-F358 HydrophobicContact CD2-CE2 4.02Å; L157-F358 HydrophobicContact CD2-CZ 3.67Å; H161-F358 AromaticContact CD2-CE2 3.57Å; H161-F358 AromaticContact CE1-CD2 3.75Å; H161-F358 AromaticContact CE1-CE2 3.78Å; H161-F358 AromaticContact NE2-CD2 3.38Å; H161-F358 WeakPolarHBondContact NE2-CD2 3.24Å; H161-F358 AromaticContact NE2-CE2 3.29Å; H161-F358 VanDerWaalsContact NE2-CE2 3.29Å; H161-F358 WeakPolarHBondContact NE2-CE2 3.49Å; F356-F358 AromaticContact CE1-CD1 3.81Å; F356-F358 HydrophobicContact CE1-CD1 3.81Å; F356-F358 HydrophobicContact CE1-CD2 4.27Å; F356-F358 AromaticContact CE1-CE1 3.79Å; F356-F358 HydrophobicContact CE1-CE1 3.79Å; F356-F358 HydrophobicContact CE1-CE2 4.26Å; F356-F358 HydrophobicContact CE1-CG 4.07Å; F356-F358 HydrophobicContact CE1-CZ 4.04Å; F356-F358 AromaticContact CZ-CD1 3.92Å; F356-F358 HydrophobicContact CZ-CD1 3.92Å; F356-F358 HydrophobicContact CZ-CE1 4.03Å; F356-F358 HydrophobicContact CZ-CG 4.49Å
359P95.5Very high93.5Very high25 Ų2561.4 Ų61.416%0.16236%0.36CS..PPolyproline II helixtrans-59.2161.5176.331.2-42.2000111.1D62 F65 Q69D62-P359 HydrophobicContact CB-CB 4.15Å; D62-P359 HydrophobicContact CB-CG 4.37Å; D62-P359 WeakPolarHBondContact O-CG 3.5Å; F65-P359 HydrophobicContact CB-CG 3.82Å; Q69-P359 PolarHBondContact NE2-O 3.36Å; Q69-P359 PolarHBondContact OE1-O 2.91Å
360A93.4Very high93.9Very high85 Ų8560.8 Ų60.870%0.70235%0.347SS*.PPolyproline II helixtrans-61.3158.717000000111.6S66 N362S66-A360 WeakPolarHBondContact CB-O 3.44Å; A360-N362 PolarHBondContact O-N 3.31Å
361L93.8Very high93.8Very high49 Ų4960.9 Ų60.926%0.25736%0.358SS..PPolyproline II helixtrans-56.7136.3174.8-174.767.8000110.7Q69 G70 L75 A363 W365Q69-L361 HydrophobicContact CB-CD1 3.92Å; G70-L361 VanDerWaalsContact CA-CD1 3.5Å; L75-L361 HydrophobicContact CD2-CD2 3.22Å; L75-L361 HydrophobicContact CG-CD2 4.49Å; L361-A363 PolarHBondContact O-N 2.92Å; L361-W365 HydrophobicContact CD1-CB 4.22Å; L361-W365 HydrophobicContact CD1-CG 4.06Å; L361-W365 HydrophobicContact CD2-CB 3.88Å; L361-W365 HydrophobicContact CG-CB 3.98Å; L361-W365 HydrophobicContact CG-CG 4.34Å
362N95.5Very high93.7Very high27 Ų2761.1 Ų61.114%0.14436%0.36CS..PPolyproline II helixtrans-63.4136.4-179.5-164.4-77.6000111.2S66 L67 A360 H364 W365S66-N362 WeakPolarHBondContact O-CB 3.39Å; S66-N362 PolarHBondContact O-N 3.37Å; S66-N362 PolarHBondContact OG-ND2 3.35Å; S66-N362 VanDerWaalsContact OG-ND2 3.16Å; L67-N362 HydrophobicContact CD2-CB 3.84Å; L67-N362 HydrophobicContact CG-CB 4.25Å; A360-N362 PolarHBondContact O-N 3.31Å; N362-H364 PolarHBondContact O-N 3.16Å; N362-H364 WeakPolarHBondContact OD1-CB 3.5Å; N362-H364 VanDerWaalsContact OD1-CG 3.24Å; N362-H364 PolarHBondContact OD1-N 3.2Å; N362-H364 PolarHBondContact OD1-ND1 3.42Å; N362-W365 WeakPolarHBondContact O-CB 3.34Å; N362-W365 PolarHBondContact O-N 3.05Å
