A0A087YDC0_POEFO Loading...

alcohol dehydrogenase (NADP(+))

Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols. Displays enzymatic activity towards endogenous metabolites such as aromatic and aliphatic aldehydes, ketones, monosaccharides and bile acids. Acts as an aldehyde-detoxification enzyme. Also acts as an inhibitor of protein S-nitrosylation by mediating degradation of S-nitroso-coenzyme A (S-nitroso-CoA), a cofactor required to S-nitrosylate proteins. Also acts as a S-nitroso-glutathione reductase by catalyzing the NADPH-dependent reduction of S-nitrosoglutathione. Displays no reductase activity towards retinoids.

AlphaFold DB , UniProt , Accession A0A087YDC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M60.3Low90.9Very high142 Ų14267.8 Ų67.870%0.738%0.382SS*.  01380-127172.7-85.900106.5Q254 T279M1-Q254 HydrophobicContact CE-CG 3.96Å; M1-Q254 HydrophobicContact SD-CB 4.34Å; M1-Q254 HydrophobicContact SD-CG 3.99Å; M1-T279 HydrophobicContact CE-CG2 4.16Å
2N80.3Confident91.4Very high107 Ų10773 Ų7357%0.57240%0.398SS*.  trans-67.7143.5176.2-67-13.8000109.3F4 L15N2-F4 HydrophobicContact CB-CD1 4.16Å; N2-F4 HydrophobicContact CB-CE1 3.86Å; N2-F4 HydrophobicContact CB-CE2 4.33Å; N2-F4 HydrophobicContact CB-CG 4.5Å; N2-F4 HydrophobicContact CB-CZ 3.95Å; N2-F4 PolarHBondContact O-N 2.7Å; N2-L15 VanDerWaalsContact O-CD1 3.31Å; N2-L15 WeakPolarHBondContact O-CD1 3.14Å
3D93.3Very high92Very high92 Ų9267.4 Ų67.449%0.49237%0.367SS..SBendtrans-87.914176.758.7-11.6000112.5L15 F276D3-L15 PolarHBondContact O-N 2.96Å; D3-F276 HydrophobicContact CB-CD1 4.14Å; D3-F276 HydrophobicContact CB-CD2 4.29Å; D3-F276 HydrophobicContact CB-CE1 3.91Å; D3-F276 HydrophobicContact CB-CE2 4.07Å; D3-F276 HydrophobicContact CB-CG 4.32Å; D3-F276 HydrophobicContact CB-CZ 3.87Å
4F97.4Very high92.5Very high44 Ų4464.5 Ų64.519%0.19335%0.353CS..EExtended strand (participates in β ladder)trans-138.9151.3178.960.9-94.1000112.2N2 V6 K12 M13N2-F4 HydrophobicContact CB-CD1 4.16Å; N2-F4 HydrophobicContact CB-CE1 3.86Å; N2-F4 HydrophobicContact CB-CE2 4.33Å; N2-F4 HydrophobicContact CB-CG 4.5Å; N2-F4 HydrophobicContact CB-CZ 3.95Å; N2-F4 PolarHBondContact O-N 2.7Å; F4-V6 HydrophobicContact CD2-CG2 3.97Å; F4-V6 HydrophobicContact CE2-CG2 3.75Å; F4-K12 HydrophobicContact CB-CB 4.2Å; F4-K12 HydrophobicContact CD1-CD 4.21Å; F4-K12 HydrophobicContact CD2-CB 3.89Å; F4-K12 HydrophobicContact CD2-CD 3.85Å; F4-K12 HydrophobicContact CD2-CG 3.67Å; F4-K12 HydrophobicContact CE1-CD 4.09Å; F4-K12 HydrophobicContact CE2-CD 3.71Å; F4-K12 HydrophobicContact CE2-CG 3.83Å; F4-K12 HydrophobicContact CG-CB 4.04Å; F4-K12 HydrophobicContact CG-CD 4.12Å; F4-K12 HydrophobicContact CG-CG 4.2Å; F4-K12 HydrophobicContact CZ-CD 3.85Å; F4-K12 HydrophobicContact CZ-CG 4.47Å; F4-M13 CarbonylContact C-O 2.96Å; F4-M13 VanDerWaalsContact CA-O 3.22Å; F4-M13 WeakPolarHBondContact CA-O 3.37Å; F4-M13 WeakPolarHBondContact CB-O 3.48Å
5A97.1Very high92.9Very high14 Ų1460.8 Ų60.812%0.11633%0.333CS..EExtended strand (participates in β ladder)trans-91.4151.816100000109.9K12 M13 L15 V205 V258A5-K12 WeakPolarHBondContact O-CA 3.36Å; A5-M13 PolarHBondContact N-O 3.11Å; A5-M13 PolarHBondContact O-N 3.02Å; A5-L15 HydrophobicContact CB-CD2 4.08Å; A5-V205 HydrophobicContact CB-CG1 3.83Å; A5-V205 HydrophobicContact CB-CG2 3.96Å; A5-V258 HydrophobicContact CB-CG2 4.03Å
6V97.4Very high93.2Very high84 Ų8457.3 Ų57.351%0.50931%0.313SS..EExtended strand (participates in β ladder)trans-102.8118.6173.6-177.50000107.8F4F4-V6 HydrophobicContact CD2-CG2 3.97Å; F4-V6 HydrophobicContact CE2-CG2 3.75Å
7L97.6Very high93.6Very high5 Ų553.9 Ų53.93%0.02630%0.295CS..PPolyproline II helixtrans-69.9160.9175.5-56.9-171.6000110.2T9 G10 R11 M13 F75 V181 V205L7-T9 PolarHBondContact O-N 3.36Å; L7-G10 WeakPolarHBondContact O-CA 3.3Å; L7-G10 PolarHBondContact O-N 3.09Å; L7-R11 HydrophobicContact CD1-CB 4.35Å; L7-R11 PolarHBondContact N-O 2.93Å; L7-M13 HydrophobicContact CD2-CB 4.04Å; L7-M13 HydrophobicContact CD2-SD 3.96Å; L7-M13 HydrophobicContact CG-CB 4.23Å; L7-F75 HydrophobicContact CD1-CE2 4.04Å; L7-F75 HydrophobicContact CD1-CZ 3.99Å; L7-V181 HydrophobicContact CD2-CG2 3.71Å; L7-V205 HydrophobicContact CD2-CB 3.96Å; L7-V205 HydrophobicContact CD2-CG1 4.49Å; L7-V205 HydrophobicContact CD2-CG2 3.8Å
8N93.3Very high93.8Very high71 Ų7151 Ų5138%0.3828%0.279SS..THydrogen-bonded Turntrans-61.2-12.9173.864.311000113.6G10 P179 T180N8-G10 VanDerWaalsContact C-N 3.34Å; N8-P179 PolarHBondContact ND2-O 2.84Å; N8-T180 WeakPolarHBondContact OD1-CG2 3.29Å
9T93Very high94.1Very high73 Ų7348.5 Ų48.545%0.44827%0.267SS..THydrogen-bonded Turntrans-85-2.5170.856.40000113.7L7 R11 S157 T180L7-T9 PolarHBondContact O-N 3.36Å; T9-R11 PolarHBondContact O-N 3.3Å; T9-S157 PolarHBondContact OG1-OG 3.48Å; T9-T180 HydrophobicContact CG2-CG2 3.99Å
10G94.9Very high94.3Very high52 Ų5246.1 Ų46.154%0.53625%0.253SS..SBendtrans79.8-7.9-173.400000114.5L7 N8L7-G10 WeakPolarHBondContact O-CA 3.3Å; L7-G10 PolarHBondContact O-N 3.09Å; N8-G10 VanDerWaalsContact C-N 3.34Å
11R95Very high94.3Very high62 Ų6247.9 Ų47.923%0.23426%0.256CS..  trans-66.6138.7176.9-164.5172.5-16990.63110.2L7 T9 F75 D107L7-R11 HydrophobicContact CD1-CB 4.35Å; L7-R11 PolarHBondContact N-O 2.93Å; T9-R11 PolarHBondContact O-N 3.3Å; R11-F75 HydrophobicContact CG-CE2 4.23Å; R11-D107 IonicContact CZ-OD1 3.96Å; R11-D107 IonicContact NE-OD1 3.07Å; R11-D107 PolarHBondContact NE-OD1 2.74Å; R11-D107 IonicContact NH2-OD1 3.11Å; R11-D107 PolarHBondContact NH2-OD1 2.74Å
12K97.6Very high95.7Very high130 Ų13044 Ų4457%0.56524%0.235SC*.EExtended strand (participates in β ladder)trans-85.6124.6174.6-63.3-179.7-179.3178.40109.4F4 A5F4-K12 HydrophobicContact CB-CB 4.2Å; F4-K12 HydrophobicContact CD1-CD 4.21Å; F4-K12 HydrophobicContact CD2-CB 3.89Å; F4-K12 HydrophobicContact CD2-CD 3.85Å; F4-K12 HydrophobicContact CD2-CG 3.67Å; F4-K12 HydrophobicContact CE1-CD 4.09Å; F4-K12 HydrophobicContact CE2-CD 3.71Å; F4-K12 HydrophobicContact CE2-CG 3.83Å; F4-K12 HydrophobicContact CG-CB 4.04Å; F4-K12 HydrophobicContact CG-CD 4.12Å; F4-K12 HydrophobicContact CG-CG 4.2Å; F4-K12 HydrophobicContact CZ-CD 3.85Å; F4-K12 HydrophobicContact CZ-CG 4.47Å; A5-K12 WeakPolarHBondContact O-CA 3.36Å
13M98.5Very high96Very high0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-110.7116.7175.9-176.7177.8-171.300108.7F4 A5 L7 L15 H42 F75 L108 V181 V258F4-M13 CarbonylContact C-O 2.96Å; F4-M13 VanDerWaalsContact CA-O 3.22Å; F4-M13 WeakPolarHBondContact CA-O 3.37Å; F4-M13 WeakPolarHBondContact CB-O 3.48Å; A5-M13 PolarHBondContact N-O 3.11Å; A5-M13 PolarHBondContact O-N 3.02Å; L7-M13 HydrophobicContact CD2-CB 4.04Å; L7-M13 HydrophobicContact CD2-SD 3.96Å; L7-M13 HydrophobicContact CG-CB 4.23Å; M13-L15 PolarHBondContact O-N 2.63Å; M13-H42 WeakPolarHBondContact CE-CE1 3.47Å; M13-F75 HydrophobicContact CB-CD2 4.25Å; M13-F75 HydrophobicContact CB-CE2 3.91Å; M13-F75 HydrophobicContact CB-CZ 4.22Å; M13-F75 HydrophobicContact CE-CE1 3.93Å; M13-F75 HydrophobicContact CE-CZ 4.37Å; M13-F75 HydrophobicContact CG-CD1 4.31Å; M13-F75 HydrophobicContact CG-CD2 4.28Å; M13-F75 HydrophobicContact CG-CE1 4.05Å; M13-F75 HydrophobicContact CG-CE2 4.02Å; M13-F75 HydrophobicContact CG-CG 4.43Å; M13-F75 HydrophobicContact CG-CZ 3.91Å; M13-F75 HydrophobicContact SD-CE1 4.21Å; M13-F75 HydrophobicContact SD-CZ 4.06Å; M13-L108 HydrophobicContact CE-CD2 3.91Å; M13-V181 HydrophobicContact CE-CG2 4.48Å; M13-V181 HydrophobicContact SD-CG2 3.89Å; M13-V258 HydrophobicContact CE-CG1 4.07Å; M13-V258 HydrophobicContact CG-CG2 4.25Å; M13-V258 HydrophobicContact SD-CG2 4.08Å
14P98.7Very high95.5Very high27 Ų2740.1 Ų40.118%0.17521%0.211CC..EExtended strand (participates in β ladder)trans-56135.5178.7-27.235.9000112.2I16 R41 H42 V258P14-I16 PolarHBondContact O-N 2.78Å; P14-R41 HydrophobicContact CG-CB 3.99Å; P14-H42 HydrophobicContact CB-CB 3.86Å; P14-H42 HydrophobicContact CG-CB 3.92Å; P14-H42 PolarHBondContact O-ND1 2.76Å; P14-V258 VanDerWaalsContact O-CG1 3.31Å; P14-V258 WeakPolarHBondContact O-CG1 3.47Å
15L98.6Very high94.4Very high9 Ų942.4 Ų42.45%0.04723%0.231CC..SBendtrans-67.6-18.6-178.9-76175.4000112.7N2 D3 A5 M13 T253 V258 T259 F276N2-L15 VanDerWaalsContact O-CD1 3.31Å; N2-L15 WeakPolarHBondContact O-CD1 3.14Å; D3-L15 PolarHBondContact O-N 2.96Å; A5-L15 HydrophobicContact CB-CD2 4.08Å; M13-L15 PolarHBondContact O-N 2.63Å; L15-T253 HydrophobicContact CB-CG2 3.94Å; L15-V258 HydrophobicContact CD2-CG2 3.98Å; L15-V258 CarbonylContact O-C 3.38Å; L15-V258 WeakPolarHBondContact O-CA 3.44Å; L15-T259 PolarHBondContact O-N 3.43Å; L15-F276 HydrophobicContact CB-CE1 4.25Å; L15-F276 HydrophobicContact CB-CZ 4.05Å; L15-F276 HydrophobicContact CD1-CE1 4.2Å
16I98.7Very high93.9Very high4 Ų444.9 Ų44.92%0.02126%0.258CS..BIsolated β-bridgetrans-119.4124.8173.6-63.1-76.1000108.6P14 Y40 L249 T253 T259 L273 V275 F276P14-I16 PolarHBondContact O-N 2.78Å; I16-Y40 HydrophobicContact CG2-CD1 4.09Å; I16-Y40 HydrophobicContact CG2-CE1 3.43Å; I16-Y40 VanDerWaalsContact CG2-CE1 3.43Å; I16-L249 HydrophobicContact CD1-CB 4.47Å; I16-T253 HydrophobicContact CD1-CG2 3.8Å; I16-T253 HydrophobicContact CG1-CG2 4.04Å; I16-T259 WeakPolarHBondContact CA-O 3.41Å; I16-T259 HydrophobicContact CD1-CG2 3.25Å; I16-T259 HydrophobicContact CG1-CG2 4.43Å; I16-L273 HydrophobicContact CB-CD1 3.95Å; I16-L273 HydrophobicContact CG2-CD1 3.69Å; I16-V275 HydrophobicContact CD1-CG2 3.77Å; I16-V275 HydrophobicContact CG1-CG2 3.82Å; I16-F276 HydrophobicContact CB-CE2 4.49Å; I16-F276 HydrophobicContact CG1-CE2 3.8Å; I16-F276 HydrophobicContact CG1-CZ 3.68Å
17G98.8Very high93.6Very high0 Ų045.8 Ų45.80%026%0.255CS..  trans-124.9163.9168.700000112.4H42 T259 I260 P261G17-H42 CarbonylContact C-O 3.56Å; G17-H42 WeakPolarHBondContact CA-O 3.4Å; G17-T259 PolarHBondContact N-O 2.89Å; G17-I260 VanDerWaalsContact O-CA 3.32Å; G17-I260 WeakPolarHBondContact O-CA 3.36Å; G17-P261 WeakPolarHBondContact O-CD 3.42Å
18L98.8Very high93.6Very high2 Ų245.6 Ų45.61%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-88.3118.3172.6-178.671.8000109.4V32 A35 Y40 H42 I43 D44 I269L18-V32 HydrophobicContact CD2-CG2 4.06Å; L18-A35 HydrophobicContact CB-CB 4.21Å; L18-A35 HydrophobicContact CD1-CB 4.45Å; L18-A35 HydrophobicContact CD2-CB 3.77Å; L18-A35 HydrophobicContact CG-CB 4.36Å; L18-Y40 HydrophobicContact CB-CD1 4.1Å; L18-Y40 HydrophobicContact CB-CE1 4.26Å; L18-H42 PolarHBondContact N-O 3.18Å; L18-I43 HydrophobicContact CB-CD1 3.89Å; L18-I43 HydrophobicContact CD2-CD1 4.33Å; L18-D44 PolarHBondContact O-N 3.46Å; L18-I269 HydrophobicContact CD1-CG1 4.29Å
19G98.5Very high93.8Very high4 Ų444.7 Ų44.74%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-76.3138.7167.700000111.3P261 K262G19-P261 PolarHBondContact N-O 2.96Å; G19-K262 VanDerWaalsContact O-CA 3.32Å; G19-K262 WeakPolarHBondContact O-CA 3.44Å; G19-K262 VanDerWaalsContact O-CB 3.27Å; G19-K262 WeakPolarHBondContact O-CB 3.42Å; G19-K262 WeakPolarHBondContact O-CG 3.11Å
20T98Very high94Very high0 Ų045 Ų450%024%0.243CC..  trans-113.50.7-176.461.70000114.6K22 S23 V28 V32 I43 D44 N51 I55T20-K22 PolarHBondContact O-N 3Å; T20-S23 WeakPolarHBondContact O-CB 3.37Å; T20-S23 PolarHBondContact O-N 3.18Å; T20-S23 VanDerWaalsContact O-N 3.12Å; T20-S23 PolarHBondContact O-OG 3.47Å; T20-V28 HydrophobicContact CG2-CG2 4.17Å; T20-V32 HydrophobicContact CG2-CG2 4.49Å; T20-I43 HydrophobicContact CG2-CG2 3.94Å; T20-D44 WeakPolarHBondContact CB-O 3.45Å; T20-D44 WeakPolarHBondContact CG2-O 3.36Å; T20-D44 PolarHBondContact N-O 2.77Å; T20-D44 PolarHBondContact OG1-O 3.25Å; T20-N51 PolarHBondContact O-ND2 3Å; T20-I55 HydrophobicContact CG2-CD1 3.82Å; T20-I55 HydrophobicContact CG2-CG1 4.5Å
21W93.9Very high94.2Very high83 Ų8342.5 Ų42.531%0.31422%0.217SC..THydrogen-bonded Turntrans-61.1133.3176.8-179.444.6000112.2S23 Y49 W219 K262 I298W21-S23 PolarHBondContact O-N 2.92Å; W21-Y49 HydrophobicContact CB-CD1 4.17Å; W21-Y49 HydrophobicContact CB-CD2 4.14Å; W21-Y49 HydrophobicContact CB-CE1 3.93Å; W21-Y49 HydrophobicContact CB-CE2 3.9Å; W21-Y49 HydrophobicContact CB-CG 4.3Å; W21-Y49 AromaticContact CD1-CD1 3.49Å; W21-Y49 VanDerWaalsContact CD1-CD1 3.49Å; W21-Y49 AromaticContact CD1-CE1 3.64Å; W21-Y49 HydrophobicContact CG-CD1 4.11Å; W21-Y49 AromaticContact CG-CE1 3.92Å; W21-Y49 HydrophobicContact CG-CE1 3.92Å; W21-W219 HydrophobicContact CH2-CH2 4.21Å; W21-W219 HydrophobicContact CZ2-CH2 4.49Å; W21-K262 WeakPolarHBondContact O-CD 3.34Å; W21-K262 WeakPolarHBondContact O-CE 3.35Å; W21-K262 WeakPolarHBondContact O-CG 3.34Å; W21-I298 HydrophobicContact CH2-CD1 4.22Å; W21-I298 HydrophobicContact CZ3-CD1 4.12Å
22K90.2Very high94.4Very high61 Ų6139.6 Ų39.627%0.26521%0.206SC..THydrogen-bonded Turntrans59.516.2-173.9-46.7178.4-174.5168.40114.9T20 E24 D216 R217 K262T20-K22 PolarHBondContact O-N 3Å; K22-E24 PolarHBondContact O-N 2.99Å; K22-D216 VanDerWaalsContact NZ-C 3.29Å; K22-D216 PolarHBondContact NZ-O 3.2Å; K22-D216 IonicContact NZ-OD1 2.94Å; K22-D216 PolarHBondContact NZ-OD1 3.12Å; K22-D216 IonicContact NZ-OD2 3.49Å; K22-R217 VanDerWaalsContact NZ-CA 3.29Å; K22-K262 PolarHBondContact O-NZ 3.09Å
23S87.1Confident94.4Very high4 Ų434.1 Ų34.13%0.02818%0.183CC..  trans-76.6103.4164.9-64.80000106.6T20 W21 N51 K262 V264T20-S23 WeakPolarHBondContact O-CB 3.37Å; T20-S23 PolarHBondContact O-N 3.18Å; T20-S23 VanDerWaalsContact O-N 3.12Å; T20-S23 PolarHBondContact O-OG 3.47Å; W21-S23 PolarHBondContact O-N 2.92Å; S23-N51 PolarHBondContact O-ND2 2.89Å; S23-K262 WeakPolarHBondContact OG-CE 3.41Å; S23-V264 WeakPolarHBondContact OG-CG1 3.47Å
24E81.7Confident94.4Very high113 Ų11337.1 Ų37.153%0.52819%0.194SC..  trans-56.9150-176.5-68.3172171.200111.6K22 G26 K27 V28K22-E24 PolarHBondContact O-N 2.99Å; E24-G26 PolarHBondContact O-N 3.27Å; E24-K27 HydrophobicContact CB-CD 4.47Å; E24-K27 PolarHBondContact O-N 2.85Å; E24-K27 IonicContact OE2-NZ 2.71Å; E24-K27 PolarHBondContact OE2-NZ 3.43Å; E24-V28 PolarHBondContact O-N 3.19Å
25P75.5Confident94.4Very high93 Ų9335.8 Ų35.860%0.60419%0.186SC*.THydrogen-bonded Turntrans-46.9136.9164.6-30.438.2000112.2K27 E54P25-K27 VanDerWaalsContact C-N 3.3Å; P25-K27 PolarHBondContact O-N 3.06Å; P25-E54 WeakPolarHBondContact CA-OE1 3.41Å; P25-E54 WeakPolarHBondContact CB-OE1 3.26Å
26G85.3Confident94.4Very high66 Ų6635.5 Ų35.568%0.6818%0.184SC*.THydrogen-bonded Turntrans84.3-10.8-174.700000115.2E24 E54E24-G26 PolarHBondContact O-N 3.27Å; G26-E54 VanDerWaalsContact N-CD 3.28Å; G26-E54 PolarHBondContact N-OE1 3.41Å; G26-E54 VanDerWaalsContact N-OE1 3.09Å; G26-E54 PolarHBondContact N-OE2 3.2Å
27K92.6Very high94.4Very high103 Ų10341.4 Ų41.445%0.44821%0.212SC..THydrogen-bonded Turntrans-113.4-30.2177.5-65.5177.3-175.61560113.3E24 P25 K29 A31 V264E24-K27 HydrophobicContact CB-CD 4.47Å; E24-K27 PolarHBondContact O-N 2.85Å; E24-K27 IonicContact OE2-NZ 2.71Å; E24-K27 PolarHBondContact OE2-NZ 3.43Å; P25-K27 VanDerWaalsContact C-N 3.3Å; P25-K27 PolarHBondContact O-N 3.06Å; K27-K29 PolarHBondContact O-N 3.41Å; K27-A31 PolarHBondContact O-N 3.27Å; K27-A31 VanDerWaalsContact O-N 3.16Å; K27-V264 HydrophobicContact CB-CB 4.46Å; K27-V264 HydrophobicContact CB-CG1 4.28Å
28V96.5Very high94.3Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-66.9-38.5-172.7730000112.3T20 E24 Q30 A31 V32 N51 E54 I55T20-V28 HydrophobicContact CG2-CG2 4.17Å; E24-V28 PolarHBondContact O-N 3.19Å; V28-Q30 PolarHBondContact O-N 2.97Å; V28-A31 PolarHBondContact O-N 2.94Å; V28-V32 HydrophobicContact CG2-CG2 4.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.31Å; V28-V32 PolarHBondContact O-N 3.03Å; V28-N51 HydrophobicContact CG1-CB 4.03Å; V28-E54 HydrophobicContact CG1-CB 3.48Å; V28-E54 VanDerWaalsContact CG1-CB 3.48Å; V28-E54 HydrophobicContact CG1-CG 4.43Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.37Å; V28-I55 HydrophobicContact CG1-CG1 4.13Å; V28-I55 HydrophobicContact CG2-CD1 4.03Å; V28-I55 HydrophobicContact CG2-CG1 3.65Å
29K97.8Very high94.3Very high53 Ų5344.5 Ų44.523%0.2324%0.241CC..Hα-helixtrans-54.6-53.7178.6-177.1-177.3179.4170.60111.1K27 A31 V32 L33 E54 E57 A58 E61K27-K29 PolarHBondContact O-N 3.41Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A31 PolarHBondContact O-N 3.43Å; K29-V32 PolarHBondContact O-N 3.46Å; K29-L33 PolarHBondContact O-N 3Å; K29-E54 HydrophobicContact CB-CB 4.41Å; K29-E57 HydrophobicContact CD-CB 4.23Å; K29-E57 IonicContact NZ-OE2 2.98Å; K29-A58 HydrophobicContact CG-CB 3.85Å; K29-E61 VanDerWaalsContact CE-CD 3.47Å; K29-E61 WeakPolarHBondContact CE-OE1 3.06Å; K29-E61 WeakPolarHBondContact CE-OE2 3.22Å; K29-E61 IonicContact NZ-OE1 3.56Å; K29-E61 PolarHBondContact NZ-OE1 2.7Å; K29-E61 IonicContact NZ-OE2 3.47Å
30Q98Very high94.3Very high79 Ų7944.4 Ų44.437%0.36924%0.24SC..Hα-helixtrans-65-37.6-179.6-169.861.15900112.2V28 V32 L33 W34V28-Q30 PolarHBondContact O-N 2.97Å; Q30-V32 VanDerWaalsContact C-N 3.34Å; Q30-V32 PolarHBondContact O-N 3.18Å; Q30-L33 PolarHBondContact O-N 3.44Å; Q30-W34 HydrophobicContact CG-CD2 3.8Å; Q30-W34 VanDerWaalsContact CG-CE2 3.45Å; Q30-W34 HydrophobicContact CG-CE3 4.02Å; Q30-W34 HydrophobicContact CG-CH2 3.63Å; Q30-W34 HydrophobicContact CG-CZ2 3.38Å; Q30-W34 HydrophobicContact CG-CZ3 3.93Å; Q30-W34 WeakPolarHBondContact O-CB 3.42Å; Q30-W34 PolarHBondContact O-N 3.29Å
31A98.4Very high94.3Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-62.7-40175.900000112.5K27 V28 K29 A35 V264 I269K27-A31 PolarHBondContact O-N 3.27Å; K27-A31 VanDerWaalsContact O-N 3.16Å; V28-A31 PolarHBondContact O-N 2.94Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A31 PolarHBondContact O-N 3.43Å; A31-A35 WeakPolarHBondContact O-CB 3.48Å; A31-A35 PolarHBondContact O-N 3.29Å; A31-V264 HydrophobicContact CB-CB 4.37Å; A31-V264 HydrophobicContact CB-CG1 4.13Å; A31-I269 HydrophobicContact CB-CD1 3.97Å
32V98.5Very high94.5Very high0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-65.6-45175.6171.90000110.8L18 T20 V28 K29 Q30 A35 L36 I43 I55 A58 L59L18-V32 HydrophobicContact CD2-CG2 4.06Å; T20-V32 HydrophobicContact CG2-CG2 4.49Å; V28-V32 HydrophobicContact CG2-CG2 4.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.31Å; V28-V32 PolarHBondContact O-N 3.03Å; K29-V32 PolarHBondContact O-N 3.46Å; Q30-V32 VanDerWaalsContact C-N 3.34Å; Q30-V32 PolarHBondContact O-N 3.18Å; V32-A35 PolarHBondContact O-N 3.41Å; V32-L36 HydrophobicContact CG1-CD1 3.8Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CG 3.31Å; V32-L36 PolarHBondContact O-N 3.14Å; V32-I43 HydrophobicContact CG1-CD1 4.32Å; V32-I43 HydrophobicContact CG2-CG2 4.44Å; V32-I55 HydrophobicContact CG2-CG1 4.17Å; V32-I55 HydrophobicContact CG2-CG2 4.29Å; V32-A58 HydrophobicContact CB-CB 3.86Å; V32-A58 HydrophobicContact CG1-CB 3.74Å; V32-L59 HydrophobicContact CG1-CD2 4.32Å
33L98.4Very high95Very high16 Ų1641.4 Ų41.48%0.08423%0.226CC..Hα-helixtrans-58.7-52.7176.1-69.4172.8000111.4K29 Q30 A35 L36 E37 A58 E61 I62K29-L33 PolarHBondContact O-N 3Å; Q30-L33 PolarHBondContact O-N 3.44Å; L33-A35 VanDerWaalsContact C-N 3.25Å; L33-A35 PolarHBondContact O-N 3.12Å; L33-L36 PolarHBondContact O-N 2.88Å; L33-L36 VanDerWaalsContact O-N 3.14Å; L33-E37 WeakPolarHBondContact O-CB 3.09Å; L33-E37 VanDerWaalsContact O-CG 3.26Å; L33-E37 WeakPolarHBondContact O-CG 3.46Å; L33-E37 PolarHBondContact O-N 2.99Å; L33-A58 HydrophobicContact CD2-CB 4.16Å; L33-A58 HydrophobicContact CG-CB 4.02Å; L33-E61 HydrophobicContact CD2-CB 4.39Å; L33-I62 HydrophobicContact CD2-CB 4.3Å
34W98.5Very high95.5Very high62 Ų6241.3 Ų41.324%0.23523%0.226CC..Hα-helixtrans-56.8-38.9177.2-72.2-29.8000113Q30 A38 V264 E266 I269Q30-W34 HydrophobicContact CG-CD2 3.8Å; Q30-W34 VanDerWaalsContact CG-CE2 3.45Å; Q30-W34 HydrophobicContact CG-CE3 4.02Å; Q30-W34 HydrophobicContact CG-CH2 3.63Å; Q30-W34 HydrophobicContact CG-CZ2 3.38Å; Q30-W34 HydrophobicContact CG-CZ3 3.93Å; Q30-W34 WeakPolarHBondContact O-CB 3.42Å; Q30-W34 PolarHBondContact O-N 3.29Å; W34-A38 WeakPolarHBondContact O-CB 3.23Å; W34-A38 PolarHBondContact O-N 3.11Å; W34-V264 WeakPolarHBondContact CZ3-O 3.46Å; W34-E266 HydrophobicContact CB-CG 4.27Å; W34-E266 HydrophobicContact CD2-CB 3.72Å; W34-E266 HydrophobicContact CD2-CG 3.73Å; W34-E266 HydrophobicContact CE3-CB 3.7Å; W34-E266 HydrophobicContact CE3-CG 4.21Å; W34-E266 HydrophobicContact CG-CB 4.28Å; W34-E266 HydrophobicContact CG-CG 3.78Å; W34-E266 HydrophobicContact CH2-CB 4.21Å; W34-E266 HydrophobicContact CZ2-CB 4.21Å; W34-E266 HydrophobicContact CZ3-CB 3.96Å; W34-I269 HydrophobicContact CB-CD1 4.36Å; W34-I269 HydrophobicContact CE3-CD1 4.13Å
35A98.6Very high96.3Very high0 Ų036 Ų360%020%0.201CC..Hα-helixtrans-65.4-49.617700000111.2L18 A31 V32 L33 E37 A38 G39 Y40 I269L18-A35 HydrophobicContact CB-CB 4.21Å; L18-A35 HydrophobicContact CD1-CB 4.45Å; L18-A35 HydrophobicContact CD2-CB 3.77Å; L18-A35 HydrophobicContact CG-CB 4.36Å; A31-A35 WeakPolarHBondContact O-CB 3.48Å; A31-A35 PolarHBondContact O-N 3.29Å; V32-A35 PolarHBondContact O-N 3.41Å; L33-A35 VanDerWaalsContact C-N 3.25Å; L33-A35 PolarHBondContact O-N 3.12Å; A35-E37 VanDerWaalsContact C-N 3.35Å; A35-E37 PolarHBondContact O-N 3.35Å; A35-A38 PolarHBondContact O-N 3.02Å; A35-G39 PolarHBondContact O-N 3.35Å; A35-G39 VanDerWaalsContact O-N 3.17Å; A35-Y40 HydrophobicContact CB-CD1 4.4Å; A35-Y40 HydrophobicContact CB-CD2 3.76Å; A35-Y40 HydrophobicContact CB-CE2 4.32Å; A35-Y40 HydrophobicContact CB-CG 3.8Å; A35-Y40 VanDerWaalsContact O-CB 3.29Å; A35-Y40 WeakPolarHBondContact O-CB 3.38Å; A35-Y40 WeakPolarHBondContact O-CD2 3Å; A35-Y40 PolarHBondContact O-N 2.86Å; A35-I269 HydrophobicContact CB-CG2 3.72Å
36L98.5Very high97.4Very high2 Ų231.5 Ų31.51%0.0117%0.172CC..Hα-helixtrans-64.7-39.5-178.7-66.9172.7000111.9V32 L33 G39 Y40 R41 I43 L59 I62 L69 V74V32-L36 HydrophobicContact CG1-CD1 3.8Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CG 3.31Å; V32-L36 PolarHBondContact O-N 3.14Å; L33-L36 PolarHBondContact O-N 2.88Å; L33-L36 VanDerWaalsContact O-N 3.14Å; L36-G39 PolarHBondContact O-N 2.98Å; L36-Y40 WeakPolarHBondContact CD2-O 3.5Å; L36-R41 PolarHBondContact O-NH1 3.15Å; L36-I43 HydrophobicContact CD2-CD1 4.09Å; L36-I43 HydrophobicContact CD2-CG1 4.32Å; L36-I43 HydrophobicContact CG-CD1 4.34Å; L36-L59 HydrophobicContact CD1-CD2 4.06Å; L36-I62 HydrophobicContact CB-CD1 3.75Å; L36-I62 HydrophobicContact CD1-CD1 4.42Å; L36-I62 HydrophobicContact CD1-CG2 3.53Å; L36-L69 HydrophobicContact CB-CD1 3.98Å; L36-L69 HydrophobicContact CD2-CD1 4.24Å; L36-V74 HydrophobicContact CD2-CG1 3.88Å; L36-V74 HydrophobicContact CD2-CG2 4.07Å
37E97.9Very high98.1Very high128 Ų12830.5 Ų30.560%0.59816%0.157SC*.Hα-helixtrans-63.1-39.3172.2-71.7168.9177.900112.3L33 A35 G39 I62L33-E37 WeakPolarHBondContact O-CB 3.09Å; L33-E37 VanDerWaalsContact O-CG 3.26Å; L33-E37 WeakPolarHBondContact O-CG 3.46Å; L33-E37 PolarHBondContact O-N 2.99Å; A35-E37 VanDerWaalsContact C-N 3.35Å; A35-E37 PolarHBondContact O-N 3.35Å; E37-G39 PolarHBondContact O-N 3.41Å; E37-I62 HydrophobicContact CG-CD1 4.43Å
38A97.8Very high98.3Very high35 Ų3527.5 Ų27.529%0.28915%0.146SC..Hα-helixtrans-70.6-12.1176.600000113.6W34 A35 Y40 K270 L273W34-A38 WeakPolarHBondContact O-CB 3.23Å; W34-A38 PolarHBondContact O-N 3.11Å; A35-A38 PolarHBondContact O-N 3.02Å; A38-Y40 HydrophobicContact CB-CD2 4.49Å; A38-K270 HydrophobicContact CB-CG 3.84Å; A38-L273 VanDerWaalsContact O-CD2 3.24Å; A38-L273 WeakPolarHBondContact O-CD2 3.33Å
39G98.1Very high98.3Very high33 Ų3329.6 Ų29.634%0.3415%0.154SC..THydrogen-bonded Turntrans110.95.6178.400000115.1A35 L36 E37 R41A35-G39 PolarHBondContact O-N 3.35Å; A35-G39 VanDerWaalsContact O-N 3.17Å; L36-G39 PolarHBondContact O-N 2.98Å; E37-G39 PolarHBondContact O-N 3.41Å; G39-R41 PolarHBondContact O-N 3.48Å
40Y98.7Very high98.3Very high2 Ų230 Ų301%0.00817%0.174CC..  trans-61.4140.7170.9-75.8-112.7000109.8I16 L18 A35 L36 A38 I269 N272 L273I16-Y40 HydrophobicContact CG2-CD1 4.09Å; I16-Y40 HydrophobicContact CG2-CE1 3.43Å; I16-Y40 VanDerWaalsContact CG2-CE1 3.43Å; L18-Y40 HydrophobicContact CB-CD1 4.1Å; L18-Y40 HydrophobicContact CB-CE1 4.26Å; A35-Y40 HydrophobicContact CB-CD1 4.4Å; A35-Y40 HydrophobicContact CB-CD2 3.76Å; A35-Y40 HydrophobicContact CB-CE2 4.32Å; A35-Y40 HydrophobicContact CB-CG 3.8Å; A35-Y40 VanDerWaalsContact O-CB 3.29Å; A35-Y40 WeakPolarHBondContact O-CB 3.38Å; A35-Y40 WeakPolarHBondContact O-CD2 3Å; A35-Y40 PolarHBondContact O-N 2.86Å; L36-Y40 WeakPolarHBondContact CD2-O 3.5Å; A38-Y40 HydrophobicContact CB-CD2 4.49Å; Y40-I269 HydrophobicContact CD2-CG2 4.37Å; Y40-I269 HydrophobicContact CE2-CG2 3.78Å; Y40-I269 VanDerWaalsContact CE2-O 3.24Å; Y40-I269 WeakPolarHBondContact CE2-O 3.27Å; Y40-I269 PolarHBondContact OH-O 3.24Å; Y40-N272 WeakPolarHBondContact OH-CB 3.39Å; Y40-L273 HydrophobicContact CD1-CD1 4.49Å; Y40-L273 HydrophobicContact CD2-CB 4.32Å; Y40-L273 HydrophobicContact CD2-CD1 4.11Å; Y40-L273 HydrophobicContact CD2-CD2 3.8Å; Y40-L273 HydrophobicContact CD2-CG 4.31Å; Y40-L273 HydrophobicContact CE1-CD1 4.46Å; Y40-L273 HydrophobicContact CE2-CB 3.66Å; Y40-L273 HydrophobicContact CE2-CD1 4.08Å; Y40-L273 HydrophobicContact CE2-CD2 3.99Å; Y40-L273 HydrophobicContact CE2-CG 4.13Å; Y40-L273 HydrophobicContact CG-CD1 4.32Å
41R98.6Very high98.3Very high80 Ų8026.4 Ų26.430%0.30216%0.157SC..  trans-12920.9173.4-64.3-61.5177.9-93.7-2111.5P14 L36 G39 D73 F75P14-R41 HydrophobicContact CG-CB 3.99Å; L36-R41 PolarHBondContact O-NH1 3.15Å; G39-R41 PolarHBondContact O-N 3.48Å; R41-D73 WeakPolarHBondContact CB-O 3.49Å; R41-D73 VanDerWaalsContact CD-O 3.31Å; R41-D73 WeakPolarHBondContact CD-O 3.47Å; R41-F75 WeakPolarHBondContact O-CB 3.44Å; R41-F75 PolarHBondContact O-N 3.18Å
42H98.9Very high98.3Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-144.4124.6177.8174.9-163.5000110M13 P14 G17 L18 F75 T77M13-H42 WeakPolarHBondContact CE-CE1 3.47Å; P14-H42 HydrophobicContact CB-CB 3.86Å; P14-H42 HydrophobicContact CG-CB 3.92Å; P14-H42 PolarHBondContact O-ND1 2.76Å; G17-H42 CarbonylContact C-O 3.56Å; G17-H42 WeakPolarHBondContact CA-O 3.4Å; L18-H42 PolarHBondContact N-O 3.18Å; H42-F75 CarbonylContact C-O 3.54Å; H42-F75 VanDerWaalsContact CA-O 3.22Å; H42-F75 WeakPolarHBondContact CA-O 3.16Å; H42-F75 HydrophobicContact CB-CB 4.23Å; H42-F75 AromaticContact CD2-CD1 3.79Å; H42-F75 PolarHBondContact CD2-O 2.62Å; H42-T77 PolarHBondContact NE2-OG1 2.8Å