363A93.4Very high93.6Very high89 Ų8955.6 Ų55.674%0.73633%0.334SS*.THydrogen-bonded Turntrans-61.8-15.8-17900000114.4L361 W365L361-A363 PolarHBondContact O-N 2.92Å; A363-W365 PolarHBondContact O-N 2.92Å
364H92.1Very high93.2Very high81 Ų8157 Ų5738%0.37534%0.34SS..THydrogen-bonded Turntrans-66.5-21.7171.1-63.3153.4000113K31 I32 D35 N362 T366 T369K31-H364 PolarHBondContact NZ-CE1 3.09Å; K31-H364 PolarHBondContact NZ-NE2 3.49Å; I32-H364 HydrophobicContact CD1-CB 4.33Å; I32-H364 HydrophobicContact CG1-CB 4.06Å; D35-H364 IonicContact OD2-CE1 3.69Å; D35-H364 IonicContact OD2-ND1 3.62Å; N362-H364 PolarHBondContact O-N 3.16Å; N362-H364 WeakPolarHBondContact OD1-CB 3.5Å; N362-H364 VanDerWaalsContact OD1-CG 3.24Å; N362-H364 PolarHBondContact OD1-N 3.2Å; N362-H364 PolarHBondContact OD1-ND1 3.42Å; H364-T366 PolarHBondContact O-N 3.39Å; H364-T369 PolarHBondContact O-OG1 2.92Å; H364-T369 VanDerWaalsContact O-OG1 3.06Å
365W93.7Very high92.8Very high12 Ų1257.7 Ų57.75%0.04534%0.342CS..  trans-80.3110.7173.9-72.9113.1000110.3I32 L67 F71 L75 L84 L361 N362 A363 L370 F373I32-W365 HydrophobicContact CD1-CD2 4.05Å; I32-W365 HydrophobicContact CD1-CE3 3.97Å; I32-W365 HydrophobicContact CD1-CH2 4.45Å; I32-W365 HydrophobicContact CD1-CZ3 4.17Å; I32-W365 HydrophobicContact CG2-CH2 3.85Å; I32-W365 HydrophobicContact CG2-CZ2 3.42Å; I32-W365 VanDerWaalsContact CG2-CZ2 3.42Å; L67-W365 PolarHBondContact O-NE1 2.93Å; F71-W365 AromaticContact CD1-CH2 3.8Å; F71-W365 HydrophobicContact CD1-CH2 3.8Å; F71-W365 AromaticContact CD1-CZ2 3.74Å; F71-W365 HydrophobicContact CD1-CZ2 3.74Å; F71-W365 AromaticContact CE1-CH2 3.69Å; F71-W365 HydrophobicContact CE1-CH2 3.69Å; F71-W365 AromaticContact CE1-CZ2 3.75Å; F71-W365 HydrophobicContact CE1-CZ2 3.75Å; L75-W365 HydrophobicContact CD2-CB 4.37Å; L84-W365 HydrophobicContact CD1-CH2 3.7Å; L84-W365 HydrophobicContact CD1-CZ3 3.95Å; L361-W365 HydrophobicContact CD1-CB 4.22Å; L361-W365 HydrophobicContact CD1-CG 4.06Å; L361-W365 HydrophobicContact CD2-CB 3.88Å; L361-W365 HydrophobicContact CG-CB 3.98Å; L361-W365 HydrophobicContact CG-CG 4.34Å; N362-W365 WeakPolarHBondContact O-CB 3.34Å; N362-W365 PolarHBondContact O-N 3.05Å; A363-W365 PolarHBondContact O-N 2.92Å; W365-L370 HydrophobicContact CZ3-CD1 4.06Å; W365-F373 HydrophobicContact CH2-CD2 4.48Å; W365-F373 AromaticContact CH2-CE2 3.73Å; W365-F373 HydrophobicContact CH2-CE2 3.73Å; W365-F373 AromaticContact CH2-CZ 3.93Å; W365-F373 HydrophobicContact CH2-CZ 3.93Å; W365-F373 HydrophobicContact CZ3-CD2 4.13Å; W365-F373 AromaticContact CZ3-CE2 3.56Å; W365-F373 HydrophobicContact CZ3-CE2 3.56Å; W365-F373 HydrophobicContact CZ3-CZ 4.24Å
366T93Very high92.3Very high43 Ų4357.4 Ų57.426%0.26434%0.338SS..  trans-131.3160.8178.477.80000109.2L75 H364 E368 T369 L370L75-T366 VanDerWaalsContact CD1-O 3.32Å; L75-T366 WeakPolarHBondContact CD1-O 3.38Å; H364-T366 PolarHBondContact O-N 3.39Å; T366-E368 WeakPolarHBondContact CB-OE2 3.32Å; T366-E368 PolarHBondContact O-N 3.47Å; T366-E368 PolarHBondContact OG1-N 3.35Å; T366-E368 PolarHBondContact OG1-OE2 2.81Å; T366-T369 PolarHBondContact N-OG1 3.46Å; T366-T369 PolarHBondContact O-N 3.08Å; T366-T369 VanDerWaalsContact O-N 3.16Å; T366-T369 PolarHBondContact O-OG1 2.68Å; T366-T369 PolarHBondContact OG1-N 2.83Å; T366-T369 PolarHBondContact OG1-OG1 3.12Å; T366-L370 WeakPolarHBondContact O-CB 3.18Å; T366-L370 PolarHBondContact O-N 3.5Å
367P91.4Very high91.8Very high84 Ų8460.5 Ų60.555%0.54535%0.351SS..Hα-helixtrans-53.5-37.2176.2-2836.9000112.6A371P367-A371 WeakPolarHBondContact O-CB 3.4Å; P367-A371 PolarHBondContact O-N 3.03Å
368E91.5Very high91.1Very high133 Ų13358.7 Ų58.762%0.62134%0.338SS*.Hα-helixtrans-68.5-44.4179.1-5572.5-154.600112T366 A371 A372T366-E368 WeakPolarHBondContact CB-OE2 3.32Å; T366-E368 PolarHBondContact O-N 3.47Å; T366-E368 PolarHBondContact OG1-N 3.35Å; T366-E368 PolarHBondContact OG1-OE2 2.81Å; E368-A371 PolarHBondContact O-N 3.35Å; E368-A372 PolarHBondContact O-N 3.04Å; E368-A372 VanDerWaalsContact O-N 3.09Å
369T92.1Very high89.7Confident21 Ų2160.9 Ų60.913%0.12936%0.355CS..Hα-helixtrans-70.2-36.1178.651.90000111.6I32 H364 T366 A372 F373I32-T369 HydrophobicContact CD1-CG2 4.36Å; H364-T369 PolarHBondContact O-OG1 2.92Å; H364-T369 VanDerWaalsContact O-OG1 3.06Å; T366-T369 PolarHBondContact N-OG1 3.46Å; T366-T369 PolarHBondContact O-N 3.08Å; T366-T369 VanDerWaalsContact O-N 3.16Å; T366-T369 PolarHBondContact O-OG1 2.68Å; T366-T369 PolarHBondContact OG1-N 2.83Å; T366-T369 PolarHBondContact OG1-OG1 3.12Å; T369-A372 WeakPolarHBondContact O-CB 3.49Å; T369-A372 PolarHBondContact O-N 3.48Å; T369-F373 WeakPolarHBondContact O-CD2 3.36Å; T369-F373 WeakPolarHBondContact O-CE2 3.17Å
370L91.8Very high87.8Confident24 Ų2469.5 Ų69.513%0.12639%0.389CS..Hα-helixtrans-68.1-40.5173.7-176.561.6000111.7L75 K83 L84 W365 T366 A372 F373L75-L370 HydrophobicContact CB-CD2 4.37Å; L75-L370 HydrophobicContact CD1-CB 3.8Å; L75-L370 HydrophobicContact CD1-CD2 3.76Å; L75-L370 HydrophobicContact CD1-CG 4.4Å; L75-L370 HydrophobicContact CG-CD2 4.02Å; K83-L370 WeakPolarHBondContact CE-O 3.32Å; K83-L370 PolarHBondContact NZ-O 3.19Å; L84-L370 HydrophobicContact CD1-CD1 3.71Å; L84-L370 HydrophobicContact CG-CD1 4.08Å; W365-L370 HydrophobicContact CZ3-CD1 4.06Å; T366-L370 WeakPolarHBondContact O-CB 3.18Å; T366-L370 PolarHBondContact O-N 3.5Å; L370-A372 PolarHBondContact O-N 3.05Å; L370-F373 PolarHBondContact O-N 3.14Å
371A91.3Very high85.4Confident70 Ų7070.9 Ų70.958%0.57939%0.385SS*.Hα-helixtrans-61.3-32.817500000112P367 E368 F373P367-A371 WeakPolarHBondContact O-CB 3.4Å; P367-A371 PolarHBondContact O-N 3.03Å; E368-A371 PolarHBondContact O-N 3.35Å; A371-F373 PolarHBondContact O-N 3.36Å