43I98.9Very high98.3Very high0 Ų029.9 Ų29.90%018%0.178CC..EExtended strand (participates in β ladder)trans-122128.3175.3-48.7-63.8000108.9L18 T20 V32 L36 V74 F75 I76 T77L18-I43 HydrophobicContact CB-CD1 3.89Å; L18-I43 HydrophobicContact CD2-CD1 4.33Å; T20-I43 HydrophobicContact CG2-CG2 3.94Å; V32-I43 HydrophobicContact CG1-CD1 4.32Å; V32-I43 HydrophobicContact CG2-CG2 4.44Å; L36-I43 HydrophobicContact CD2-CD1 4.09Å; L36-I43 HydrophobicContact CD2-CG1 4.32Å; L36-I43 HydrophobicContact CG-CD1 4.34Å; I43-V74 HydrophobicContact CG1-CG1 4.38Å; I43-F75 PolarHBondContact N-O 3.28Å; I43-I76 HydrophobicContact CB-CD1 3.85Å; I43-I76 HydrophobicContact CG1-CD1 3.94Å; I43-T77 PolarHBondContact O-N 3.38Å
44D98.9Very high98.3Very high3 Ų331.1 Ų31.12%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-103.3118.8175.7176.2-91.9000110.7L18 T20 K79 Q183 I260L18-D44 PolarHBondContact O-N 3.46Å; T20-D44 WeakPolarHBondContact CB-O 3.45Å; T20-D44 WeakPolarHBondContact CG2-O 3.36Å; T20-D44 PolarHBondContact N-O 2.77Å; T20-D44 PolarHBondContact OG1-O 3.25Å; D44-K79 IonicContact OD1-NZ 3.14Å; D44-K79 PolarHBondContact OD1-NZ 3.03Å; D44-K79 IonicContact OD2-NZ 2.73Å; D44-K79 PolarHBondContact OD2-NZ 2.99Å; D44-Q183 PolarHBondContact OD2-NE2 3.1Å; D44-I260 HydrophobicContact CB-CB 4.25Å; D44-I260 HydrophobicContact CB-CD1 3.82Å; D44-I260 HydrophobicContact CB-CG2 3.98Å; D44-I260 VanDerWaalsContact CG-CD1 3.4Å
45C98.8Very high98.3Very high0 Ų028.1 Ų28.10%017%0.172CC..  trans-117.2173.7-178-51.50000110.8E52 I55 T77 K79C45-E52 HydrophobicContact CB-CG 4.41Å; C45-I55 HydrophobicContact CB-CD1 4.46Å; C45-T77 WeakPolarHBondContact CA-O 3.24Å; C45-T77 VanDerWaalsContact CB-O 3.22Å; C45-T77 WeakPolarHBondContact CB-O 3.17Å; C45-T77 PolarHBondContact N-O 2.62Å; C45-K79 PolarHBondContact O-NZ 3.22Å
46A98.7Very high98.3Very high0 Ų028.1 Ų28.10%017%0.172CC..  trans-162.9143.8160.500000108.9I48 Y49 K79A46-I48 HydrophobicContact CB-CG2 4.01Å; A46-I48 PolarHBondContact O-N 3.2Å; A46-I48 VanDerWaalsContact O-N 3.15Å; A46-Y49 HydrophobicContact CB-CD1 3.9Å; A46-Y49 HydrophobicContact CB-CD2 3.74Å; A46-Y49 HydrophobicContact CB-CE1 3.69Å; A46-Y49 HydrophobicContact CB-CE2 3.53Å; A46-Y49 HydrophobicContact CB-CG 3.9Å; A46-Y49 VanDerWaalsContact CB-CZ 3.47Å; A46-Y49 WeakPolarHBondContact O-CB 3.39Å; A46-Y49 PolarHBondContact O-N 2.92Å; A46-K79 HydrophobicContact CB-CB 3.88Å; A46-K79 HydrophobicContact CB-CD 3.96Å; A46-K79 HydrophobicContact CB-CG 3.86Å
47A98.2Very high98.3Very high44 Ų4431.4 Ų31.436%0.36419%0.187SC..G310 helixtrans-52.8-39.8176.400000112.6Y49 G50 E52A47-Y49 PolarHBondContact O-N 3.39Å; A47-G50 PolarHBondContact O-N 3.4Å; A47-G50 VanDerWaalsContact O-N 3.11Å; A47-E52 WeakPolarHBondContact CA-OE2 3.24Å
48I97.8Very high98.3Very high41 Ų4125.3 Ų25.321%0.2116%0.158CC..G310 helixtrans-66.3-16.3-179.3-16855.9000114.2A46 G50 W81 H112 P123 F124A46-I48 HydrophobicContact CB-CG2 4.01Å; A46-I48 PolarHBondContact O-N 3.2Å; A46-I48 VanDerWaalsContact O-N 3.15Å; I48-G50 PolarHBondContact O-N 3.34Å; I48-W81 HydrophobicContact CB-CB 4.49Å; I48-W81 HydrophobicContact CB-CD2 3.66Å; I48-W81 HydrophobicContact CB-CE3 3.63Å; I48-W81 HydrophobicContact CB-CG 4.04Å; I48-W81 HydrophobicContact CB-CZ3 4.15Å; I48-W81 HydrophobicContact CD1-CD2 3.89Å; I48-W81 HydrophobicContact CD1-CG 4.19Å; I48-W81 HydrophobicContact CD1-CZ2 3.95Å; I48-W81 HydrophobicContact CG1-CD2 3.61Å; I48-W81 HydrophobicContact CG1-CE3 3.73Å; I48-W81 HydrophobicContact CG1-CG 4.26Å; I48-W81 HydrophobicContact CG1-CH2 3.9Å; I48-W81 HydrophobicContact CG1-CZ2 3.79Å; I48-W81 HydrophobicContact CG1-CZ3 3.87Å; I48-W81 HydrophobicContact CG2-CD2 4.19Å; I48-W81 HydrophobicContact CG2-CE3 3.6Å; I48-W81 HydrophobicContact CG2-CZ3 3.86Å; I48-H112 VanDerWaalsContact CG2-CE1 3.41Å; I48-H112 WeakPolarHBondContact CG2-CE1 3.32Å; I48-P123 HydrophobicContact CD1-CB 3.51Å; I48-P123 HydrophobicContact CD1-CG 4.36Å; I48-F124 HydrophobicContact CD1-CE2 3.91Å; I48-F124 HydrophobicContact CD1-CZ 4.03Å; I48-F124 HydrophobicContact CG1-CZ 4.26Å
49Y97.1Very high98.3Very high43 Ų4323.7 Ų23.717%0.16915%0.145CC..G310 helixtrans-73.2-14.7176.5-57.3-15.6000111.9W21 A46 A47 N51 K79 H112W21-Y49 HydrophobicContact CB-CD1 4.17Å; W21-Y49 HydrophobicContact CB-CD2 4.14Å; W21-Y49 HydrophobicContact CB-CE1 3.93Å; W21-Y49 HydrophobicContact CB-CE2 3.9Å; W21-Y49 HydrophobicContact CB-CG 4.3Å; W21-Y49 AromaticContact CD1-CD1 3.49Å; W21-Y49 VanDerWaalsContact CD1-CD1 3.49Å; W21-Y49 AromaticContact CD1-CE1 3.64Å; W21-Y49 HydrophobicContact CG-CD1 4.11Å; W21-Y49 AromaticContact CG-CE1 3.92Å; W21-Y49 HydrophobicContact CG-CE1 3.92Å; A46-Y49 HydrophobicContact CB-CD1 3.9Å; A46-Y49 HydrophobicContact CB-CD2 3.74Å; A46-Y49 HydrophobicContact CB-CE1 3.69Å; A46-Y49 HydrophobicContact CB-CE2 3.53Å; A46-Y49 HydrophobicContact CB-CG 3.9Å; A46-Y49 VanDerWaalsContact CB-CZ 3.47Å; A46-Y49 WeakPolarHBondContact O-CB 3.39Å; A46-Y49 PolarHBondContact O-N 2.92Å; A47-Y49 PolarHBondContact O-N 3.39Å; Y49-N51 VanDerWaalsContact CB-OD1 3.3Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.36Å; Y49-N51 PolarHBondContact O-N 3.36Å; Y49-K79 PolarHBondContact OH-NZ 2.83Å; Y49-H112 AromaticContact CE1-CE1 3.87Å
50G96.4Very high98.3Very high63 Ų6327 Ų2765%0.64915%0.151SC*.SBendtrans69.519.9173.600000113.9A47 I48A47-G50 PolarHBondContact O-N 3.4Å; A47-G50 VanDerWaalsContact O-N 3.11Å; I48-G50 PolarHBondContact O-N 3.34Å
51N97.8Very high98.3Very high3 Ų331.9 Ų31.92%0.01617%0.174CC..  trans-134.510.6-171.366.8-0.3000114T20 S23 V28 Y49 V53 E54 I55T20-N51 PolarHBondContact O-ND2 3Å; S23-N51 PolarHBondContact O-ND2 2.89Å; V28-N51 HydrophobicContact CG1-CB 4.03Å; Y49-N51 VanDerWaalsContact CB-OD1 3.3Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.36Å; Y49-N51 PolarHBondContact O-N 3.36Å; N51-V53 VanDerWaalsContact C-N 3.29Å; N51-V53 PolarHBondContact O-N 2.94Å; N51-E54 PolarHBondContact O-N 2.68Å; N51-I55 WeakPolarHBondContact O-CG1 3.35Å; N51-I55 PolarHBondContact O-N 3.09Å
52E98.6Very high98.2Very high3 Ų328.5 Ų28.51%0.01416%0.162CC..Hα-helixtrans-62.6-31.4179-68.2-162.8135.900113.4C45 A47 I55 G56 S78 T97 D100 L101C45-E52 HydrophobicContact CB-CG 4.41Å; A47-E52 WeakPolarHBondContact CA-OE2 3.24Å; E52-I55 PolarHBondContact O-N 3.37Å; E52-G56 PolarHBondContact O-N 3.48Å; E52-S78 WeakPolarHBondContact OE1-CB 3.47Å; E52-S78 PolarHBondContact OE1-OG 3.37Å; E52-T97 WeakPolarHBondContact OE1-CG2 3.35Å; E52-T97 WeakPolarHBondContact OE2-CB 3.25Å; E52-T97 WeakPolarHBondContact OE2-CG2 3.47Å; E52-T97 PolarHBondContact OE2-OG1 3.3Å; E52-D100 HydrophobicContact CB-CB 3.96Å; E52-L101 HydrophobicContact CB-CD2 3.93Å; E52-L101 HydrophobicContact CB-CG 4.11Å; E52-L101 HydrophobicContact CG-CD2 4.22Å; E52-L101 HydrophobicContact CG-CG 4.44Å; E52-L101 WeakPolarHBondContact O-CD2 3.3Å
53V98.5Very high98.1Very high70 Ų7029.4 Ų29.442%0.42417%0.167SC..Hα-helixtrans-61.5-48.4177.8176.60000111.4N51 I55 G56 E57 D100N51-V53 VanDerWaalsContact C-N 3.29Å; N51-V53 PolarHBondContact O-N 2.94Å; V53-I55 VanDerWaalsContact C-N 3.35Å; V53-G56 WeakPolarHBondContact O-CA 3.43Å; V53-G56 PolarHBondContact O-N 3.31Å; V53-G56 VanDerWaalsContact O-N 3.15Å; V53-E57 PolarHBondContact O-N 2.94Å; V53-D100 WeakPolarHBondContact CA-O 3.29Å; V53-D100 HydrophobicContact CG2-CB 3.83Å
54E98.3Very high97.9Very high41 Ų4130.2 Ų30.219%0.19218%0.175CC..Hα-helixtrans-69.6-33.2179.1-72.5-177.3-147.900112.6P25 G26 V28 K29 N51 G56 E57 A58P25-E54 WeakPolarHBondContact CA-OE1 3.41Å; P25-E54 WeakPolarHBondContact CB-OE1 3.26Å; G26-E54 VanDerWaalsContact N-CD 3.28Å; G26-E54 PolarHBondContact N-OE1 3.41Å; G26-E54 VanDerWaalsContact N-OE1 3.09Å; G26-E54 PolarHBondContact N-OE2 3.2Å; V28-E54 HydrophobicContact CG1-CB 3.48Å; V28-E54 VanDerWaalsContact CG1-CB 3.48Å; V28-E54 HydrophobicContact CG1-CG 4.43Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.37Å; K29-E54 HydrophobicContact CB-CB 4.41Å; N51-E54 PolarHBondContact O-N 2.68Å; E54-G56 VanDerWaalsContact C-N 3.31Å; E54-E57 PolarHBondContact O-N 3.24Å; E54-A58 PolarHBondContact O-N 2.83Å; E54-A58 VanDerWaalsContact O-N 3.12Å
55I98.6Very high97.4Very high0 Ų036.2 Ų36.20%021%0.214CC..Hα-helixtrans-62.5-44.4170.4-63.9165.4000109.1T20 V28 V32 C45 N51 E52 V53 E57 A58 L59 L101T20-I55 HydrophobicContact CG2-CD1 3.82Å; T20-I55 HydrophobicContact CG2-CG1 4.5Å; V28-I55 HydrophobicContact CG1-CG1 4.13Å; V28-I55 HydrophobicContact CG2-CD1 4.03Å; V28-I55 HydrophobicContact CG2-CG1 3.65Å; V32-I55 HydrophobicContact CG2-CG1 4.17Å; V32-I55 HydrophobicContact CG2-CG2 4.29Å; C45-I55 HydrophobicContact CB-CD1 4.46Å; N51-I55 WeakPolarHBondContact O-CG1 3.35Å; N51-I55 PolarHBondContact O-N 3.09Å; E52-I55 PolarHBondContact O-N 3.37Å; V53-I55 VanDerWaalsContact C-N 3.35Å; I55-E57 VanDerWaalsContact C-N 3.29Å; I55-E57 PolarHBondContact O-N 3.4Å; I55-A58 WeakPolarHBondContact O-CB 3.41Å; I55-A58 PolarHBondContact O-N 3.36Å; I55-A58 VanDerWaalsContact O-N 3.12Å; I55-L59 HydrophobicContact CG2-CD1 4.02Å; I55-L59 HydrophobicContact CG2-CG 4.18Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.1Å; I55-L59 PolarHBondContact O-N 3.26Å; I55-L101 HydrophobicContact CB-CD2 3.91Å; I55-L101 HydrophobicContact CG2-CD2 3.65Å
56G98.6Very high97.1Very high0 Ų044 Ų440%026%0.256CS..Hα-helixtrans-60.4-36.4176.700000113.4E52 V53 E54 L59 Q60 L101E52-G56 PolarHBondContact O-N 3.48Å; V53-G56 WeakPolarHBondContact O-CA 3.43Å; V53-G56 PolarHBondContact O-N 3.31Å; V53-G56 VanDerWaalsContact O-N 3.15Å; E54-G56 VanDerWaalsContact C-N 3.31Å; G56-L59 PolarHBondContact O-N 3.07Å; G56-Q60 VanDerWaalsContact O-CB 3.27Å; G56-Q60 WeakPolarHBondContact O-CB 3.32Å; G56-Q60 PolarHBondContact O-N 3.21Å; G56-L101 VanDerWaalsContact CA-C 3.46Å; G56-L101 WeakPolarHBondContact CA-O 3.35Å
57E98.5Very high97Very high70 Ų7048.6 Ų48.633%0.32728%0.276SS..Hα-helixtrans-62.6-46.1171.1-67.3174.2-172.400112.5K29 V53 E54 I55 Q60 E61K29-E57 HydrophobicContact CD-CB 4.23Å; K29-E57 IonicContact NZ-OE2 2.98Å; V53-E57 PolarHBondContact O-N 2.94Å; E54-E57 PolarHBondContact O-N 3.24Å; I55-E57 VanDerWaalsContact C-N 3.29Å; I55-E57 PolarHBondContact O-N 3.4Å; E57-Q60 PolarHBondContact O-N 3.19Å; E57-E61 WeakPolarHBondContact O-CG 3.33Å; E57-E61 PolarHBondContact O-N 3.39Å
58A98.3Very high96.8Very high0 Ų051.6 Ų51.60%029%0.294CS..Hα-helixtrans-61-44.8175.200000112.1K29 V32 L33 E54 I55 E61 I62K29-A58 HydrophobicContact CG-CB 3.85Å; V32-A58 HydrophobicContact CB-CB 3.86Å; V32-A58 HydrophobicContact CG1-CB 3.74Å; L33-A58 HydrophobicContact CD2-CB 4.16Å; L33-A58 HydrophobicContact CG-CB 4.02Å; E54-A58 PolarHBondContact O-N 2.83Å; E54-A58 VanDerWaalsContact O-N 3.12Å; I55-A58 WeakPolarHBondContact O-CB 3.41Å; I55-A58 PolarHBondContact O-N 3.36Å; I55-A58 VanDerWaalsContact O-N 3.12Å; A58-E61 PolarHBondContact O-N 3.38Å; A58-I62 WeakPolarHBondContact O-CG2 2.84Å; A58-I62 PolarHBondContact O-N 2.88Å
59L98.5Very high96.8Very high2 Ų250.4 Ų50.41%0.0129%0.288CS..Hα-helixtrans-63.1-43.6177.8-66.2179.3000110.8V32 L36 I55 G56 E61 I62 L63 I76 L101 L103V32-L59 HydrophobicContact CG1-CD2 4.32Å; L36-L59 HydrophobicContact CD1-CD2 4.06Å; I55-L59 HydrophobicContact CG2-CD1 4.02Å; I55-L59 HydrophobicContact CG2-CG 4.18Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.1Å; I55-L59 PolarHBondContact O-N 3.26Å; G56-L59 PolarHBondContact O-N 3.07Å; L59-E61 PolarHBondContact O-N 3.1Å; L59-I62 PolarHBondContact O-N 3.37Å; L59-L63 HydrophobicContact CB-CD1 4.08Å; L59-L63 HydrophobicContact CB-CG 4.43Å; L59-L63 HydrophobicContact CD2-CD1 3.96Å; L59-L63 HydrophobicContact CD2-CG 4.45Å; L59-L63 HydrophobicContact CG-CD1 4.49Å; L59-L63 WeakPolarHBondContact O-CA 3.31Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 2.89Å; L59-I76 HydrophobicContact CD1-CD1 4.04Å; L59-I76 HydrophobicContact CD1-CG1 4.46Å; L59-I76 HydrophobicContact CD2-CD1 3.97Å; L59-L101 HydrophobicContact CD1-CD2 4.45Å; L59-L103 HydrophobicContact CD1-CD1 4.04Å; L59-L103 HydrophobicContact CD1-CD2 4.31Å; L59-L103 HydrophobicContact CD1-CG 4.35Å
60Q97.9Very high96.8Very high101 Ų10154.2 Ų54.247%0.47230%0.302SS..Hα-helixtrans-61.1-34.2175.3-173179.130.300111.3G56 E57 K67 K102G56-Q60 VanDerWaalsContact O-CB 3.27Å; G56-Q60 WeakPolarHBondContact O-CB 3.32Å; G56-Q60 PolarHBondContact O-N 3.21Å; E57-Q60 PolarHBondContact O-N 3.19Å; Q60-K67 PolarHBondContact O-NZ 3.23Å; Q60-K102 HydrophobicContact CB-CD 3.89Å; Q60-K102 HydrophobicContact CG-CD 4.31Å
61E97.7Very high96.9Very high105 Ų10552.9 Ų52.949%0.49128%0.277SS..Hα-helixtrans-70.3-30.6179.2-78.4176.8-166.600114.1K29 L33 E57 A58 L59 K67K29-E61 VanDerWaalsContact CE-CD 3.47Å; K29-E61 WeakPolarHBondContact CE-OE1 3.06Å; K29-E61 WeakPolarHBondContact CE-OE2 3.22Å; K29-E61 IonicContact NZ-OE1 3.56Å; K29-E61 PolarHBondContact NZ-OE1 2.7Å; K29-E61 IonicContact NZ-OE2 3.47Å; L33-E61 HydrophobicContact CD2-CB 4.39Å; E57-E61 WeakPolarHBondContact O-CG 3.33Å; E57-E61 PolarHBondContact O-N 3.39Å; A58-E61 PolarHBondContact O-N 3.38Å; L59-E61 PolarHBondContact O-N 3.1Å; E61-K67 WeakPolarHBondContact O-CD 3.32Å
62I97.6Very high96.8Very high10 Ų1057.5 Ų57.55%0.05130%0.299CS..Hα-helixtrans-112.6-19.9-171.5-159.5168.9000114.4L33 L36 E37 A58 L59 K67 S68 L69L33-I62 HydrophobicContact CD2-CB 4.3Å; L36-I62 HydrophobicContact CB-CD1 3.75Å; L36-I62 HydrophobicContact CD1-CD1 4.42Å; L36-I62 HydrophobicContact CD1-CG2 3.53Å; E37-I62 HydrophobicContact CG-CD1 4.43Å; A58-I62 WeakPolarHBondContact O-CG2 2.84Å; A58-I62 PolarHBondContact O-N 2.88Å; L59-I62 PolarHBondContact O-N 3.37Å; I62-K67 VanDerWaalsContact O-CB 3.24Å; I62-K67 WeakPolarHBondContact O-CB 3.49Å; I62-S68 PolarHBondContact O-N 3.42Å; I62-L69 HydrophobicContact CD1-CD1 4.1Å; I62-L69 HydrophobicContact CG1-CD1 4.26Å; I62-L69 HydrophobicContact CG1-CG 4.38Å; I62-L69 PolarHBondContact O-N 3.36Å; I62-L69 VanDerWaalsContact O-N 3.12Å
63L97.4Very high96.7Very high19 Ų1960.1 Ų60.110%0.09931%0.313CS..BIsolated β-bridgetrans-100.4124.4-179-56-172.5000112.3L59 K67 L69 V74L59-L63 HydrophobicContact CB-CD1 4.08Å; L59-L63 HydrophobicContact CB-CG 4.43Å; L59-L63 HydrophobicContact CD2-CD1 3.96Å; L59-L63 HydrophobicContact CD2-CG 4.45Å; L59-L63 HydrophobicContact CG-CD1 4.49Å; L59-L63 WeakPolarHBondContact O-CA 3.31Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 2.89Å; L63-K67 WeakPolarHBondContact O-CD 3.21Å; L63-L69 WeakPolarHBondContact CA-O 3.31Å; L63-L69 HydrophobicContact CD2-CB 3.67Å; L63-L69 HydrophobicContact CD2-CD1 4.5Å; L63-V74 HydrophobicContact CD2-CB 4.46Å; L63-V74 HydrophobicContact CD2-CG2 3.75Å
64G92.9Very high96.7Very high16 Ų1656.9 Ų56.917%0.16529%0.293CS..SBendtrans166.1170173.400000113.1D66 K67 L69G64-D66 PolarHBondContact O-N 2.89Å; G64-K67 PolarHBondContact O-N 3.31Å; G64-L69 PolarHBondContact N-O 3.43Å; G64-L69 VanDerWaalsContact N-O 3.08Å
65P90.1Very high96.7Very high129 Ų12955.1 Ų55.184%0.83829%0.285SS*.THydrogen-bonded Turntrans-56.1-37-179.7-25.834.9000113.6
66D92.5Very high96.7Very high164 Ų16455.1 Ų55.188%0.87729%0.285SS*.THydrogen-bonded Turntrans-107.220.4-177.8-52.9-55.1000112.9G64G64-D66 PolarHBondContact O-N 2.89Å
67K95.3Very high96.8Very high97 Ų9755.1 Ų55.142%0.42229%0.285SS..SBendtrans-115.7174.5-175.9-58.9-172178.1162.30112Q60 E61 I62 L63 G64 L69Q60-K67 PolarHBondContact O-NZ 3.23Å; E61-K67 WeakPolarHBondContact O-CD 3.32Å; I62-K67 VanDerWaalsContact O-CB 3.24Å; I62-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 WeakPolarHBondContact O-CD 3.21Å; G64-K67 PolarHBondContact O-N 3.31Å; K67-L69 PolarHBondContact O-N 2.97Å; K67-L69 VanDerWaalsContact O-N 3.15Å
68S94.7Very high96.8Very high106 Ų10651.8 Ų51.874%0.74127%0.269SS*.SBendtrans-59.9-28.3-173.2-52.40000113.6I62I62-S68 PolarHBondContact O-N 3.42Å
69L97.8Very high96.8Very high16 Ų1651.8 Ų51.88%0.08427%0.269CS..BIsolated β-bridgetrans-136.2148.8-178.4-61.5175.7000111.1L36 I62 L63 G64 K67 V74L36-L69 HydrophobicContact CB-CD1 3.98Å; L36-L69 HydrophobicContact CD2-CD1 4.24Å; I62-L69 HydrophobicContact CD1-CD1 4.1Å; I62-L69 HydrophobicContact CG1-CD1 4.26Å; I62-L69 HydrophobicContact CG1-CG 4.38Å; I62-L69 PolarHBondContact O-N 3.36Å; I62-L69 VanDerWaalsContact O-N 3.12Å; L63-L69 WeakPolarHBondContact CA-O 3.31Å; L63-L69 HydrophobicContact CD2-CB 3.67Å; L63-L69 HydrophobicContact CD2-CD1 4.5Å; G64-L69 PolarHBondContact N-O 3.43Å; G64-L69 VanDerWaalsContact N-O 3.08Å; K67-L69 PolarHBondContact O-N 2.97Å; K67-L69 VanDerWaalsContact O-N 3.15Å; L69-V74 HydrophobicContact CD1-CG2 4.08Å
70R97.4Very high96.8Very high124 Ų12451.7 Ų51.747%0.46827%0.269SS..  trans-90.9155171.8-50.7173.8-64.2149.38.4109.6E72 D73R70-E72 VanDerWaalsContact C-N 3.25Å; R70-E72 HydrophobicContact CB-CG 4.32Å; R70-E72 WeakPolarHBondContact CB-OE2 3.42Å; R70-E72 WeakPolarHBondContact CD-OE1 3.4Å; R70-E72 IonicContact CZ-OE1 2.83Å; R70-E72 IonicContact NE-OE1 3.5Å; R70-E72 PolarHBondContact NE-OE1 2.95Å; R70-E72 IonicContact NH1-OE1 2.71Å; R70-E72 PolarHBondContact NH1-OE1 3.03Å; R70-E72 IonicContact NH2-OE1 2.78Å; R70-E72 PolarHBondContact O-N 3.35Å; R70-D73 VanDerWaalsContact CB-OD2 3.29Å; R70-D73 WeakPolarHBondContact CB-OD2 3.5Å; R70-D73 IonicContact CZ-OD1 2.58Å; R70-D73 IonicContact CZ-OD2 3.09Å; R70-D73 PolarHBondContact N-OD2 2.77Å; R70-D73 IonicContact NE-OD1 2.64Å; R70-D73 IonicContact NE-OD2 2.74Å; R70-D73 PolarHBondContact NE-OD2 3.14Å; R70-D73 IonicContact NH2-OD1 3.93Å; R70-D73 PolarHBondContact NH2-OD1 3.07Å; R70-D73 IonicContact NH2-OD2 3.43Å; R70-D73 WeakPolarHBondContact O-CB 3.22Å; R70-D73 PolarHBondContact O-N 3.45Å
71R97.3Very high96.9Very high35 Ų3547.9 Ų47.913%0.13225%0.25CS..G310 helixtrans-59.8-38.7-178.7172.557.4-170.892.1-6111.5D73 V74 Y105 D107R71-D73 PolarHBondContact O-N 3.35Å; R71-V74 PolarHBondContact NH1-O 2.64Å; R71-V74 PolarHBondContact O-N 3.16Å; R71-Y105 HydrophobicContact CG-CE1 3.84Å; R71-Y105 PolarHBondContact NH2-O 2.93Å; R71-D107 IonicContact CZ-OD2 3.81Å; R71-D107 VanDerWaalsContact CZ-OD2 3.3Å; R71-D107 IonicContact NH1-OD2 3.69Å; R71-D107 PolarHBondContact NH1-OD2 3.21Å; R71-D107 IonicContact NH2-OD2 3.71Å; R71-D107 PolarHBondContact NH2-OD2 3.04Å
72E96.5Very high96.9Very high100 Ų10042.9 Ų42.947%0.46723%0.227SC..G310 helixtrans-68.7-15.517965.8-91.3-151.400114.4R70 V74R70-E72 VanDerWaalsContact C-N 3.25Å; R70-E72 HydrophobicContact CB-CG 4.32Å; R70-E72 WeakPolarHBondContact CB-OE2 3.42Å; R70-E72 WeakPolarHBondContact CD-OE1 3.4Å; R70-E72 IonicContact CZ-OE1 2.83Å; R70-E72 IonicContact NE-OE1 3.5Å; R70-E72 PolarHBondContact NE-OE1 2.95Å; R70-E72 IonicContact NH1-OE1 2.71Å; R70-E72 PolarHBondContact NH1-OE1 3.03Å; R70-E72 IonicContact NH2-OE1 2.78Å; R70-E72 PolarHBondContact O-N 3.35Å; E72-V74 VanDerWaalsContact C-N 3.34Å
73D96.3Very high97Very high58 Ų5842.7 Ų42.731%0.3123%0.226SC..G310 helixtrans-81.4-15.8178.9-61-38000112.1R41 R70 R71R41-D73 WeakPolarHBondContact CB-O 3.49Å; R41-D73 VanDerWaalsContact CD-O 3.31Å; R41-D73 WeakPolarHBondContact CD-O 3.47Å; R70-D73 VanDerWaalsContact CB-OD2 3.29Å; R70-D73 WeakPolarHBondContact CB-OD2 3.5Å; R70-D73 IonicContact CZ-OD1 2.58Å; R70-D73 IonicContact CZ-OD2 3.09Å; R70-D73 PolarHBondContact N-OD2 2.77Å; R70-D73 IonicContact NE-OD1 2.64Å; R70-D73 IonicContact NE-OD2 2.74Å; R70-D73 PolarHBondContact NE-OD2 3.14Å; R70-D73 IonicContact NH2-OD1 3.93Å; R70-D73 PolarHBondContact NH2-OD1 3.07Å; R70-D73 IonicContact NH2-OD2 3.43Å; R70-D73 WeakPolarHBondContact O-CB 3.22Å; R70-D73 PolarHBondContact O-N 3.45Å; R71-D73 PolarHBondContact O-N 3.35Å
74V98.5Very high97Very high1 Ų144.4 Ų44.41%0.00623%0.231CC..SBendtrans-117125.8-174.8-173.10000111.2L36 I43 L63 L69 R71 E72 I76L36-V74 HydrophobicContact CD2-CG1 3.88Å; L36-V74 HydrophobicContact CD2-CG2 4.07Å; I43-V74 HydrophobicContact CG1-CG1 4.38Å; L63-V74 HydrophobicContact CD2-CB 4.46Å; L63-V74 HydrophobicContact CD2-CG2 3.75Å; L69-V74 HydrophobicContact CD1-CG2 4.08Å; R71-V74 PolarHBondContact NH1-O 2.64Å; R71-V74 PolarHBondContact O-N 3.16Å; E72-V74 VanDerWaalsContact C-N 3.34Å; V74-I76 HydrophobicContact CG1-CD1 3.57Å; V74-I76 HydrophobicContact CG1-CG1 4.32Å
75F98.9Very high97.3Very high5 Ų543.8 Ų43.82%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-86.3114176.5-163.4-74.1000110.8L7 R11 M13 R41 H42 I43 T77 D107 L108L7-F75 HydrophobicContact CD1-CE2 4.04Å; L7-F75 HydrophobicContact CD1-CZ 3.99Å; R11-F75 HydrophobicContact CG-CE2 4.23Å; M13-F75 HydrophobicContact CB-CD2 4.25Å; M13-F75 HydrophobicContact CB-CE2 3.91Å; M13-F75 HydrophobicContact CB-CZ 4.22Å; M13-F75 HydrophobicContact CE-CE1 3.93Å; M13-F75 HydrophobicContact CE-CZ 4.37Å; M13-F75 HydrophobicContact CG-CD1 4.31Å; M13-F75 HydrophobicContact CG-CD2 4.28Å; M13-F75 HydrophobicContact CG-CE1 4.05Å; M13-F75 HydrophobicContact CG-CE2 4.02Å; M13-F75 HydrophobicContact CG-CG 4.43Å; M13-F75 HydrophobicContact CG-CZ 3.91Å; M13-F75 HydrophobicContact SD-CE1 4.21Å; M13-F75 HydrophobicContact SD-CZ 4.06Å; R41-F75 WeakPolarHBondContact O-CB 3.44Å; R41-F75 PolarHBondContact O-N 3.18Å; H42-F75 CarbonylContact C-O 3.54Å; H42-F75 VanDerWaalsContact CA-O 3.22Å; H42-F75 WeakPolarHBondContact CA-O 3.16Å; H42-F75 HydrophobicContact CB-CB 4.23Å; H42-F75 AromaticContact CD2-CD1 3.79Å; H42-F75 PolarHBondContact CD2-O 2.62Å; I43-F75 PolarHBondContact N-O 3.28Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.43Å; F75-D107 VanDerWaalsContact CA-CG 3.47Å; F75-D107 HydrophobicContact CB-CB 4.46Å; F75-D107 HydrophobicContact CD1-CB 3.65Å; F75-D107 HydrophobicContact CD2-CB 3.73Å; F75-D107 HydrophobicContact CE1-CB 3.67Å; F75-D107 HydrophobicContact CE2-CB 3.76Å; F75-D107 HydrophobicContact CG-CB 3.67Å; F75-D107 HydrophobicContact CZ-CB 3.72Å; F75-L108 HydrophobicContact CE1-CB 3.57Å; F75-L108 HydrophobicContact CE1-CD2 4.13Å; F75-L108 HydrophobicContact CZ-CB 3.82Å; F75-L108 HydrophobicContact CZ-CD2 4.41Å
76I98.9Very high97.7Very high0 Ų040.4 Ų40.40%020%0.197CC..EExtended strand (participates in β ladder)trans-110122.2-180-52-63.4000110.8I43 L59 V74 L101 L103 L106 D107 L108I43-I76 HydrophobicContact CB-CD1 3.85Å; I43-I76 HydrophobicContact CG1-CD1 3.94Å; L59-I76 HydrophobicContact CD1-CD1 4.04Å; L59-I76 HydrophobicContact CD1-CG1 4.46Å; L59-I76 HydrophobicContact CD2-CD1 3.97Å; V74-I76 HydrophobicContact CG1-CD1 3.57Å; V74-I76 HydrophobicContact CG1-CG1 4.32Å; I76-L101 HydrophobicContact CG2-CD1 4.23Å; I76-L103 HydrophobicContact CB-CD1 4.13Å; I76-L103 HydrophobicContact CG1-CD1 3.97Å; I76-L103 HydrophobicContact CG2-CD1 3.9Å; I76-L106 HydrophobicContact CB-CD2 4.49Å; I76-L106 HydrophobicContact CG2-CD2 3.93Å; I76-D107 VanDerWaalsContact N-CG 3.32Å; I76-D107 PolarHBondContact N-OD2 3.03Å; I76-D107 WeakPolarHBondContact O-CB 3.38Å; I76-D107 PolarHBondContact O-N 3.13Å; I76-L108 PolarHBondContact O-N 3.16Å
77T98.9Very high98Very high0 Ų035.2 Ų35.20%017%0.172CC..EExtended strand (participates in β ladder)trans-105.8135.8175.1-57.40000110.3H42 I43 C45 F75 L108 L110H42-T77 PolarHBondContact NE2-OG1 2.8Å; I43-T77 PolarHBondContact O-N 3.38Å; C45-T77 WeakPolarHBondContact CA-O 3.24Å; C45-T77 VanDerWaalsContact CB-O 3.22Å; C45-T77 WeakPolarHBondContact CB-O 3.17Å; C45-T77 PolarHBondContact N-O 2.62Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.43Å; T77-L108 VanDerWaalsContact CA-O 3.32Å; T77-L108 WeakPolarHBondContact CA-O 3.22Å; T77-L108 HydrophobicContact CG2-CB 4.14Å; T77-L108 HydrophobicContact CG2-CD2 3.86Å; T77-L108 HydrophobicContact CG2-CG 4Å; T77-L110 HydrophobicContact CG2-CD1 3.94Å; T77-L110 HydrophobicContact CG2-CG 4.14Å
78S98.9Very high98.2Very high0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-135.9179163.2-169.30000111.5E52 L108 Y109 L110E52-S78 WeakPolarHBondContact OE1-CB 3.47Å; E52-S78 PolarHBondContact OE1-OG 3.37Å; S78-L108 PolarHBondContact N-O 3.27Å; S78-Y109 VanDerWaalsContact C-CD2 3.48Å; S78-Y109 WeakPolarHBondContact O-CA 3.31Å; S78-Y109 WeakPolarHBondContact O-CD2 3.4Å; S78-L110 PolarHBondContact O-N 2.96Å
79K98.9Very high98.4Very high0 Ų032.3 Ų32.30%015%0.149CC..EExtended strand (participates in β ladder)trans-140.1134.1-168.7-42.7-175.9-17874.20112.4D44 C45 A46 Y49 Y109 L110 H112D44-K79 IonicContact OD1-NZ 3.14Å; D44-K79 PolarHBondContact OD1-NZ 3.03Å; D44-K79 IonicContact OD2-NZ 2.73Å; D44-K79 PolarHBondContact OD2-NZ 2.99Å; C45-K79 PolarHBondContact O-NZ 3.22Å; A46-K79 HydrophobicContact CB-CB 3.88Å; A46-K79 HydrophobicContact CB-CD 3.96Å; A46-K79 HydrophobicContact CB-CG 3.86Å; Y49-K79 PolarHBondContact OH-NZ 2.83Å; K79-Y109 VanDerWaalsContact C-CE2 3.47Å; K79-L110 CarbonylContact C-O 3.54Å; K79-L110 VanDerWaalsContact CA-O 3.24Å; K79-L110 WeakPolarHBondContact CA-O 3.39Å; K79-L110 HydrophobicContact CB-CB 4.45Å; K79-L110 HydrophobicContact CG-CB 4.18Å; K79-L110 HydrophobicContact CG-CD1 4.41Å; K79-H112 HydrophobicContact CB-CB 3.99Å
80L98.9Very high98.4Very high0 Ų031.6 Ų31.60%015%0.145CC..EExtended strand (participates in β ladder)trans-73.6121.7170.7-176.772.2000109.8R84 V90 Y109 L110 H112 T142 M146L80-R84 HydrophobicContact CD1-CB 3.62Å; L80-R84 HydrophobicContact CG-CB 4.24Å; L80-V90 HydrophobicContact CD2-CG1 4.39Å; L80-V90 HydrophobicContact CD2-CG2 3.92Å; L80-Y109 WeakPolarHBondContact CA-OH 3.13Å; L80-Y109 HydrophobicContact CB-CE1 3.89Å; L80-Y109 HydrophobicContact CD1-CE1 4.29Å; L80-Y109 WeakPolarHBondContact CD1-OH 3.22Å; L80-L110 PolarHBondContact N-O 2.48Å; L80-H112 WeakPolarHBondContact O-CB 3.39Å; L80-H112 PolarHBondContact O-N 3.21Å; L80-T142 HydrophobicContact CD2-CG2 3.47Å; L80-T142 VanDerWaalsContact CD2-CG2 3.47Å; L80-M146 HydrophobicContact CB-SD 4.45Å; L80-M146 HydrophobicContact CD2-SD 4.05Å
81W98.8Very high98.5Very high21 Ų2128.5 Ų28.58%0.0814%0.136CC..  trans-81.8158.3-178.1-174.6-116.7000113.2I48 T83 R84 H112 W113 F117 P123 F124I48-W81 HydrophobicContact CB-CB 4.49Å; I48-W81 HydrophobicContact CB-CD2 3.66Å; I48-W81 HydrophobicContact CB-CE3 3.63Å; I48-W81 HydrophobicContact CB-CG 4.04Å; I48-W81 HydrophobicContact CB-CZ3 4.15Å; I48-W81 HydrophobicContact CD1-CD2 3.89Å; I48-W81 HydrophobicContact CD1-CG 4.19Å; I48-W81 HydrophobicContact CD1-CZ2 3.95Å; I48-W81 HydrophobicContact CG1-CD2 3.61Å; I48-W81 HydrophobicContact CG1-CE3 3.73Å; I48-W81 HydrophobicContact CG1-CG 4.26Å; I48-W81 HydrophobicContact CG1-CH2 3.9Å; I48-W81 HydrophobicContact CG1-CZ2 3.79Å; I48-W81 HydrophobicContact CG1-CZ3 3.87Å; I48-W81 HydrophobicContact CG2-CD2 4.19Å; I48-W81 HydrophobicContact CG2-CE3 3.6Å; I48-W81 HydrophobicContact CG2-CZ3 3.86Å; W81-T83 PolarHBondContact O-N 3.36Å; W81-T83 VanDerWaalsContact O-N 3.11Å; W81-R84 WeakPolarHBondContact O-CB 3.48Å; W81-R84 PolarHBondContact O-N 3.32Å; W81-H112 HydrophobicContact CE3-CB 4.26Å; W81-H112 AromaticContact CE3-CG 3.98Å; W81-H112 AromaticContact CE3-ND1 3.66Å; W81-H112 AromaticContact CZ3-ND1 3.95Å; W81-W113 AromaticContact CZ3-CD1 3.88Å; W81-W113 AromaticContact CZ3-NE1 3.99Å; W81-F117 HydrophobicContact CZ2-CD2 4.38Å; W81-F117 AromaticContact CZ2-CE2 3.83Å; W81-F117 HydrophobicContact CZ2-CE2 3.83Å; W81-P123 PolarHBondContact NE1-O 3.34Å; W81-F124 AromaticContact CH2-CE1 3.92Å; W81-F124 HydrophobicContact CH2-CE1 3.92Å; W81-F124 HydrophobicContact CH2-CZ 4.13Å; W81-F124 HydrophobicContact CZ2-CD1 4.12Å; W81-F124 AromaticContact CZ2-CE1 3.4Å; W81-F124 HydrophobicContact CZ2-CE1 3.4Å; W81-F124 VanDerWaalsContact CZ2-CE1 3.4Å; W81-F124 AromaticContact CZ2-CZ 3.68Å; W81-F124 HydrophobicContact CZ2-CZ 3.68Å
82N98.8Very high98.6Very high0 Ų030.2 Ų30.20%015%0.152CC..G310 helixtrans-57.4-29.4-170.6-61.420.1000114.5R84 H85 W113 Y115 A116 F117N82-R84 PolarHBondContact O-N 3.41Å; N82-H85 PolarHBondContact O-CD2 2.98Å; N82-W113 VanDerWaalsContact OD1-CD1 3.26Å; N82-Y115 WeakPolarHBondContact ND2-CE2 3.33Å; N82-A116 WeakPolarHBondContact O-CA 3.29Å; N82-F117 HydrophobicContact CB-CB 4.09Å; N82-F117 HydrophobicContact CB-CD1 4.14Å; N82-F117 HydrophobicContact CB-CD2 3.51Å; N82-F117 HydrophobicContact CB-CE1 4.42Å; N82-F117 HydrophobicContact CB-CE2 3.85Å; N82-F117 HydrophobicContact CB-CG 3.65Å; N82-F117 HydrophobicContact CB-CZ 4.28Å; N82-F117 VanDerWaalsContact ND2-CZ 3.29Å; N82-F117 WeakPolarHBondContact ND2-CZ 3.35Å; N82-F117 PolarHBondContact O-N 2.86Å
83T98.7Very high98.7Very high5 Ų526.3 Ų26.33%0.03114%0.135CC..G310 helixtrans-80.62.7178.758.90000113.8W81 F117 A122 P125W81-T83 PolarHBondContact O-N 3.36Å; W81-T83 VanDerWaalsContact O-N 3.11Å; T83-F117 HydrophobicContact CG2-CB 3.66Å; T83-F117 HydrophobicContact CG2-CD2 4.31Å; T83-A122 WeakPolarHBondContact CG2-O 3.31Å; T83-P125 HydrophobicContact CG2-CG 4.25Å
84R98.8Very high98.8Very high56 Ų5623.5 Ų23.521%0.21112%0.12CC..G310 helixtrans-123.322.5-173-54.4-61.3-177.3-150.55.4112.9L80 W81 N82 H86 D89 S93 G120 D121L80-R84 HydrophobicContact CD1-CB 3.62Å; L80-R84 HydrophobicContact CG-CB 4.24Å; W81-R84 WeakPolarHBondContact O-CB 3.48Å; W81-R84 PolarHBondContact O-N 3.32Å; N82-R84 PolarHBondContact O-N 3.41Å; R84-H86 VanDerWaalsContact C-N 3.34Å; R84-D89 HydrophobicContact CB-CB 4.3Å; R84-S93 VanDerWaalsContact CB-OG 3.31Å; R84-S93 WeakPolarHBondContact CB-OG 3.38Å; R84-S93 VanDerWaalsContact CD-OG 3.31Å; R84-S93 WeakPolarHBondContact CD-OG 3.42Å; R84-S93 WeakPolarHBondContact CG-OG 3.21Å; R84-G120 VanDerWaalsContact CZ-O 3.26Å; R84-G120 PolarHBondContact NH1-O 3.32Å; R84-G120 PolarHBondContact NH2-O 2.88Å; R84-D121 IonicContact CZ-OD1 3.73Å; R84-D121 IonicContact NH1-OD1 3.77Å; R84-D121 IonicContact NH2-OD1 2.78Å; R84-D121 PolarHBondContact NH2-OD1 2.91Å
85H98.9Very high98.8Very high2 Ų227.3 Ų27.31%0.00914%0.14CC..  trans-73.8-24.4-178.9-82.9-139.2000113.6N82 W113 Y115 A116 T137 T142N82-H85 PolarHBondContact O-CD2 2.98Å; H85-W113 PolarHBondContact CE1-O 3.43Å; H85-W113 PolarHBondContact NE2-O 3.18Å; H85-Y115 PolarHBondContact CE1-O 2.74Å; H85-A116 HydrophobicContact CB-CB 3.67Å; H85-T137 HydrophobicContact CB-CG2 4.04Å; H85-T137 WeakPolarHBondContact O-CG2 3.28Å; H85-T142 HydrophobicContact CB-CG2 4.38Å; H85-T142 WeakPolarHBondContact O-CB 3.43Å; H85-T142 PolarHBondContact O-OG1 3.36Å
86H98.8Very high98.8Very high58 Ų5832.5 Ų32.527%0.26916%0.163SC..SBendtrans-58.8132.2177.9-161.3-94.4000109.7R84 E88 D89 V90 R119R84-H86 VanDerWaalsContact C-N 3.34Å; H86-E88 IonicContact CE1-OE1 3.31Å; H86-E88 IonicContact CE1-OE2 3.79Å; H86-E88 IonicContact ND1-OE2 3.69Å; H86-E88 PolarHBondContact O-N 2.9Å; H86-D89 PolarHBondContact O-N 2.9Å; H86-V90 PolarHBondContact O-N 3.38Å; H86-R119 PolarHBondContact ND1-NH1 2.9Å
87P98.7Very high98.8Very high55 Ų5532.5 Ų32.536%0.35716%0.163SC..Hα-helixtrans-51.2-37.3-173.1-32.237.1000114.8D89 V90 V141 A145P87-D89 VanDerWaalsContact C-N 3.25Å; P87-D89 PolarHBondContact O-N 2.98Å; P87-V90 PolarHBondContact O-N 2.83Å; P87-V141 HydrophobicContact CG-CB 4.26Å; P87-V141 HydrophobicContact CG-CG2 4.22Å; P87-A145 HydrophobicContact CB-CB 4.05Å
88E98.7Very high98.8Very high123 Ų12333 Ų3358%0.57517%0.165SC*.Hα-helixtrans-65.4-23.6178.3-63.7171.5-176.500114.1H86 P92 R119H86-E88 IonicContact CE1-OE1 3.31Å; H86-E88 IonicContact CE1-OE2 3.79Å; H86-E88 IonicContact ND1-OE2 3.69Å; H86-E88 PolarHBondContact O-N 2.9Å; E88-P92 WeakPolarHBondContact O-CD 3.42Å; E88-P92 VanDerWaalsContact O-CG 3.31Å; E88-P92 WeakPolarHBondContact O-CG 3.33Å; E88-R119 IonicContact OE2-CZ 3.6Å; E88-R119 IonicContact OE2-NH1 2.77Å; E88-R119 PolarHBondContact OE2-NH1 3.21Å; E88-R119 IonicContact OE2-NH2 2.64Å; E88-R119 PolarHBondContact OE2-NH2 2.96Å
89D98.8Very high98.8Very high20 Ų2040.9 Ų40.911%0.10720%0.2CC..Hα-helixtrans-95.5-14.4-176.4-66.8-21.3000113R84 H86 P87 S93 R119R84-D89 HydrophobicContact CB-CB 4.3Å; H86-D89 PolarHBondContact O-N 2.9Å; P87-D89 VanDerWaalsContact C-N 3.25Å; P87-D89 PolarHBondContact O-N 2.98Å; D89-S93 WeakPolarHBondContact O-CB 3.2Å; D89-S93 PolarHBondContact O-N 3.19Å; D89-S93 PolarHBondContact O-OG 2.99Å; D89-R119 VanDerWaalsContact CG-NE 3.3Å; D89-R119 IonicContact OD1-CZ 3.85Å; D89-R119 VanDerWaalsContact OD1-CZ 3.31Å; D89-R119 IonicContact OD1-NE 3.76Å; D89-R119 PolarHBondContact OD1-NE 2.92Å; D89-R119 IonicContact OD1-NH2 3.3Å; D89-R119 PolarHBondContact OD1-NH2 3.21Å; D89-R119 VanDerWaalsContact OD2-CD 3.29Å; D89-R119 WeakPolarHBondContact OD2-CD 3.15Å; D89-R119 VanDerWaalsContact OD2-CG 3.22Å; D89-R119 WeakPolarHBondContact OD2-CG 3.45Å; D89-R119 IonicContact OD2-CZ 2.93Å; D89-R119 IonicContact OD2-NE 3.06Å; D89-R119 PolarHBondContact OD2-NE 3.37Å; D89-R119 IonicContact OD2-NH2 2.75Å
90V98.9Very high98.8Very high1 Ų142.3 Ų42.31%0.00621%0.207CC..Hα-helixtrans-61.9-52-175.2173.40000111.2L80 H86 P87 S93 L94 T142 A145 M146 L149L80-V90 HydrophobicContact CD2-CG1 4.39Å; L80-V90 HydrophobicContact CD2-CG2 3.92Å; H86-V90 PolarHBondContact O-N 3.38Å; P87-V90 PolarHBondContact O-N 2.83Å; V90-S93 PolarHBondContact O-N 3.26Å; V90-L94 PolarHBondContact O-N 2.8Å; V90-L94 VanDerWaalsContact O-N 3.07Å; V90-T142 HydrophobicContact CG2-CG2 4.09Å; V90-A145 HydrophobicContact CB-CB 3.94Å; V90-A145 HydrophobicContact CG1-CB 4.14Å; V90-A145 HydrophobicContact CG2-CB 3.8Å; V90-M146 HydrophobicContact CG1-CG 4.14Å; V90-M146 HydrophobicContact CG1-SD 3.71Å; V90-L149 HydrophobicContact CG1-CD1 3.69Å; V90-L149 HydrophobicContact CG1-CD2 4.39Å; V90-L149 HydrophobicContact CG1-CG 4.25Å
91E98.9Very high98.8Very high58 Ų5842.3 Ų42.327%0.27121%0.207SC..Hα-helixtrans-69.3-47.6180178.7173.6168.200113.1S93 L94 L95 L149 K152 L154E91-S93 PolarHBondContact O-N 3.42Å; E91-L94 PolarHBondContact O-N 2.73Å; E91-L94 VanDerWaalsContact O-N 3.12Å; E91-L95 HydrophobicContact CG-CD1 4.06Å; E91-L95 HydrophobicContact CG-CG 4.26Å; E91-L95 WeakPolarHBondContact O-CG 3.28Å; E91-L95 PolarHBondContact O-N 3.31Å; E91-L149 HydrophobicContact CB-CD2 3.66Å; E91-L149 HydrophobicContact CG-CD2 4.03Å; E91-K152 IonicContact OE1-NZ 3.61Å; E91-K152 PolarHBondContact OE1-NZ 2.94Å; E91-K152 IonicContact OE2-NZ 3.34Å; E91-K152 PolarHBondContact OE2-NZ 3.01Å; E91-L154 HydrophobicContact CG-CD1 4.43Å
92P98.8Very high98.8Very high72 Ų7246 Ų4647%0.46822%0.224SC..Hα-helixtrans-53.8-36.9172.7-28.635.9000113.4E88 L95 K96E88-P92 WeakPolarHBondContact O-CD 3.42Å; E88-P92 VanDerWaalsContact O-CG 3.31Å; E88-P92 WeakPolarHBondContact O-CG 3.33Å; P92-L95 PolarHBondContact O-N 2.93Å; P92-K96 WeakPolarHBondContact O-CB 3.49Å; P92-K96 PolarHBondContact O-N 2.89Å
93S98.8Very high98.8Very high17 Ų1747.1 Ų47.112%0.11923%0.23CC..Hα-helixtrans-68.3-42.2177.7-60.90000112.4R84 D89 V90 E91 K96 T97R84-S93 VanDerWaalsContact CB-OG 3.31Å; R84-S93 WeakPolarHBondContact CB-OG 3.38Å; R84-S93 VanDerWaalsContact CD-OG 3.31Å; R84-S93 WeakPolarHBondContact CD-OG 3.42Å; R84-S93 WeakPolarHBondContact CG-OG 3.21Å; D89-S93 WeakPolarHBondContact O-CB 3.2Å; D89-S93 PolarHBondContact O-N 3.19Å; D89-S93 PolarHBondContact O-OG 2.99Å; V90-S93 PolarHBondContact O-N 3.26Å; E91-S93 PolarHBondContact O-N 3.42Å; S93-K96 WeakPolarHBondContact O-CB 3.37Å; S93-K96 PolarHBondContact O-N 3.4Å; S93-T97 PolarHBondContact O-N 2.74Å; S93-T97 VanDerWaalsContact O-N 3.09Å
94L98.9Very high98.8Very high0 Ų055.1 Ų55.10%027%0.267CS..Hα-helixtrans-64-44.4173.2175.163.1000111.5V90 E91 K96 T97 L98 L106 Y109 L149 L154 V155V90-L94 PolarHBondContact O-N 2.8Å; V90-L94 VanDerWaalsContact O-N 3.07Å; E91-L94 PolarHBondContact O-N 2.73Å; E91-L94 VanDerWaalsContact O-N 3.12Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 2.82Å; L94-T97 CarbonylContact O-C 3.45Å; L94-T97 WeakPolarHBondContact O-CB 3.43Å; L94-T97 PolarHBondContact O-N 3.16Å; L94-T97 VanDerWaalsContact O-N 3.1Å; L94-L98 HydrophobicContact CD1-CD1 4.32Å; L94-L98 HydrophobicContact CD1-CG 4.08Å; L94-L98 HydrophobicContact CD2-CD1 4.5Å; L94-L98 HydrophobicContact CG-CD1 4.03Å; L94-L98 HydrophobicContact CG-CG 4.24Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 3.36Å; L94-L106 HydrophobicContact CD1-CD1 3.49Å; L94-L106 VanDerWaalsContact CD1-CD1 3.49Å; L94-L106 HydrophobicContact CD1-CG 4.05Å; L94-Y109 HydrophobicContact CB-CE1 4.01Å; L94-Y109 HydrophobicContact CD1-CD1 4.19Å; L94-Y109 HydrophobicContact CD1-CD2 4.14Å; L94-Y109 HydrophobicContact CD1-CE1 4.25Å; L94-Y109 HydrophobicContact CD1-CE2 4.18Å; L94-Y109 HydrophobicContact CD1-CG 4.17Å; L94-L149 HydrophobicContact CB-CD1 4.2Å; L94-L149 HydrophobicContact CD2-CB 3.92Å; L94-L149 HydrophobicContact CD2-CD1 3.59Å; L94-L149 HydrophobicContact CD2-CD2 4.1Å; L94-L149 HydrophobicContact CD2-CG 4.07Å; L94-L149 HydrophobicContact CG-CD1 4.49Å; L94-L154 HydrophobicContact CD2-CB 3.61Å; L94-L154 HydrophobicContact CD2-CD1 4.21Å; L94-V155 HydrophobicContact CD1-CG1 3.96Å; L94-V155 HydrophobicContact CD2-CG1 3.6Å; L94-V155 HydrophobicContact CG-CG1 4.46Å
95L98.9Very high98.8Very high80 Ų8053.7 Ų53.742%0.41926%0.261SS..Hα-helixtrans-62-37.5179.5-68.9176.1000111.9E91 P92 L98 K99 L154E91-L95 HydrophobicContact CG-CD1 4.06Å; E91-L95 HydrophobicContact CG-CG 4.26Å; E91-L95 WeakPolarHBondContact O-CG 3.28Å; E91-L95 PolarHBondContact O-N 3.31Å; P92-L95 PolarHBondContact O-N 2.93Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-L98 PolarHBondContact O-N 3.26Å; L95-K99 WeakPolarHBondContact O-CB 3.5Å; L95-K99 PolarHBondContact O-N 3.25Å; L95-L154 HydrophobicContact CD2-CD1 4.17Å; L95-L154 HydrophobicContact CD2-CD2 4.41Å
96K98.8Very high98.8Very high115 Ų11553.6 Ų53.650%0.526%0.261SS..Hα-helixtrans-58.5-51.7169.9175.491.817965.30110.9P92 S93 L94 L98 K99 D100P92-K96 WeakPolarHBondContact O-CB 3.49Å; P92-K96 PolarHBondContact O-N 2.89Å; S93-K96 WeakPolarHBondContact O-CB 3.37Å; S93-K96 PolarHBondContact O-N 3.4Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 2.82Å; K96-L98 PolarHBondContact O-N 3.03Å; K96-K99 WeakPolarHBondContact O-CB 3.46Å; K96-K99 PolarHBondContact O-N 3.45Å; K96-D100 IonicContact NZ-OD1 3.57Å; K96-D100 PolarHBondContact NZ-OD1 3.09Å; K96-D100 IonicContact NZ-OD2 3.04Å; K96-D100 PolarHBondContact NZ-OD2 2.85Å; K96-D100 VanDerWaalsContact O-CG 3.25Å; K96-D100 PolarHBondContact O-N 3.45Å
97T98.9Very high98.8Very high0 Ų050.9 Ų50.90%025%0.248CC..Hα-helixtrans-59.2-44.9177.3-80.10000112.2E52 S93 L94 K99 D100 L101 L106E52-T97 WeakPolarHBondContact OE1-CG2 3.35Å; E52-T97 WeakPolarHBondContact OE2-CB 3.25Å; E52-T97 WeakPolarHBondContact OE2-CG2 3.47Å; E52-T97 PolarHBondContact OE2-OG1 3.3Å; S93-T97 PolarHBondContact O-N 2.74Å; S93-T97 VanDerWaalsContact O-N 3.09Å; L94-T97 CarbonylContact O-C 3.45Å; L94-T97 WeakPolarHBondContact O-CB 3.43Å; L94-T97 PolarHBondContact O-N 3.16Å; L94-T97 VanDerWaalsContact O-N 3.1Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-K99 PolarHBondContact O-N 2.91Å; T97-D100 PolarHBondContact O-N 2.95Å; T97-L101 HydrophobicContact CG2-CD1 3.62Å; T97-L101 HydrophobicContact CG2-CG 4.39Å; T97-L101 VanDerWaalsContact O-CB 3.32Å; T97-L101 WeakPolarHBondContact O-CB 3.39Å; T97-L101 WeakPolarHBondContact O-CG 3.32Å; T97-L101 PolarHBondContact O-N 3.24Å; T97-L106 HydrophobicContact CG2-CD1 4.04Å; T97-L106 HydrophobicContact CG2-CD2 4.46Å
98L98.9Very high98.8Very high9 Ų948.2 Ų48.25%0.04723%0.231CC..Hα-helixtrans-61.6-42.5177.2-74.1176.5000111.8L94 L95 K96 K102 L103 L106 L154L94-L98 HydrophobicContact CD1-CD1 4.32Å; L94-L98 HydrophobicContact CD1-CG 4.08Å; L94-L98 HydrophobicContact CD2-CD1 4.5Å; L94-L98 HydrophobicContact CG-CD1 4.03Å; L94-L98 HydrophobicContact CG-CG 4.24Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 3.36Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-L98 PolarHBondContact O-N 3.26Å; K96-L98 PolarHBondContact O-N 3.03Å; L98-K102 WeakPolarHBondContact O-CA 3.48Å; L98-K102 PolarHBondContact O-N 3.24Å; L98-L103 WeakPolarHBondContact CB-O 3.24Å; L98-L103 HydrophobicContact CD2-CB 4.1Å; L98-L103 PolarHBondContact O-N 3.04Å; L98-L106 HydrophobicContact CD2-CD2 4.03Å; L98-L106 HydrophobicContact CD2-CG 3.86Å; L98-L154 HydrophobicContact CD1-CB 4.33Å; L98-L154 HydrophobicContact CD1-CD2 4.22Å
99K98.9Very high98.8Very high167 Ų16742.4 Ų42.473%0.72620%0.204SC*.Hα-helixtrans-61.9-48.2174.9-179.2-177178.2-178.60111.7L95 K96 T97 K102L95-K99 WeakPolarHBondContact O-CB 3.5Å; L95-K99 PolarHBondContact O-N 3.25Å; K96-K99 WeakPolarHBondContact O-CB 3.46Å; K96-K99 PolarHBondContact O-N 3.45Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-K99 PolarHBondContact O-N 2.91Å; K99-K102 PolarHBondContact O-N 3.2Å
100D98.8Very high98.8Very high30 Ų3041.5 Ų41.516%0.1620%0.199CC..Hα-helixtrans-64.2-43.8-178.9-68.1-9000110.8E52 V53 K96 T97 K102E52-D100 HydrophobicContact CB-CB 3.96Å; V53-D100 WeakPolarHBondContact CA-O 3.29Å; V53-D100 HydrophobicContact CG2-CB 3.83Å; K96-D100 IonicContact NZ-OD1 3.57Å; K96-D100 PolarHBondContact NZ-OD1 3.09Å; K96-D100 IonicContact NZ-OD2 3.04Å; K96-D100 PolarHBondContact NZ-OD2 2.85Å; K96-D100 VanDerWaalsContact O-CG 3.25Å; K96-D100 PolarHBondContact O-N 3.45Å; T97-D100 PolarHBondContact O-N 2.95Å; D100-K102 PolarHBondContact O-N 3.39Å
101L98.8Very high98.8Very high0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-75-8.7176.3-67.4171.7000113.7E52 I55 G56 L59 I76 T97 L103 L106E52-L101 HydrophobicContact CB-CD2 3.93Å; E52-L101 HydrophobicContact CB-CG 4.11Å; E52-L101 HydrophobicContact CG-CD2 4.22Å; E52-L101 HydrophobicContact CG-CG 4.44Å; E52-L101 WeakPolarHBondContact O-CD2 3.3Å; I55-L101 HydrophobicContact CB-CD2 3.91Å; I55-L101 HydrophobicContact CG2-CD2 3.65Å; G56-L101 VanDerWaalsContact CA-C 3.46Å; G56-L101 WeakPolarHBondContact CA-O 3.35Å; L59-L101 HydrophobicContact CD1-CD2 4.45Å; I76-L101 HydrophobicContact CG2-CD1 4.23Å; T97-L101 HydrophobicContact CG2-CD1 3.62Å; T97-L101 HydrophobicContact CG2-CG 4.39Å; T97-L101 VanDerWaalsContact O-CB 3.32Å; T97-L101 WeakPolarHBondContact O-CB 3.39Å; T97-L101 WeakPolarHBondContact O-CG 3.32Å; T97-L101 PolarHBondContact O-N 3.24Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 HydrophobicContact CB-CB 4.46Å; L101-L103 HydrophobicContact CB-CD1 3.95Å; L101-L103 HydrophobicContact CB-CG 3.93Å; L101-L103 HydrophobicContact CD1-CD1 4.33Å; L101-L103 WeakPolarHBondContact O-CG 3.33Å; L101-L103 PolarHBondContact O-N 3.43Å; L101-L106 HydrophobicContact CD1-CD2 3.75Å
102K98.6Very high98.8Very high99 Ų9939.4 Ų39.443%0.4319%0.19SC..THydrogen-bonded Turntrans56.143.9-175.6-51.1178.7-174.1-132.60112.5Q60 L98 K99 D100Q60-K102 HydrophobicContact CB-CD 3.89Å; Q60-K102 HydrophobicContact CG-CD 4.31Å; L98-K102 WeakPolarHBondContact O-CA 3.48Å; L98-K102 PolarHBondContact O-N 3.24Å; K99-K102 PolarHBondContact O-N 3.2Å; D100-K102 PolarHBondContact O-N 3.39Å
103L98.7Very high98.8Very high23 Ų2336.6 Ų36.612%0.1217%0.17CC..  trans-120.7154-178-63-179.5000111.5L59 I76 L98 L101 L106L59-L103 HydrophobicContact CD1-CD1 4.04Å; L59-L103 HydrophobicContact CD1-CD2 4.31Å; L59-L103 HydrophobicContact CD1-CG 4.35Å; I76-L103 HydrophobicContact CB-CD1 4.13Å; I76-L103 HydrophobicContact CG1-CD1 3.97Å; I76-L103 HydrophobicContact CG2-CD1 3.9Å; L98-L103 WeakPolarHBondContact CB-O 3.24Å; L98-L103 HydrophobicContact CD2-CB 4.1Å; L98-L103 PolarHBondContact O-N 3.04Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 HydrophobicContact CB-CB 4.46Å; L101-L103 HydrophobicContact CB-CD1 3.95Å; L101-L103 HydrophobicContact CB-CG 3.93Å; L101-L103 HydrophobicContact CD1-CD1 4.33Å; L101-L103 WeakPolarHBondContact O-CG 3.33Å; L101-L103 PolarHBondContact O-N 3.43Å; L103-L106 HydrophobicContact CD1-CD2 4.16Å
104E98.4Very high98.8Very high173 Ų17335.8 Ų35.881%0.80816%0.164SC*.SBendtrans-87.9-26.1172.3-61.6-177.1164.900112.6
105Y98.8Very high98.8Very high25 Ų2535.8 Ų35.810%0.09816%0.164CC..  trans-150.1158.2179.472.3-89.7000112R71 L154 R156R71-Y105 HydrophobicContact CG-CE1 3.84Å; R71-Y105 PolarHBondContact NH2-O 2.93Å; Y105-L154 WeakPolarHBondContact CA-O 3.1Å; Y105-L154 WeakPolarHBondContact CB-O 2.93Å; Y105-R156 HydrophobicContact CD2-CG 3.68Å; Y105-R156 HydrophobicContact CE2-CG 3.86Å
106L98.9Very high98.8Very high0 Ų032 Ų320%014%0.144CC..BIsolated β-bridgetrans-102.6150.7164.7-56.8178000111.4I76 L94 T97 L98 L101 L103 Y109 L154 V155 R156I76-L106 HydrophobicContact CB-CD2 4.49Å; I76-L106 HydrophobicContact CG2-CD2 3.93Å; L94-L106 HydrophobicContact CD1-CD1 3.49Å; L94-L106 VanDerWaalsContact CD1-CD1 3.49Å; L94-L106 HydrophobicContact CD1-CG 4.05Å; T97-L106 HydrophobicContact CG2-CD1 4.04Å; T97-L106 HydrophobicContact CG2-CD2 4.46Å; L98-L106 HydrophobicContact CD2-CD2 4.03Å; L98-L106 HydrophobicContact CD2-CG 3.86Å; L101-L106 HydrophobicContact CD1-CD2 3.75Å; L103-L106 HydrophobicContact CD1-CD2 4.16Å; L106-Y109 HydrophobicContact CD1-CD2 3.6Å; L106-Y109 HydrophobicContact CD1-CE2 4.27Å; L106-Y109 HydrophobicContact CD1-CG 4.2Å; L106-L154 PolarHBondContact N-O 3.28Å; L106-V155 HydrophobicContact CB-CG1 4.17Å; L106-V155 CarbonylContact O-C 3.48Å; L106-V155 WeakPolarHBondContact O-CA 3.36Å; L106-R156 PolarHBondContact O-N 3.18Å
107D98.9Very high98.8Very high1 Ų126.7 Ų26.71%0.00512%0.121CC..SBendtrans-73.1-38.9171.4-64.5-108.5000110.9R11 R71 F75 I76 S157R11-D107 IonicContact CZ-OD1 3.96Å; R11-D107 IonicContact NE-OD1 3.07Å; R11-D107 PolarHBondContact NE-OD1 2.74Å; R11-D107 IonicContact NH2-OD1 3.11Å; R11-D107 PolarHBondContact NH2-OD1 2.74Å; R71-D107 IonicContact CZ-OD2 3.81Å; R71-D107 VanDerWaalsContact CZ-OD2 3.3Å; R71-D107 IonicContact NH1-OD2 3.69Å; R71-D107 PolarHBondContact NH1-OD2 3.21Å; R71-D107 IonicContact NH2-OD2 3.71Å; R71-D107 PolarHBondContact NH2-OD2 3.04Å; F75-D107 VanDerWaalsContact CA-CG 3.47Å; F75-D107 HydrophobicContact CB-CB 4.46Å; F75-D107 HydrophobicContact CD1-CB 3.65Å; F75-D107 HydrophobicContact CD2-CB 3.73Å; F75-D107 HydrophobicContact CE1-CB 3.67Å; F75-D107 HydrophobicContact CE2-CB 3.76Å; F75-D107 HydrophobicContact CG-CB 3.67Å; F75-D107 HydrophobicContact CZ-CB 3.72Å; I76-D107 VanDerWaalsContact N-CG 3.32Å; I76-D107 PolarHBondContact N-OD2 3.03Å; I76-D107 WeakPolarHBondContact O-CB 3.38Å; I76-D107 PolarHBondContact O-N 3.13Å; D107-S157 WeakPolarHBondContact O-CB 3.24Å; D107-S157 PolarHBondContact O-N 2.93Å
108L98.9Very high98.8Very high0 Ų031 Ų310%014%0.141CC..EExtended strand (participates in β ladder)trans-143132.6-178.1-17961000111.2M13 F75 I76 T77 S78 L110 S157 V181M13-L108 HydrophobicContact CE-CD2 3.91Å; F75-L108 HydrophobicContact CE1-CB 3.57Å; F75-L108 HydrophobicContact CE1-CD2 4.13Å; F75-L108 HydrophobicContact CZ-CB 3.82Å; F75-L108 HydrophobicContact CZ-CD2 4.41Å; I76-L108 PolarHBondContact O-N 3.16Å; T77-L108 VanDerWaalsContact CA-O 3.32Å; T77-L108 WeakPolarHBondContact CA-O 3.22Å; T77-L108 HydrophobicContact CG2-CB 4.14Å; T77-L108 HydrophobicContact CG2-CD2 3.86Å; T77-L108 HydrophobicContact CG2-CG 4Å; S78-L108 PolarHBondContact N-O 3.27Å; L108-L110 HydrophobicContact CD1-CD2 3.73Å; L108-L110 HydrophobicContact CD2-CD2 3.89Å; L108-L110 HydrophobicContact CD2-CG 4.36Å; L108-L110 HydrophobicContact CG-CD2 3.69Å; L108-L110 HydrophobicContact CG-CG 4.13Å; L108-S157 WeakPolarHBondContact CA-O 3.26Å; L108-V181 HydrophobicContact CD1-CB 4.26Å; L108-V181 HydrophobicContact CD1-CG2 4.24Å; L108-V181 HydrophobicContact CD2-CB 3.87Å; L108-V181 HydrophobicContact CD2-CG1 4.03Å; L108-V181 HydrophobicContact CD2-CG2 3.75Å
109Y98.9Very high98.7Very high1 Ų135.7 Ų35.70%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-124.7124.7171-162.5-133.2000111S78 K79 L80 L94 L106 M146 L149 V155 S157 I158 G159S78-Y109 VanDerWaalsContact C-CD2 3.48Å; S78-Y109 WeakPolarHBondContact O-CA 3.31Å; S78-Y109 WeakPolarHBondContact O-CD2 3.4Å; K79-Y109 VanDerWaalsContact C-CE2 3.47Å; L80-Y109 WeakPolarHBondContact CA-OH 3.13Å; L80-Y109 HydrophobicContact CB-CE1 3.89Å; L80-Y109 HydrophobicContact CD1-CE1 4.29Å; L80-Y109 WeakPolarHBondContact CD1-OH 3.22Å; L94-Y109 HydrophobicContact CB-CE1 4.01Å; L94-Y109 HydrophobicContact CD1-CD1 4.19Å; L94-Y109 HydrophobicContact CD1-CD2 4.14Å; L94-Y109 HydrophobicContact CD1-CE1 4.25Å; L94-Y109 HydrophobicContact CD1-CE2 4.18Å; L94-Y109 HydrophobicContact CD1-CG 4.17Å; L106-Y109 HydrophobicContact CD1-CD2 3.6Å; L106-Y109 HydrophobicContact CD1-CE2 4.27Å; L106-Y109 HydrophobicContact CD1-CG 4.2Å; Y109-M146 HydrophobicContact CD1-CE 3.29Å; Y109-M146 HydrophobicContact CD1-SD 3.53Å; Y109-M146 VanDerWaalsContact CD1-SD 3.53Å; Y109-M146 HydrophobicContact CE1-CE 3.98Å; Y109-M146 HydrophobicContact CE1-SD 3.71Å; Y109-M146 HydrophobicContact CG-CE 3.91Å; Y109-M146 WeakPolarHBondContact O-CE 3.32Å; Y109-L149 HydrophobicContact CD1-CD1 3.82Å; Y109-L149 HydrophobicContact CE1-CD1 4.03Å; Y109-V155 HydrophobicContact CG-CG1 4.24Å; Y109-S157 PolarHBondContact N-O 3.45Å; Y109-I158 VanDerWaalsContact O-CA 3.3Å; Y109-I158 WeakPolarHBondContact O-CA 3.33Å; Y109-G159 PolarHBondContact O-N 3.33Å
110L99Very high98.6Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-109141.9-173.2-54.5178.5000111.5T77 S78 K79 L80 L108 H112 G159 V181 Q183T77-L110 HydrophobicContact CG2-CD1 3.94Å; T77-L110 HydrophobicContact CG2-CG 4.14Å; S78-L110 PolarHBondContact O-N 2.96Å; K79-L110 CarbonylContact C-O 3.54Å; K79-L110 VanDerWaalsContact CA-O 3.24Å; K79-L110 WeakPolarHBondContact CA-O 3.39Å; K79-L110 HydrophobicContact CB-CB 4.45Å; K79-L110 HydrophobicContact CG-CB 4.18Å; K79-L110 HydrophobicContact CG-CD1 4.41Å; L80-L110 PolarHBondContact N-O 2.48Å; L108-L110 HydrophobicContact CD1-CD2 3.73Å; L108-L110 HydrophobicContact CD2-CD2 3.89Å; L108-L110 HydrophobicContact CD2-CG 4.36Å; L108-L110 HydrophobicContact CG-CD2 3.69Å; L108-L110 HydrophobicContact CG-CG 4.13Å; L110-H112 PolarHBondContact O-N 3.22Å; L110-G159 WeakPolarHBondContact CA-O 3.24Å; L110-G159 VanDerWaalsContact CD2-C 3.4Å; L110-G159 VanDerWaalsContact CD2-CA 3.47Å; L110-V181 HydrophobicContact CD2-CB 4.47Å; L110-Q183 HydrophobicContact CD1-CB 3.74Å; L110-Q183 HydrophobicContact CD1-CG 4.46Å
111I98.9Very high98.4Very high0 Ų034.3 Ų34.30%017%0.165CC..EExtended strand (participates in β ladder)trans-70.8118.1158.2-59-179.2000107.2W113 T142 W143 M146 G159 L160 S161 F163I111-W113 VanDerWaalsContact CG2-O 3.22Å; I111-W113 WeakPolarHBondContact CG2-O 3.27Å; I111-W113 PolarHBondContact O-N 3.2Å; I111-T142 HydrophobicContact CD1-CG2 3.88Å; I111-T142 HydrophobicContact CG1-CG2 4.28Å; I111-W143 HydrophobicContact CD1-CE3 3.89Å; I111-M146 HydrophobicContact CD1-CG 4.32Å; I111-M146 HydrophobicContact CG1-CE 4.19Å; I111-M146 HydrophobicContact CG1-CG 4.12Å; I111-M146 HydrophobicContact CG1-SD 4.46Å; I111-G159 PolarHBondContact N-O 3.4Å; I111-G159 VanDerWaalsContact N-O 3.1Å; I111-L160 HydrophobicContact CD1-CD2 4.5Å; I111-S161 VanDerWaalsContact O-CB 3.29Å; I111-S161 WeakPolarHBondContact O-CB 3.43Å; I111-S161 PolarHBondContact O-N 3.43Å; I111-F163 HydrophobicContact CB-CE2 4.13Å; I111-F163 HydrophobicContact CB-CZ 4.26Å; I111-F163 HydrophobicContact CG2-CE2 3.96Å; I111-F163 HydrophobicContact CG2-CZ 3.98Å
112H98.9Very high98.3Very high16 Ų1636.9 Ų36.97%0.07419%0.186CC..SBendtrans-68.1-37.6-168.9-155.8142.6000113I48 Y49 K79 L80 W81 L110 S161 N162I48-H112 VanDerWaalsContact CG2-CE1 3.41Å; I48-H112 WeakPolarHBondContact CG2-CE1 3.32Å; Y49-H112 AromaticContact CE1-CE1 3.87Å; K79-H112 HydrophobicContact CB-CB 3.99Å; L80-H112 WeakPolarHBondContact O-CB 3.39Å; L80-H112 PolarHBondContact O-N 3.21Å; W81-H112 HydrophobicContact CE3-CB 4.26Å; W81-H112 AromaticContact CE3-CG 3.98Å; W81-H112 AromaticContact CE3-ND1 3.66Å; W81-H112 AromaticContact CZ3-ND1 3.95Å; L110-H112 PolarHBondContact O-N 3.22Å; H112-S161 CarbonylContact C-O 3.46Å; H112-S161 CarbonylContact O-C 3.59Å; H112-S161 VanDerWaalsContact O-CB 3.26Å; H112-S161 WeakPolarHBondContact O-CB 3.41Å; H112-S161 PolarHBondContact O-OG 3.5Å; H112-S161 VanDerWaalsContact O-OG 3.11Å; H112-N162 PolarHBondContact O-ND2 3.48Å
113W98.9Very high98.1Very high13 Ų1334.9 Ų34.95%0.04918%0.183CC..  trans-143.3153.5177.1-7089.1000110W81 N82 H85 I111 Y115 N162 P300 P319 F320W81-W113 AromaticContact CZ3-CD1 3.88Å; W81-W113 AromaticContact CZ3-NE1 3.99Å; N82-W113 VanDerWaalsContact OD1-CD1 3.26Å; H85-W113 PolarHBondContact CE1-O 3.43Å; H85-W113 PolarHBondContact NE2-O 3.18Å; I111-W113 VanDerWaalsContact CG2-O 3.22Å; I111-W113 WeakPolarHBondContact CG2-O 3.27Å; I111-W113 PolarHBondContact O-N 3.2Å; W113-Y115 HydrophobicContact CB-CD1 4.3Å; W113-Y115 HydrophobicContact CB-CD2 4.44Å; W113-Y115 HydrophobicContact CB-CE1 4.06Å; W113-Y115 HydrophobicContact CB-CE2 4.24Å; W113-Y115 HydrophobicContact CB-CG 4.48Å; W113-Y115 HydrophobicContact CD2-CE1 4.09Å; W113-Y115 AromaticContact CD2-CZ 3.79Å; W113-Y115 AromaticContact CE3-CE1 3.45Å; W113-Y115 HydrophobicContact CE3-CE1 3.45Å; W113-Y115 VanDerWaalsContact CE3-CE1 3.45Å; W113-Y115 AromaticContact CE3-CZ 3.51Å; W113-Y115 HydrophobicContact CG-CE1 4.37Å; W113-Y115 HydrophobicContact CG-CE2 4.41Å; W113-Y115 HydrophobicContact CZ3-CE1 4.21Å; W113-Y115 WeakPolarHBondContact CZ3-OH 3.11Å; W113-Y115 PolarHBondContact O-N 2.61Å; W113-N162 HydrophobicContact CD2-CB 3.92Å; W113-N162 VanDerWaalsContact CE2-ND2 3.31Å; W113-N162 HydrophobicContact CE3-CB 3.39Å; W113-N162 HydrophobicContact CH2-CB 4.12Å; W113-N162 WeakPolarHBondContact CZ2-ND2 3.19Å; W113-N162 HydrophobicContact CZ3-CB 3.53Å; W113-P300 HydrophobicContact CH2-CG 3.61Å; W113-P300 HydrophobicContact CZ2-CG 3.77Å; W113-P300 HydrophobicContact CZ3-CG 4.3Å; W113-P319 HydrophobicContact CE3-CG 4.25Å; W113-P319 HydrophobicContact CZ3-CG 4.14Å; W113-F320 AromaticContact CH2-CE2 3.84Å; W113-F320 HydrophobicContact CH2-CE2 3.84Å; W113-F320 AromaticContact CH2-CZ 3.85Å; W113-F320 HydrophobicContact CH2-CZ 3.85Å; W113-F320 AromaticContact CZ3-CE2 3.67Å; W113-F320 HydrophobicContact CZ3-CE2 3.67Å; W113-F320 AromaticContact CZ3-CZ 3.56Å; W113-F320 HydrophobicContact CZ3-CZ 3.56Å