372A92.9Very high83.1Confident7 Ų775 Ų756%0.05841%0.407CS..THydrogen-bonded Turntrans-67.5-10.7178.100000115V23 T25 T26 A29 E368 T369 L370 D374V23-A372 VanDerWaalsContact O-O 3.08Å; T25-A372 PolarHBondContact N-O 3.17Å; T25-A372 PolarHBondContact OG1-O 3.45Å; T26-A372 HydrophobicContact CG2-CB 3.54Å; T26-A372 WeakPolarHBondContact OG1-CB 3.4Å; A29-A372 HydrophobicContact CB-CB 3.98Å; E368-A372 PolarHBondContact O-N 3.04Å; E368-A372 VanDerWaalsContact O-N 3.09Å; T369-A372 WeakPolarHBondContact O-CB 3.49Å; T369-A372 PolarHBondContact O-N 3.48Å; L370-A372 PolarHBondContact O-N 3.05Å; A372-D374 PolarHBondContact O-N 3.3Å
373F92.4Very high80.4Confident1 Ų179.3 Ų79.30%0.00444%0.435CS..BIsolated β-bridgetrans-85.199.3168.5-68.3-94.7000110.6F20 V23 A24 A29 K83 L84 W365 T369 L370 A371F20-F373 HydrophobicContact CD2-CE1 4.21Å; F20-F373 HydrophobicContact CE2-CE1 4.5Å; V23-F373 HydrophobicContact CG1-CB 4.4Å; V23-F373 HydrophobicContact CG1-CD1 4.36Å; V23-F373 CarbonylContact O-C 3.56Å; V23-F373 WeakPolarHBondContact O-CA 3.17Å; A24-F373 HydrophobicContact CB-CE1 4.28Å; A29-F373 HydrophobicContact CB-CD2 4.13Å; A29-F373 HydrophobicContact CB-CE1 4.38Å; A29-F373 HydrophobicContact CB-CE2 3.66Å; A29-F373 HydrophobicContact CB-CZ 3.81Å; K83-F373 PolarHBondContact NZ-O 3.12Å; L84-F373 HydrophobicContact CD1-CB 4.2Å; L84-F373 HydrophobicContact CD1-CD1 4.07Å; L84-F373 HydrophobicContact CD1-CD2 3.9Å; L84-F373 HydrophobicContact CD1-CE1 4.43Å; L84-F373 HydrophobicContact CD1-CE2 4.28Å; L84-F373 HydrophobicContact CD1-CG 3.8Å; L84-F373 HydrophobicContact CD2-CB 3.65Å; L84-F373 HydrophobicContact CD2-CD1 4.19Å; L84-F373 HydrophobicContact CD2-CG 4.01Å; L84-F373 HydrophobicContact CG-CB 4.49Å; W365-F373 HydrophobicContact CH2-CD2 4.48Å; W365-F373 AromaticContact CH2-CE2 3.73Å; W365-F373 HydrophobicContact CH2-CE2 3.73Å; W365-F373 AromaticContact CH2-CZ 3.93Å; W365-F373 HydrophobicContact CH2-CZ 3.93Å; W365-F373 HydrophobicContact CZ3-CD2 4.13Å; W365-F373 AromaticContact CZ3-CE2 3.56Å; W365-F373 HydrophobicContact CZ3-CE2 3.56Å; W365-F373 HydrophobicContact CZ3-CZ 4.24Å; T369-F373 WeakPolarHBondContact O-CD2 3.36Å; T369-F373 WeakPolarHBondContact O-CE2 3.17Å; L370-F373 PolarHBondContact O-N 3.14Å; A371-F373 PolarHBondContact O-N 3.36Å
374D90.8Very high77.8Confident47 Ų4778.1 Ų78.125%0.25143%0.425SS..  trans-98.698.3-179.2-176.7-4.3000110.9V23 T25 A372 T376 K377V23-D374 PolarHBondContact O-N 3.37Å; T25-D374 HydrophobicContact CG2-CB 4.08Å; A372-D374 PolarHBondContact O-N 3.3Å; D374-T376 VanDerWaalsContact CG-OG1 3.31Å; D374-T376 PolarHBondContact O-N 3.05Å; D374-T376 VanDerWaalsContact O-N 3.17Å; D374-T376 WeakPolarHBondContact OD1-CB 3.48Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.32Å; D374-T376 PolarHBondContact OD1-N 3.47Å; D374-T376 PolarHBondContact OD1-OG1 3.31Å; D374-T376 PolarHBondContact OD2-OG1 2.84Å; D374-K377 HydrophobicContact CB-CD 4.13Å; D374-K377 HydrophobicContact CB-CG 4.29Å; D374-K377 PolarHBondContact O-N 3.18Å; D374-K377 VanDerWaalsContact O-N 3.12Å; D374-K377 WeakPolarHBondContact OD2-CE 3.48Å; D374-K377 WeakPolarHBondContact OD2-CG 3.23Å; D374-K377 IonicContact OD2-NZ 2.75Å