114P98.6Very high98Very high0 Ų037.3 Ų37.30%019%0.193CC..SBendtrans-78.18.7179.530.8-35.7000114.4Y139 N162 F163 H317 P319P114-Y139 HydrophobicContact CB-CD1 4.24Å; P114-Y139 WeakPolarHBondContact O-CD1 3.29Å; P114-N162 WeakPolarHBondContact CD-O 3.41Å; P114-F163 HydrophobicContact CB-CD1 4.09Å; P114-F163 HydrophobicContact CB-CD2 4.01Å; P114-F163 HydrophobicContact CB-CE1 3.81Å; P114-F163 HydrophobicContact CB-CE2 3.74Å; P114-F163 HydrophobicContact CB-CG 4.17Å; P114-F163 HydrophobicContact CB-CZ 3.62Å; P114-F163 HydrophobicContact CG-CD2 4.37Å; P114-F163 HydrophobicContact CG-CE2 4.42Å; P114-H317 WeakPolarHBondContact CG-O 3.04Å; P114-H317 WeakPolarHBondContact O-CB 3.16Å; P114-P319 HydrophobicContact CG-CB 4.02Å; P114-P319 HydrophobicContact CG-CG 4.04Å
115Y98.5Very high97.9Very high0 Ų029.6 Ų29.60%016%0.158CC..SBendtrans-130.7145.4-178.648.3-95.7000111.7N82 H85 W113 F117 D312 H315 Y318N82-Y115 WeakPolarHBondContact ND2-CE2 3.33Å; H85-Y115 PolarHBondContact CE1-O 2.74Å; W113-Y115 HydrophobicContact CB-CD1 4.3Å; W113-Y115 HydrophobicContact CB-CD2 4.44Å; W113-Y115 HydrophobicContact CB-CE1 4.06Å; W113-Y115 HydrophobicContact CB-CE2 4.24Å; W113-Y115 HydrophobicContact CB-CG 4.48Å; W113-Y115 HydrophobicContact CD2-CE1 4.09Å; W113-Y115 AromaticContact CD2-CZ 3.79Å; W113-Y115 AromaticContact CE3-CE1 3.45Å; W113-Y115 HydrophobicContact CE3-CE1 3.45Å; W113-Y115 VanDerWaalsContact CE3-CE1 3.45Å; W113-Y115 AromaticContact CE3-CZ 3.51Å; W113-Y115 HydrophobicContact CG-CE1 4.37Å; W113-Y115 HydrophobicContact CG-CE2 4.41Å; W113-Y115 HydrophobicContact CZ3-CE1 4.21Å; W113-Y115 WeakPolarHBondContact CZ3-OH 3.11Å; W113-Y115 PolarHBondContact O-N 2.61Å; Y115-F117 HydrophobicContact CD2-CD1 4.49Å; Y115-F117 AromaticContact CD2-CE1 3.83Å; Y115-F117 HydrophobicContact CD2-CE1 3.83Å; Y115-F117 HydrophobicContact CD2-CZ 4.5Å; Y115-F117 AromaticContact CE2-CE1 3.77Å; Y115-F117 HydrophobicContact CE2-CE1 3.77Å; Y115-F117 HydrophobicContact CE2-CZ 4.04Å; Y115-D312 HydrophobicContact CE1-CB 4.38Å; Y115-D312 HydrophobicContact CE2-CB 3.87Å; Y115-D312 VanDerWaalsContact CE2-CG 3.5Å; Y115-D312 VanDerWaalsContact CE2-OD2 3.3Å; Y115-D312 WeakPolarHBondContact CE2-OD2 3.38Å; Y115-D312 VanDerWaalsContact CZ-OD2 3.27Å; Y115-D312 PolarHBondContact OH-OD2 3.48Å; Y115-H315 WeakPolarHBondContact CB-CE1 3.35Å; Y115-H315 VanDerWaalsContact CB-ND1 3.28Å; Y115-H315 WeakPolarHBondContact CB-ND1 3.28Å; Y115-Y318 HydrophobicContact CE1-CD2 4.16Å
116A98.5Very high97.7Very high1 Ų134.7 Ų34.71%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-96.1146.7-176.600000111.7N82 H85 D135N82-A116 WeakPolarHBondContact O-CA 3.29Å; H85-A116 HydrophobicContact CB-CB 3.67Å; A116-D135 HydrophobicContact CB-CB 3.84Å; A116-D135 PolarHBondContact O-N 3.39Å; A116-D135 VanDerWaalsContact O-N 3.17Å
117F98.4Very high97.3Very high2 Ų239.7 Ų39.71%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-101.2159.8164.8-66.5-16.2000109.3W81 N82 T83 Y115 R119 F124 P125 L132 Y134 D135W81-F117 HydrophobicContact CZ2-CD2 4.38Å; W81-F117 AromaticContact CZ2-CE2 3.83Å; W81-F117 HydrophobicContact CZ2-CE2 3.83Å; N82-F117 HydrophobicContact CB-CB 4.09Å; N82-F117 HydrophobicContact CB-CD1 4.14Å; N82-F117 HydrophobicContact CB-CD2 3.51Å; N82-F117 HydrophobicContact CB-CE1 4.42Å; N82-F117 HydrophobicContact CB-CE2 3.85Å; N82-F117 HydrophobicContact CB-CG 3.65Å; N82-F117 HydrophobicContact CB-CZ 4.28Å; N82-F117 VanDerWaalsContact ND2-CZ 3.29Å; N82-F117 WeakPolarHBondContact ND2-CZ 3.35Å; N82-F117 PolarHBondContact O-N 2.86Å; T83-F117 HydrophobicContact CG2-CB 3.66Å; T83-F117 HydrophobicContact CG2-CD2 4.31Å; Y115-F117 HydrophobicContact CD2-CD1 4.49Å; Y115-F117 AromaticContact CD2-CE1 3.83Å; Y115-F117 HydrophobicContact CD2-CE1 3.83Å; Y115-F117 HydrophobicContact CD2-CZ 4.5Å; Y115-F117 AromaticContact CE2-CE1 3.77Å; Y115-F117 HydrophobicContact CE2-CE1 3.77Å; Y115-F117 HydrophobicContact CE2-CZ 4.04Å; F117-R119 PolarHBondContact O-N 3.09Å; F117-F124 HydrophobicContact CE2-CD1 4.14Å; F117-F124 HydrophobicContact CE2-CE1 4.45Å; F117-P125 HydrophobicContact CB-CG 3.88Å; F117-L132 HydrophobicContact CD1-CD1 4.09Å; F117-L132 HydrophobicContact CD2-CD1 4.21Å; F117-L132 HydrophobicContact CE1-CD1 3.42Å; F117-L132 VanDerWaalsContact CE1-CD1 3.42Å; F117-L132 HydrophobicContact CE2-CD1 3.55Å; F117-L132 HydrophobicContact CG-CD1 4.47Å; F117-L132 HydrophobicContact CZ-CD1 3.12Å; F117-Y134 AromaticContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CE1 4.03Å; F117-Y134 AromaticContact CE1-CD1 3.98Å; F117-Y134 HydrophobicContact CE1-CD1 3.98Å; F117-Y134 AromaticContact CE1-CE1 3.73Å; F117-Y134 HydrophobicContact CE1-CE1 3.73Å; F117-D135 WeakPolarHBondContact O-CB 3.22Å
118Q98.4Very high96.9Very high90 Ų9049.6 Ų49.642%0.42125%0.245SC..PPolyproline II helixtrans-47.4127.9176.2-175.8-176.643.500110.9G120 P125 L133Q118-G120 PolarHBondContact O-N 3.46Å; Q118-P125 HydrophobicContact CB-CB 4.14Å; Q118-P125 HydrophobicContact CB-CG 3.9Å; Q118-L133 HydrophobicContact CB-CB 3.76Å; Q118-L133 PolarHBondContact N-O 2.66Å
119R98.1Very high96.3Very high108 Ų10853.5 Ų53.541%0.40827%0.266SS..SBendtrans-55.4127.8178-173.9176.1-177.3-173.30.8110.6H86 E88 D89 F117H86-R119 PolarHBondContact ND1-NH1 2.9Å; E88-R119 IonicContact OE2-CZ 3.6Å; E88-R119 IonicContact OE2-NH1 2.77Å; E88-R119 PolarHBondContact OE2-NH1 3.21Å; E88-R119 IonicContact OE2-NH2 2.64Å; E88-R119 PolarHBondContact OE2-NH2 2.96Å; D89-R119 VanDerWaalsContact CG-NE 3.3Å; D89-R119 IonicContact OD1-CZ 3.85Å; D89-R119 VanDerWaalsContact OD1-CZ 3.31Å; D89-R119 IonicContact OD1-NE 3.76Å; D89-R119 PolarHBondContact OD1-NE 2.92Å; D89-R119 IonicContact OD1-NH2 3.3Å; D89-R119 PolarHBondContact OD1-NH2 3.21Å; D89-R119 VanDerWaalsContact OD2-CD 3.29Å; D89-R119 WeakPolarHBondContact OD2-CD 3.15Å; D89-R119 VanDerWaalsContact OD2-CG 3.22Å; D89-R119 WeakPolarHBondContact OD2-CG 3.45Å; D89-R119 IonicContact OD2-CZ 2.93Å; D89-R119 IonicContact OD2-NE 3.06Å; D89-R119 PolarHBondContact OD2-NE 3.37Å; D89-R119 IonicContact OD2-NH2 2.75Å; F117-R119 PolarHBondContact O-N 3.09Å
120G96.1Very high95.8Very high27 Ų2754.4 Ų54.428%0.27828%0.275SS..SBendtrans158.7176.3179.100000113.7R84 Q118R84-G120 VanDerWaalsContact CZ-O 3.26Å; R84-G120 PolarHBondContact NH1-O 3.32Å; R84-G120 PolarHBondContact NH2-O 2.88Å; Q118-G120 PolarHBondContact O-N 3.46Å
121D95.1Very high95.3Very high141 Ų14155.7 Ų55.775%0.75428%0.284SS*.SBendtrans-80.8-20.9-175.6-66.6-29.7000114.1R84 P123R84-D121 IonicContact CZ-OD1 3.73Å; R84-D121 IonicContact NH1-OD1 3.77Å; R84-D121 IonicContact NH2-OD1 2.78Å; R84-D121 PolarHBondContact NH2-OD1 2.91Å; D121-P123 VanDerWaalsContact O-CD 3.26Å; D121-P123 WeakPolarHBondContact O-CD 3.43Å
122A96.6Very high95.1Very high54 Ų5455.7 Ų55.745%0.44629%0.285SS..  trans-70.1115.3172.600000109.2T83 F124 P125T83-A122 WeakPolarHBondContact CG2-O 3.31Å; A122-F124 PolarHBondContact O-N 2.8Å; A122-P125 WeakPolarHBondContact O-CD 3.44Å
123P94.7Very high94.9Very high57 Ų5757.2 Ų57.237%0.3729%0.293SS..SBendtrans-68-21.8-176.325.8-34000113.4I48 W81 D121I48-P123 HydrophobicContact CD1-CB 3.51Å; I48-P123 HydrophobicContact CD1-CG 4.36Å; W81-P123 PolarHBondContact NE1-O 3.34Å; D121-P123 VanDerWaalsContact O-CD 3.26Å; D121-P123 WeakPolarHBondContact O-CD 3.43Å
124F96Very high94.9Very high75 Ų7560.5 Ų60.533%0.32931%0.306SS..SBendtrans-128.478.4175.3-61.1-77.4000108.1I48 W81 F117 A122 R126 L132 R311I48-F124 HydrophobicContact CD1-CE2 3.91Å; I48-F124 HydrophobicContact CD1-CZ 4.03Å; I48-F124 HydrophobicContact CG1-CZ 4.26Å; W81-F124 AromaticContact CH2-CE1 3.92Å; W81-F124 HydrophobicContact CH2-CE1 3.92Å; W81-F124 HydrophobicContact CH2-CZ 4.13Å; W81-F124 HydrophobicContact CZ2-CD1 4.12Å; W81-F124 AromaticContact CZ2-CE1 3.4Å; W81-F124 HydrophobicContact CZ2-CE1 3.4Å; W81-F124 VanDerWaalsContact CZ2-CE1 3.4Å; W81-F124 AromaticContact CZ2-CZ 3.68Å; W81-F124 HydrophobicContact CZ2-CZ 3.68Å; F117-F124 HydrophobicContact CE2-CD1 4.14Å; F117-F124 HydrophobicContact CE2-CE1 4.45Å; A122-F124 PolarHBondContact O-N 2.8Å; F124-R126 PolarHBondContact O-N 3.09Å; F124-L132 HydrophobicContact CB-CD2 4.05Å; F124-R311 VanDerWaalsContact CE1-NH1 3.34Å
125P96.5Very high94.8Very high11 Ų1162.5 Ų62.57%0.07132%0.317CS..  trans-68.4129.3-18030.9-34.5000108.9T83 F117 Q118 A122 L132 L133T83-P125 HydrophobicContact CG2-CG 4.25Å; F117-P125 HydrophobicContact CB-CG 3.88Å; Q118-P125 HydrophobicContact CB-CB 4.14Å; Q118-P125 HydrophobicContact CB-CG 3.9Å; A122-P125 WeakPolarHBondContact O-CD 3.44Å; P125-L132 CarbonylContact O-C 3.6Å; P125-L132 WeakPolarHBondContact O-CA 3.24Å; P125-L132 VanDerWaalsContact O-CD2 3.29Å; P125-L132 WeakPolarHBondContact O-CD2 3.26Å; P125-L133 HydrophobicContact CB-CB 4.12Å; P125-L133 HydrophobicContact CB-CD1 4.5Å; P125-L133 HydrophobicContact CG-CB 4.27Å; P125-L133 PolarHBondContact O-N 2.59Å
126R94.3Very high94.7Very high132 Ų13269.7 Ų69.750%0.49836%0.355SS..BIsolated β-bridgetrans-122.7146.4-170.9-72.3171.3-173.4-95.64.2111.8F124 G130 S131 L132 L133 I302F124-R126 PolarHBondContact O-N 3.09Å; R126-G130 PolarHBondContact NH1-O 2.94Å; R126-S131 CarbonylContact C-O 3.53Å; R126-S131 VanDerWaalsContact CA-O 3.24Å; R126-S131 WeakPolarHBondContact CA-O 3.35Å; R126-L132 HydrophobicContact CG-CD2 4Å; R126-L133 WeakPolarHBondContact O-CD1 3.21Å; R126-I302 VanDerWaalsContact NH1-CD1 3.3Å
127K91.3Very high94.7Very high104 Ų10470.3 Ų70.345%0.45236%0.359SS..  trans-76.2171.1163.9-61.7-174.3-164.9169.80110.4D129 G130 S131 L133K127-D129 WeakPolarHBondContact CB-OD1 3.39Å; K127-D129 PolarHBondContact O-N 3.41Å; K127-G130 PolarHBondContact O-N 3.36Å; K127-G130 VanDerWaalsContact O-N 3.08Å; K127-S131 WeakPolarHBondContact CD-OG 3.44Å; K127-S131 PolarHBondContact N-O 3.24Å; K127-L133 HydrophobicContact CD-CD2 4.25Å; K127-L133 HydrophobicContact CG-CD2 3.48Å; K127-L133 VanDerWaalsContact CG-CD2 3.48Å; K127-L133 HydrophobicContact CG-CG 3.74Å
128E90.4Very high94.7Very high210 Ų21071.8 Ų71.898%0.98137%0.367SS*.THydrogen-bonded Turntrans-59.5-33.6174.4-64.6-177.6172.200112.8G130E128-G130 PolarHBondContact O-N 3.42Å
129D87.4Confident94.7Very high82 Ų8267.7 Ų67.744%0.43935%0.347SS..THydrogen-bonded Turntrans-74.5-0.4177.268.312.2000114.2K127 S131K127-D129 WeakPolarHBondContact CB-OD1 3.39Å; K127-D129 PolarHBondContact O-N 3.41Å; D129-S131 VanDerWaalsContact C-N 3.32Å; D129-S131 PolarHBondContact O-N 3.4Å; D129-S131 WeakPolarHBondContact OD1-CA 3.21Å; D129-S131 WeakPolarHBondContact OD1-CB 3.04Å; D129-S131 PolarHBondContact OD1-N 2.92Å; D129-S131 PolarHBondContact OD1-OG 2.88Å; D129-S131 PolarHBondContact OD2-OG 3.01Å
130G86.9Confident94.7Very high19 Ų1966.1 Ų66.120%0.19634%0.343CS..SBendtrans86.4-11.3-179.400000115.1R126 K127 E128 I302R126-G130 PolarHBondContact NH1-O 2.94Å; K127-G130 PolarHBondContact O-N 3.36Å; K127-G130 VanDerWaalsContact O-N 3.08Å; E128-G130 PolarHBondContact O-N 3.42Å; G130-I302 VanDerWaalsContact O-CD1 3.28Å; G130-I302 WeakPolarHBondContact O-CD1 3.33Å
131S88.9Confident94.8Very high27 Ų2767.6 Ų67.619%0.18935%0.347CS..PPolyproline II helixtrans-69.5162.2174.973.10000112.1R126 K127 D129R126-S131 CarbonylContact C-O 3.53Å; R126-S131 VanDerWaalsContact CA-O 3.24Å; R126-S131 WeakPolarHBondContact CA-O 3.35Å; K127-S131 WeakPolarHBondContact CD-OG 3.44Å; K127-S131 PolarHBondContact N-O 3.24Å; D129-S131 VanDerWaalsContact C-N 3.32Å; D129-S131 PolarHBondContact O-N 3.4Å; D129-S131 WeakPolarHBondContact OD1-CA 3.21Å; D129-S131 WeakPolarHBondContact OD1-CB 3.04Å; D129-S131 PolarHBondContact OD1-N 2.92Å; D129-S131 PolarHBondContact OD1-OG 2.88Å; D129-S131 PolarHBondContact OD2-OG 3.01Å
132L94.3Very high95Very high1 Ų160.9 Ų60.91%0.00531%0.311CS..BIsolated β-bridgetrans-79148.1-179.1-70.5-171.9000113.2F117 F124 P125 R126 Y134 I302 R311F117-L132 HydrophobicContact CD1-CD1 4.09Å; F117-L132 HydrophobicContact CD2-CD1 4.21Å; F117-L132 HydrophobicContact CE1-CD1 3.42Å; F117-L132 VanDerWaalsContact CE1-CD1 3.42Å; F117-L132 HydrophobicContact CE2-CD1 3.55Å; F117-L132 HydrophobicContact CG-CD1 4.47Å; F117-L132 HydrophobicContact CZ-CD1 3.12Å; F124-L132 HydrophobicContact CB-CD2 4.05Å; P125-L132 CarbonylContact O-C 3.6Å; P125-L132 WeakPolarHBondContact O-CA 3.24Å; P125-L132 VanDerWaalsContact O-CD2 3.29Å; P125-L132 WeakPolarHBondContact O-CD2 3.26Å; R126-L132 HydrophobicContact CG-CD2 4Å; L132-Y134 HydrophobicContact CB-CE1 4.28Å; L132-Y134 HydrophobicContact CB-CE2 4.32Å; L132-Y134 WeakPolarHBondContact O-CE2 3.12Å; L132-I302 HydrophobicContact CD2-CD1 4.48Å; L132-I302 HydrophobicContact CG-CD1 4.22Å; L132-R311 HydrophobicContact CD1-CG 3.81Å; L132-R311 HydrophobicContact CG-CG 4.06Å
133L96.1Very high95.1Very high47 Ų4758.4 Ų58.425%0.24629%0.29CS..PPolyproline II helixtrans-88.2119166-72.2164.3000109Q118 P125 R126 K127Q118-L133 HydrophobicContact CB-CB 3.76Å; Q118-L133 PolarHBondContact N-O 2.66Å; P125-L133 HydrophobicContact CB-CB 4.12Å; P125-L133 HydrophobicContact CB-CD1 4.5Å; P125-L133 HydrophobicContact CG-CB 4.27Å; P125-L133 PolarHBondContact O-N 2.59Å; R126-L133 WeakPolarHBondContact O-CD1 3.21Å; K127-L133 HydrophobicContact CD-CD2 4.25Å; K127-L133 HydrophobicContact CG-CD2 3.48Å; K127-L133 VanDerWaalsContact CG-CD2 3.48Å; K127-L133 HydrophobicContact CG-CG 3.74Å
134Y97.6Very high95.3Very high82 Ų8257.9 Ų57.932%0.32229%0.291SS..EExtended strand (participates in β ladder)trans-96164.4179.3-59.1-78.1000111.4F117 L132 R311 D312 H315F117-Y134 AromaticContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CE1 4.03Å; F117-Y134 AromaticContact CE1-CD1 3.98Å; F117-Y134 HydrophobicContact CE1-CD1 3.98Å; F117-Y134 AromaticContact CE1-CE1 3.73Å; F117-Y134 HydrophobicContact CE1-CE1 3.73Å; L132-Y134 HydrophobicContact CB-CE1 4.28Å; L132-Y134 HydrophobicContact CB-CE2 4.32Å; L132-Y134 WeakPolarHBondContact O-CE2 3.12Å; Y134-R311 PolarHBondContact OH-O 2.81Å; Y134-D312 PolarHBondContact OH-OD1 2.77Å; Y134-H315 AromaticContact CD1-CD2 3.36Å; Y134-H315 WeakPolarHBondContact CD1-CD2 3.37Å; Y134-H315 AromaticContact CD1-NE2 3.96Å; Y134-H315 AromaticContact CE1-CD2 3.79Å; Y134-H315 AromaticContact CG-CD2 3.68Å
135D97.4Very high95.4Very high43 Ų4355 Ų5523%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-125.4152.2170.6-173.8-83.7000108.5A116 F117 T137A116-D135 HydrophobicContact CB-CB 3.84Å; A116-D135 PolarHBondContact O-N 3.39Å; A116-D135 VanDerWaalsContact O-N 3.17Å; F117-D135 WeakPolarHBondContact O-CB 3.22Å; D135-T137 WeakPolarHBondContact OD1-CB 3.26Å; D135-T137 PolarHBondContact OD1-N 3.49Å; D135-T137 PolarHBondContact OD1-OG1 3.34Å
136D96.7Very high95.6Very high150 Ų15054.5 Ų54.580%0.80228%0.278SS*.  trans-94.37.4-17566-16.2000113.7D138D136-D138 PolarHBondContact O-N 2.98Å
137T98.1Very high95.8Very high14 Ų1448.8 Ų48.89%0.08626%0.257CS..  trans-55.7111175.3-61.80000111.2H85 D135 Y139 V141H85-T137 HydrophobicContact CB-CG2 4.04Å; H85-T137 WeakPolarHBondContact O-CG2 3.28Å; D135-T137 WeakPolarHBondContact OD1-CB 3.26Å; D135-T137 PolarHBondContact OD1-N 3.49Å; D135-T137 PolarHBondContact OD1-OG1 3.34Å; T137-Y139 PolarHBondContact O-N 2.85Å; T137-V141 HydrophobicContact CG2-CG2 3.48Å; T137-V141 VanDerWaalsContact CG2-CG2 3.48Å
138D98Very high96.1Very high33 Ų3348.6 Ų48.618%0.17626%0.256CS..  trans-63.7130.3175.2-174.1-31.6000110.1D136 K140 V141 T142 Y170D136-D138 PolarHBondContact O-N 2.98Å; D138-K140 HydrophobicContact CB-CG 4.26Å; D138-K140 PolarHBondContact O-N 3.3Å; D138-K140 WeakPolarHBondContact OD1-CG 3.45Å; D138-K140 PolarHBondContact OD1-N 2.93Å; D138-K140 WeakPolarHBondContact OD2-CD 3.43Å; D138-K140 WeakPolarHBondContact OD2-CE 3.28Å; D138-K140 IonicContact OD2-NZ 2.81Å; D138-K140 PolarHBondContact OD2-NZ 3.46Å; D138-V141 WeakPolarHBondContact O-CG2 3.16Å; D138-V141 PolarHBondContact O-N 2.92Å; D138-T142 PolarHBondContact O-N 3.19Å; D138-Y170 PolarHBondContact OD2-OH 3.05Å
139Y98.4Very high96.5Very high4 Ų438.7 Ų38.72%0.01621%0.21CC..Hα-helixtrans-59.3-16.2-178.951.4-90.8000113.7P114 T137 W143 F163 Q167 Y170 I171 H317P114-Y139 HydrophobicContact CB-CD1 4.24Å; P114-Y139 WeakPolarHBondContact O-CD1 3.29Å; T137-Y139 PolarHBondContact O-N 2.85Å; Y139-W143 WeakPolarHBondContact O-CB 3.41Å; Y139-W143 PolarHBondContact O-N 2.88Å; Y139-F163 HydrophobicContact CD2-CD1 4.5Å; Y139-F163 AromaticContact CD2-CE1 3.54Å; Y139-F163 HydrophobicContact CD2-CE1 3.54Å; Y139-F163 HydrophobicContact CD2-CZ 4.26Å; Y139-F163 HydrophobicContact CE2-CE1 4.02Å; Y139-F163 AromaticContact CG-CE1 3.93Å; Y139-F163 HydrophobicContact CG-CE1 3.93Å; Y139-F163 HydrophobicContact CG-CZ 4.25Å; Y139-Q167 HydrophobicContact CE2-CB 4.25Å; Y139-Y170 AromaticContact CE2-CD1 3.55Å; Y139-Y170 HydrophobicContact CE2-CD1 3.55Å; Y139-Y170 HydrophobicContact CE2-CE1 4.26Å; Y139-Y170 AromaticContact CZ-CD1 3.67Å; Y139-Y170 WeakPolarHBondContact OH-CD1 3.27Å; Y139-I171 HydrophobicContact CD2-CD1 3.67Å; Y139-I171 HydrophobicContact CD2-CG1 3.95Å; Y139-I171 HydrophobicContact CE2-CD1 4.18Å; Y139-I171 HydrophobicContact CE2-CG1 4.15Å; Y139-H317 AromaticContact CD1-CD2 3.9Å; Y139-H317 HydrophobicContact CE1-CB 4.34Å; Y139-H317 AromaticContact CE1-CD2 3.94Å; Y139-H317 AromaticContact CE1-CG 3.85Å; Y139-H317 AromaticContact CE1-ND1 3.96Å
140K98.2Very high97.1Very high75 Ų7536.4 Ų36.433%0.32620%0.199SC..Hα-helixtrans-67.6-36.3170.983.1-167.4178-137.90113.6D138 W143 A144 Y170 I171 V174D138-K140 HydrophobicContact CB-CG 4.26Å; D138-K140 PolarHBondContact O-N 3.3Å; D138-K140 WeakPolarHBondContact OD1-CG 3.45Å; D138-K140 PolarHBondContact OD1-N 2.93Å; D138-K140 WeakPolarHBondContact OD2-CD 3.43Å; D138-K140 WeakPolarHBondContact OD2-CE 3.28Å; D138-K140 IonicContact OD2-NZ 2.81Å; D138-K140 PolarHBondContact OD2-NZ 3.46Å; K140-W143 WeakPolarHBondContact O-CB 3.5Å; K140-W143 PolarHBondContact O-N 3.31Å; K140-A144 PolarHBondContact O-N 3.06Å; K140-Y170 HydrophobicContact CB-CE1 4.25Å; K140-Y170 HydrophobicContact CD-CE1 3.97Å; K140-Y170 WeakPolarHBondContact CD-OH 3.27Å; K140-Y170 PolarHBondContact NZ-OH 3.04Å; K140-I171 HydrophobicContact CB-CD1 4.48Å; K140-V174 HydrophobicContact CB-CG2 4.25Å
141V98.4Very high97.6Very high58 Ų5841.2 Ų41.235%0.35222%0.216SC..Hα-helixtrans-75.9-34.2179.3-59.10000109.9P87 T137 D138 W143 A144 A145P87-V141 HydrophobicContact CG-CB 4.26Å; P87-V141 HydrophobicContact CG-CG2 4.22Å; T137-V141 HydrophobicContact CG2-CG2 3.48Å; T137-V141 VanDerWaalsContact CG2-CG2 3.48Å; D138-V141 WeakPolarHBondContact O-CG2 3.16Å; D138-V141 PolarHBondContact O-N 2.92Å; V141-W143 VanDerWaalsContact C-N 3.34Å; V141-A144 PolarHBondContact O-N 3.04Å; V141-A145 PolarHBondContact O-N 3.18Å
142T98.9Very high98.1Very high0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-60.6-43.9167.1-47.80000110.8L80 H85 V90 I111 D138 A145 M146L80-T142 HydrophobicContact CD2-CG2 3.47Å; L80-T142 VanDerWaalsContact CD2-CG2 3.47Å; H85-T142 HydrophobicContact CB-CG2 4.38Å; H85-T142 WeakPolarHBondContact O-CB 3.43Å; H85-T142 PolarHBondContact O-OG1 3.36Å; V90-T142 HydrophobicContact CG2-CG2 4.09Å; I111-T142 HydrophobicContact CD1-CG2 3.88Å; I111-T142 HydrophobicContact CG1-CG2 4.28Å; D138-T142 PolarHBondContact O-N 3.19Å; T142-A145 WeakPolarHBondContact O-CB 3.4Å; T142-A145 PolarHBondContact O-N 2.77Å; T142-M146 VanDerWaalsContact O-CG 3.27Å; T142-M146 WeakPolarHBondContact O-CG 3.44Å; T142-M146 PolarHBondContact O-N 3Å
143W98.9Very high98.3Very high2 Ų246.7 Ų46.71%0.00824%0.244CC..Hα-helixtrans-59-48.8177.1-172.7-98.4000112.3I111 Y139 K140 V141 A145 M146 E147 I158 L160 I171 I177 P179I111-W143 HydrophobicContact CD1-CE3 3.89Å; Y139-W143 WeakPolarHBondContact O-CB 3.41Å; Y139-W143 PolarHBondContact O-N 2.88Å; K140-W143 WeakPolarHBondContact O-CB 3.5Å; K140-W143 PolarHBondContact O-N 3.31Å; V141-W143 VanDerWaalsContact C-N 3.34Å; W143-A145 PolarHBondContact O-N 2.82Å; W143-M146 WeakPolarHBondContact O-CA 3.3Å; W143-M146 VanDerWaalsContact O-CB 3.3Å; W143-M146 WeakPolarHBondContact O-CB 3.33Å; W143-M146 PolarHBondContact O-N 3.37Å; W143-E147 PolarHBondContact NE1-OE1 2.81Å; W143-E147 WeakPolarHBondContact O-CG 3.36Å; W143-E147 PolarHBondContact O-N 3.46Å; W143-I158 HydrophobicContact CD2-CD1 4.44Å; W143-I158 HydrophobicContact CH2-CB 3.93Å; W143-I158 HydrophobicContact CH2-CD1 3.56Å; W143-I158 HydrophobicContact CH2-CG1 3.52Å; W143-I158 HydrophobicContact CZ2-CD1 3.37Å; W143-I158 HydrophobicContact CZ2-CG1 3.71Å; W143-I158 HydrophobicContact CZ3-CB 4.33Å; W143-I158 HydrophobicContact CZ3-CD1 4.18Å; W143-I158 HydrophobicContact CZ3-CG1 4.31Å; W143-L160 HydrophobicContact CE3-CD2 3.75Å; W143-L160 HydrophobicContact CH2-CD2 4.44Å; W143-L160 HydrophobicContact CZ3-CD2 3.53Å; W143-L160 HydrophobicContact CZ3-CG 4.23Å; W143-I171 HydrophobicContact CB-CD1 3.64Å; W143-I171 HydrophobicContact CD2-CD1 4.34Å; W143-I171 HydrophobicContact CD2-CG2 3.7Å; W143-I171 HydrophobicContact CE3-CG2 4.2Å; W143-I171 HydrophobicContact CG-CD1 3.87Å; W143-I171 HydrophobicContact CG-CG2 3.98Å; W143-I171 HydrophobicContact CZ2-CG2 4.19Å; W143-I177 WeakPolarHBondContact CZ2-O 3.31Å; W143-I177 PolarHBondContact NE1-O 2.81Å; W143-P179 HydrophobicContact CH2-CB 3.51Å; W143-P179 HydrophobicContact CH2-CG 4.34Å; W143-P179 HydrophobicContact CZ2-CB 3.88Å; W143-P179 HydrophobicContact CZ2-CG 4.27Å; W143-P179 HydrophobicContact CZ3-CB 4.32Å
144A98.8Very high98.4Very high47 Ų4746 Ų4639%0.38824%0.24SC..Hα-helixtrans-56.5-36.717700000112.5K140 V141 E147K140-A144 PolarHBondContact O-N 3.06Å; V141-A144 PolarHBondContact O-N 3.04Å; A144-E147 PolarHBondContact O-N 3.19Å
145A98.9Very high98.5Very high15 Ų1542.1 Ų42.112%0.12423%0.225CC..Hα-helixtrans-70.2-36.3173.500000112.7P87 V90 V141 T142 W143 E147 K148P87-A145 HydrophobicContact CB-CB 4.05Å; V90-A145 HydrophobicContact CB-CB 3.94Å; V90-A145 HydrophobicContact CG1-CB 4.14Å; V90-A145 HydrophobicContact CG2-CB 3.8Å; V141-A145 PolarHBondContact O-N 3.18Å; T142-A145 WeakPolarHBondContact O-CB 3.4Å; T142-A145 PolarHBondContact O-N 2.77Å; W143-A145 PolarHBondContact O-N 2.82Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 2.74Å; A145-K148 WeakPolarHBondContact O-CB 3.36Å; A145-K148 PolarHBondContact O-N 3.47Å
146M98.9Very high98.5Very high0 Ų045.3 Ų45.30%023%0.234CC..Hα-helixtrans-62.4-36.8173.7-65.1-79-71.800112L80 V90 Y109 I111 T142 W143 K148 L149 I158L80-M146 HydrophobicContact CB-SD 4.45Å; L80-M146 HydrophobicContact CD2-SD 4.05Å; V90-M146 HydrophobicContact CG1-CG 4.14Å; V90-M146 HydrophobicContact CG1-SD 3.71Å; Y109-M146 HydrophobicContact CD1-CE 3.29Å; Y109-M146 HydrophobicContact CD1-SD 3.53Å; Y109-M146 VanDerWaalsContact CD1-SD 3.53Å; Y109-M146 HydrophobicContact CE1-CE 3.98Å; Y109-M146 HydrophobicContact CE1-SD 3.71Å; Y109-M146 HydrophobicContact CG-CE 3.91Å; Y109-M146 WeakPolarHBondContact O-CE 3.32Å; I111-M146 HydrophobicContact CD1-CG 4.32Å; I111-M146 HydrophobicContact CG1-CE 4.19Å; I111-M146 HydrophobicContact CG1-CG 4.12Å; I111-M146 HydrophobicContact CG1-SD 4.46Å; T142-M146 VanDerWaalsContact O-CG 3.27Å; T142-M146 WeakPolarHBondContact O-CG 3.44Å; T142-M146 PolarHBondContact O-N 3Å; W143-M146 WeakPolarHBondContact O-CA 3.3Å; W143-M146 VanDerWaalsContact O-CB 3.3Å; W143-M146 WeakPolarHBondContact O-CB 3.33Å; W143-M146 PolarHBondContact O-N 3.37Å; M146-K148 VanDerWaalsContact C-N 3.27Å; M146-K148 PolarHBondContact O-N 2.94Å; M146-L149 WeakPolarHBondContact O-CB 3.42Å; M146-L149 PolarHBondContact O-N 2.95Å; M146-L149 VanDerWaalsContact O-N 3.12Å; M146-L149 HydrophobicContact SD-CD1 3.96Å; M146-I158 HydrophobicContact CB-CD1 4.18Å; M146-I158 HydrophobicContact CB-CG2 4.32Å; M146-I158 HydrophobicContact CE-CG2 4.14Å
147E98.9Very high98.6Very high12 Ų1238.3 Ų38.36%0.05620%0.196CC..Hα-helixtrans-60.4-37.5176.2-63.1-177.8146.600111.8W143 A144 A145 L149 V150 E151 I158 A175 S176 I177W143-E147 PolarHBondContact NE1-OE1 2.81Å; W143-E147 WeakPolarHBondContact O-CG 3.36Å; W143-E147 PolarHBondContact O-N 3.46Å; A144-E147 PolarHBondContact O-N 3.19Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 2.74Å; E147-L149 PolarHBondContact O-N 2.72Å; E147-V150 WeakPolarHBondContact O-CB 3.32Å; E147-V150 PolarHBondContact O-N 3.48Å; E147-V150 VanDerWaalsContact O-N 3.07Å; E147-E151 PolarHBondContact O-N 2.88Å; E147-E151 VanDerWaalsContact O-N 3.16Å; E147-I158 HydrophobicContact CG-CD1 3.89Å; E147-A175 WeakPolarHBondContact OE1-CA 3.26Å; E147-S176 PolarHBondContact OE1-N 2.76Å; E147-I177 HydrophobicContact CB-CD1 4.1Å; E147-I177 HydrophobicContact CB-CG1 4.38Å; E147-I177 HydrophobicContact CG-CB 4.07Å; E147-I177 HydrophobicContact CG-CG1 4.36Å; E147-I177 PolarHBondContact OE1-N 2.73Å
148K98.9Very high98.7Very high100 Ų10037.6 Ų37.644%0.43519%0.192SC..Hα-helixtrans-63.5-27.6176.2-58.8-48.8-179.3-171.30113.5A145 M146 V150 E151 K152A145-K148 WeakPolarHBondContact O-CB 3.36Å; A145-K148 PolarHBondContact O-N 3.47Å; M146-K148 VanDerWaalsContact C-N 3.27Å; M146-K148 PolarHBondContact O-N 2.94Å; K148-V150 VanDerWaalsContact C-N 3.31Å; K148-E151 WeakPolarHBondContact CD-OE2 3.44Å; K148-E151 IonicContact NZ-OE1 3.73Å; K148-E151 PolarHBondContact NZ-OE1 2.93Å; K148-E151 IonicContact NZ-OE2 2.59Å; K148-E151 PolarHBondContact NZ-OE2 3.26Å; K148-E151 PolarHBondContact O-N 3.21Å; K148-K152 WeakPolarHBondContact O-CB 3.22Å; K148-K152 VanDerWaalsContact O-CG 3.32Å; K148-K152 WeakPolarHBondContact O-CG 3.35Å; K148-K152 PolarHBondContact O-N 3.26Å
149L98.9Very high98.7Very high1 Ų136 Ų361%0.00518%0.184CC..Hα-helixtrans-68.7-33.9175.4-48.1179.1000111.6V90 E91 L94 Y109 M146 E147 G153 L154 V155V90-L149 HydrophobicContact CG1-CD1 3.69Å; V90-L149 HydrophobicContact CG1-CD2 4.39Å; V90-L149 HydrophobicContact CG1-CG 4.25Å; E91-L149 HydrophobicContact CB-CD2 3.66Å; E91-L149 HydrophobicContact CG-CD2 4.03Å; L94-L149 HydrophobicContact CB-CD1 4.2Å; L94-L149 HydrophobicContact CD2-CB 3.92Å; L94-L149 HydrophobicContact CD2-CD1 3.59Å; L94-L149 HydrophobicContact CD2-CD2 4.1Å; L94-L149 HydrophobicContact CD2-CG 4.07Å; L94-L149 HydrophobicContact CG-CD1 4.49Å; Y109-L149 HydrophobicContact CD1-CD1 3.82Å; Y109-L149 HydrophobicContact CE1-CD1 4.03Å; M146-L149 WeakPolarHBondContact O-CB 3.42Å; M146-L149 PolarHBondContact O-N 2.95Å; M146-L149 VanDerWaalsContact O-N 3.12Å; M146-L149 HydrophobicContact SD-CD1 3.96Å; E147-L149 PolarHBondContact O-N 2.72Å; L149-G153 PolarHBondContact O-N 2.79Å; L149-L154 PolarHBondContact O-N 3.17Å; L149-V155 HydrophobicContact CB-CG2 3.56Å
150V98.8Very high98.7Very high35 Ų3535.9 Ų35.921%0.21218%0.183CC..Hα-helixtrans-69.8-46175.5-175.30000109.9E147 K148 K152 G153 V155 I158 I177E147-V150 WeakPolarHBondContact O-CB 3.32Å; E147-V150 PolarHBondContact O-N 3.48Å; E147-V150 VanDerWaalsContact O-N 3.07Å; K148-V150 VanDerWaalsContact C-N 3.31Å; V150-K152 PolarHBondContact O-N 3.41Å; V150-G153 WeakPolarHBondContact O-CA 3.43Å; V150-G153 PolarHBondContact O-N 2.87Å; V150-V155 HydrophobicContact CB-CG2 4.3Å; V150-V155 HydrophobicContact CG2-CG2 3.64Å; V150-I158 HydrophobicContact CG2-CB 4.48Å; V150-I158 HydrophobicContact CG2-CD1 4.15Å; V150-I158 HydrophobicContact CG2-CG1 4.07Å; V150-I158 HydrophobicContact CG2-CG2 3.69Å; V150-I177 HydrophobicContact CB-CD1 3.61Å; V150-I177 HydrophobicContact CG1-CD1 3.82Å; V150-I177 HydrophobicContact CG2-CD1 4.04Å
151E98.5Very high98.8Very high120 Ų12032.3 Ų32.356%0.56117%0.168SC*.Hα-helixtrans-56.6-36.7176-67.3173.5-166.300111.9E147 K148 G153E147-E151 PolarHBondContact O-N 2.88Å; E147-E151 VanDerWaalsContact O-N 3.16Å; K148-E151 WeakPolarHBondContact CD-OE2 3.44Å; K148-E151 IonicContact NZ-OE1 3.73Å; K148-E151 PolarHBondContact NZ-OE1 2.93Å; K148-E151 IonicContact NZ-OE2 2.59Å; K148-E151 PolarHBondContact NZ-OE2 3.26Å; K148-E151 PolarHBondContact O-N 3.21Å; E151-G153 VanDerWaalsContact C-N 3.28Å; E151-G153 PolarHBondContact O-N 3.23Å
152K98.7Very high98.8Very high116 Ų11629.7 Ų29.750%0.50415%0.152SC..THydrogen-bonded Turntrans-77.6-6.2175.4-71.6178.2171.8-171.20114.4E91 K148 V150 L154E91-K152 IonicContact OE1-NZ 3.61Å; E91-K152 PolarHBondContact OE1-NZ 2.94Å; E91-K152 IonicContact OE2-NZ 3.34Å; E91-K152 PolarHBondContact OE2-NZ 3.01Å; K148-K152 WeakPolarHBondContact O-CB 3.22Å; K148-K152 VanDerWaalsContact O-CG 3.32Å; K148-K152 WeakPolarHBondContact O-CG 3.35Å; K148-K152 PolarHBondContact O-N 3.26Å; V150-K152 PolarHBondContact O-N 3.41Å; K152-L154 HydrophobicContact CB-CD1 4.18Å; K152-L154 HydrophobicContact CB-CG 4.01Å; K152-L154 HydrophobicContact CD-CD1 4.41Å; K152-L154 PolarHBondContact O-N 3.32Å
153G98.4Very high98.8Very high26 Ų2629.7 Ų29.727%0.26815%0.152SC..THydrogen-bonded Turntrans72.99.8-178.600000115.2L149 V150 E151 V155L149-G153 PolarHBondContact O-N 2.79Å; V150-G153 WeakPolarHBondContact O-CA 3.43Å; V150-G153 PolarHBondContact O-N 2.87Å; E151-G153 VanDerWaalsContact C-N 3.28Å; E151-G153 PolarHBondContact O-N 3.23Å; G153-V155 VanDerWaalsContact C-N 3.31Å
154L98.8Very high98.8Very high32 Ų3229.6 Ų29.617%0.16815%0.151CC..SBendtrans-75.3-23179.7-59.7175.1000112.3E91 L94 L95 L98 Y105 L106 L149 K152E91-L154 HydrophobicContact CG-CD1 4.43Å; L94-L154 HydrophobicContact CD2-CB 3.61Å; L94-L154 HydrophobicContact CD2-CD1 4.21Å; L95-L154 HydrophobicContact CD2-CD1 4.17Å; L95-L154 HydrophobicContact CD2-CD2 4.41Å; L98-L154 HydrophobicContact CD1-CB 4.33Å; L98-L154 HydrophobicContact CD1-CD2 4.22Å; Y105-L154 WeakPolarHBondContact CA-O 3.1Å; Y105-L154 WeakPolarHBondContact CB-O 2.93Å; L106-L154 PolarHBondContact N-O 3.28Å; L149-L154 PolarHBondContact O-N 3.17Å; K152-L154 HydrophobicContact CB-CD1 4.18Å; K152-L154 HydrophobicContact CB-CG 4.01Å; K152-L154 HydrophobicContact CD-CD1 4.41Å; K152-L154 PolarHBondContact O-N 3.32Å
155V98.8Very high98.8Very high1 Ų128.7 Ų28.71%0.00614%0.142CC..BIsolated β-bridgetrans-134.5141.4175.1-67.50000109.5L94 L106 Y109 L149 V150 G153 I158L94-V155 HydrophobicContact CD1-CG1 3.96Å; L94-V155 HydrophobicContact CD2-CG1 3.6Å; L94-V155 HydrophobicContact CG-CG1 4.46Å; L106-V155 HydrophobicContact CB-CG1 4.17Å; L106-V155 CarbonylContact O-C 3.48Å; L106-V155 WeakPolarHBondContact O-CA 3.36Å; Y109-V155 HydrophobicContact CG-CG1 4.24Å; L149-V155 HydrophobicContact CB-CG2 3.56Å; V150-V155 HydrophobicContact CB-CG2 4.3Å; V150-V155 HydrophobicContact CG2-CG2 3.64Å; G153-V155 VanDerWaalsContact C-N 3.31Å; V155-I158 HydrophobicContact CG2-CG2 3.88Å
156R98.5Very high98.8Very high111 Ų11133.3 Ų33.342%0.41916%0.157SC..SBendtrans-84.7-28.1176.8-57.7-59.2-179.7-163.5-2.6112.6Y105 L106Y105-R156 HydrophobicContact CD2-CG 3.68Å; Y105-R156 HydrophobicContact CE2-CG 3.86Å; L106-R156 PolarHBondContact O-N 3.18Å
157S98.8Very high98.8Very high2 Ų233.3 Ų33.31%0.01416%0.157CC..  trans-152151.9-179.8-66.70000109.9T9 D107 L108 Y109T9-S157 PolarHBondContact OG1-OG 3.48Å; D107-S157 WeakPolarHBondContact O-CB 3.24Å; D107-S157 PolarHBondContact O-N 2.93Å; L108-S157 WeakPolarHBondContact CA-O 3.26Å; Y109-S157 PolarHBondContact N-O 3.45Å
158I98.9Very high98.8Very high0 Ų032.8 Ų32.80%015%0.154CC..EExtended strand (participates in β ladder)trans-122.5155.717652.8173000110.1Y109 W143 M146 E147 V150 V155 I177 T180Y109-I158 VanDerWaalsContact O-CA 3.3Å; Y109-I158 WeakPolarHBondContact O-CA 3.33Å; W143-I158 HydrophobicContact CD2-CD1 4.44Å; W143-I158 HydrophobicContact CH2-CB 3.93Å; W143-I158 HydrophobicContact CH2-CD1 3.56Å; W143-I158 HydrophobicContact CH2-CG1 3.52Å; W143-I158 HydrophobicContact CZ2-CD1 3.37Å; W143-I158 HydrophobicContact CZ2-CG1 3.71Å; W143-I158 HydrophobicContact CZ3-CB 4.33Å; W143-I158 HydrophobicContact CZ3-CD1 4.18Å; W143-I158 HydrophobicContact CZ3-CG1 4.31Å; M146-I158 HydrophobicContact CB-CD1 4.18Å; M146-I158 HydrophobicContact CB-CG2 4.32Å; M146-I158 HydrophobicContact CE-CG2 4.14Å; E147-I158 HydrophobicContact CG-CD1 3.89Å; V150-I158 HydrophobicContact CG2-CB 4.48Å; V150-I158 HydrophobicContact CG2-CD1 4.15Å; V150-I158 HydrophobicContact CG2-CG1 4.07Å; V150-I158 HydrophobicContact CG2-CG2 3.69Å; V155-I158 HydrophobicContact CG2-CG2 3.88Å; I158-I177 HydrophobicContact CD1-CB 4.33Å; I158-I177 HydrophobicContact CD1-CG2 4.21Å; I158-I177 HydrophobicContact CG1-CG2 4.22Å; I158-T180 PolarHBondContact O-N 3.3Å; I158-T180 PolarHBondContact O-OG1 3.25Å
159G98.9Very high98.8Very high0 Ų031 Ų310%015%0.149CC..EExtended strand (participates in β ladder)trans-162.5-170.8-177.100000113.5Y109 L110 I111 V181Y109-G159 PolarHBondContact O-N 3.33Å; L110-G159 WeakPolarHBondContact CA-O 3.24Å; L110-G159 VanDerWaalsContact CD2-C 3.4Å; L110-G159 VanDerWaalsContact CD2-CA 3.47Å; I111-G159 PolarHBondContact N-O 3.4Å; I111-G159 VanDerWaalsContact N-O 3.1Å; G159-V181 WeakPolarHBondContact CA-O 3.4Å
160L98.9Very high98.8Very high0 Ų034.6 Ų34.60%016%0.163CC..EExtended strand (participates in β ladder)trans-124145.9-169.5-56.7175.5000110I111 W143 F163 I168 I171 P179 V181 L182 Q183I111-L160 HydrophobicContact CD1-CD2 4.5Å; W143-L160 HydrophobicContact CE3-CD2 3.75Å; W143-L160 HydrophobicContact CH2-CD2 4.44Å; W143-L160 HydrophobicContact CZ3-CD2 3.53Å; W143-L160 HydrophobicContact CZ3-CG 4.23Å; L160-F163 HydrophobicContact CB-CB 4.11Å; L160-F163 HydrophobicContact CB-CD1 4.38Å; L160-F163 HydrophobicContact CB-CD2 3.72Å; L160-F163 HydrophobicContact CB-CE2 4.23Å; L160-F163 HydrophobicContact CB-CG 3.82Å; L160-F163 HydrophobicContact CD1-CB 4.28Å; L160-F163 HydrophobicContact CD1-CD1 3.9Å; L160-F163 HydrophobicContact CD1-CE1 4.44Å; L160-F163 HydrophobicContact CD1-CG 4.07Å; L160-F163 HydrophobicContact CD2-CD1 4.03Å; L160-F163 HydrophobicContact CD2-CD2 4.23Å; L160-F163 HydrophobicContact CD2-CE1 3.79Å; L160-F163 HydrophobicContact CD2-CE2 4.01Å; L160-F163 HydrophobicContact CD2-CG 4.26Å; L160-F163 HydrophobicContact CD2-CZ 3.8Å; L160-F163 HydrophobicContact CG-CD1 4.32Å; L160-F163 HydrophobicContact CG-CD2 4.41Å; L160-F163 HydrophobicContact CG-CG 4.26Å; L160-I168 HydrophobicContact CD1-CG1 4.01Å; L160-I171 HydrophobicContact CD1-CB 4.46Å; L160-I171 HydrophobicContact CD1-CG1 4.43Å; L160-I171 HydrophobicContact CD1-CG2 4.47Å; L160-I171 HydrophobicContact CD2-CG1 4.35Å; L160-P179 HydrophobicContact CD1-CB 4.11Å; L160-P179 HydrophobicContact CD1-CG 4.24Å; L160-P179 HydrophobicContact CG-CB 4.07Å; L160-V181 PolarHBondContact N-O 3.19Å; L160-L182 HydrophobicContact CB-CD1 4.09Å; L160-L182 CarbonylContact O-C 3.33Å; L160-L182 VanDerWaalsContact O-CA 3.32Å; L160-L182 WeakPolarHBondContact O-CA 3.43Å; L160-Q183 PolarHBondContact O-N 3.26Å
161S98.9Very high98.8Very high1 Ų133 Ų331%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-130.2133172.6174.90000109.8I111 H112 F163 Q183I111-S161 VanDerWaalsContact O-CB 3.29Å; I111-S161 WeakPolarHBondContact O-CB 3.43Å; I111-S161 PolarHBondContact O-N 3.43Å; H112-S161 CarbonylContact C-O 3.46Å; H112-S161 CarbonylContact O-C 3.59Å; H112-S161 VanDerWaalsContact O-CB 3.26Å; H112-S161 WeakPolarHBondContact O-CB 3.41Å; H112-S161 PolarHBondContact O-OG 3.5Å; H112-S161 VanDerWaalsContact O-OG 3.11Å; S161-F163 VanDerWaalsContact C-N 3.29Å; S161-F163 WeakPolarHBondContact O-CD2 3.05Å; S161-F163 PolarHBondContact O-N 2.88Å; S161-Q183 CarbonylContact C-O 3.6Å; S161-Q183 VanDerWaalsContact CA-O 3.24Å; S161-Q183 WeakPolarHBondContact CA-O 3.4Å; S161-Q183 PolarHBondContact OG-O 3.41Å
162N98.8Very high98.8Very high2 Ų229.3 Ų29.31%0.01114%0.137CC..SBendtrans59.531.6-175.6-53-67.7000114.6H112 W113 P114 Q183 Y209 P319 F320H112-N162 PolarHBondContact O-ND2 3.48Å; W113-N162 HydrophobicContact CD2-CB 3.92Å; W113-N162 VanDerWaalsContact CE2-ND2 3.31Å; W113-N162 HydrophobicContact CE3-CB 3.39Å; W113-N162 HydrophobicContact CH2-CB 4.12Å; W113-N162 WeakPolarHBondContact CZ2-ND2 3.19Å; W113-N162 HydrophobicContact CZ3-CB 3.53Å; P114-N162 WeakPolarHBondContact CD-O 3.41Å; N162-Q183 PolarHBondContact N-O 2.94Å; N162-Y209 WeakPolarHBondContact OD1-CE1 3.33Å; N162-Y209 PolarHBondContact OD1-OH 3.24Å; N162-P319 HydrophobicContact CB-CG 4.37Å; N162-P319 WeakPolarHBondContact O-CB 3.29Å; N162-P319 WeakPolarHBondContact O-CG 3.45Å; N162-F320 HydrophobicContact CB-CE1 4.41Å; N162-F320 HydrophobicContact CB-CZ 4.2Å
163F98.9Very high98.8Very high0 Ų028 Ų280%014%0.143CC..  trans-92.4142.7172.3-78.6-123.2000110I111 P114 Y139 L160 S161 Q167 I168 I171 L182I111-F163 HydrophobicContact CB-CE2 4.13Å; I111-F163 HydrophobicContact CB-CZ 4.26Å; I111-F163 HydrophobicContact CG2-CE2 3.96Å; I111-F163 HydrophobicContact CG2-CZ 3.98Å; P114-F163 HydrophobicContact CB-CD1 4.09Å; P114-F163 HydrophobicContact CB-CD2 4.01Å; P114-F163 HydrophobicContact CB-CE1 3.81Å; P114-F163 HydrophobicContact CB-CE2 3.74Å; P114-F163 HydrophobicContact CB-CG 4.17Å; P114-F163 HydrophobicContact CB-CZ 3.62Å; P114-F163 HydrophobicContact CG-CD2 4.37Å; P114-F163 HydrophobicContact CG-CE2 4.42Å; Y139-F163 HydrophobicContact CD2-CD1 4.5Å; Y139-F163 AromaticContact CD2-CE1 3.54Å; Y139-F163 HydrophobicContact CD2-CE1 3.54Å; Y139-F163 HydrophobicContact CD2-CZ 4.26Å; Y139-F163 HydrophobicContact CE2-CE1 4.02Å; Y139-F163 AromaticContact CG-CE1 3.93Å; Y139-F163 HydrophobicContact CG-CE1 3.93Å; Y139-F163 HydrophobicContact CG-CZ 4.25Å; L160-F163 HydrophobicContact CB-CB 4.11Å; L160-F163 HydrophobicContact CB-CD1 4.38Å; L160-F163 HydrophobicContact CB-CD2 3.72Å; L160-F163 HydrophobicContact CB-CE2 4.23Å; L160-F163 HydrophobicContact CB-CG 3.82Å; L160-F163 HydrophobicContact CD1-CB 4.28Å; L160-F163 HydrophobicContact CD1-CD1 3.9Å; L160-F163 HydrophobicContact CD1-CE1 4.44Å; L160-F163 HydrophobicContact CD1-CG 4.07Å; L160-F163 HydrophobicContact CD2-CD1 4.03Å; L160-F163 HydrophobicContact CD2-CD2 4.23Å; L160-F163 HydrophobicContact CD2-CE1 3.79Å; L160-F163 HydrophobicContact CD2-CE2 4.01Å; L160-F163 HydrophobicContact CD2-CG 4.26Å; L160-F163 HydrophobicContact CD2-CZ 3.8Å; L160-F163 HydrophobicContact CG-CD1 4.32Å; L160-F163 HydrophobicContact CG-CD2 4.41Å; L160-F163 HydrophobicContact CG-CG 4.26Å; S161-F163 VanDerWaalsContact C-N 3.29Å; S161-F163 WeakPolarHBondContact O-CD2 3.05Å; S161-F163 PolarHBondContact O-N 2.88Å; F163-Q167 HydrophobicContact CB-CB 4.31Å; F163-Q167 HydrophobicContact CD1-CB 3.67Å; F163-Q167 HydrophobicContact CE1-CB 4.47Å; F163-Q167 HydrophobicContact CG-CB 4.36Å; F163-I168 HydrophobicContact CB-CG1 3.98Å; F163-I171 HydrophobicContact CE1-CG1 4.21Å; F163-L182 HydrophobicContact CB-CD1 4.02Å
164N98.8Very high98.8Very high0 Ų030.1 Ų30.10%015%0.15CC..  trans-89.7172.7170.773.228.1000112.1R166 Q167 I168 P319 D322 Y324N164-R166 PolarHBondContact O-N 3.42Å; N164-R166 PolarHBondContact OD1-N 2.64Å; N164-Q167 PolarHBondContact O-N 2.75Å; N164-Q167 VanDerWaalsContact OD1-CG 3.28Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.24Å; N164-Q167 PolarHBondContact OD1-N 2.83Å; N164-I168 WeakPolarHBondContact O-CD1 3.41Å; N164-I168 VanDerWaalsContact O-CG1 3.25Å; N164-I168 WeakPolarHBondContact O-CG1 3.26Å; N164-I168 PolarHBondContact O-N 2.75Å; N164-P319 HydrophobicContact CB-CB 4.49Å; N164-P319 WeakPolarHBondContact CB-O 3.42Å; N164-P319 PolarHBondContact ND2-O 3.01Å; N164-P319 VanDerWaalsContact ND2-O 3.1Å; N164-D322 PolarHBondContact ND2-OD2 3.08Å; N164-Y324 HydrophobicContact CB-CD1 4.14Å; N164-Y324 HydrophobicContact CB-CE1 3.9Å
165S98.7Very high98.7Very high28 Ų2829.9 Ų29.920%0.19615%0.153CC..Hα-helixtrans-54.4-46.5-177.451.30000113.2Q167 I168 D169 H198S165-Q167 PolarHBondContact O-N 3.11Å; S165-I168 WeakPolarHBondContact O-CB 3.38Å; S165-I168 PolarHBondContact O-N 3.45Å; S165-D169 PolarHBondContact O-N 3.46Å; S165-H198 PolarHBondContact O-NE2 3.28Å
166R98.7Very high98.7Very high113 Ų11334.9 Ų34.943%0.42619%0.188SC..Hα-helixtrans-62.4-42.3178.1-178.9-174.858.775.9-0.9112.3N164 D169 Y170 D322N164-R166 PolarHBondContact O-N 3.42Å; N164-R166 PolarHBondContact OD1-N 2.64Å; R166-D169 PolarHBondContact O-N 3.16Å; R166-Y170 PolarHBondContact O-N 3.01Å; R166-D322 IonicContact CZ-OD2 3.88Å; R166-D322 IonicContact NE-OD2 3.75Å; R166-D322 PolarHBondContact NE-OD2 2.94Å; R166-D322 IonicContact NH2-OD2 2.9Å; R166-D322 PolarHBondContact NH2-OD2 3.16Å
167Q98.9Very high98.7Very high0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-69.1-36178.7-66168.3-34.700111.7Y139 F163 N164 S165 Y170 I171 H317Y139-Q167 HydrophobicContact CE2-CB 4.25Å; F163-Q167 HydrophobicContact CB-CB 4.31Å; F163-Q167 HydrophobicContact CD1-CB 3.67Å; F163-Q167 HydrophobicContact CE1-CB 4.47Å; F163-Q167 HydrophobicContact CG-CB 4.36Å; N164-Q167 PolarHBondContact O-N 2.75Å; N164-Q167 VanDerWaalsContact OD1-CG 3.28Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.24Å; N164-Q167 PolarHBondContact OD1-N 2.83Å; S165-Q167 PolarHBondContact O-N 3.11Å; Q167-Y170 PolarHBondContact O-N 3.07Å; Q167-I171 PolarHBondContact O-N 3.04Å; Q167-I171 VanDerWaalsContact O-N 3.09Å; Q167-H317 PolarHBondContact NE2-O 3.44Å
168I98.9Very high98.7Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-61.8-48.9172.5-67.5161.3000110L160 F163 N164 S165 Y170 I171 L172 L182 L195 L204L160-I168 HydrophobicContact CD1-CG1 4.01Å; F163-I168 HydrophobicContact CB-CG1 3.98Å; N164-I168 WeakPolarHBondContact O-CD1 3.41Å; N164-I168 VanDerWaalsContact O-CG1 3.25Å; N164-I168 WeakPolarHBondContact O-CG1 3.26Å; N164-I168 PolarHBondContact O-N 2.75Å; S165-I168 WeakPolarHBondContact O-CB 3.38Å; S165-I168 PolarHBondContact O-N 3.45Å; I168-Y170 VanDerWaalsContact C-N 3.27Å; I168-Y170 PolarHBondContact O-N 3.28Å; I168-I171 PolarHBondContact O-N 2.88Å; I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.35Å; I168-L172 WeakPolarHBondContact O-CG 3.36Å; I168-L172 PolarHBondContact O-N 2.92Å; I168-L182 HydrophobicContact CD1-CD1 4.18Å; I168-L182 HydrophobicContact CD1-CD2 3.73Å; I168-L182 HydrophobicContact CD1-CG 4.44Å; I168-L195 HydrophobicContact CD1-CD1 3.96Å; I168-L204 HydrophobicContact CG2-CD2 4.09Å
169D98.8Very high98.7Very high62 Ų6236 Ų3633%0.33220%0.197SC..Hα-helixtrans-58.4-39.9177.2-82.8-21.7000112.5S165 R166 L172 S173 H198 R202S165-D169 PolarHBondContact O-N 3.46Å; R166-D169 PolarHBondContact O-N 3.16Å; D169-L172 PolarHBondContact O-N 2.91Å; D169-S173 PolarHBondContact O-N 2.88Å; D169-H198 IonicContact OD1-CE1 2.96Å; D169-H198 IonicContact OD1-NE2 2.65Å; D169-H198 IonicContact OD2-CE1 3.57Å; D169-H198 PolarHBondContact OD2-CE1 3.32Å; D169-R202 VanDerWaalsContact CG-NH2 3.32Å; D169-R202 IonicContact OD1-CZ 3.8Å; D169-R202 IonicContact OD1-NE 2.88Å; D169-R202 PolarHBondContact OD1-NE 2.65Å; D169-R202 IonicContact OD1-NH2 2.7Å; D169-R202 PolarHBondContact OD1-NH2 2.83Å; D169-R202 IonicContact OD2-CZ 2.63Å; D169-R202 IonicContact OD2-NH2 2.78Å; D169-R202 PolarHBondContact OD2-NH2 3.49Å
170Y98.6Very high98.7Very high78 Ų7836 Ų3631%0.30620%0.198SC..Hα-helixtrans-65.1-44.9177.3-174.9-134.6000112.3D138 Y139 K140 R166 Q167 I168 L172 S173D138-Y170 PolarHBondContact OD2-OH 3.05Å; Y139-Y170 AromaticContact CE2-CD1 3.55Å; Y139-Y170 HydrophobicContact CE2-CD1 3.55Å; Y139-Y170 HydrophobicContact CE2-CE1 4.26Å; Y139-Y170 AromaticContact CZ-CD1 3.67Å; Y139-Y170 WeakPolarHBondContact OH-CD1 3.27Å; K140-Y170 HydrophobicContact CB-CE1 4.25Å; K140-Y170 HydrophobicContact CD-CE1 3.97Å; K140-Y170 WeakPolarHBondContact CD-OH 3.27Å; K140-Y170 PolarHBondContact NZ-OH 3.04Å; R166-Y170 PolarHBondContact O-N 3.01Å; Q167-Y170 PolarHBondContact O-N 3.07Å; I168-Y170 VanDerWaalsContact C-N 3.27Å; I168-Y170 PolarHBondContact O-N 3.28Å; Y170-L172 VanDerWaalsContact C-N 3.34Å; Y170-L172 PolarHBondContact O-N 2.9Å; Y170-S173 PolarHBondContact O-N 2.81Å; Y170-S173 PolarHBondContact O-OG 3.03Å
171I98.8Very high98.7Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-59.3-46.3172.8-72.5-57.3000110.9Y139 K140 W143 L160 F163 Q167 I168 S173 V174 A175 P179Y139-I171 HydrophobicContact CD2-CD1 3.67Å; Y139-I171 HydrophobicContact CD2-CG1 3.95Å; Y139-I171 HydrophobicContact CE2-CD1 4.18Å; Y139-I171 HydrophobicContact CE2-CG1 4.15Å; K140-I171 HydrophobicContact CB-CD1 4.48Å; W143-I171 HydrophobicContact CB-CD1 3.64Å; W143-I171 HydrophobicContact CD2-CD1 4.34Å; W143-I171 HydrophobicContact CD2-CG2 3.7Å; W143-I171 HydrophobicContact CE3-CG2 4.2Å; W143-I171 HydrophobicContact CG-CD1 3.87Å; W143-I171 HydrophobicContact CG-CG2 3.98Å; W143-I171 HydrophobicContact CZ2-CG2 4.19Å; L160-I171 HydrophobicContact CD1-CB 4.46Å; L160-I171 HydrophobicContact CD1-CG1 4.43Å; L160-I171 HydrophobicContact CD1-CG2 4.47Å; L160-I171 HydrophobicContact CD2-CG1 4.35Å; F163-I171 HydrophobicContact CE1-CG1 4.21Å; Q167-I171 PolarHBondContact O-N 3.04Å; Q167-I171 VanDerWaalsContact O-N 3.09Å; I168-I171 PolarHBondContact O-N 2.88Å; I171-S173 PolarHBondContact O-N 3.1Å; I171-V174 WeakPolarHBondContact O-CG2 3.32Å; I171-V174 PolarHBondContact O-N 3.21Å; I171-V174 VanDerWaalsContact O-N 3.09Å; I171-A175 HydrophobicContact CG2-CB 4.37Å; I171-A175 WeakPolarHBondContact O-CB 3.38Å; I171-A175 PolarHBondContact O-N 2.84Å; I171-P179 HydrophobicContact CG2-CG 4.01Å
172L98.8Very high98.7Very high44 Ų4436 Ų3623%0.2320%0.197CC..Hα-helixtrans-59.4-31.6178.9-72.3171.7000113.1I168 D169 Y170 V174 K178 P179 R202I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.35Å; I168-L172 WeakPolarHBondContact O-CG 3.36Å; I168-L172 PolarHBondContact O-N 2.92Å; D169-L172 PolarHBondContact O-N 2.91Å; Y170-L172 VanDerWaalsContact C-N 3.34Å; Y170-L172 PolarHBondContact O-N 2.9Å; L172-V174 VanDerWaalsContact C-N 3.25Å; L172-V174 PolarHBondContact O-N 2.99Å; L172-K178 HydrophobicContact CD2-CD 4.1Å; L172-K178 HydrophobicContact CD2-CG 3.57Å; L172-P179 HydrophobicContact CD2-CG 3.95Å; L172-P179 HydrophobicContact CG-CG 4.46Å; L172-R202 HydrophobicContact CD1-CB 4.01Å; L172-R202 VanDerWaalsContact CD1-CD 3.46Å; L172-R202 HydrophobicContact CD1-CG 3.72Å
173S98.6Very high98.7Very high88 Ų8836 Ų3662%0.61520%0.197SC*.Hα-helixtrans-70-19.8178.976.90000114.1D169 Y170 I171D169-S173 PolarHBondContact O-N 2.88Å; Y170-S173 PolarHBondContact O-N 2.81Å; Y170-S173 PolarHBondContact O-OG 3.03Å; I171-S173 PolarHBondContact O-N 3.1Å
174V98.4Very high98.7Very high71 Ų7136 Ų3643%0.4320%0.197SC..Hα-helixtrans-120.1-12-176.6-58.80000113.9K140 I171 L172 S176K140-V174 HydrophobicContact CB-CG2 4.25Å; I171-V174 WeakPolarHBondContact O-CG2 3.32Å; I171-V174 PolarHBondContact O-N 3.21Å; I171-V174 VanDerWaalsContact O-N 3.09Å; L172-V174 VanDerWaalsContact C-N 3.25Å; L172-V174 PolarHBondContact O-N 2.99Å; V174-S176 PolarHBondContact O-N 2.88Å
175A98.4Very high98.7Very high27 Ų2736 Ų3622%0.22320%0.197CC..  trans-70.3127-173.700000112.4E147 I171E147-A175 WeakPolarHBondContact OE1-CA 3.26Å; I171-A175 HydrophobicContact CG2-CB 4.37Å; I171-A175 WeakPolarHBondContact O-CB 3.38Å; I171-A175 PolarHBondContact O-N 2.84Å
176S98.5Very high98.7Very high106 Ų10634.7 Ų34.774%0.74119%0.188SC*.SBendtrans-81.1-35163.6-59.60000111.1E147 V174E147-S176 PolarHBondContact OE1-N 2.76Å; V174-S176 PolarHBondContact O-N 2.88Å
177I98.5Very high98.7Very high46 Ų4629.3 Ų29.324%0.23617%0.168CC..SBendtrans-113.2114.1172-56.7178.9000107.3W143 E147 V150 I158W143-I177 WeakPolarHBondContact CZ2-O 3.31Å; W143-I177 PolarHBondContact NE1-O 2.81Å; E147-I177 HydrophobicContact CB-CD1 4.1Å; E147-I177 HydrophobicContact CB-CG1 4.38Å; E147-I177 HydrophobicContact CG-CB 4.07Å; E147-I177 HydrophobicContact CG-CG1 4.36Å; E147-I177 PolarHBondContact OE1-N 2.73Å; V150-I177 HydrophobicContact CB-CD1 3.61Å; V150-I177 HydrophobicContact CG1-CD1 3.82Å; V150-I177 HydrophobicContact CG2-CD1 4.04Å; I158-I177 HydrophobicContact CD1-CB 4.33Å; I158-I177 HydrophobicContact CD1-CG2 4.21Å; I158-I177 HydrophobicContact CG1-CG2 4.22Å
178K98.3Very high98.7Very high90 Ų9029.3 Ų29.339%0.39117%0.168SC..  trans-64.9137.8-176.3-170173.9-179.6171.20112L172 T180 R202L172-K178 HydrophobicContact CD2-CD 4.1Å; L172-K178 HydrophobicContact CD2-CG 3.57Å; K178-T180 PolarHBondContact O-N 3.36Å; K178-R202 WeakPolarHBondContact CE-O 3.49Å; K178-R202 PolarHBondContact NZ-O 3.09Å
179P98.8Very high98.6Very high0 Ų029.4 Ų29.40%017%0.168CC..  trans-56.9136.7169.623.1-33.2000110.9N8 W143 L160 I171 L172 L204N8-P179 PolarHBondContact ND2-O 2.84Å; W143-P179 HydrophobicContact CH2-CB 3.51Å; W143-P179 HydrophobicContact CH2-CG 4.34Å; W143-P179 HydrophobicContact CZ2-CB 3.88Å; W143-P179 HydrophobicContact CZ2-CG 4.27Å; W143-P179 HydrophobicContact CZ3-CB 4.32Å; L160-P179 HydrophobicContact CD1-CB 4.11Å; L160-P179 HydrophobicContact CD1-CG 4.24Å; L160-P179 HydrophobicContact CG-CB 4.07Å; I171-P179 HydrophobicContact CG2-CG 4.01Å; L172-P179 HydrophobicContact CD2-CG 3.95Å; L172-P179 HydrophobicContact CG-CG 4.46Å; P179-L204 HydrophobicContact CB-CD2 4.21Å; P179-L204 HydrophobicContact CG-CD1 4.42Å; P179-L204 HydrophobicContact CG-CD2 4.17Å; P179-L204 WeakPolarHBondContact O-CD1 3.37Å; P179-L204 WeakPolarHBondContact O-CG 3.17Å
180T98.6Very high98.6Very high1 Ų127 Ų271%0.00616%0.155CC..  trans-97.4-32.8-174.863.90000112.5N8 T9 I158 K178 V205N8-T180 WeakPolarHBondContact OD1-CG2 3.29Å; T9-T180 HydrophobicContact CG2-CG2 3.99Å; I158-T180 PolarHBondContact O-N 3.3Å; I158-T180 PolarHBondContact O-OG1 3.25Å; K178-T180 PolarHBondContact O-N 3.36Å; T180-V205 PolarHBondContact O-N 2.78Å
181V98.9Very high98.6Very high0 Ų023.3 Ų23.30%014%0.141CC..EExtended strand (participates in β ladder)trans-135.8140.4-173.2175.30000110.4L7 M13 L108 L110 G159 L160 V205 T207L7-V181 HydrophobicContact CD2-CG2 3.71Å; M13-V181 HydrophobicContact CE-CG2 4.48Å; M13-V181 HydrophobicContact SD-CG2 3.89Å; L108-V181 HydrophobicContact CD1-CB 4.26Å; L108-V181 HydrophobicContact CD1-CG2 4.24Å; L108-V181 HydrophobicContact CD2-CB 3.87Å; L108-V181 HydrophobicContact CD2-CG1 4.03Å; L108-V181 HydrophobicContact CD2-CG2 3.75Å; L110-V181 HydrophobicContact CD2-CB 4.47Å; G159-V181 WeakPolarHBondContact CA-O 3.4Å; L160-V181 PolarHBondContact N-O 3.19Å; V181-V205 CarbonylContact C-O 3.3Å; V181-V205 WeakPolarHBondContact CA-O 3.22Å; V181-V205 HydrophobicContact CG2-CB 4.33Å; V181-T207 WeakPolarHBondContact CG1-OG1 3.46Å
182L98.9Very high98.6Very high0 Ų023.6 Ų23.60%014%0.142CC..EExtended strand (participates in β ladder)trans-108.3123.9159.6176.168.9000109.2L160 F163 I168 V184 L195 C199 L204 V205 V206 T207L160-L182 HydrophobicContact CB-CD1 4.09Å; L160-L182 CarbonylContact O-C 3.33Å; L160-L182 VanDerWaalsContact O-CA 3.32Å; L160-L182 WeakPolarHBondContact O-CA 3.43Å; F163-L182 HydrophobicContact CB-CD1 4.02Å; I168-L182 HydrophobicContact CD1-CD1 4.18Å; I168-L182 HydrophobicContact CD1-CD2 3.73Å; I168-L182 HydrophobicContact CD1-CG 4.44Å; L182-V184 HydrophobicContact CD1-CG1 3.9Å; L182-V184 HydrophobicContact CD2-CG1 3.88Å; L182-V184 HydrophobicContact CD2-CG2 4.28Å; L182-V184 HydrophobicContact CG-CG1 3.79Å; L182-V184 HydrophobicContact CG-CG2 4.45Å; L182-L195 HydrophobicContact CD2-CD1 4.1Å; L182-L195 HydrophobicContact CD2-CD2 3.81Å; L182-L195 HydrophobicContact CD2-CG 3.83Å; L182-C199 WeakPolarHBondContact CD2-SG 3.5Å; L182-L204 HydrophobicContact CB-CD2 4.46Å; L182-V205 PolarHBondContact N-O 3.47Å; L182-V206 CarbonylContact O-C 3.4Å; L182-V206 WeakPolarHBondContact O-CA 3.29Å; L182-T207 PolarHBondContact O-N 3.3Å
183Q98.9Very high98.6Very high1 Ų124.6 Ų24.61%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-103.4119.2171.7-162.5-178.8107.300110.7D44 L110 L160 S161 N162 T207 Y209 I260D44-Q183 PolarHBondContact OD2-NE2 3.1Å; L110-Q183 HydrophobicContact CD1-CB 3.74Å; L110-Q183 HydrophobicContact CD1-CG 4.46Å; L160-Q183 PolarHBondContact O-N 3.26Å; S161-Q183 CarbonylContact C-O 3.6Å; S161-Q183 VanDerWaalsContact CA-O 3.24Å; S161-Q183 WeakPolarHBondContact CA-O 3.4Å; S161-Q183 PolarHBondContact OG-O 3.41Å; N162-Q183 PolarHBondContact N-O 2.94Å; Q183-T207 VanDerWaalsContact CA-O 3.3Å; Q183-T207 WeakPolarHBondContact CA-O 3.47Å; Q183-T207 HydrophobicContact CG-CG2 3.86Å; Q183-Y209 HydrophobicContact CG-CD1 4.15Å; Q183-I260 HydrophobicContact CG-CD1 4.39Å
184V98.9Very high98.5Very high1 Ų125.4 Ų25.41%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-143.3161.6-177.2-73.90000111.4L182 S186 Q192 L195 V206 T207 A208 Y209L182-V184 HydrophobicContact CD1-CG1 3.9Å; L182-V184 HydrophobicContact CD2-CG1 3.88Å; L182-V184 HydrophobicContact CD2-CG2 4.28Å; L182-V184 HydrophobicContact CG-CG1 3.79Å; L182-V184 HydrophobicContact CG-CG2 4.45Å; V184-S186 PolarHBondContact O-N 2.93Å; V184-Q192 HydrophobicContact CG2-CG 4.25Å; V184-L195 HydrophobicContact CG1-CD2 4.18Å; V184-L195 HydrophobicContact CG2-CD2 4.36Å; V184-V206 HydrophobicContact CG2-CG1 4.07Å; V184-T207 PolarHBondContact N-O 3.38Å; V184-A208 WeakPolarHBondContact O-CA 3.38Å; V184-Y209 VanDerWaalsContact CA-CE1 3.42Å; V184-Y209 PolarHBondContact O-N 2.86Å