375L88.2Confident75.2Confident70 Ų7083.1 Ų83.137%0.36645%0.446SS..G310 helixtrans-64.9-17.4-178.2-61.4178.2000113.1V23 K83 L84 I87 K377 R378V23-L375 HydrophobicContact CG1-CD2 4.13Å; K83-L375 HydrophobicContact CB-CD1 4.24Å; K83-L375 HydrophobicContact CG-CD1 4.49Å; K83-L375 WeakPolarHBondContact O-CD1 3.45Å; L84-L375 HydrophobicContact CD2-CD2 4.03Å; I87-L375 HydrophobicContact CD1-CD2 3.82Å; I87-L375 HydrophobicContact CG1-CD2 4.2Å; L375-K377 PolarHBondContact O-N 3.21Å; L375-R378 WeakPolarHBondContact O-CB 3.18Å; L375-R378 PolarHBondContact O-N 2.71Å
376T86.3Confident72.5Confident118 Ų11888.4 Ų88.472%0.72448%0.481SS*.G310 helixtrans-72.5-20.1176.7740000112.6D374 R378D374-T376 VanDerWaalsContact CG-OG1 3.31Å; D374-T376 PolarHBondContact O-N 3.05Å; D374-T376 VanDerWaalsContact O-N 3.17Å; D374-T376 WeakPolarHBondContact OD1-CB 3.48Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.32Å; D374-T376 PolarHBondContact OD1-N 3.47Å; D374-T376 PolarHBondContact OD1-OG1 3.31Å; D374-T376 PolarHBondContact OD2-OG1 2.84Å; T376-R378 VanDerWaalsContact C-N 3.26Å; T376-R378 PolarHBondContact O-N 3.22Å
377K84.1Confident70.1Confident103 Ų10394.2 Ų94.245%0.44850%0.503SS..G310 helixtrans-87.79.1176.6-65-179.1-179.4173.50113.2G22 T25 D374 L375G22-K377 VanDerWaalsContact O-CB 3.26Å; G22-K377 WeakPolarHBondContact O-CB 3.5Å; G22-K377 VanDerWaalsContact O-CD 3.23Å; G22-K377 WeakPolarHBondContact O-CD 3.49Å; T25-K377 HydrophobicContact CG2-CD 3.8Å; D374-K377 HydrophobicContact CB-CD 4.13Å; D374-K377 HydrophobicContact CB-CG 4.29Å; D374-K377 PolarHBondContact O-N 3.18Å; D374-K377 VanDerWaalsContact O-N 3.12Å; D374-K377 WeakPolarHBondContact OD2-CE 3.48Å; D374-K377 WeakPolarHBondContact OD2-CG 3.23Å; D374-K377 IonicContact OD2-NZ 2.75Å; L375-K377 PolarHBondContact O-N 3.21Å
378R76.4Confident67.7Low120 Ų12095.8 Ų95.845%0.45351%0.513SS..SBendtrans-59.8129.2169.9-163.9173.8-173.2164.83.3107.8V23 L375 T376 K380V23-R378 HydrophobicContact CG2-CB 4.13Å; L375-R378 WeakPolarHBondContact O-CB 3.18Å; L375-R378 PolarHBondContact O-N 2.71Å; T376-R378 VanDerWaalsContact C-N 3.26Å; T376-R378 PolarHBondContact O-N 3.22Å; R378-K380 PolarHBondContact O-N 3.03Å
379P64.1Low65.7Low70 Ų7095.2 Ų95.246%0.45551%0.514SS..  trans-50.7129.8177.9-25.733000110.4Y21 D381Y21-P379 HydrophobicContact CD2-CG 4.32Å; Y21-P379 HydrophobicContact CG-CG 4.41Å; P379-D381 PolarHBondContact O-N 3.09Å
380K55.6Low64Low205 Ų205100.3 Ų100.389%0.89154%0.537SS*.SBendtrans-68.6-9.8-179-77.2-175.2176.9179.70113.5R378R378-K380 PolarHBondContact O-N 3.03Å
381D43.7Very low62.7Low114 Ų114105.7 Ų105.761%0.6157%0.566SS**  trans-117.294.8177.5-82.7-43.2000111.6P379 T383P379-D381 PolarHBondContact O-N 3.09Å; D381-T383 PolarHBondContact OD1-OG1 3.34Å
382D44.4Very low62.1Low136 Ų136103 Ų10373%0.72754%0.542SS*.  trans-111.544.8138.3-98-26.9000108.1A384D382-A384 PolarHBondContact O-N 3.35Å
383T39.4Very low61.3Low117 Ų117111 Ų11172%0.71858%0.576SS**  trans-74.43.5151.654.30000111.3D381 K385D381-T383 PolarHBondContact OD1-OG1 3.34Å; T383-K385 PolarHBondContact O-N 3.44Å; T383-K385 VanDerWaalsContact O-N 3.14Å
384A39.9Very low60.5Low65 Ų65114.3 Ų114.354%0.53760%0.597SS.*SBendtrans-55.1120.2164.900000108D382D382-A384 PolarHBondContact O-N 3.35Å
385K35.5Very low59.9Low185 Ų185114.2 Ų114.280%0.80460%0.596SS**  trans-32.3136.9164.2-73.9173.6175.7176.60108.8T383 K387T383-K385 PolarHBondContact O-N 3.44Å; T383-K385 VanDerWaalsContact O-N 3.14Å; K385-K387 PolarHBondContact O-N 2.86Å
386P38.5Very low59.2Low123 Ų123120 Ų12080%0.79962%0.619SS**  trans-43.6116.9176.816.9-29.3000107.2P388P386-P388 VanDerWaalsContact O-N 3.11Å
387K42.9Very low58.7Low166 Ų166117.7 Ų117.772%0.72260%0.599SS**  trans-46.3128.6171.6-86.2178.7177.2171.10104.6K385 D389K385-K387 PolarHBondContact O-N 2.86Å; K387-D389 PolarHBondContact O-N 2.96Å
388P41.2Very low57.9Low117 Ų117115 Ų11576%0.7659%0.592SS**  trans-46.6124.8-17920.3-32.1000106.4P386 E390P386-P388 VanDerWaalsContact O-N 3.11Å; P388-E390 PolarHBondContact O-N 2.91Å
389D49.5Very low56.9Low120 Ų120115.7 Ų115.764%0.64261%0.605SS**  trans-42.6110.3-173.4-91.8-46.6000107.5K91 K387 D391K91-D389 IonicContact NZ-OD1 3.57Å; K91-D389 PolarHBondContact NZ-OD1 3.06Å; K387-D389 PolarHBondContact O-N 2.96Å; D389-D391 VanDerWaalsContact C-N 3.3Å; D389-D391 PolarHBondContact O-N 2.83Å
390E55.3Low56.4Low128 Ų128117.7 Ų117.760%0.59861%0.611SS**  trans-60.4107.3171.5-97.9-173.9173.200104.9P388 V392P388-E390 PolarHBondContact O-N 2.91Å; E390-V392 PolarHBondContact O-N 3.16Å; E390-V392 VanDerWaalsContact O-N 3.1Å
391D63.7Low55.7Low138 Ų138116.2 Ų116.274%0.73861%0.605SS**  trans-54.9120.3-177.9-83.7-33.7000107.9D389 K393D389-D391 VanDerWaalsContact C-N 3.3Å; D389-D391 PolarHBondContact O-N 2.83Å; D391-K393 VanDerWaalsContact C-N 3.31Å; D391-K393 PolarHBondContact O-N 3.23Å
392V79Confident55.7Low13 Ų13112.9 Ų112.98%0.07959%0.589CS.*  trans-68.697.4175.3-178.30000106.9A12 A14 K91 T93 P101 E390A12-V392 VanDerWaalsContact C-CG1 3.49Å; A12-V392 HydrophobicContact CB-CG1 3.58Å; A14-V392 HydrophobicContact CB-CG2 4.32Å; K91-V392 HydrophobicContact CD-CG2 3.43Å; K91-V392 VanDerWaalsContact CD-CG2 3.43Å; K91-V392 HydrophobicContact CG-CG2 3.74Å; T93-V392 HydrophobicContact CG2-CB 4.19Å; T93-V392 HydrophobicContact CG2-CG1 3.77Å; P101-V392 HydrophobicContact CB-CG2 4.02Å; P101-V392 HydrophobicContact CG-CG2 4.29Å; E390-V392 PolarHBondContact O-N 3.16Å; E390-V392 VanDerWaalsContact O-N 3.1Å
393K76.9Confident55.8Low176 Ų176111.2 Ų111.277%0.76558%0.577SS**PPolyproline II helixtrans-63.7129.1179.4-65.5-176.9-175.91750108.6A12 D391 L395A12-K393 WeakPolarHBondContact CB-O 3.41Å; D391-K393 VanDerWaalsContact C-N 3.31Å; D391-K393 PolarHBondContact O-N 3.23Å; K393-L395 PolarHBondContact O-N 3.18Å
394P74.7Confident55.8Low70 Ų70115.7 Ų115.746%0.45559%0.586SS.*PPolyproline II helixtrans-53.5139.5172.3-25.434000110.6Q99 K396Q99-P394 HydrophobicContact CG-CG 3.99Å; P394-K396 PolarHBondContact O-N 3.4Å