185E98.7Very high98.6Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-60.5124.2168.7-169.8171.4171.600108.7H187 L190 Q192 Y209 R296 Y297 I298E185-H187 IonicContact OE1-CD2 2.64Å; E185-H187 IonicContact OE1-CE1 3.19Å; E185-H187 IonicContact OE1-NE2 2.77Å; E185-H187 PolarHBondContact OE1-NE2 2.97Å; E185-L190 HydrophobicContact CB-CD2 3.91Å; E185-L190 HydrophobicContact CG-CD2 3.9Å; E185-Q192 WeakPolarHBondContact O-CG 3.3Å; E185-Q192 PolarHBondContact O-NE2 2.7Å; E185-Y209 VanDerWaalsContact CA-CE2 3.44Å; E185-Y209 HydrophobicContact CB-CD2 4.1Å; E185-Y209 HydrophobicContact CB-CE1 4.46Å; E185-Y209 HydrophobicContact CB-CE2 3.36Å; E185-Y209 HydrophobicContact CG-CD2 4.48Å; E185-Y209 HydrophobicContact CG-CE2 3.95Å; E185-R296 WeakPolarHBondContact OE2-CG 3.18Å; E185-Y297 WeakPolarHBondContact OE1-CA 3.39Å; E185-Y297 VanDerWaalsContact OE1-CB 3.24Å; E185-Y297 WeakPolarHBondContact OE1-CB 3.45Å; E185-Y297 PolarHBondContact OE1-N 3.33Å; E185-Y297 PolarHBondContact OE2-N 2.97Å; E185-I298 HydrophobicContact CG-CG1 4.48Å; E185-I298 PolarHBondContact OE1-N 3.09Å; E185-I298 WeakPolarHBondContact OE2-CA 3.09Å; E185-I298 VanDerWaalsContact OE2-CB 3.26Å; E185-I298 WeakPolarHBondContact OE2-CB 3.22Å; E185-I298 PolarHBondContact OE2-N 2.98Å
186S98.6Very high98.6Very high0 Ų021.1 Ų21.10%012%0.118CC..  trans-152.1128.4175.7-179.30000110.7V184 L190 Y209 P211 Q252V184-S186 PolarHBondContact O-N 2.93Å; S186-L190 WeakPolarHBondContact CA-O 3.43Å; S186-Y209 PolarHBondContact N-O 3.49Å; S186-P211 WeakPolarHBondContact O-CA 3.15Å; S186-Q252 PolarHBondContact O-NE2 3.45Å; S186-Q252 PolarHBondContact OG-NE2 3.11Å
187H98.7Very high98.6Very high0 Ų018.1 Ų18.10%010%0.1CC..BIsolated β-bridgetrans-166.3173.4177.95164.3000108.2E185 Y189 L190 A191 S210 P211 L227 W295 Y297E185-H187 IonicContact OE1-CD2 2.64Å; E185-H187 IonicContact OE1-CE1 3.19Å; E185-H187 IonicContact OE1-NE2 2.77Å; E185-H187 PolarHBondContact OE1-NE2 2.97Å; H187-Y189 VanDerWaalsContact C-N 3.29Å; H187-Y189 PolarHBondContact ND1-N 2.93Å; H187-Y189 PolarHBondContact O-N 2.81Å; H187-Y189 VanDerWaalsContact O-N 3.09Å; H187-L190 PolarHBondContact N-O 2.88Å; H187-L190 PolarHBondContact ND1-N 2.66Å; H187-L190 CarbonylContact O-C 3.56Å; H187-L190 WeakPolarHBondContact O-CA 3.33Å; H187-L190 PolarHBondContact O-N 3.48Å; H187-A191 WeakPolarHBondContact O-CA 3.41Å; H187-A191 PolarHBondContact O-N 2.83Å; H187-S210 PolarHBondContact CD2-O 2.91Å; H187-P211 WeakPolarHBondContact CB-O 3.32Å; H187-L227 HydrophobicContact CB-CD2 3.69Å; H187-W295 PolarHBondContact CE1-O 2.79Å; H187-Y297 AromaticContact CE1-CD2 3.6Å; H187-Y297 AromaticContact CE1-CE2 3.57Å; H187-Y297 AromaticContact NE2-CD2 3.26Å; H187-Y297 VanDerWaalsContact NE2-CD2 3.26Å; H187-Y297 WeakPolarHBondContact NE2-CD2 3.49Å; H187-Y297 AromaticContact NE2-CE2 3.67Å
188P98.6Very high98.6Very high0 Ų017.3 Ų17.30%010%0.095CC..THydrogen-bonded Turntrans-53.2-36.7-173.4-32.137.5000115.8L190 L227 I248 W251 I288 L291 N292P188-L190 VanDerWaalsContact C-N 3.34Å; P188-L190 PolarHBondContact O-N 2.9Å; P188-L227 HydrophobicContact CB-CD1 3.83Å; P188-L227 HydrophobicContact CG-CD1 3.91Å; P188-I248 HydrophobicContact CG-CG1 4.3Å; P188-I248 HydrophobicContact CG-CG2 4.18Å; P188-W251 HydrophobicContact CG-CE3 4.05Å; P188-W251 HydrophobicContact CG-CZ3 4.06Å; P188-I288 HydrophobicContact CB-CG2 3.78Å; P188-I288 HydrophobicContact CG-CG2 3.48Å; P188-I288 VanDerWaalsContact CG-CG2 3.48Å; P188-L291 HydrophobicContact CB-CB 4.03Å; P188-L291 HydrophobicContact CB-CD1 3.8Å; P188-L291 CarbonylContact O-C 3.56Å; P188-N292 WeakPolarHBondContact O-CA 3.04Å; P188-N292 PolarHBondContact O-N 2.97Å; P188-N292 VanDerWaalsContact O-N 3.07Å
189Y98.3Very high98.6Very high3 Ų313 Ų131%0.0128%0.076CC..THydrogen-bonded Turntrans-75.5-15.7175.9-56.5-30000116.2H187 P225 L227 E230 L291 N292 R293 G294 W295 Y297H187-Y189 VanDerWaalsContact C-N 3.29Å; H187-Y189 PolarHBondContact ND1-N 2.93Å; H187-Y189 PolarHBondContact O-N 2.81Å; H187-Y189 VanDerWaalsContact O-N 3.09Å; Y189-P225 HydrophobicContact CD2-CG 4.31Å; Y189-P225 HydrophobicContact CE2-CB 3.8Å; Y189-P225 HydrophobicContact CE2-CG 3.88Å; Y189-L227 HydrophobicContact CD1-CD1 4.23Å; Y189-L227 HydrophobicContact CD2-CB 4.3Å; Y189-L227 HydrophobicContact CD2-CD1 4.21Å; Y189-L227 HydrophobicContact CE1-CD1 4.09Å; Y189-L227 HydrophobicContact CE2-CB 3.86Å; Y189-L227 HydrophobicContact CE2-CD1 4.06Å; Y189-L227 HydrophobicContact CG-CD1 4.27Å; Y189-E230 HydrophobicContact CE1-CG 4.31Å; Y189-E230 VanDerWaalsContact CE1-OE2 3.31Å; Y189-E230 WeakPolarHBondContact CE1-OE2 3.31Å; Y189-E230 VanDerWaalsContact CZ-OE2 3.28Å; Y189-E230 PolarHBondContact OH-OE2 2.88Å; Y189-L291 HydrophobicContact CD1-CB 4.12Å; Y189-L291 HydrophobicContact CE1-CB 4.36Å; Y189-N292 PolarHBondContact O-OD1 2.94Å; Y189-R293 PolarHBondContact O-N 3.22Å; Y189-R293 PolarHBondContact OH-NH2 3.15Å; Y189-G294 PolarHBondContact O-N 2.91Å; Y189-G294 VanDerWaalsContact O-N 3.16Å; Y189-W295 PolarHBondContact O-N 3.12Å; Y189-Y297 HydrophobicContact CD2-CE2 4.28Å; Y189-Y297 WeakPolarHBondContact CD2-OH 3.47Å; Y189-Y297 VanDerWaalsContact CE2-OH 3.29Å; Y189-Y297 WeakPolarHBondContact CE2-OH 3.29Å
190L98.4Very high98.6Very high12 Ų1219.5 Ų19.56%0.06310%0.101CC..BIsolated β-bridgetrans-136.374.1175.9-174.770.8000107.4E185 S186 H187 P188 Q192 W295 R296E185-L190 HydrophobicContact CB-CD2 3.91Å; E185-L190 HydrophobicContact CG-CD2 3.9Å; S186-L190 WeakPolarHBondContact CA-O 3.43Å; H187-L190 PolarHBondContact N-O 2.88Å; H187-L190 PolarHBondContact ND1-N 2.66Å; H187-L190 CarbonylContact O-C 3.56Å; H187-L190 WeakPolarHBondContact O-CA 3.33Å; H187-L190 PolarHBondContact O-N 3.48Å; P188-L190 VanDerWaalsContact C-N 3.34Å; P188-L190 PolarHBondContact O-N 2.9Å; L190-Q192 HydrophobicContact CG-CG 4.5Å; L190-Q192 PolarHBondContact O-N 3.49Å; L190-W295 WeakPolarHBondContact CB-O 3.33Å; L190-R296 HydrophobicContact CD2-CB 4.15Å; L190-R296 HydrophobicContact CD2-CG 4.16Å
191A98.3Very high98.5Very high0 Ų025.9 Ų25.90%014%0.135CC..  trans-74-8.8-16700000113.3H187 V193 W251 R255 N292H187-A191 WeakPolarHBondContact O-CA 3.41Å; H187-A191 PolarHBondContact O-N 2.83Å; A191-V193 VanDerWaalsContact C-N 3.28Å; A191-V193 HydrophobicContact CB-CG2 3.91Å; A191-V193 PolarHBondContact O-N 2.68Å; A191-W251 HydrophobicContact CB-CH2 3.95Å; A191-W251 HydrophobicContact CB-CZ2 4.04Å; A191-R255 PolarHBondContact O-NH1 3.4Å; A191-R255 PolarHBondContact O-NH2 3.38Å; A191-N292 HydrophobicContact CB-CB 3.78Å; A191-N292 PolarHBondContact N-OD1 2.91Å
192Q98.4Very high98.5Very high6 Ų628.8 Ų28.83%0.02815%0.146CC..  trans5444.4178.7-61.6-73.17.200111.7V184 E185 L190 L196 Y324V184-Q192 HydrophobicContact CG2-CG 4.25Å; E185-Q192 WeakPolarHBondContact O-CG 3.3Å; E185-Q192 PolarHBondContact O-NE2 2.7Å; L190-Q192 HydrophobicContact CG-CG 4.5Å; L190-Q192 PolarHBondContact O-N 3.49Å; Q192-L196 WeakPolarHBondContact O-CB 3.27Å; Q192-L196 PolarHBondContact O-N 2.88Å; Q192-Y324 VanDerWaalsContact OE1-CD2 3.23Å
193V97.9Very high98.5Very high64 Ų6430.5 Ų30.539%0.38816%0.164SC..Hα-helixtrans-63.8-52.5-171177.20000110.1A191 A197 T289A191-V193 VanDerWaalsContact C-N 3.28Å; A191-V193 HydrophobicContact CB-CG2 3.91Å; A191-V193 PolarHBondContact O-N 2.68Å; V193-A197 PolarHBondContact O-N 3.14Å; V193-A197 VanDerWaalsContact O-N 3.15Å; V193-T289 HydrophobicContact CG2-CG2 4.3Å
194D98.4Very high98.5Very high105 Ų10530.8 Ų30.856%0.56117%0.165SC*.Hα-helixtrans-76.6-39.7-175.2-49.9-35.6000110.8L196 A197 H198 Y324D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 3.33Å; D194-A197 PolarHBondContact O-N 3.24Å; D194-H198 VanDerWaalsContact O-CB 3.31Å; D194-H198 WeakPolarHBondContact O-CB 3.14Å; D194-H198 PolarHBondContact O-N 3.01Å; D194-Y324 VanDerWaalsContact CB-OXT 3.26Å; D194-Y324 WeakPolarHBondContact CB-OXT 3.48Å
195L98.8Very high98.4Very high1 Ų131.6 Ų31.61%0.00517%0.17CC..Hα-helixtrans-62.6-37.7174.9-168.759.4000112.9I168 L182 V184 H198 C199 Y324I168-L195 HydrophobicContact CD1-CD1 3.96Å; L182-L195 HydrophobicContact CD2-CD1 4.1Å; L182-L195 HydrophobicContact CD2-CD2 3.81Å; L182-L195 HydrophobicContact CD2-CG 3.83Å; V184-L195 HydrophobicContact CG1-CD2 4.18Å; V184-L195 HydrophobicContact CG2-CD2 4.36Å; L195-H198 PolarHBondContact O-N 3.24Å; L195-C199 PolarHBondContact O-N 2.93Å; L195-C199 PolarHBondContact O-SG 2.9Å; L195-C199 VanDerWaalsContact O-SG 3.41Å; L195-Y324 HydrophobicContact CB-CD2 3.75Å; L195-Y324 HydrophobicContact CB-CE2 4.44Å; L195-Y324 HydrophobicContact CB-CG 4.17Å; L195-Y324 HydrophobicContact CD2-CD2 3.91Å; L195-Y324 HydrophobicContact CD2-CE2 3.82Å; L195-Y324 HydrophobicContact CD2-CG 4.41Å; L195-Y324 HydrophobicContact CG-CD2 4.37Å
196L98.5Very high98.5Very high7 Ų731.8 Ų31.84%0.03717%0.171CC..Hα-helixtrans-65.6-44.4174.317862.4000111.5Q192 D194 H198 C199 R200 V206 R255 V257Q192-L196 WeakPolarHBondContact O-CB 3.27Å; Q192-L196 PolarHBondContact O-N 2.88Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 3.33Å; L196-H198 VanDerWaalsContact C-N 3.33Å; L196-C199 PolarHBondContact O-N 3.09Å; L196-R200 HydrophobicContact CD1-CG 4.31Å; L196-R200 WeakPolarHBondContact O-CG 3.33Å; L196-R200 PolarHBondContact O-N 3.23Å; L196-V206 HydrophobicContact CD1-CB 3.73Å; L196-V206 HydrophobicContact CD1-CG1 4.48Å; L196-V206 HydrophobicContact CD1-CG2 3.45Å; L196-V206 VanDerWaalsContact CD1-CG2 3.45Å; L196-R255 VanDerWaalsContact CD2-CZ 3.48Å; L196-V257 HydrophobicContact CD1-CG2 3.83Å; L196-V257 HydrophobicContact CD2-CG2 3.75Å; L196-V257 HydrophobicContact CG-CG2 4.47Å
197A98.5Very high98.5Very high44 Ų4431.8 Ų31.836%0.36417%0.171SC..Hα-helixtrans-59.6-47.5176.600000110.5V193 D194 C199 R200 D201V193-A197 PolarHBondContact O-N 3.14Å; V193-A197 VanDerWaalsContact O-N 3.15Å; D194-A197 PolarHBondContact O-N 3.24Å; A197-C199 PolarHBondContact O-N 2.97Å; A197-R200 PolarHBondContact O-N 3.12Å; A197-R200 VanDerWaalsContact O-N 3.11Å; A197-D201 PolarHBondContact O-N 3.18Å
198H98.8Very high98.5Very high28 Ų2831.8 Ų31.813%0.1317%0.171CC..Hα-helixtrans-55.6-46.3176.8-178.197.2000112.7S165 D169 D194 L195 L196 R202S165-H198 PolarHBondContact O-NE2 3.28Å; D169-H198 IonicContact OD1-CE1 2.96Å; D169-H198 IonicContact OD1-NE2 2.65Å; D169-H198 IonicContact OD2-CE1 3.57Å; D169-H198 PolarHBondContact OD2-CE1 3.32Å; D194-H198 VanDerWaalsContact O-CB 3.31Å; D194-H198 WeakPolarHBondContact O-CB 3.14Å; D194-H198 PolarHBondContact O-N 3.01Å; L195-H198 PolarHBondContact O-N 3.24Å; L196-H198 VanDerWaalsContact C-N 3.33Å; H198-R202 PolarHBondContact CE1-NE 2.96Å; H198-R202 VanDerWaalsContact CE1-NE 3.28Å; H198-R202 PolarHBondContact CE1-NH1 3.41Å; H198-R202 PolarHBondContact CE1-NH2 3.06Å; H198-R202 PolarHBondContact ND1-NH1 3.41Å; H198-R202 WeakPolarHBondContact NE2-CD 3.35Å; H198-R202 PolarHBondContact NE2-NE 2.78Å; H198-R202 VanDerWaalsContact NE2-NE 3.18Å; H198-R202 WeakPolarHBondContact O-CD 3.21Å; H198-R202 PolarHBondContact O-N 3.16Å; H198-R202 PolarHBondContact O-NH1 3.45Å
199C98.8Very high98.5Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-63-43175.8-76.10000112.6L182 L195 L196 A197 R202 G203 L204 V206L182-C199 WeakPolarHBondContact CD2-SG 3.5Å; L195-C199 PolarHBondContact O-N 2.93Å; L195-C199 PolarHBondContact O-SG 2.9Å; L195-C199 VanDerWaalsContact O-SG 3.41Å; L196-C199 PolarHBondContact O-N 3.09Å; A197-C199 PolarHBondContact O-N 2.97Å; C199-R202 CarbonylContact O-C 3.51Å; C199-R202 VanDerWaalsContact O-C 3.3Å; C199-R202 WeakPolarHBondContact O-CA 3.38Å; C199-R202 PolarHBondContact O-N 2.95Å; C199-R202 VanDerWaalsContact O-N 3.12Å; C199-G203 PolarHBondContact O-N 3.27Å; C199-L204 HydrophobicContact CB-CB 3.93Å; C199-L204 PolarHBondContact O-N 2.89Å; C199-V206 HydrophobicContact CB-CG2 3.64Å
200R97.7Very high98.5Very high136 Ų13633.5 Ų33.551%0.51318%0.18SC..Hα-helixtrans-63.3-44179.9-76172.9175.3172.6-4.2112.3L196 A197 R202 G203 R255L196-R200 HydrophobicContact CD1-CG 4.31Å; L196-R200 WeakPolarHBondContact O-CG 3.33Å; L196-R200 PolarHBondContact O-N 3.23Å; A197-R200 PolarHBondContact O-N 3.12Å; A197-R200 VanDerWaalsContact O-N 3.11Å; R200-R202 PolarHBondContact O-N 3.38Å; R200-R202 VanDerWaalsContact O-N 3.14Å; R200-G203 PolarHBondContact O-N 3.34Å; R200-R255 PolarHBondContact NH2-O 3.02Å
201D98.3Very high98.4Very high135 Ų13533 Ų3372%0.72218%0.178SC*.Hα-helixtrans-60.9-25.3176.7-67-14.9000111.9A197A197-D201 PolarHBondContact O-N 3.18Å
202R98.5Very high98.4Very high61 Ų6134.4 Ų34.423%0.2319%0.185CC..THydrogen-bonded Turntrans-98.25.1175.5-70156.2176.775.3-3112.9D169 L172 K178 H198 C199 R200 L204D169-R202 VanDerWaalsContact CG-NH2 3.32Å; D169-R202 IonicContact OD1-CZ 3.8Å; D169-R202 IonicContact OD1-NE 2.88Å; D169-R202 PolarHBondContact OD1-NE 2.65Å; D169-R202 IonicContact OD1-NH2 2.7Å; D169-R202 PolarHBondContact OD1-NH2 2.83Å; D169-R202 IonicContact OD2-CZ 2.63Å; D169-R202 IonicContact OD2-NH2 2.78Å; D169-R202 PolarHBondContact OD2-NH2 3.49Å; L172-R202 HydrophobicContact CD1-CB 4.01Å; L172-R202 VanDerWaalsContact CD1-CD 3.46Å; L172-R202 HydrophobicContact CD1-CG 3.72Å; K178-R202 WeakPolarHBondContact CE-O 3.49Å; K178-R202 PolarHBondContact NZ-O 3.09Å; H198-R202 PolarHBondContact CE1-NE 2.96Å; H198-R202 VanDerWaalsContact CE1-NE 3.28Å; H198-R202 PolarHBondContact CE1-NH1 3.41Å; H198-R202 PolarHBondContact CE1-NH2 3.06Å; H198-R202 PolarHBondContact ND1-NH1 3.41Å; H198-R202 WeakPolarHBondContact NE2-CD 3.35Å; H198-R202 PolarHBondContact NE2-NE 2.78Å; H198-R202 VanDerWaalsContact NE2-NE 3.18Å; H198-R202 WeakPolarHBondContact O-CD 3.21Å; H198-R202 PolarHBondContact O-N 3.16Å; H198-R202 PolarHBondContact O-NH1 3.45Å; C199-R202 CarbonylContact O-C 3.51Å; C199-R202 VanDerWaalsContact O-C 3.3Å; C199-R202 WeakPolarHBondContact O-CA 3.38Å; C199-R202 PolarHBondContact O-N 2.95Å; C199-R202 VanDerWaalsContact O-N 3.12Å; R200-R202 PolarHBondContact O-N 3.38Å; R200-R202 VanDerWaalsContact O-N 3.14Å; R202-L204 VanDerWaalsContact C-N 3.28Å; R202-L204 HydrophobicContact CB-CD1 3.88Å; R202-L204 WeakPolarHBondContact O-CD1 3.43Å; R202-L204 PolarHBondContact O-N 3.29Å
203G97.9Very high98.1Very high37 Ų3734.2 Ų34.238%0.38119%0.185SC..THydrogen-bonded Turntrans6429.6179.200000114.5C199 R200C199-G203 PolarHBondContact O-N 3.27Å; R200-G203 PolarHBondContact O-N 3.34Å
204L98.8Very high97.7Very high6 Ų631.8 Ų31.83%0.03117%0.171CC..PPolyproline II helixtrans-94.3136.4168.9-82.167.5000109.3I168 P179 L182 C199 R202I168-L204 HydrophobicContact CG2-CD2 4.09Å; P179-L204 HydrophobicContact CB-CD2 4.21Å; P179-L204 HydrophobicContact CG-CD1 4.42Å; P179-L204 HydrophobicContact CG-CD2 4.17Å; P179-L204 WeakPolarHBondContact O-CD1 3.37Å; P179-L204 WeakPolarHBondContact O-CG 3.17Å; L182-L204 HydrophobicContact CB-CD2 4.46Å; C199-L204 HydrophobicContact CB-CB 3.93Å; C199-L204 PolarHBondContact O-N 2.89Å; R202-L204 VanDerWaalsContact C-N 3.28Å; R202-L204 HydrophobicContact CB-CD1 3.88Å; R202-L204 WeakPolarHBondContact O-CD1 3.43Å; R202-L204 PolarHBondContact O-N 3.29Å
205V98.7Very high97Very high18 Ų1829.8 Ų29.811%0.10916%0.163CC..EExtended strand (participates in β ladder)trans-81.7137.7168.2170.80000109.2A5 L7 T180 V181 L182 V258A5-V205 HydrophobicContact CB-CG1 3.83Å; A5-V205 HydrophobicContact CB-CG2 3.96Å; L7-V205 HydrophobicContact CD2-CB 3.96Å; L7-V205 HydrophobicContact CD2-CG1 4.49Å; L7-V205 HydrophobicContact CD2-CG2 3.8Å; T180-V205 PolarHBondContact O-N 2.78Å; V181-V205 CarbonylContact C-O 3.3Å; V181-V205 WeakPolarHBondContact CA-O 3.22Å; V181-V205 HydrophobicContact CG2-CB 4.33Å; L182-V205 PolarHBondContact N-O 3.47Å; V205-V258 HydrophobicContact CG1-CG2 3.63Å
206V98.9Very high96.2Very high4 Ų433.9 Ų33.92%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-95.7133.1174.5176.50000109.9L182 V184 L196 C199 V257 V258L182-V206 CarbonylContact O-C 3.4Å; L182-V206 WeakPolarHBondContact O-CA 3.29Å; V184-V206 HydrophobicContact CG2-CG1 4.07Å; L196-V206 HydrophobicContact CD1-CB 3.73Å; L196-V206 HydrophobicContact CD1-CG1 4.48Å; L196-V206 HydrophobicContact CD1-CG2 3.45Å; L196-V206 VanDerWaalsContact CD1-CG2 3.45Å; C199-V206 HydrophobicContact CB-CG2 3.64Å; V206-V257 HydrophobicContact CB-CG2 4.42Å; V206-V257 HydrophobicContact CG1-CG1 4.21Å; V206-V258 PolarHBondContact O-N 3.01Å
207T98.9Very high95.5Very high0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-109.8120.8168.9-60.20000110V181 L182 Q183 V184 Y209 V258 I260V181-T207 WeakPolarHBondContact CG1-OG1 3.46Å; L182-T207 PolarHBondContact O-N 3.3Å; Q183-T207 VanDerWaalsContact CA-O 3.3Å; Q183-T207 WeakPolarHBondContact CA-O 3.47Å; Q183-T207 HydrophobicContact CG-CG2 3.86Å; V184-T207 PolarHBondContact N-O 3.38Å; T207-Y209 PolarHBondContact O-N 3.49Å; T207-V258 CarbonylContact C-O 3.49Å; T207-V258 VanDerWaalsContact CA-O 3.24Å; T207-V258 WeakPolarHBondContact CA-O 3.24Å; T207-V258 HydrophobicContact CG2-CB 4.33Å; T207-V258 HydrophobicContact CG2-CG1 4.1Å; T207-I260 HydrophobicContact CG2-CD1 3.97Å; T207-I260 HydrophobicContact CG2-CG1 3.89Å; T207-I260 HydrophobicContact CG2-CG2 3.98Å
208A98.9Very high94.4Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-81.4109.2174.800000110.8V184 P211 Q252 V257 V258 I260V184-A208 WeakPolarHBondContact O-CA 3.38Å; A208-P211 HydrophobicContact CB-CB 4.44Å; A208-Q252 HydrophobicContact CB-CG 4.48Å; A208-V257 HydrophobicContact CB-CG1 3.7Å; A208-V258 PolarHBondContact N-O 3.38Å; A208-I260 VanDerWaalsContact O-CG1 3.27Å; A208-I260 WeakPolarHBondContact O-CG1 3.41Å; A208-I260 PolarHBondContact O-N 3.33Å
209Y98.7Very high93.3Very high25 Ų2537.5 Ų37.510%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-84.2160.9159.775.5-115.3000110.4N162 Q183 V184 E185 S186 T207 P211 I298N162-Y209 WeakPolarHBondContact OD1-CE1 3.33Å; N162-Y209 PolarHBondContact OD1-OH 3.24Å; Q183-Y209 HydrophobicContact CG-CD1 4.15Å; V184-Y209 VanDerWaalsContact CA-CE1 3.42Å; V184-Y209 PolarHBondContact O-N 2.86Å; E185-Y209 VanDerWaalsContact CA-CE2 3.44Å; E185-Y209 HydrophobicContact CB-CD2 4.1Å; E185-Y209 HydrophobicContact CB-CE1 4.46Å; E185-Y209 HydrophobicContact CB-CE2 3.36Å; E185-Y209 HydrophobicContact CG-CD2 4.48Å; E185-Y209 HydrophobicContact CG-CE2 3.95Å; S186-Y209 PolarHBondContact N-O 3.49Å; T207-Y209 PolarHBondContact O-N 3.49Å; Y209-P211 VanDerWaalsContact C-N 3.27Å; Y209-I298 HydrophobicContact CD2-CG1 4.38Å; Y209-I298 HydrophobicContact CE2-CB 3.82Å; Y209-I298 HydrophobicContact CE2-CG1 3.76Å; Y209-I298 HydrophobicContact CE2-CG2 4.03Å
210S97.6Very high92.4Very high14 Ų1441.4 Ų41.410%0.09822%0.223CC..SBendtrans49.440.7-174.5-66.70000114.3H187 L212 G213 S214 I298H187-S210 PolarHBondContact CD2-O 2.91Å; S210-L212 PolarHBondContact O-N 2.94Å; S210-G213 PolarHBondContact O-N 2.98Å; S210-S214 VanDerWaalsContact CB-OG 3.27Å; S210-S214 WeakPolarHBondContact CB-OG 3.48Å; S210-S214 PolarHBondContact OG-OG 3.46Å; S210-I298 WeakPolarHBondContact OG-CG1 3.31Å
211P98.1Very high91.3Very high3 Ų340 Ų402%0.01922%0.221CC..THydrogen-bonded Turntrans-63.3-21.9-172.129.2-37.7000113.4S186 H187 A208 Y209 I248 L249 T259 P261S186-P211 WeakPolarHBondContact O-CA 3.15Å; H187-P211 WeakPolarHBondContact CB-O 3.32Å; A208-P211 HydrophobicContact CB-CB 4.44Å; Y209-P211 VanDerWaalsContact C-N 3.27Å; P211-I248 WeakPolarHBondContact O-CG2 3.39Å; P211-L249 HydrophobicContact CB-CD2 4.06Å; P211-L249 HydrophobicContact CG-CD2 4.02Å; P211-T259 WeakPolarHBondContact CB-OG1 3.46Å; P211-T259 WeakPolarHBondContact CG-OG1 3.29Å; P211-P261 HydrophobicContact CG-CB 4.06Å
212L97.3Very high90.5Very high28 Ų2838.9 Ų38.915%0.14722%0.222CC..THydrogen-bonded Turntrans-99.917.1179-54.3-178.5000113.1S210 S214 L228 A245 I248 L249 P261S210-L212 PolarHBondContact O-N 2.94Å; L212-S214 VanDerWaalsContact C-N 3.34Å; L212-S214 PolarHBondContact O-N 2.93Å; L212-L228 HydrophobicContact CD2-CD2 4.47Å; L212-A245 HydrophobicContact CD1-CB 4Å; L212-A245 HydrophobicContact CD2-CB 3.84Å; L212-I248 HydrophobicContact CD2-CB 4.28Å; L212-I248 HydrophobicContact CD2-CD1 4.49Å; L212-I248 HydrophobicContact CD2-CG2 4.33Å; L212-L249 HydrophobicContact CD2-CD2 4.14Å; L212-L249 HydrophobicContact CD2-CG 4.02Å; L212-P261 HydrophobicContact CD1-CB 4.08Å; L212-P261 HydrophobicContact CG-CB 4.41Å
213G93.1Very high89.6Confident3 Ų342.4 Ų42.43%0.03125%0.245CC..  trans74.816.217400000115.6S210 R217S210-G213 PolarHBondContact O-N 2.98Å; G213-R217 PolarHBondContact O-NH1 3.25Å
214S88.9Confident88.9Confident12 Ų1241.8 Ų41.88%0.08423%0.232CC..  trans39.561.4176.6-75.50000114.7S210 L212 D216 R217S210-S214 VanDerWaalsContact CB-OG 3.27Å; S210-S214 WeakPolarHBondContact CB-OG 3.48Å; S210-S214 PolarHBondContact OG-OG 3.46Å; L212-S214 VanDerWaalsContact C-N 3.34Å; L212-S214 PolarHBondContact O-N 2.93Å; S214-D216 PolarHBondContact O-N 2.96Å; S214-D216 VanDerWaalsContact O-N 3.12Å; S214-R217 WeakPolarHBondContact O-CG 3.22Å; S214-R217 PolarHBondContact O-N 3.21Å; S214-R217 PolarHBondContact O-NH1 3.05Å
215P83.8Confident88.1Confident63 Ų6343.1 Ų43.141%0.40924%0.241SC..THydrogen-bonded Turntrans-65.1-16.9-174.327-35.8000114
216D82Confident87.7Confident88 Ų8844.8 Ų44.847%0.47125%0.251SS..THydrogen-bonded Turntrans-96.616.7-179.773.4-19.6000113.5K22 S214K22-D216 VanDerWaalsContact NZ-C 3.29Å; K22-D216 PolarHBondContact NZ-O 3.2Å; K22-D216 IonicContact NZ-OD1 2.94Å; K22-D216 PolarHBondContact NZ-OD1 3.12Å; K22-D216 IonicContact NZ-OD2 3.49Å; S214-D216 PolarHBondContact O-N 2.96Å; S214-D216 VanDerWaalsContact O-N 3.12Å
217R83.1Confident87.5Confident11 Ų1144.8 Ų44.84%0.04225%0.251CS..  trans-70.7138.4178.569.5-175.5174-82.1-3.9112K22 G213 S214 W219 K220 E224 Y297K22-R217 VanDerWaalsContact NZ-CA 3.29Å; G213-R217 PolarHBondContact O-NH1 3.25Å; S214-R217 WeakPolarHBondContact O-CG 3.22Å; S214-R217 PolarHBondContact O-N 3.21Å; S214-R217 PolarHBondContact O-NH1 3.05Å; R217-W219 HydrophobicContact CB-CD2 4.44Å; R217-W219 PolarHBondContact O-N 2.95Å; R217-K220 HydrophobicContact CG-CB 3.85Å; R217-K220 PolarHBondContact O-N 2.96Å; R217-E224 IonicContact CZ-OE1 3.71Å; R217-E224 IonicContact CZ-OE2 3.63Å; R217-E224 IonicContact NE-OE1 3.79Å; R217-E224 PolarHBondContact NE-OE1 3.38Å; R217-E224 IonicContact NE-OE2 2.77Å; R217-E224 IonicContact NH2-OE1 3.04Å; R217-E224 PolarHBondContact NH2-OE1 3.31Å; R217-E224 IonicContact NH2-OE2 2.59Å; R217-E224 PolarHBondContact NH2-OE2 3.06Å; R217-Y297 VanDerWaalsContact NH1-CD1 3.33Å
218A76Confident87.3Confident81 Ų8146.8 Ų46.867%0.66926%0.262SS*.THydrogen-bonded Turntrans-67.8-5.8-175.900000114.5R308A218-R308 PolarHBondContact O-NH1 3.41Å; A218-R308 VanDerWaalsContact O-NH1 3.12Å
219W75.4Confident87.2Confident63 Ų6352.7 Ų52.724%0.23929%0.289CS..THydrogen-bonded Turntrans-122.118.5179.458.388.6000113.5W21 R217 H221 Y297 I298 M301 R308W21-W219 HydrophobicContact CH2-CH2 4.21Å; W21-W219 HydrophobicContact CZ2-CH2 4.49Å; R217-W219 HydrophobicContact CB-CD2 4.44Å; R217-W219 PolarHBondContact O-N 2.95Å; W219-H221 PolarHBondContact O-N 3.49Å; W219-Y297 PolarHBondContact NE1-O 2.9Å; W219-I298 HydrophobicContact CZ2-CD1 4.21Å; W219-M301 HydrophobicContact CG-CG 4.24Å; W219-R308 VanDerWaalsContact CA-NH1 3.31Å; W219-R308 VanDerWaalsContact CB-NH1 3.31Å
220K80.5Confident87.1Confident82 Ų8253.4 Ų53.436%0.35729%0.294SS..  trans-59.1123.1176.4178.3175.3177.3-169.50109.6R217 E224R217-K220 HydrophobicContact CG-CB 3.85Å; R217-K220 PolarHBondContact O-N 2.96Å; K220-E224 WeakPolarHBondContact CA-OE1 3.46Å
221H74.4Confident87.1Confident105 Ų10557.1 Ų57.149%0.48632%0.317SS..  trans-77.3139.6168.3-163.3-91.1000109.5W219 D223 E224W219-H221 PolarHBondContact O-N 3.49Å; H221-D223 IonicContact CE1-OD2 2.74Å; H221-D223 PolarHBondContact CE1-OD2 3.47Å; H221-D223 PolarHBondContact ND1-N 3.06Å; H221-D223 IonicContact ND1-OD2 2.94Å; H221-D223 PolarHBondContact ND1-OD2 3.2Å; H221-D223 PolarHBondContact O-N 3.02Å; H221-E224 HydrophobicContact CB-CG 3.62Å; H221-E224 PolarHBondContact N-OE1 3.36Å; H221-E224 WeakPolarHBondContact O-CB 3.47Å; H221-E224 WeakPolarHBondContact O-CG 3.47Å; H221-E224 PolarHBondContact O-N 3.05Å
222P80.1Confident87Confident112 Ų11258.4 Ų58.473%0.72733%0.328SS*.THydrogen-bonded Turntrans-55.9-35-179.8-27.835.7000113.6E224P222-E224 VanDerWaalsContact C-N 3.27Å; P222-E224 PolarHBondContact O-N 3.09Å
223D80.7Confident87.1Confident136 Ų13657.1 Ų57.173%0.72732%0.321SS*.THydrogen-bonded Turntrans-82.50.1-179-53.5-37.7000113.7H221H221-D223 IonicContact CE1-OD2 2.74Å; H221-D223 PolarHBondContact CE1-OD2 3.47Å; H221-D223 PolarHBondContact ND1-N 3.06Å; H221-D223 IonicContact ND1-OD2 2.94Å; H221-D223 PolarHBondContact ND1-OD2 3.2Å; H221-D223 PolarHBondContact O-N 3.02Å
224E83Confident87.3Confident24 Ų2460 Ų6011%0.11234%0.336CS..SBendtrans-69.3136.9177.4-60.8-162.9-11700111.2R217 K220 H221 P222 V226 W295 Y297R217-E224 IonicContact CZ-OE1 3.71Å; R217-E224 IonicContact CZ-OE2 3.63Å; R217-E224 IonicContact NE-OE1 3.79Å; R217-E224 PolarHBondContact NE-OE1 3.38Å; R217-E224 IonicContact NE-OE2 2.77Å; R217-E224 IonicContact NH2-OE1 3.04Å; R217-E224 PolarHBondContact NH2-OE1 3.31Å; R217-E224 IonicContact NH2-OE2 2.59Å; R217-E224 PolarHBondContact NH2-OE2 3.06Å; K220-E224 WeakPolarHBondContact CA-OE1 3.46Å; H221-E224 HydrophobicContact CB-CG 3.62Å; H221-E224 PolarHBondContact N-OE1 3.36Å; H221-E224 WeakPolarHBondContact O-CB 3.47Å; H221-E224 WeakPolarHBondContact O-CG 3.47Å; H221-E224 PolarHBondContact O-N 3.05Å; P222-E224 VanDerWaalsContact C-N 3.27Å; P222-E224 PolarHBondContact O-N 3.09Å; E224-V226 PolarHBondContact O-N 3.48Å; E224-W295 HydrophobicContact CB-CZ2 4.15Å; E224-W295 HydrophobicContact CG-CZ2 3.72Å; E224-W295 WeakPolarHBondContact OE2-CZ2 3.42Å; E224-W295 PolarHBondContact OE2-NE1 3.11Å; E224-W295 VanDerWaalsContact OE2-NE1 3.09Å; E224-Y297 WeakPolarHBondContact OE2-CD1 3.31Å; E224-Y297 VanDerWaalsContact OE2-CE1 3.31Å; E224-Y297 WeakPolarHBondContact OE2-CE1 3.36Å
225P81.9Confident87.8Confident33 Ų3363 Ų6321%0.21436%0.357CS..  trans-61.7138.1176.627.5-35.2000110.5Y189 W295 Y297Y189-P225 HydrophobicContact CD2-CG 4.31Å; Y189-P225 HydrophobicContact CE2-CB 3.8Å; Y189-P225 HydrophobicContact CE2-CG 3.88Å; P225-W295 HydrophobicContact CG-CD2 4.48Å; P225-Y297 PolarHBondContact O-OH 2.75Å
226V90.6Very high88.5Confident54 Ų5460.6 Ų60.633%0.32734%0.341SS..  trans-96.4103.2177.8-176.90000108.4E224 L228 Q229E224-V226 PolarHBondContact O-N 3.48Å; V226-L228 PolarHBondContact O-N 2.79Å; V226-L228 VanDerWaalsContact O-N 3.11Å; V226-Q229 HydrophobicContact CB-CB 4.21Å; V226-Q229 HydrophobicContact CB-CG 4.09Å; V226-Q229 HydrophobicContact CG1-CB 4.35Å; V226-Q229 HydrophobicContact CG1-CG 3.82Å; V226-Q229 WeakPolarHBondContact O-CA 3.41Å; V226-Q229 WeakPolarHBondContact O-CB 3.22Å; V226-Q229 PolarHBondContact O-N 2.98Å