395L78.9Confident55.9Low45 Ų45118 Ų11824%0.23659%0.589CS.*PPolyproline II helixtrans-61.3122.5168.9-81.4152.6000108.2L10 K11 A12 T48 K393 E397L10-L395 HydrophobicContact CB-CD1 3.72Å; L10-L395 HydrophobicContact CD1-CD1 4.42Å; K11-L395 WeakPolarHBondContact O-CD1 3.14Å; A12-L395 HydrophobicContact CB-CD1 4.37Å; A12-L395 HydrophobicContact CB-CG 4.34Å; T48-L395 HydrophobicContact CG2-CB 4.37Å; T48-L395 HydrophobicContact CG2-CD2 3.93Å; K393-L395 PolarHBondContact O-N 3.18Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 2.92Å
396K74Confident56.2Low191 Ų191110.5 Ų110.583%0.8356%0.56SS**  trans-73.491.4171.6-71.6-173.6179.3-177.10108T48 P394T48-K396 WeakPolarHBondContact CG2-O 3.19Å; P394-K396 PolarHBondContact O-N 3.4Å
397E74.7Confident56.1Low69 Ų69105.8 Ų105.832%0.32253%0.534SS..  trans-65.3135.5172.8-60.2-167.3163.800109.2L10 K124 L395 D399L10-E397 WeakPolarHBondContact CB-OE1 3.43Å; L10-E397 HydrophobicContact CD1-CG 4.35Å; L10-E397 VanDerWaalsContact CG-OE1 3.28Å; L10-E397 WeakPolarHBondContact CG-OE1 3.49Å; L10-E397 PolarHBondContact N-OE1 3.04Å; K124-E397 VanDerWaalsContact CE-OE1 3.29Å; K124-E397 WeakPolarHBondContact CE-OE1 3.39Å; K124-E397 IonicContact NZ-OE1 3.47Å; K124-E397 PolarHBondContact NZ-OE1 3.48Å; K124-E397 IonicContact NZ-OE2 3.47Å; K124-E397 PolarHBondContact NZ-OE2 3.26Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 2.92Å; E397-D399 PolarHBondContact O-N 3.39Å
398P67.3Low55.8Low46 Ų4699.4 Ų99.430%0.29951%0.51SS..  trans-60.1132.7176.222.7-30.9000109.6L50 I400L50-P398 HydrophobicContact CD1-CB 3.93Å; L50-P398 HydrophobicContact CD1-CG 4.46Å; L50-P398 HydrophobicContact CD2-CB 3.77Å; L50-P398 HydrophobicContact CD2-CG 3.43Å; L50-P398 VanDerWaalsContact CD2-CG 3.43Å; L50-P398 HydrophobicContact CG-CB 3.87Å; L50-P398 HydrophobicContact CG-CG 3.87Å; P398-I400 PolarHBondContact O-N 3.21Å
399D56.3Low55Low135 Ų135100 Ų10072%0.72250%0.503SS*.  trans-57.9109172.8-73.6-36.3000108.7E397 K401E397-D399 PolarHBondContact O-N 3.39Å; D399-K401 PolarHBondContact O-N 3.18Å
400I53.9Low53.9Low112 Ų112100.4 Ų100.457%0.57450%0.504SS*.  trans-71.687.6169.1-57.2174.6000105.4P398 P402P398-I400 PolarHBondContact O-N 3.21Å; I400-P402 VanDerWaalsContact O-CD 3.29Å; I400-P402 WeakPolarHBondContact O-CD 3.18Å; I400-P402 VanDerWaalsContact O-N 3.14Å
401K39.9Very low52.6Low175 Ų175101.5 Ų101.576%0.76153%0.526SS*.PPolyproline II helixtrans-56.1120.9175.3-75.7-172.6-178.6179.20107.8D399 Q403D399-K401 PolarHBondContact O-N 3.18Å; K401-Q403 PolarHBondContact O-N 3.2Å
402P43.6Very low52Low43 Ų4399.7 Ų99.728%0.27952%0.515SS..PPolyproline II helixtrans-57.5125.8172.9-16.827.4000108.9I400 S406 C408I400-P402 VanDerWaalsContact O-CD 3.29Å; I400-P402 WeakPolarHBondContact O-CD 3.18Å; I400-P402 VanDerWaalsContact O-N 3.14Å; P402-S406 VanDerWaalsContact CA-OG 3.28Å; P402-S406 WeakPolarHBondContact CA-OG 3.42Å; P402-S406 WeakPolarHBondContact CB-OG 3.33Å; P402-C408 HydrophobicContact CB-CB 3.88Å; P402-C408 WeakPolarHBondContact CB-O 3.45Å; P402-C408 HydrophobicContact CG-CB 3.66Å; P402-C408 WeakPolarHBondContact CG-O 3.15Å