227L93.7Very high89.3Confident3 Ų356.9 Ų56.92%0.01632%0.322CS..G310 helixtrans-50.5-38.9-176.9175.364.7000114.2H187 P188 Y189 Q229 E230 I248H187-L227 HydrophobicContact CB-CD2 3.69Å; P188-L227 HydrophobicContact CB-CD1 3.83Å; P188-L227 HydrophobicContact CG-CD1 3.91Å; Y189-L227 HydrophobicContact CD1-CD1 4.23Å; Y189-L227 HydrophobicContact CD2-CB 4.3Å; Y189-L227 HydrophobicContact CD2-CD1 4.21Å; Y189-L227 HydrophobicContact CE1-CD1 4.09Å; Y189-L227 HydrophobicContact CE2-CB 3.86Å; Y189-L227 HydrophobicContact CE2-CD1 4.06Å; Y189-L227 HydrophobicContact CG-CD1 4.27Å; L227-Q229 PolarHBondContact O-N 3.08Å; L227-E230 WeakPolarHBondContact O-CB 3.41Å; L227-E230 PolarHBondContact O-N 3.34Å; L227-I248 HydrophobicContact CD1-CD1 4.4Å; L227-I248 HydrophobicContact CD2-CD1 3.96Å; L227-I248 HydrophobicContact CG-CD1 3.76Å
228L95.9Very high90Very high42 Ų4263.9 Ų63.922%0.2236%0.355CS..G310 helixtrans-69.1-10.3178.5-69.4168.6000114L212 V226 P244 A245 I248L212-L228 HydrophobicContact CD2-CD2 4.47Å; V226-L228 PolarHBondContact O-N 2.79Å; V226-L228 VanDerWaalsContact O-N 3.11Å; L228-P244 HydrophobicContact CD2-CB 4.06Å; L228-P244 WeakPolarHBondContact O-CB 3.36Å; L228-A245 HydrophobicContact CD2-CB 4.14Å; L228-I248 HydrophobicContact CD2-CD1 3.82Å
229Q95.9Very high91.1Very high125 Ų12565.2 Ų65.258%0.58435%0.346SS*.G310 helixtrans-110.19.1178.2-59.8-61.9-30.500112.1V226 L227 P231V226-Q229 HydrophobicContact CB-CB 4.21Å; V226-Q229 HydrophobicContact CB-CG 4.09Å; V226-Q229 HydrophobicContact CG1-CB 4.35Å; V226-Q229 HydrophobicContact CG1-CG 3.82Å; V226-Q229 WeakPolarHBondContact O-CA 3.41Å; V226-Q229 WeakPolarHBondContact O-CB 3.22Å; V226-Q229 PolarHBondContact O-N 2.98Å; L227-Q229 PolarHBondContact O-N 3.08Å; Q229-P231 WeakPolarHBondContact O-CD 3.31Å
230E96.7Very high92.2Very high40 Ų4064.4 Ų64.419%0.18734%0.343CS..  trans-63.9125.8178.3-175.560.4-139.600110.2Y189 L227 A232 V233 L234 L291Y189-E230 HydrophobicContact CE1-CG 4.31Å; Y189-E230 VanDerWaalsContact CE1-OE2 3.31Å; Y189-E230 WeakPolarHBondContact CE1-OE2 3.31Å; Y189-E230 VanDerWaalsContact CZ-OE2 3.28Å; Y189-E230 PolarHBondContact OH-OE2 2.88Å; L227-E230 WeakPolarHBondContact O-CB 3.41Å; L227-E230 PolarHBondContact O-N 3.34Å; E230-A232 VanDerWaalsContact C-N 3.27Å; E230-A232 PolarHBondContact O-N 2.59Å; E230-A232 VanDerWaalsContact O-N 3.16Å; E230-V233 HydrophobicContact CB-CB 4.2Å; E230-V233 HydrophobicContact CB-CG2 3.92Å; E230-V233 HydrophobicContact CG-CG2 4.3Å; E230-V233 WeakPolarHBondContact O-CA 3.41Å; E230-V233 WeakPolarHBondContact O-CB 3.16Å; E230-V233 PolarHBondContact O-N 2.77Å; E230-L234 PolarHBondContact O-N 2.54Å; E230-L291 HydrophobicContact CG-CD1 3.7Å; E230-L291 HydrophobicContact CG-CD2 3.76Å; E230-L291 HydrophobicContact CG-CG 4.36Å
231P97.2Very high93.1Very high91 Ų9169.8 Ų69.859%0.59137%0.366SS*.Hα-helixtrans-54-39.6-175-31.136.6000114.4Q229 V233 L234 S235Q229-P231 WeakPolarHBondContact O-CD 3.31Å; P231-V233 VanDerWaalsContact C-N 3.31Å; P231-V233 PolarHBondContact O-N 2.99Å; P231-L234 PolarHBondContact O-N 2.81Å; P231-S235 WeakPolarHBondContact O-CB 3.43Å; P231-S235 PolarHBondContact O-N 3.48Å
232A97.1Very high94.2Very high31 Ų3166.4 Ų66.426%0.25635%0.35SS..Hα-helixtrans-63.1-37.1176.300000112.3E230 L236 L291E230-A232 VanDerWaalsContact C-N 3.27Å; E230-A232 PolarHBondContact O-N 2.59Å; E230-A232 VanDerWaalsContact O-N 3.16Å; A232-L236 WeakPolarHBondContact O-CG 3.38Å; A232-L236 PolarHBondContact O-N 2.89Å; A232-L291 HydrophobicContact CB-CD1 4.5Å; A232-L291 HydrophobicContact CB-CD2 4.34Å
233V98.4Very high95.1Very high0 Ų062 Ų620%032%0.322CS..Hα-helixtrans-72.2-42.8177.1178.20000110.6E230 P231 L236 A237 P244 I247 I248 L291E230-V233 HydrophobicContact CB-CB 4.2Å; E230-V233 HydrophobicContact CB-CG2 3.92Å; E230-V233 HydrophobicContact CG-CG2 4.3Å; E230-V233 WeakPolarHBondContact O-CA 3.41Å; E230-V233 WeakPolarHBondContact O-CB 3.16Å; E230-V233 PolarHBondContact O-N 2.77Å; P231-V233 VanDerWaalsContact C-N 3.31Å; P231-V233 PolarHBondContact O-N 2.99Å; V233-L236 PolarHBondContact O-N 2.71Å; V233-A237 WeakPolarHBondContact O-CB 3.47Å; V233-A237 PolarHBondContact O-N 2.55Å; V233-P244 HydrophobicContact CG1-CB 3.79Å; V233-I247 HydrophobicContact CG1-CB 4.15Å; V233-I247 HydrophobicContact CG1-CG2 4.16Å; V233-I248 HydrophobicContact CG1-CD1 4.21Å; V233-I248 HydrophobicContact CG1-CG1 4.04Å; V233-I248 HydrophobicContact CG2-CG1 4.32Å; V233-L291 HydrophobicContact CG2-CD1 4.22Å
234L98.6Very high95.9Very high64 Ų6457.1 Ų57.134%0.33530%0.298SS..Hα-helixtrans-62.8-42.6178.1-66.2178.2000112E230 P231 L236 A237 E238 P244E230-L234 PolarHBondContact O-N 2.54Å; P231-L234 PolarHBondContact O-N 2.81Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 2.82Å; L234-A237 WeakPolarHBondContact O-CB 3.39Å; L234-A237 PolarHBondContact O-N 2.62Å; L234-E238 PolarHBondContact O-N 3.22Å; L234-P244 HydrophobicContact CD2-CG 3.74Å
235S98.4Very high96.7Very high76 Ų7656.4 Ų56.453%0.53130%0.296SS..Hα-helixtrans-61.8-41.4177.3-179.40000112.1P231 E238 K239P231-S235 WeakPolarHBondContact O-CB 3.43Å; P231-S235 PolarHBondContact O-N 3.48Å; S235-E238 PolarHBondContact O-N 2.88Å; S235-K239 PolarHBondContact O-N 3.15Å
236L98.8Very high97.5Very high12 Ų1255.2 Ų55.26%0.06329%0.288CS..Hα-helixtrans-70.2-36.5175.3-67.6175.2000112.3A232 V233 L234 E238 K239 Y240 I247 E284 I288A232-L236 WeakPolarHBondContact O-CG 3.38Å; A232-L236 PolarHBondContact O-N 2.89Å; V233-L236 PolarHBondContact O-N 2.71Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 2.82Å; L236-E238 VanDerWaalsContact C-N 3.29Å; L236-E238 PolarHBondContact O-N 3.29Å; L236-K239 PolarHBondContact O-N 3.29Å; L236-Y240 HydrophobicContact CD2-CE2 4.27Å; L236-Y240 WeakPolarHBondContact O-CD2 3.46Å; L236-Y240 PolarHBondContact O-N 3.33Å; L236-I247 HydrophobicContact CB-CD1 4.12Å; L236-I247 HydrophobicContact CB-CG1 4.24Å; L236-I247 HydrophobicContact CB-CG2 3.95Å; L236-I247 HydrophobicContact CD1-CG2 4.14Å; L236-E284 HydrophobicContact CD1-CB 4.18Å; L236-E284 HydrophobicContact CD2-CB 4.04Å; L236-E284 HydrophobicContact CD2-CG 3.71Å; L236-E284 VanDerWaalsContact CD2-OE1 3.3Å; L236-E284 WeakPolarHBondContact CD2-OE1 3.49Å; L236-I288 HydrophobicContact CD1-CD1 3.64Å; L236-I288 HydrophobicContact CD1-CG1 3.75Å
237A98.7Very high97.9Very high9 Ų952.7 Ų52.77%0.07427%0.272CS..Hα-helixtrans-57.7-44.2174.900000110.9V233 L234 K241 K242 P244 I247V233-A237 WeakPolarHBondContact O-CB 3.47Å; V233-A237 PolarHBondContact O-N 2.55Å; L234-A237 WeakPolarHBondContact O-CB 3.39Å; L234-A237 PolarHBondContact O-N 2.62Å; A237-K241 WeakPolarHBondContact O-CA 3.4Å; A237-K241 PolarHBondContact O-N 3.44Å; A237-K242 CarbonylContact C-O 3.5Å; A237-K242 WeakPolarHBondContact CA-O 3.41Å; A237-K242 VanDerWaalsContact CB-O 3.24Å; A237-K242 WeakPolarHBondContact CB-O 3.42Å; A237-K242 PolarHBondContact O-N 3.48Å; A237-K242 VanDerWaalsContact O-O 3.08Å; A237-P244 HydrophobicContact CB-CG 4.16Å; A237-I247 HydrophobicContact CB-CG1 4Å
238E98.6Very high98.1Very high159 Ų15952.5 Ų52.574%0.74327%0.272SS*.Hα-helixtrans-63.5-50.9173.5-174.3177.1-171.900112.1L234 S235 L236 Y240 K241L234-E238 PolarHBondContact O-N 3.22Å; S235-E238 PolarHBondContact O-N 2.88Å; L236-E238 VanDerWaalsContact C-N 3.29Å; L236-E238 PolarHBondContact O-N 3.29Å; E238-Y240 VanDerWaalsContact C-N 3.3Å; E238-Y240 PolarHBondContact O-N 3.24Å; E238-K241 PolarHBondContact O-N 2.94Å
239K98.6Very high98.3Very high108 Ų10850.5 Ų50.547%0.4726%0.261SS..Hα-helixtrans-53.3-46.7179.7179.5-179.5173.6-176.10112.1S235 L236 E281 E284S235-K239 PolarHBondContact O-N 3.15Å; L236-K239 PolarHBondContact O-N 3.29Å; K239-E281 IonicContact NZ-OE1 2.91Å; K239-E281 PolarHBondContact NZ-OE1 3.21Å; K239-E281 IonicContact NZ-OE2 2.88Å; K239-E284 VanDerWaalsContact CD-OE1 3.29Å; K239-E284 WeakPolarHBondContact CD-OE1 3.39Å; K239-E284 WeakPolarHBondContact CE-OE1 3.49Å; K239-E284 IonicContact NZ-OE1 2.76Å; K239-E284 PolarHBondContact NZ-OE1 3.34Å
240Y98.6Very high98.4Very high46 Ų4644.7 Ų44.718%0.1823%0.234CC..Hα-helixtrans-89.4-5.5-175.3-75.7-80.6000114.1L236 E238 K242 I247 F278 T279 L280 E284L236-Y240 HydrophobicContact CD2-CE2 4.27Å; L236-Y240 WeakPolarHBondContact O-CD2 3.46Å; L236-Y240 PolarHBondContact O-N 3.33Å; E238-Y240 VanDerWaalsContact C-N 3.3Å; E238-Y240 PolarHBondContact O-N 3.24Å; Y240-K242 PolarHBondContact O-N 3.22Å; Y240-I247 HydrophobicContact CD2-CD1 4.24Å; Y240-I247 HydrophobicContact CG-CD1 4.49Å; Y240-F278 HydrophobicContact CD1-CB 4.16Å; Y240-F278 AromaticContact CD1-CD2 3.57Å; Y240-F278 HydrophobicContact CD1-CD2 3.57Å; Y240-F278 HydrophobicContact CD1-CE2 4.38Å; Y240-F278 HydrophobicContact CD1-CG 4.25Å; Y240-F278 HydrophobicContact CE1-CD2 4.04Å; Y240-F278 AromaticContact CG-CD2 3.88Å; Y240-F278 HydrophobicContact CG-CD2 3.88Å; Y240-F278 HydrophobicContact CG-CE2 4.25Å; Y240-T279 WeakPolarHBondContact CE1-O 3.3Å; Y240-T279 PolarHBondContact OH-O 3.44Å; Y240-L280 HydrophobicContact CD2-CD2 4Å; Y240-L280 HydrophobicContact CE2-CD2 3.63Å; Y240-E284 WeakPolarHBondContact CE2-OE2 3.46Å; Y240-E284 PolarHBondContact OH-OE2 3.12Å
241K98.4Very high98.5Very high195 Ų19542.8 Ų42.885%0.84823%0.225SC*.THydrogen-bonded Turntrans53.545-171.2-55178.5-178.8179.20111.5A237 E238A237-K241 WeakPolarHBondContact O-CA 3.4Å; A237-K241 PolarHBondContact O-N 3.44Å; E238-K241 PolarHBondContact O-N 2.94Å
242K98.6Very high98.6Very high34 Ų3438.5 Ų38.515%0.14820%0.197CC..  trans-124.2162.3-178.6-69.3-70.2176169.20109.5A237 Y240 Q246 I247 Q274 D277 F278A237-K242 CarbonylContact C-O 3.5Å; A237-K242 WeakPolarHBondContact CA-O 3.41Å; A237-K242 VanDerWaalsContact CB-O 3.24Å; A237-K242 WeakPolarHBondContact CB-O 3.42Å; A237-K242 PolarHBondContact O-N 3.48Å; A237-K242 VanDerWaalsContact O-O 3.08Å; Y240-K242 PolarHBondContact O-N 3.22Å; K242-Q246 HydrophobicContact CB-CB 4.03Å; K242-Q246 HydrophobicContact CD-CB 4.43Å; K242-I247 HydrophobicContact CB-CD1 4.13Å; K242-Q274 PolarHBondContact NZ-O 3.37Å; K242-D277 IonicContact NZ-OD1 3.67Å; K242-D277 PolarHBondContact NZ-OD1 3.01Å; K242-D277 IonicContact NZ-OD2 3.92Å; K242-D277 PolarHBondContact NZ-OD2 3.17Å; K242-F278 HydrophobicContact CB-CZ 4.46Å; K242-F278 HydrophobicContact CD-CD1 4.08Å; K242-F278 HydrophobicContact CD-CE1 3.91Å; K242-F278 HydrophobicContact CG-CD1 4.1Å; K242-F278 HydrophobicContact CG-CE1 3.87Å; K242-F278 HydrophobicContact CG-CE2 4.4Å; K242-F278 HydrophobicContact CG-CG 4.45Å; K242-F278 HydrophobicContact CG-CZ 4.03Å
243S98.6Very high98.6Very high20 Ų2037.2 Ų37.214%0.1419%0.186CC..  trans-75157.1173.580.70000111.3A245 Q246 I247 E271S243-A245 PolarHBondContact O-N 3.2Å; S243-A245 PolarHBondContact OG-N 3.16Å; S243-Q246 WeakPolarHBondContact O-CB 3.33Å; S243-Q246 PolarHBondContact O-N 3.43Å; S243-Q246 PolarHBondContact OG-N 3.42Å; S243-I247 PolarHBondContact O-N 3.36Å; S243-I247 VanDerWaalsContact O-N 3.13Å; S243-E271 WeakPolarHBondContact CB-OE1 3.17Å; S243-E271 VanDerWaalsContact OG-CD 3.26Å; S243-E271 PolarHBondContact OG-OE1 3.24Å
244P98.6Very high98.6Very high33 Ų3339.2 Ų39.221%0.21420%0.195CC..Hα-helixtrans-54.6-33.8172.3-2938000113.1L228 V233 L234 A237 I247 I248L228-P244 HydrophobicContact CD2-CB 4.06Å; L228-P244 WeakPolarHBondContact O-CB 3.36Å; V233-P244 HydrophobicContact CG1-CB 3.79Å; L234-P244 HydrophobicContact CD2-CG 3.74Å; A237-P244 HydrophobicContact CB-CG 4.16Å; P244-I247 PolarHBondContact O-N 3.06Å; P244-I248 WeakPolarHBondContact O-CD1 3.14Å; P244-I248 WeakPolarHBondContact O-CG1 3.12Å; P244-I248 PolarHBondContact O-N 3.5Å
245A98.6Very high98.6Very high10 Ų1037.7 Ų37.78%0.08319%0.185CC..Hα-helixtrans-64.7-45.6175.700000111.5L212 L228 S243 I247 I248 L249L212-A245 HydrophobicContact CD1-CB 4Å; L212-A245 HydrophobicContact CD2-CB 3.84Å; L228-A245 HydrophobicContact CD2-CB 4.14Å; S243-A245 PolarHBondContact O-N 3.2Å; S243-A245 PolarHBondContact OG-N 3.16Å; A245-I247 VanDerWaalsContact C-N 3.31Å; A245-I247 PolarHBondContact O-N 2.89Å; A245-I248 PolarHBondContact O-N 2.9Å; A245-L249 WeakPolarHBondContact O-CB 3.35Å; A245-L249 WeakPolarHBondContact O-CG 3.48Å; A245-L249 PolarHBondContact O-N 2.86Å
246Q98.8Very high98.5Very high8 Ų836 Ų364%0.03718%0.18CC..Hα-helixtrans-61.4-37.7177.1-72.9173.1-41.500112.4K242 S243 R250 E271 Q274 V275 F278K242-Q246 HydrophobicContact CB-CB 4.03Å; K242-Q246 HydrophobicContact CD-CB 4.43Å; S243-Q246 WeakPolarHBondContact O-CB 3.33Å; S243-Q246 PolarHBondContact O-N 3.43Å; S243-Q246 PolarHBondContact OG-N 3.42Å; Q246-R250 WeakPolarHBondContact O-CB 3.46Å; Q246-R250 PolarHBondContact O-N 2.93Å; Q246-E271 VanDerWaalsContact CD-CG 3.47Å; Q246-E271 HydrophobicContact CG-CG 3.87Å; Q246-E271 VanDerWaalsContact NE2-CG 3.32Å; Q246-E271 PolarHBondContact NE2-O 3.18Å; Q246-Q274 PolarHBondContact NE2-O 3Å; Q246-V275 HydrophobicContact CB-CG1 4.15Å; Q246-V275 HydrophobicContact CG-CG1 4.16Å; Q246-F278 HydrophobicContact CB-CE1 4.5Å; Q246-F278 HydrophobicContact CB-CZ 4.45Å
247I98.8Very high98.5Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-60.7-48.3175-61.3-55.8000111.1V233 L236 A237 Y240 K242 S243 P244 A245 R250 W251 F278 L280 I288V233-I247 HydrophobicContact CG1-CB 4.15Å; V233-I247 HydrophobicContact CG1-CG2 4.16Å; L236-I247 HydrophobicContact CB-CD1 4.12Å; L236-I247 HydrophobicContact CB-CG1 4.24Å; L236-I247 HydrophobicContact CB-CG2 3.95Å; L236-I247 HydrophobicContact CD1-CG2 4.14Å; A237-I247 HydrophobicContact CB-CG1 4Å; Y240-I247 HydrophobicContact CD2-CD1 4.24Å; Y240-I247 HydrophobicContact CG-CD1 4.49Å; K242-I247 HydrophobicContact CB-CD1 4.13Å; S243-I247 PolarHBondContact O-N 3.36Å; S243-I247 VanDerWaalsContact O-N 3.13Å; P244-I247 PolarHBondContact O-N 3.06Å; A245-I247 VanDerWaalsContact C-N 3.31Å; A245-I247 PolarHBondContact O-N 2.89Å; I247-R250 PolarHBondContact O-N 2.89Å; I247-W251 PolarHBondContact O-N 3.2Å; I247-F278 HydrophobicContact CD1-CE2 3.89Å; I247-F278 HydrophobicContact CD1-CZ 4.19Å; I247-L280 HydrophobicContact CD1-CD2 4.42Å; I247-I288 HydrophobicContact CG2-CD1 3.68Å
248I98.8Very high98.5Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-66.1-43.6-179.2-64.6160.6000111.3P188 P211 L212 L227 L228 V233 P244 A245 W251 Q252P188-I248 HydrophobicContact CG-CG1 4.3Å; P188-I248 HydrophobicContact CG-CG2 4.18Å; P211-I248 WeakPolarHBondContact O-CG2 3.39Å; L212-I248 HydrophobicContact CD2-CB 4.28Å; L212-I248 HydrophobicContact CD2-CD1 4.49Å; L212-I248 HydrophobicContact CD2-CG2 4.33Å; L227-I248 HydrophobicContact CD1-CD1 4.4Å; L227-I248 HydrophobicContact CD2-CD1 3.96Å; L227-I248 HydrophobicContact CG-CD1 3.76Å; L228-I248 HydrophobicContact CD2-CD1 3.82Å; V233-I248 HydrophobicContact CG1-CD1 4.21Å; V233-I248 HydrophobicContact CG1-CG1 4.04Å; V233-I248 HydrophobicContact CG2-CG1 4.32Å; P244-I248 WeakPolarHBondContact O-CD1 3.14Å; P244-I248 WeakPolarHBondContact O-CG1 3.12Å; P244-I248 PolarHBondContact O-N 3.5Å; A245-I248 PolarHBondContact O-N 2.9Å; I248-W251 WeakPolarHBondContact O-CB 3.1Å; I248-W251 PolarHBondContact O-N 3.21Å; I248-Q252 PolarHBondContact O-N 3.43Å; I248-Q252 VanDerWaalsContact O-N 3.09Å
249L98.8Very high98.5Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-65.2-41177.9-67174000111.1I16 P211 L212 A245 W251 Q252 T253 T259 P261 N272 V275I16-L249 HydrophobicContact CD1-CB 4.47Å; P211-L249 HydrophobicContact CB-CD2 4.06Å; P211-L249 HydrophobicContact CG-CD2 4.02Å; L212-L249 HydrophobicContact CD2-CD2 4.14Å; L212-L249 HydrophobicContact CD2-CG 4.02Å; A245-L249 WeakPolarHBondContact O-CB 3.35Å; A245-L249 WeakPolarHBondContact O-CG 3.48Å; A245-L249 PolarHBondContact O-N 2.86Å; L249-W251 VanDerWaalsContact C-N 3.34Å; L249-W251 PolarHBondContact O-N 3.09Å; L249-Q252 PolarHBondContact O-N 2.74Å; L249-T253 WeakPolarHBondContact O-CG2 3.49Å; L249-T253 PolarHBondContact O-N 3.01Å; L249-T253 PolarHBondContact O-OG1 2.73Å; L249-T259 HydrophobicContact CD2-CG2 3.65Å; L249-T259 WeakPolarHBondContact CD2-OG1 3.28Å; L249-P261 HydrophobicContact CD1-CB 4.36Å; L249-P261 HydrophobicContact CD1-CG 3.97Å; L249-P261 HydrophobicContact CD2-CB 4.02Å; L249-P261 HydrophobicContact CD2-CG 3.79Å; L249-N272 HydrophobicContact CD1-CB 3.73Å; L249-V275 HydrophobicContact CB-CG1 3.86Å
250R98.8Very high98.5Very high3 Ų322.7 Ų22.71%0.01112%0.118CC..Hα-helixtrans-61.4-42.4173.9176.865.8-158.9-166.6-11.1112Q246 I247 Q252 T253 Q254 V275 F278 T279 L280Q246-R250 WeakPolarHBondContact O-CB 3.46Å; Q246-R250 PolarHBondContact O-N 2.93Å; I247-R250 PolarHBondContact O-N 2.89Å; R250-Q252 VanDerWaalsContact C-N 3.29Å; R250-Q252 PolarHBondContact O-N 2.58Å; R250-T253 PolarHBondContact O-N 2.86Å; R250-T253 PolarHBondContact O-OG1 3.04Å; R250-Q254 WeakPolarHBondContact O-CB 3.17Å; R250-Q254 PolarHBondContact O-N 3.12Å; R250-V275 HydrophobicContact CB-CB 4.38Å; R250-V275 WeakPolarHBondContact CD-O 3.21Å; R250-V275 PolarHBondContact NH1-O 3.21Å; R250-F278 HydrophobicContact CB-CE1 4.06Å; R250-F278 HydrophobicContact CB-CE2 3.81Å; R250-F278 HydrophobicContact CB-CZ 3.38Å; R250-F278 HydrophobicContact CG-CD2 4.2Å; R250-F278 HydrophobicContact CG-CE1 4.26Å; R250-F278 HydrophobicContact CG-CE2 3.61Å; R250-F278 HydrophobicContact CG-CZ 3.65Å; R250-F278 PolarHBondContact NE-O 3.21Å; R250-F278 PolarHBondContact NH1-O 2.78Å; R250-F278 PolarHBondContact NH2-O 3.33Å; R250-T279 PolarHBondContact NH2-OG1 3.36Å; R250-L280 HydrophobicContact CB-CD1 4.42Å; R250-L280 HydrophobicContact CG-CD1 4.03Å; R250-L280 HydrophobicContact CG-CG 3.87Å
251W98.8Very high98.5Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-58.2-42.3175.1169.182.9000111.4P188 A191 I247 I248 L249 R255 L280 M285 I288 T289P188-W251 HydrophobicContact CG-CE3 4.05Å; P188-W251 HydrophobicContact CG-CZ3 4.06Å; A191-W251 HydrophobicContact CB-CH2 3.95Å; A191-W251 HydrophobicContact CB-CZ2 4.04Å; I247-W251 PolarHBondContact O-N 3.2Å; I248-W251 WeakPolarHBondContact O-CB 3.1Å; I248-W251 PolarHBondContact O-N 3.21Å; L249-W251 VanDerWaalsContact C-N 3.34Å; L249-W251 PolarHBondContact O-N 3.09Å; W251-R255 VanDerWaalsContact O-CG 3.31Å; W251-R255 WeakPolarHBondContact O-CG 3.46Å; W251-R255 PolarHBondContact O-N 3.2Å; W251-L280 HydrophobicContact CB-CD1 4.03Å; W251-M285 HydrophobicContact CB-SD 4.42Å; W251-M285 HydrophobicContact CG-CE 4.37Å; W251-M285 HydrophobicContact CG-SD 4.44Å; W251-M285 WeakPolarHBondContact O-CE 3.49Å; W251-I288 HydrophobicContact CB-CD1 3.93Å; W251-I288 HydrophobicContact CB-CG2 4.12Å; W251-I288 HydrophobicContact CD2-CG2 3.71Å; W251-I288 HydrophobicContact CE3-CG2 4.4Å; W251-I288 HydrophobicContact CG-CB 4.12Å; W251-I288 HydrophobicContact CG-CD1 4.25Å; W251-I288 HydrophobicContact CG-CG2 3.54Å; W251-T289 PolarHBondContact NE1-OG1 3.5Å
252Q98.8Very high98.4Very high0 Ų014.5 Ų14.50%08%0.083CC..Hα-helixtrans-64.5-51.3174.7-68-68.624.200112.8S186 A208 I248 L249 R250 Q254 R255 G256 V257 T259S186-Q252 PolarHBondContact O-NE2 3.45Å; S186-Q252 PolarHBondContact OG-NE2 3.11Å; A208-Q252 HydrophobicContact CB-CG 4.48Å; I248-Q252 PolarHBondContact O-N 3.43Å; I248-Q252 VanDerWaalsContact O-N 3.09Å; L249-Q252 PolarHBondContact O-N 2.74Å; R250-Q252 VanDerWaalsContact C-N 3.29Å; R250-Q252 PolarHBondContact O-N 2.58Å; Q252-Q254 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.33Å; Q252-R255 CarbonylContact O-C 3.47Å; Q252-R255 WeakPolarHBondContact O-CG 3.43Å; Q252-R255 PolarHBondContact O-N 2.88Å; Q252-G256 PolarHBondContact O-N 2.81Å; Q252-V257 CarbonylContact C-O 3.58Å; Q252-V257 HydrophobicContact CB-CB 4.36Å; Q252-V257 HydrophobicContact CB-CG1 4.46Å; Q252-V257 WeakPolarHBondContact O-CB 3.36Å; Q252-V257 PolarHBondContact O-N 3.17Å; Q252-T259 HydrophobicContact CB-CG2 4.34Å
253T98.5Very high98.3Very high5 Ų513.1 Ų13.13%0.0318%0.078CC..Hα-helixtrans-66.4-35-175.959.50000112L15 I16 L249 R250 R255 G256 T259 V275 F276L15-T253 HydrophobicContact CB-CG2 3.94Å; I16-T253 HydrophobicContact CD1-CG2 3.8Å; I16-T253 HydrophobicContact CG1-CG2 4.04Å; L249-T253 WeakPolarHBondContact O-CG2 3.49Å; L249-T253 PolarHBondContact O-N 3.01Å; L249-T253 PolarHBondContact O-OG1 2.73Å; R250-T253 PolarHBondContact O-N 2.86Å; R250-T253 PolarHBondContact O-OG1 3.04Å; T253-R255 VanDerWaalsContact C-N 3.3Å; T253-R255 PolarHBondContact O-N 3.41Å; T253-G256 WeakPolarHBondContact O-CA 3.18Å; T253-G256 PolarHBondContact O-N 3.1Å; T253-T259 HydrophobicContact CG2-CG2 4.04Å; T253-V275 HydrophobicContact CG2-CG2 4.29Å; T253-F276 HydrophobicContact CG2-CE1 4.27Å; T253-F276 HydrophobicContact CG2-CZ 4.32Å
254Q98.3Very high98.2Very high42 Ų4214.1 Ų14.120%0.1968%0.083CC..Hα-helixtrans-70.2-24.2178.2-172.5163.5-50.200113.3M1 R250 Q252 G256 L280 M285M1-Q254 HydrophobicContact CE-CG 3.96Å; M1-Q254 HydrophobicContact SD-CB 4.34Å; M1-Q254 HydrophobicContact SD-CG 3.99Å; R250-Q254 WeakPolarHBondContact O-CB 3.17Å; R250-Q254 PolarHBondContact O-N 3.12Å; Q252-Q254 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.33Å; Q254-G256 VanDerWaalsContact C-N 3.27Å; Q254-L280 PolarHBondContact NE2-O 3.07Å; Q254-L280 VanDerWaalsContact OE1-N 3.12Å; Q254-M285 HydrophobicContact CB-CE 3.95Å; Q254-M285 HydrophobicContact CB-SD 4.05Å; Q254-M285 HydrophobicContact CG-CE 4.04Å; Q254-M285 HydrophobicContact CG-SD 4.03Å; Q254-M285 VanDerWaalsContact NE2-CG 3.29Å
255R97.1Very high98.2Very high32 Ų3214.9 Ų14.912%0.1219%0.087CC..THydrogen-bonded Turntrans-89.916.116768.2-176.1-71.1-161.21112.6A191 L196 R200 W251 Q252 T253 V257 M285A191-R255 PolarHBondContact O-NH1 3.4Å; A191-R255 PolarHBondContact O-NH2 3.38Å; L196-R255 VanDerWaalsContact CD2-CZ 3.48Å; R200-R255 PolarHBondContact NH2-O 3.02Å; W251-R255 VanDerWaalsContact O-CG 3.31Å; W251-R255 WeakPolarHBondContact O-CG 3.46Å; W251-R255 PolarHBondContact O-N 3.2Å; Q252-R255 CarbonylContact O-C 3.47Å; Q252-R255 WeakPolarHBondContact O-CG 3.43Å; Q252-R255 PolarHBondContact O-N 2.88Å; T253-R255 VanDerWaalsContact C-N 3.3Å; T253-R255 PolarHBondContact O-N 3.41Å; R255-V257 HydrophobicContact CG-CB 4.15Å; R255-V257 HydrophobicContact CG-CG2 3.78Å; R255-V257 PolarHBondContact O-N 3.45Å; R255-M285 HydrophobicContact CB-CE 4.29Å
256G96.9Very high98.1Very high40 Ų4017.7 Ų17.741%0.41210%0.099SC..THydrogen-bonded Turntrans65.123.2177.100000114.3Q252 T253 Q254Q252-G256 PolarHBondContact O-N 2.81Å; T253-G256 WeakPolarHBondContact O-CA 3.18Å; T253-G256 PolarHBondContact O-N 3.1Å; Q254-G256 VanDerWaalsContact C-N 3.27Å
257V98.6Very high98.1Very high1 Ų121.3 Ų21.31%0.00612%0.124CC..  trans-93.7122.4174.1171.90000107.9L196 V206 A208 Q252 R255L196-V257 HydrophobicContact CD1-CG2 3.83Å; L196-V257 HydrophobicContact CD2-CG2 3.75Å; L196-V257 HydrophobicContact CG-CG2 4.47Å; V206-V257 HydrophobicContact CB-CG2 4.42Å; V206-V257 HydrophobicContact CG1-CG1 4.21Å; A208-V257 HydrophobicContact CB-CG1 3.7Å; Q252-V257 CarbonylContact C-O 3.58Å; Q252-V257 HydrophobicContact CB-CB 4.36Å; Q252-V257 HydrophobicContact CB-CG1 4.46Å; Q252-V257 WeakPolarHBondContact O-CB 3.36Å; Q252-V257 PolarHBondContact O-N 3.17Å; R255-V257 HydrophobicContact CG-CB 4.15Å; R255-V257 HydrophobicContact CG-CG2 3.78Å; R255-V257 PolarHBondContact O-N 3.45Å
258V98.8Very high98.1Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-65141.1170.9178.10000107.7A5 M13 P14 L15 V205 V206 T207 A208A5-V258 HydrophobicContact CB-CG2 4.03Å; M13-V258 HydrophobicContact CE-CG1 4.07Å; M13-V258 HydrophobicContact CG-CG2 4.25Å; M13-V258 HydrophobicContact SD-CG2 4.08Å; P14-V258 VanDerWaalsContact O-CG1 3.31Å; P14-V258 WeakPolarHBondContact O-CG1 3.47Å; L15-V258 HydrophobicContact CD2-CG2 3.98Å; L15-V258 CarbonylContact O-C 3.38Å; L15-V258 WeakPolarHBondContact O-CA 3.44Å; V205-V258 HydrophobicContact CG1-CG2 3.63Å; V206-V258 PolarHBondContact O-N 3.01Å; T207-V258 CarbonylContact C-O 3.49Å; T207-V258 VanDerWaalsContact CA-O 3.24Å; T207-V258 WeakPolarHBondContact CA-O 3.24Å; T207-V258 HydrophobicContact CG2-CB 4.33Å; T207-V258 HydrophobicContact CG2-CG1 4.1Å; A208-V258 PolarHBondContact N-O 3.38Å
259T98.4Very high98.1Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-135.4137.6-176.8-174.30000110.9L15 I16 G17 P211 L249 Q252 T253 P261L15-T259 PolarHBondContact O-N 3.43Å; I16-T259 WeakPolarHBondContact CA-O 3.41Å; I16-T259 HydrophobicContact CD1-CG2 3.25Å; I16-T259 HydrophobicContact CG1-CG2 4.43Å; G17-T259 PolarHBondContact N-O 2.89Å; P211-T259 WeakPolarHBondContact CB-OG1 3.46Å; P211-T259 WeakPolarHBondContact CG-OG1 3.29Å; L249-T259 HydrophobicContact CD2-CG2 3.65Å; L249-T259 WeakPolarHBondContact CD2-OG1 3.28Å; Q252-T259 HydrophobicContact CB-CG2 4.34Å; T253-T259 HydrophobicContact CG2-CG2 4.04Å; T259-P261 WeakPolarHBondContact O-CD 3.42Å
260I98.8Very high98Very high8 Ų831.9 Ų31.94%0.04117%0.167CC..  trans-122.863.5-170.949.9166000111.7G17 D44 Q183 T207 A208 K262G17-I260 VanDerWaalsContact O-CA 3.32Å; G17-I260 WeakPolarHBondContact O-CA 3.36Å; D44-I260 HydrophobicContact CB-CB 4.25Å; D44-I260 HydrophobicContact CB-CD1 3.82Å; D44-I260 HydrophobicContact CB-CG2 3.98Å; D44-I260 VanDerWaalsContact CG-CD1 3.4Å; Q183-I260 HydrophobicContact CG-CD1 4.39Å; T207-I260 HydrophobicContact CG2-CD1 3.97Å; T207-I260 HydrophobicContact CG2-CG1 3.89Å; T207-I260 HydrophobicContact CG2-CG2 3.98Å; A208-I260 VanDerWaalsContact O-CG1 3.27Å; A208-I260 WeakPolarHBondContact O-CG1 3.41Å; A208-I260 PolarHBondContact O-N 3.33Å; I260-K262 PolarHBondContact O-N 3.11Å
261P98.2Very high98Very high2 Ų234.9 Ų34.91%0.01318%0.181CC..  trans-62129.8178.127.6-35.3000110.9G17 G19 P211 L212 L249 T259 N272G17-P261 WeakPolarHBondContact O-CD 3.42Å; G19-P261 PolarHBondContact N-O 2.96Å; P211-P261 HydrophobicContact CG-CB 4.06Å; L212-P261 HydrophobicContact CD1-CB 4.08Å; L212-P261 HydrophobicContact CG-CB 4.41Å; L249-P261 HydrophobicContact CD1-CB 4.36Å; L249-P261 HydrophobicContact CD1-CG 3.97Å; L249-P261 HydrophobicContact CD2-CB 4.02Å; L249-P261 HydrophobicContact CD2-CG 3.79Å; T259-P261 WeakPolarHBondContact O-CD 3.42Å; P261-N272 HydrophobicContact CG-CB 4.09Å
262K97.4Very high98Very high66 Ų6635.1 Ų35.129%0.28718%0.182SC..BIsolated β-bridgetrans-86.1134.9173.5179.6-101.1-175.1167.70111G19 W21 K22 S23 I260G19-K262 VanDerWaalsContact O-CA 3.32Å; G19-K262 WeakPolarHBondContact O-CA 3.44Å; G19-K262 VanDerWaalsContact O-CB 3.27Å; G19-K262 WeakPolarHBondContact O-CB 3.42Å; G19-K262 WeakPolarHBondContact O-CG 3.11Å; W21-K262 WeakPolarHBondContact O-CD 3.34Å; W21-K262 WeakPolarHBondContact O-CE 3.35Å; W21-K262 WeakPolarHBondContact O-CG 3.34Å; K22-K262 PolarHBondContact O-NZ 3.09Å; S23-K262 WeakPolarHBondContact OG-CE 3.41Å; I260-K262 PolarHBondContact O-N 3.11Å
263S96.8Very high98Very high6 Ų636.8 Ų36.84%0.04219%0.191CC..  trans-153.3148.7167.2-179.40000110.1T265 R268S263-T265 PolarHBondContact OG-N 3.48Å; S263-T265 PolarHBondContact OG-O 2.7Å; S263-R268 WeakPolarHBondContact OG-CB 3.39Å
264V96.5Very high97.9Very high40 Ų4041.6 Ų41.624%0.24221%0.213CC..  trans-11510.8165.9-62.80000111.3S23 K27 A31 W34S23-V264 WeakPolarHBondContact OG-CG1 3.47Å; K27-V264 HydrophobicContact CB-CB 4.46Å; K27-V264 HydrophobicContact CB-CG1 4.28Å; A31-V264 HydrophobicContact CB-CB 4.37Å; A31-V264 HydrophobicContact CB-CG1 4.13Å; W34-V264 WeakPolarHBondContact CZ3-O 3.46Å