403Q45.9Very low50.6Low101 Ų101104.3 Ų104.347%0.47254%0.538SS..PPolyproline II helixtrans-63.1146.6159.9-73.9-176.4-39.700107.8E133 K401 D405 S406E133-Q403 HydrophobicContact CG-CB 4.41Å; E133-Q403 WeakPolarHBondContact OE1-CB 3.46Å; K401-Q403 PolarHBondContact O-N 3.2Å; Q403-D405 PolarHBondContact O-N 3.23Å; Q403-S406 PolarHBondContact N-OG 3.42Å; Q403-S406 VanDerWaalsContact N-OG 3.13Å; Q403-S406 WeakPolarHBondContact O-CB 3.32Å; Q403-S406 PolarHBondContact O-N 2.75Å; Q403-S406 PolarHBondContact O-OG 3.1Å
404K40.6Very low49.2Very low211 Ų211100.3 Ų100.392%0.91753%0.525SS*.THydrogen-bonded Turntrans-53.6-22.2-161.6-82178.2173.9177.60114.5
405D41.5Very low47.7Very low113 Ų113102.1 Ų102.160%0.60453%0.53SS*.THydrogen-bonded Turntrans-1125.2178.7-69.2-38.6000114.9E133 Q403 G407E133-D405 PolarHBondContact OE1-N 2.88Å; Q403-D405 PolarHBondContact O-N 3.23Å; D405-G407 PolarHBondContact O-N 3.32Å
406S41.4Very low45.7Very low28 Ų28105.6 Ų105.620%0.19655%0.548CS..SBendtrans-77.74.6174.767.60000114.3H306 P402 Q403 C408H306-S406 PolarHBondContact CD2-O 2.99Å; H306-S406 PolarHBondContact CE1-O 2.82Å; H306-S406 PolarHBondContact NE2-O 2.98Å; P402-S406 VanDerWaalsContact CA-OG 3.28Å; P402-S406 WeakPolarHBondContact CA-OG 3.42Å; P402-S406 WeakPolarHBondContact CB-OG 3.33Å; Q403-S406 PolarHBondContact N-OG 3.42Å; Q403-S406 VanDerWaalsContact N-OG 3.13Å; Q403-S406 WeakPolarHBondContact O-CB 3.32Å; Q403-S406 PolarHBondContact O-N 2.75Å; Q403-S406 PolarHBondContact O-OG 3.1Å; S406-C408 PolarHBondContact O-N 3.22Å
407G36.6Very low43.8Very low24 Ų2499.9 Ų99.925%0.24753%0.529CS..  trans55.55.616900000117.8H306 D405 Q409H306-G407 VanDerWaalsContact NE2-C 3.34Å; D405-G407 PolarHBondContact O-N 3.32Å; G407-Q409 PolarHBondContact O-N 2.68Å
408C36.2Very low41.6Very low33 Ų33102.1 Ų102.122%0.22354%0.544CS..  trans-77.4110.4163.1-73.10000106.7A301 P402 S406A301-C408 WeakPolarHBondContact CB-SG 3.38Å; P402-C408 HydrophobicContact CB-CB 3.88Å; P402-C408 WeakPolarHBondContact CB-O 3.45Å; P402-C408 HydrophobicContact CG-CB 3.66Å; P402-C408 WeakPolarHBondContact CG-O 3.15Å; S406-C408 PolarHBondContact O-N 3.22Å
409Q25.7Very low39.6Very low130 Ų130106.5 Ų106.561%0.60756%0.563SS**  trans-104.1121.5161.1-76-176.1-26.500105.9G407 S411G407-Q409 PolarHBondContact O-N 2.68Å; Q409-S411 PolarHBondContact O-N 3.43Å
410I25.7Very low38.2Very low128 Ų128104.1 Ų104.166%0.65655%0.55SS*.  trans-64.3122.2169.5-56.4172.9000106
411S28Very low36.8Very low151 Ų151103.4 Ų103.4100%1.05655%0.547SS*.  trans-114.10161.8-54.40000107.4Q409Q409-S411 PolarHBondContact O-N 3.43Å

Retrieved 411 of 411 residues in 180.2 ms (Link to these results)

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