265T97.3Very high97.9Very high50 Ų5039.6 Ų39.631%0.30720%0.204SC..  trans-104.3116.9177.6-560000108.4S263 S267 R268 I269S263-T265 PolarHBondContact OG-N 3.48Å; S263-T265 PolarHBondContact OG-O 2.7Å; T265-S267 VanDerWaalsContact C-N 3.34Å; T265-S267 PolarHBondContact O-N 2.9Å; T265-R268 HydrophobicContact CG2-CG 4.34Å; T265-R268 PolarHBondContact O-N 3.18Å; T265-R268 VanDerWaalsContact O-N 3.09Å; T265-R268 PolarHBondContact OG1-NE 3.47Å; T265-R268 PolarHBondContact OG1-NH2 3.29Å; T265-I269 WeakPolarHBondContact O-CG1 3.49Å; T265-I269 PolarHBondContact O-N 2.91Å
266E97.8Very high98Very high69 Ų6941.3 Ų41.332%0.32221%0.212SC..Hα-helixtrans-51-48.6-174.3-171.7-176.9176.300113.2W34 R268 I269 K270W34-E266 HydrophobicContact CB-CG 4.27Å; W34-E266 HydrophobicContact CD2-CB 3.72Å; W34-E266 HydrophobicContact CD2-CG 3.73Å; W34-E266 HydrophobicContact CE3-CB 3.7Å; W34-E266 HydrophobicContact CE3-CG 4.21Å; W34-E266 HydrophobicContact CG-CB 4.28Å; W34-E266 HydrophobicContact CG-CG 3.78Å; W34-E266 HydrophobicContact CH2-CB 4.21Å; W34-E266 HydrophobicContact CZ2-CB 4.21Å; W34-E266 HydrophobicContact CZ3-CB 3.96Å; E266-R268 VanDerWaalsContact C-N 3.35Å; E266-R268 PolarHBondContact O-N 3.35Å; E266-I269 WeakPolarHBondContact O-CB 3.43Å; E266-I269 PolarHBondContact O-N 3.32Å; E266-I269 VanDerWaalsContact O-N 3.16Å; E266-K270 HydrophobicContact CG-CD 4.39Å; E266-K270 PolarHBondContact O-N 2.86Å; E266-K270 VanDerWaalsContact OE1-CE 3.28Å; E266-K270 WeakPolarHBondContact OE1-CE 3.35Å; E266-K270 IonicContact OE1-NZ 3.38Å; E266-K270 PolarHBondContact OE1-NZ 2.91Å
267S98.4Very high98Very high83 Ų8344.8 Ų44.858%0.5822%0.221SC*.Hα-helixtrans-59.2-43.8179.757.30000112.4T265 K270 E271T265-S267 VanDerWaalsContact C-N 3.34Å; T265-S267 PolarHBondContact O-N 2.9Å; S267-K270 PolarHBondContact O-N 3.44Å; S267-E271 VanDerWaalsContact O-CB 3.28Å; S267-E271 WeakPolarHBondContact O-CB 3.32Å; S267-E271 PolarHBondContact O-N 3.13Å
268R98.1Very high97.9Very high136 Ų13645.6 Ų45.651%0.51323%0.225SC..Hα-helixtrans-68.1-35.7176.5-68.4-170.5-71-160.9-3.8112.5S263 T265 E266 E271 N272S263-R268 WeakPolarHBondContact OG-CB 3.39Å; T265-R268 HydrophobicContact CG2-CG 4.34Å; T265-R268 PolarHBondContact O-N 3.18Å; T265-R268 VanDerWaalsContact O-N 3.09Å; T265-R268 PolarHBondContact OG1-NE 3.47Å; T265-R268 PolarHBondContact OG1-NH2 3.29Å; E266-R268 VanDerWaalsContact C-N 3.35Å; E266-R268 PolarHBondContact O-N 3.35Å; R268-E271 PolarHBondContact O-N 2.91Å; R268-N272 VanDerWaalsContact O-CB 3.26Å; R268-N272 WeakPolarHBondContact O-CB 3.42Å; R268-N272 PolarHBondContact O-N 3.15Å; R268-N272 PolarHBondContact O-ND2 3.15Å
269I98.5Very high97.9Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-60.3-50.4175.1-69.3168.1000109.4L18 A31 W34 A35 Y40 T265 E266 N272L18-I269 HydrophobicContact CD1-CG1 4.29Å; A31-I269 HydrophobicContact CB-CD1 3.97Å; W34-I269 HydrophobicContact CB-CD1 4.36Å; W34-I269 HydrophobicContact CE3-CD1 4.13Å; A35-I269 HydrophobicContact CB-CG2 3.72Å; Y40-I269 HydrophobicContact CD2-CG2 4.37Å; Y40-I269 HydrophobicContact CE2-CG2 3.78Å; Y40-I269 VanDerWaalsContact CE2-O 3.24Å; Y40-I269 WeakPolarHBondContact CE2-O 3.27Å; Y40-I269 PolarHBondContact OH-O 3.24Å; T265-I269 WeakPolarHBondContact O-CG1 3.49Å; T265-I269 PolarHBondContact O-N 2.91Å; E266-I269 WeakPolarHBondContact O-CB 3.43Å; E266-I269 PolarHBondContact O-N 3.32Å; E266-I269 VanDerWaalsContact O-N 3.16Å; I269-N272 PolarHBondContact O-N 2.96Å
270K98.4Very high97.9Very high87 Ų8749.5 Ų49.538%0.37825%0.248SC..Hα-helixtrans-62-47177.3-68.1177.5-175.5174.90111.7A38 E266 S267 N272 L273A38-K270 HydrophobicContact CB-CG 3.84Å; E266-K270 HydrophobicContact CG-CD 4.39Å; E266-K270 PolarHBondContact O-N 2.86Å; E266-K270 VanDerWaalsContact OE1-CE 3.28Å; E266-K270 WeakPolarHBondContact OE1-CE 3.35Å; E266-K270 IonicContact OE1-NZ 3.38Å; E266-K270 PolarHBondContact OE1-NZ 2.91Å; S267-K270 PolarHBondContact O-N 3.44Å; K270-N272 PolarHBondContact O-N 2.83Å; K270-L273 PolarHBondContact O-N 3.37Å
271E98.3Very high97.9Very high65 Ų6554.2 Ų54.230%0.30427%0.27SS..Hα-helixtrans-59.4-43.9179.9-174.3-173.990.800112.4S243 Q246 S267 R268 L273 Q274S243-E271 WeakPolarHBondContact CB-OE1 3.17Å; S243-E271 VanDerWaalsContact OG-CD 3.26Å; S243-E271 PolarHBondContact OG-OE1 3.24Å; Q246-E271 VanDerWaalsContact CD-CG 3.47Å; Q246-E271 HydrophobicContact CG-CG 3.87Å; Q246-E271 VanDerWaalsContact NE2-CG 3.32Å; Q246-E271 PolarHBondContact NE2-O 3.18Å; S267-E271 VanDerWaalsContact O-CB 3.28Å; S267-E271 WeakPolarHBondContact O-CB 3.32Å; S267-E271 PolarHBondContact O-N 3.13Å; R268-E271 PolarHBondContact O-N 2.91Å; E271-L273 PolarHBondContact O-N 2.84Å; E271-L273 VanDerWaalsContact O-N 3.16Å; E271-Q274 PolarHBondContact O-N 3.36Å
272N98.5Very high97.9Very high5 Ų557.3 Ų57.33%0.02730%0.296CS..Hα-helixtrans-63.6-20.2-178-75.9-15.1000113.7Y40 L249 P261 R268 I269 K270Y40-N272 WeakPolarHBondContact OH-CB 3.39Å; L249-N272 HydrophobicContact CD1-CB 3.73Å; P261-N272 HydrophobicContact CG-CB 4.09Å; R268-N272 VanDerWaalsContact O-CB 3.26Å; R268-N272 WeakPolarHBondContact O-CB 3.42Å; R268-N272 PolarHBondContact O-N 3.15Å; R268-N272 PolarHBondContact O-ND2 3.15Å; I269-N272 PolarHBondContact O-N 2.96Å; K270-N272 PolarHBondContact O-N 2.83Å
273L97.7Very high98Very high35 Ų3559.9 Ų59.918%0.18331%0.309CS..Hα-helixtrans-84.1-20.5176.2-166.963.7000112.7I16 A38 Y40 K270 E271 V275I16-L273 HydrophobicContact CB-CD1 3.95Å; I16-L273 HydrophobicContact CG2-CD1 3.69Å; A38-L273 VanDerWaalsContact O-CD2 3.24Å; A38-L273 WeakPolarHBondContact O-CD2 3.33Å; Y40-L273 HydrophobicContact CD1-CD1 4.49Å; Y40-L273 HydrophobicContact CD2-CB 4.32Å; Y40-L273 HydrophobicContact CD2-CD1 4.11Å; Y40-L273 HydrophobicContact CD2-CD2 3.8Å; Y40-L273 HydrophobicContact CD2-CG 4.31Å; Y40-L273 HydrophobicContact CE1-CD1 4.46Å; Y40-L273 HydrophobicContact CE2-CB 3.66Å; Y40-L273 HydrophobicContact CE2-CD1 4.08Å; Y40-L273 HydrophobicContact CE2-CD2 3.99Å; Y40-L273 HydrophobicContact CE2-CG 4.13Å; Y40-L273 HydrophobicContact CG-CD1 4.32Å; K270-L273 PolarHBondContact O-N 3.37Å; E271-L273 PolarHBondContact O-N 2.84Å; E271-L273 VanDerWaalsContact O-N 3.16Å; L273-V275 PolarHBondContact O-N 3.35Å
274Q98Very high98.1Very high106 Ų10660.3 Ų60.350%0.49531%0.311SS..  trans-84.957.1-174.1-63.9172.9-6.200112.1K242 Q246 E271K242-Q274 PolarHBondContact NZ-O 3.37Å; Q246-Q274 PolarHBondContact NE2-O 3Å; E271-Q274 PolarHBondContact O-N 3.36Å
275V98.3Very high98.2Very high0 Ų059.7 Ų59.70%031%0.305CS..  trans-119.19.2-176.7-600000113.4I16 Q246 L249 R250 T253 L273 F278I16-V275 HydrophobicContact CD1-CG2 3.77Å; I16-V275 HydrophobicContact CG1-CG2 3.82Å; Q246-V275 HydrophobicContact CB-CG1 4.15Å; Q246-V275 HydrophobicContact CG-CG1 4.16Å; L249-V275 HydrophobicContact CB-CG1 3.86Å; R250-V275 HydrophobicContact CB-CB 4.38Å; R250-V275 WeakPolarHBondContact CD-O 3.21Å; R250-V275 PolarHBondContact NH1-O 3.21Å; T253-V275 HydrophobicContact CG2-CG2 4.29Å; L273-V275 PolarHBondContact O-N 3.35Å; V275-F278 HydrophobicContact CB-CE1 4.5Å
276F97.8Very high98.2Very high69 Ų6963.1 Ų63.130%0.30332%0.316SS..SBendtrans-108.3-6.7-178.6-58.5-70.1000113.4D3 L15 I16 T253D3-F276 HydrophobicContact CB-CD1 4.14Å; D3-F276 HydrophobicContact CB-CD2 4.29Å; D3-F276 HydrophobicContact CB-CE1 3.91Å; D3-F276 HydrophobicContact CB-CE2 4.07Å; D3-F276 HydrophobicContact CB-CG 4.32Å; D3-F276 HydrophobicContact CB-CZ 3.87Å; L15-F276 HydrophobicContact CB-CE1 4.25Å; L15-F276 HydrophobicContact CB-CZ 4.05Å; L15-F276 HydrophobicContact CD1-CE1 4.2Å; I16-F276 HydrophobicContact CB-CE2 4.49Å; I16-F276 HydrophobicContact CG1-CE2 3.8Å; I16-F276 HydrophobicContact CG1-CZ 3.68Å; T253-F276 HydrophobicContact CG2-CE1 4.27Å; T253-F276 HydrophobicContact CG2-CZ 4.32Å
277D96.8Very high98.2Very high112 Ų11262.2 Ų62.260%0.59932%0.317SS*.SBendtrans-94.21.5-178.166.8-33.2000114K242K242-D277 IonicContact NZ-OD1 3.67Å; K242-D277 PolarHBondContact NZ-OD1 3.01Å; K242-D277 IonicContact NZ-OD2 3.92Å; K242-D277 PolarHBondContact NZ-OD2 3.17Å
278F98.1Very high98.2Very high19 Ų1958.2 Ų58.28%0.08329%0.289CS..  trans-141.2165.9172.374.3-75.6000110.9Y240 K242 Q246 I247 R250 V275 L280Y240-F278 HydrophobicContact CD1-CB 4.16Å; Y240-F278 AromaticContact CD1-CD2 3.57Å; Y240-F278 HydrophobicContact CD1-CD2 3.57Å; Y240-F278 HydrophobicContact CD1-CE2 4.38Å; Y240-F278 HydrophobicContact CD1-CG 4.25Å; Y240-F278 HydrophobicContact CE1-CD2 4.04Å; Y240-F278 AromaticContact CG-CD2 3.88Å; Y240-F278 HydrophobicContact CG-CD2 3.88Å; Y240-F278 HydrophobicContact CG-CE2 4.25Å; K242-F278 HydrophobicContact CB-CZ 4.46Å; K242-F278 HydrophobicContact CD-CD1 4.08Å; K242-F278 HydrophobicContact CD-CE1 3.91Å; K242-F278 HydrophobicContact CG-CD1 4.1Å; K242-F278 HydrophobicContact CG-CE1 3.87Å; K242-F278 HydrophobicContact CG-CE2 4.4Å; K242-F278 HydrophobicContact CG-CG 4.45Å; K242-F278 HydrophobicContact CG-CZ 4.03Å; Q246-F278 HydrophobicContact CB-CE1 4.5Å; Q246-F278 HydrophobicContact CB-CZ 4.45Å; I247-F278 HydrophobicContact CD1-CE2 3.89Å; I247-F278 HydrophobicContact CD1-CZ 4.19Å; R250-F278 HydrophobicContact CB-CE1 4.06Å; R250-F278 HydrophobicContact CB-CE2 3.81Å; R250-F278 HydrophobicContact CB-CZ 3.38Å; R250-F278 HydrophobicContact CG-CD2 4.2Å; R250-F278 HydrophobicContact CG-CE1 4.26Å; R250-F278 HydrophobicContact CG-CE2 3.61Å; R250-F278 HydrophobicContact CG-CZ 3.65Å; R250-F278 PolarHBondContact NE-O 3.21Å; R250-F278 PolarHBondContact NH1-O 2.78Å; R250-F278 PolarHBondContact NH2-O 3.33Å; V275-F278 HydrophobicContact CB-CE1 4.5Å; F278-L280 HydrophobicContact CE2-CD2 4.06Å; F278-L280 HydrophobicContact CE2-CG 4.41Å
279T98.3Very high98.2Very high78 Ų7854 Ų5448%0.47928%0.279SS..  trans-137132-179.8-62.70000109.2M1 Y240 R250M1-T279 HydrophobicContact CE-CG2 4.16Å; Y240-T279 WeakPolarHBondContact CE1-O 3.3Å; Y240-T279 PolarHBondContact OH-O 3.44Å; R250-T279 PolarHBondContact NH2-OG1 3.36Å
280L98.5Very high98.2Very high3 Ų357.9 Ų57.92%0.01631%0.311CS..  trans-78138.5173.1-63.7174.6000109Y240 I247 R250 W251 Q254 F278 E284 M285 I288Y240-L280 HydrophobicContact CD2-CD2 4Å; Y240-L280 HydrophobicContact CE2-CD2 3.63Å; I247-L280 HydrophobicContact CD1-CD2 4.42Å; R250-L280 HydrophobicContact CB-CD1 4.42Å; R250-L280 HydrophobicContact CG-CD1 4.03Å; R250-L280 HydrophobicContact CG-CG 3.87Å; W251-L280 HydrophobicContact CB-CD1 4.03Å; Q254-L280 PolarHBondContact NE2-O 3.07Å; Q254-L280 VanDerWaalsContact OE1-N 3.12Å; F278-L280 HydrophobicContact CE2-CD2 4.06Å; F278-L280 HydrophobicContact CE2-CG 4.41Å; L280-E284 WeakPolarHBondContact CA-OE2 3.17Å; L280-E284 HydrophobicContact CB-CB 4.38Å; L280-M285 HydrophobicContact CB-CG 3.97Å; L280-M285 HydrophobicContact CB-SD 3.86Å; L280-M285 HydrophobicContact CD1-SD 3.78Å; L280-M285 HydrophobicContact CG-SD 4.43Å; L280-I288 HydrophobicContact CD1-CD1 3.73Å
281E98.5Very high98.2Very high107 Ų10755.1 Ų55.150%0.530%0.3SS..  trans-67.3160.9174.8-65171-15300111.1K239 E283 E284 M285K239-E281 IonicContact NZ-OE1 2.91Å; K239-E281 PolarHBondContact NZ-OE1 3.21Å; K239-E281 IonicContact NZ-OE2 2.88Å; E281-E283 VanDerWaalsContact C-N 3.29Å; E281-E283 PolarHBondContact O-N 3.12Å; E281-E284 HydrophobicContact CB-CG 4.05Å; E281-E284 PolarHBondContact N-OE2 2.98Å; E281-E284 PolarHBondContact O-N 3.46Å; E281-E284 VanDerWaalsContact O-N 3.11Å; E281-M285 WeakPolarHBondContact O-CG 3.27Å; E281-M285 PolarHBondContact O-N 2.95Å
282A98.4Very high98.2Very high68 Ų6855.2 Ų55.256%0.56230%0.303SS*.Hα-helixtrans-58.7-40.1-177.300000112.5M285 K286A282-M285 PolarHBondContact O-N 3.37Å; A282-K286 WeakPolarHBondContact O-CG 3.29Å; A282-K286 PolarHBondContact O-N 3.12Å; A282-K286 VanDerWaalsContact O-N 3.09Å
283E98.4Very high98.1Very high120 Ų12061 Ų6156%0.56132%0.324SS*.Hα-helixtrans-71.1-30178-64.7-51.4128.300112.8E281 K286 S287E281-E283 VanDerWaalsContact C-N 3.29Å; E281-E283 PolarHBondContact O-N 3.12Å; E283-K286 WeakPolarHBondContact O-CB 3.42Å; E283-K286 PolarHBondContact O-N 2.64Å; E283-K286 IonicContact OE1-NZ 2.7Å; E283-K286 PolarHBondContact OE1-NZ 3.47Å; E283-K286 IonicContact OE2-NZ 3.72Å; E283-S287 PolarHBondContact O-N 2.96Å
284E98.7Very high98Very high15 Ų1561.9 Ų61.97%0.0734%0.341CS..Hα-helixtrans-75-37.1175.8-57.8173.7148.300111.6L236 K239 Y240 L280 E281 K286 S287 I288L236-E284 HydrophobicContact CD1-CB 4.18Å; L236-E284 HydrophobicContact CD2-CB 4.04Å; L236-E284 HydrophobicContact CD2-CG 3.71Å; L236-E284 VanDerWaalsContact CD2-OE1 3.3Å; L236-E284 WeakPolarHBondContact CD2-OE1 3.49Å; K239-E284 VanDerWaalsContact CD-OE1 3.29Å; K239-E284 WeakPolarHBondContact CD-OE1 3.39Å; K239-E284 WeakPolarHBondContact CE-OE1 3.49Å; K239-E284 IonicContact NZ-OE1 2.76Å; K239-E284 PolarHBondContact NZ-OE1 3.34Å; Y240-E284 WeakPolarHBondContact CE2-OE2 3.46Å; Y240-E284 PolarHBondContact OH-OE2 3.12Å; L280-E284 WeakPolarHBondContact CA-OE2 3.17Å; L280-E284 HydrophobicContact CB-CB 4.38Å; E281-E284 HydrophobicContact CB-CG 4.05Å; E281-E284 PolarHBondContact N-OE2 2.98Å; E281-E284 PolarHBondContact O-N 3.46Å; E281-E284 VanDerWaalsContact O-N 3.11Å; E284-K286 VanDerWaalsContact C-N 3.26Å; E284-K286 PolarHBondContact O-N 3.47Å; E284-S287 PolarHBondContact O-N 3.39Å; E284-S287 PolarHBondContact O-OG 3.04Å; E284-I288 WeakPolarHBondContact O-CG1 3.29Å; E284-I288 PolarHBondContact O-N 2.85Å
285M98.6Very high97.8Very high27 Ų2761.3 Ų61.313%0.13334%0.335CS..Hα-helixtrans-59.5-41.4169.6-71.9-66.7-64.300111W251 Q254 R255 L280 E281 A282 T289W251-M285 HydrophobicContact CB-SD 4.42Å; W251-M285 HydrophobicContact CG-CE 4.37Å; W251-M285 HydrophobicContact CG-SD 4.44Å; W251-M285 WeakPolarHBondContact O-CE 3.49Å; Q254-M285 HydrophobicContact CB-CE 3.95Å; Q254-M285 HydrophobicContact CB-SD 4.05Å; Q254-M285 HydrophobicContact CG-CE 4.04Å; Q254-M285 HydrophobicContact CG-SD 4.03Å; Q254-M285 VanDerWaalsContact NE2-CG 3.29Å; R255-M285 HydrophobicContact CB-CE 4.29Å; L280-M285 HydrophobicContact CB-CG 3.97Å; L280-M285 HydrophobicContact CB-SD 3.86Å; L280-M285 HydrophobicContact CD1-SD 3.78Å; L280-M285 HydrophobicContact CG-SD 4.43Å; E281-M285 WeakPolarHBondContact O-CG 3.27Å; E281-M285 PolarHBondContact O-N 2.95Å; A282-M285 PolarHBondContact O-N 3.37Å; M285-T289 WeakPolarHBondContact O-CB 3.35Å; M285-T289 PolarHBondContact O-N 3.22Å; M285-T289 PolarHBondContact O-OG1 2.55Å
286K98.1Very high97.7Very high122 Ų12263.5 Ų63.553%0.5334%0.343SS..Hα-helixtrans-65.8-43.7174.8-71.9172.9-174.3171.30111.4A282 E283 E284 I288 T289 A290A282-K286 WeakPolarHBondContact O-CG 3.29Å; A282-K286 PolarHBondContact O-N 3.12Å; A282-K286 VanDerWaalsContact O-N 3.09Å; E283-K286 WeakPolarHBondContact O-CB 3.42Å; E283-K286 PolarHBondContact O-N 2.64Å; E283-K286 IonicContact OE1-NZ 2.7Å; E283-K286 PolarHBondContact OE1-NZ 3.47Å; E283-K286 IonicContact OE2-NZ 3.72Å; E284-K286 VanDerWaalsContact C-N 3.26Å; E284-K286 PolarHBondContact O-N 3.47Å; K286-I288 PolarHBondContact O-N 3.04Å; K286-T289 PolarHBondContact O-N 3.12Å; K286-A290 WeakPolarHBondContact O-CB 3.47Å; K286-A290 PolarHBondContact O-N 3.05Å
287S98.1Very high97.4Very high49 Ų4960.4 Ų60.434%0.34333%0.329SS..Hα-helixtrans-63.6-41.6-178.9770000112.2E283 E284 A290E283-S287 PolarHBondContact O-N 2.96Å; E284-S287 PolarHBondContact O-N 3.39Å; E284-S287 PolarHBondContact O-OG 3.04Å; S287-A290 PolarHBondContact O-N 2.73Å
288I98.5Very high97.3Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-66.3-41.8174.1-63.1174.4000110.6P188 L236 I247 W251 L280 E284 K286 A290 L291P188-I288 HydrophobicContact CB-CG2 3.78Å; P188-I288 HydrophobicContact CG-CG2 3.48Å; P188-I288 VanDerWaalsContact CG-CG2 3.48Å; L236-I288 HydrophobicContact CD1-CD1 3.64Å; L236-I288 HydrophobicContact CD1-CG1 3.75Å; I247-I288 HydrophobicContact CG2-CD1 3.68Å; W251-I288 HydrophobicContact CB-CD1 3.93Å; W251-I288 HydrophobicContact CB-CG2 4.12Å; W251-I288 HydrophobicContact CD2-CG2 3.71Å; W251-I288 HydrophobicContact CE3-CG2 4.4Å; W251-I288 HydrophobicContact CG-CB 4.12Å; W251-I288 HydrophobicContact CG-CD1 4.25Å; W251-I288 HydrophobicContact CG-CG2 3.54Å; L280-I288 HydrophobicContact CD1-CD1 3.73Å; E284-I288 WeakPolarHBondContact O-CG1 3.29Å; E284-I288 PolarHBondContact O-N 2.85Å; K286-I288 PolarHBondContact O-N 3.04Å; I288-A290 VanDerWaalsContact C-N 3.27Å; I288-A290 PolarHBondContact O-N 3.19Å; I288-L291 HydrophobicContact CG2-CD1 4.42Å; I288-L291 VanDerWaalsContact O-CB 3.27Å; I288-L291 WeakPolarHBondContact O-CB 3.47Å; I288-L291 WeakPolarHBondContact O-CG 3.3Å; I288-L291 PolarHBondContact O-N 2.63Å
289T98.3Very high97.1Very high47 Ų4756.4 Ų56.429%0.28831%0.31SS..Hα-helixtrans-64.4-33.3178.2-53.80000112V193 W251 M285 K286 L291 N292V193-T289 HydrophobicContact CG2-CG2 4.3Å; W251-T289 PolarHBondContact NE1-OG1 3.5Å; M285-T289 WeakPolarHBondContact O-CB 3.35Å; M285-T289 PolarHBondContact O-N 3.22Å; M285-T289 PolarHBondContact O-OG1 2.55Å; K286-T289 PolarHBondContact O-N 3.12Å; T289-L291 PolarHBondContact O-N 2.98Å; T289-N292 VanDerWaalsContact O-CB 3.23Å; T289-N292 WeakPolarHBondContact O-CB 3.39Å; T289-N292 PolarHBondContact O-N 3.46Å; T289-N292 VanDerWaalsContact O-N 3.1Å
290A98.1Very high96.6Very high82 Ų8253.2 Ų53.268%0.67829%0.29SS*.THydrogen-bonded Turntrans-67.7-12.3177.600000113.8K286 S287 I288 N292K286-A290 WeakPolarHBondContact O-CB 3.47Å; K286-A290 PolarHBondContact O-N 3.05Å; S287-A290 PolarHBondContact O-N 2.73Å; I288-A290 VanDerWaalsContact C-N 3.27Å; I288-A290 PolarHBondContact O-N 3.19Å; A290-N292 PolarHBondContact O-N 3.48Å
291L98.1Very high96.2Very high29 Ų2955.6 Ų55.615%0.15230%0.302CS..THydrogen-bonded Turntrans-69.2-9.7170.6-58.9172.2000112.7P188 Y189 E230 A232 V233 I288 T289 R293P188-L291 HydrophobicContact CB-CB 4.03Å; P188-L291 HydrophobicContact CB-CD1 3.8Å; P188-L291 CarbonylContact O-C 3.56Å; Y189-L291 HydrophobicContact CD1-CB 4.12Å; Y189-L291 HydrophobicContact CE1-CB 4.36Å; E230-L291 HydrophobicContact CG-CD1 3.7Å; E230-L291 HydrophobicContact CG-CD2 3.76Å; E230-L291 HydrophobicContact CG-CG 4.36Å; A232-L291 HydrophobicContact CB-CD1 4.5Å; A232-L291 HydrophobicContact CB-CD2 4.34Å; V233-L291 HydrophobicContact CG2-CD1 4.22Å; I288-L291 HydrophobicContact CG2-CD1 4.42Å; I288-L291 VanDerWaalsContact O-CB 3.27Å; I288-L291 WeakPolarHBondContact O-CB 3.47Å; I288-L291 WeakPolarHBondContact O-CG 3.3Å; I288-L291 PolarHBondContact O-N 2.63Å; T289-L291 PolarHBondContact O-N 2.98Å; L291-R293 PolarHBondContact O-N 2.59Å
292N98.1Very high95.7Very high67 Ų6751 Ų5136%0.35828%0.281SS..  trans-58.8126.5179.8-175.444.6000111.2P188 Y189 A191 T289 A290P188-N292 WeakPolarHBondContact O-CA 3.04Å; P188-N292 PolarHBondContact O-N 2.97Å; P188-N292 VanDerWaalsContact O-N 3.07Å; Y189-N292 PolarHBondContact O-OD1 2.94Å; A191-N292 HydrophobicContact CB-CB 3.78Å; A191-N292 PolarHBondContact N-OD1 2.91Å; T289-N292 VanDerWaalsContact O-CB 3.23Å; T289-N292 WeakPolarHBondContact O-CB 3.39Å; T289-N292 PolarHBondContact O-N 3.46Å; T289-N292 VanDerWaalsContact O-N 3.1Å; A290-N292 PolarHBondContact O-N 3.48Å
293R96.3Very high95.1Very high127 Ų12754.4 Ų54.448%0.47929%0.285SS..  trans-144.920.6-179.958.6173.9168.1-157.8-13.8112.7Y189 L291 W295Y189-R293 PolarHBondContact O-N 3.22Å; Y189-R293 PolarHBondContact OH-NH2 3.15Å; L291-R293 PolarHBondContact O-N 2.59Å; R293-W295 HydrophobicContact CG-CB 4.07Å; R293-W295 PolarHBondContact O-N 2.94Å
294G95.6Very high94.2Very high52 Ų5250.3 Ų50.354%0.53627%0.268SS..  trans65.520.5-179.600000114.3Y189 R296Y189-G294 PolarHBondContact O-N 2.91Å; Y189-G294 VanDerWaalsContact O-N 3.16Å; G294-R296 PolarHBondContact O-N 3.17Å
295W94.9Very high93.4Very high95 Ų9558.2 Ų58.236%0.3631%0.305SS..  trans-81.2105.1-174.7-170.1-81000111.4H187 Y189 L190 E224 P225 R293 Y297H187-W295 PolarHBondContact CE1-O 2.79Å; Y189-W295 PolarHBondContact O-N 3.12Å; L190-W295 WeakPolarHBondContact CB-O 3.33Å; E224-W295 HydrophobicContact CB-CZ2 4.15Å; E224-W295 HydrophobicContact CG-CZ2 3.72Å; E224-W295 WeakPolarHBondContact OE2-CZ2 3.42Å; E224-W295 PolarHBondContact OE2-NE1 3.11Å; E224-W295 VanDerWaalsContact OE2-NE1 3.09Å; P225-W295 HydrophobicContact CG-CD2 4.48Å; R293-W295 HydrophobicContact CG-CB 4.07Å; R293-W295 PolarHBondContact O-N 2.94Å; W295-Y297 AromaticContact CD1-CD1 3.54Å; W295-Y297 AromaticContact CD1-CE1 3.35Å; W295-Y297 AromaticContact CD1-CZ 3.63Å; W295-Y297 AromaticContact NE1-CD1 3.24Å; W295-Y297 AromaticContact NE1-CE1 3.07Å; W295-Y297 AromaticContact NE1-CZ 3.82Å
296R94.9Very high92.6Very high46 Ų4659.8 Ų59.817%0.17433%0.328CS..  trans-96.2118.4177.1-171.4179.3-63.2-74.4-7.9111.3E185 L190 G294 V299 Y324E185-R296 WeakPolarHBondContact OE2-CG 3.18Å; L190-R296 HydrophobicContact CD2-CB 4.15Å; L190-R296 HydrophobicContact CD2-CG 4.16Å; G294-R296 PolarHBondContact O-N 3.17Å; R296-V299 HydrophobicContact CB-CG2 4.48Å; R296-V299 HydrophobicContact CG-CG2 4.09Å; R296-Y324 PolarHBondContact NH2-OH 3.34Å
297Y92.9Very high91.8Very high4 Ų461.3 Ų61.32%0.01634%0.335CS..  trans-82.3-35.7174.6-63-65.1000113E185 H187 Y189 R217 W219 E224 P225 W295 V299E185-Y297 WeakPolarHBondContact OE1-CA 3.39Å; E185-Y297 VanDerWaalsContact OE1-CB 3.24Å; E185-Y297 WeakPolarHBondContact OE1-CB 3.45Å; E185-Y297 PolarHBondContact OE1-N 3.33Å; E185-Y297 PolarHBondContact OE2-N 2.97Å; H187-Y297 AromaticContact CE1-CD2 3.6Å; H187-Y297 AromaticContact CE1-CE2 3.57Å; H187-Y297 AromaticContact NE2-CD2 3.26Å; H187-Y297 VanDerWaalsContact NE2-CD2 3.26Å; H187-Y297 WeakPolarHBondContact NE2-CD2 3.49Å; H187-Y297 AromaticContact NE2-CE2 3.67Å; Y189-Y297 HydrophobicContact CD2-CE2 4.28Å; Y189-Y297 WeakPolarHBondContact CD2-OH 3.47Å; Y189-Y297 VanDerWaalsContact CE2-OH 3.29Å; Y189-Y297 WeakPolarHBondContact CE2-OH 3.29Å; R217-Y297 VanDerWaalsContact NH1-CD1 3.33Å; W219-Y297 PolarHBondContact NE1-O 2.9Å; E224-Y297 WeakPolarHBondContact OE2-CD1 3.31Å; E224-Y297 VanDerWaalsContact OE2-CE1 3.31Å; E224-Y297 WeakPolarHBondContact OE2-CE1 3.36Å; P225-Y297 PolarHBondContact O-OH 2.75Å; W295-Y297 AromaticContact CD1-CD1 3.54Å; W295-Y297 AromaticContact CD1-CE1 3.35Å; W295-Y297 AromaticContact CD1-CZ 3.63Å; W295-Y297 AromaticContact NE1-CD1 3.24Å; W295-Y297 AromaticContact NE1-CE1 3.07Å; W295-Y297 AromaticContact NE1-CZ 3.82Å; Y297-V299 PolarHBondContact O-N 3.3Å
298I93.7Very high91.2Very high15 Ų1565.3 Ų65.38%0.07734%0.342CS..  trans-96.475.4-172.6-48.6-54.2000110W21 E185 Y209 S210 W219W21-I298 HydrophobicContact CH2-CD1 4.22Å; W21-I298 HydrophobicContact CZ3-CD1 4.12Å; E185-I298 HydrophobicContact CG-CG1 4.48Å; E185-I298 PolarHBondContact OE1-N 3.09Å; E185-I298 WeakPolarHBondContact OE2-CA 3.09Å; E185-I298 VanDerWaalsContact OE2-CB 3.26Å; E185-I298 WeakPolarHBondContact OE2-CB 3.22Å; E185-I298 PolarHBondContact OE2-N 2.98Å; Y209-I298 HydrophobicContact CD2-CG1 4.38Å; Y209-I298 HydrophobicContact CE2-CB 3.82Å; Y209-I298 HydrophobicContact CE2-CG1 3.76Å; Y209-I298 HydrophobicContact CE2-CG2 4.03Å; S210-I298 WeakPolarHBondContact OG-CG1 3.31Å; W219-I298 HydrophobicContact CZ2-CD1 4.21Å
299V93.1Very high90.8Very high32 Ų3268 Ų6819%0.19436%0.359CS..  trans-102.1122.6164.5178.80000107.4R296 Y297 M301 P310R296-V299 HydrophobicContact CB-CG2 4.48Å; R296-V299 HydrophobicContact CG-CG2 4.09Å; Y297-V299 PolarHBondContact O-N 3.3Å; V299-M301 HydrophobicContact CB-SD 4.26Å; V299-M301 HydrophobicContact CG1-SD 3.83Å; V299-M301 WeakPolarHBondContact O-CG 3.19Å; V299-M301 PolarHBondContact O-N 2.74Å; V299-M301 VanDerWaalsContact O-N 3.15Å; V299-P310 HydrophobicContact CG1-CB 4.19Å
300P89.7Confident90.4Very high11 Ų1169 Ų697%0.07137%0.366CS..  trans-59.8120.5173.3-23.633.9000110.1W113 R311W113-P300 HydrophobicContact CH2-CG 3.61Å; W113-P300 HydrophobicContact CZ2-CG 3.77Å; W113-P300 HydrophobicContact CZ3-CG 4.3Å; P300-R311 HydrophobicContact CB-CB 4.13Å; P300-R311 VanDerWaalsContact O-CB 3.29Å; P300-R311 WeakPolarHBondContact O-CB 3.5Å; P300-R311 PolarHBondContact O-N 2.85Å
301M89.8Confident90.1Very high53 Ų5367 Ų6726%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-111.5152.2179.8-57.5-58.6-76.500110.4W219 V299 R308 V309 P310W219-M301 HydrophobicContact CG-CG 4.24Å; V299-M301 HydrophobicContact CB-SD 4.26Å; V299-M301 HydrophobicContact CG1-SD 3.83Å; V299-M301 WeakPolarHBondContact O-CG 3.19Å; V299-M301 PolarHBondContact O-N 2.74Å; V299-M301 VanDerWaalsContact O-N 3.15Å; M301-R308 HydrophobicContact CB-CG 4Å; M301-R308 HydrophobicContact CE-CG 4.06Å; M301-V309 WeakPolarHBondContact CA-O 3.42Å; M301-P310 HydrophobicContact CE-CG 4.45Å; M301-P310 HydrophobicContact SD-CG 4.37Å
302I86.9Confident89.9Confident11 Ų1165.6 Ų65.66%0.05633%0.333CS..EExtended strand (participates in β ladder)trans-140.5153.3176.1-165.1159.2000109.5R126 G130 L132 V304 R308 V309 R311R126-I302 VanDerWaalsContact NH1-CD1 3.3Å; G130-I302 VanDerWaalsContact O-CD1 3.28Å; G130-I302 WeakPolarHBondContact O-CD1 3.33Å; L132-I302 HydrophobicContact CD2-CD1 4.48Å; L132-I302 HydrophobicContact CG-CD1 4.22Å; I302-V304 HydrophobicContact CG2-CG2 3.98Å; I302-R308 CarbonylContact O-C 3.52Å; I302-R308 WeakPolarHBondContact O-CA 3.31Å; I302-V309 HydrophobicContact CG2-CG2 3.8Å; I302-V309 PolarHBondContact N-O 2.9Å; I302-V309 PolarHBondContact O-N 2.94Å; I302-R311 HydrophobicContact CB-CB 3.94Å; I302-R311 HydrophobicContact CB-CG 3.81Å; I302-R311 HydrophobicContact CD1-CG 3.82Å; I302-R311 HydrophobicContact CG1-CG 4.46Å; I302-R311 HydrophobicContact CG2-CB 3.87Å; I302-R311 HydrophobicContact CG2-CG 3.94Å
303E85.8Confident89.6Confident138 Ų13864 Ų6465%0.64533%0.329SS*.EExtended strand (participates in β ladder)trans-95.1124.3169.2-167.8174.7119.400108.6K307E303-K307 WeakPolarHBondContact CA-O 3.41Å
304V79.9Confident89.5Confident35 Ų3561.7 Ų61.721%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-130.2123.9174.4174.70000106.1I302 G306 K307 V309I302-V304 HydrophobicContact CG2-CG2 3.98Å; V304-G306 PolarHBondContact O-N 2.71Å; V304-G306 VanDerWaalsContact O-N 3.16Å; V304-K307 PolarHBondContact N-O 3.06Å; V304-K307 PolarHBondContact O-N 3.36Å; V304-V309 HydrophobicContact CB-CG2 4.48Å; V304-V309 HydrophobicContact CG2-CG2 4.35Å
305E82.4Confident89.5Confident181 Ų18160.1 Ų60.185%0.84632%0.324SS*.THydrogen-bonded Turntrans51.239.8-178.8-58.5178.5170.100113.4K307E305-K307 VanDerWaalsContact C-N 3.26Å; E305-K307 PolarHBondContact O-N 2.78Å
306G81.1Confident89.5Confident59 Ų5960.8 Ų60.861%0.60834%0.341SS*.THydrogen-bonded Turntrans74.36.9179.300000115.3V304V304-G306 PolarHBondContact O-N 2.71Å; V304-G306 VanDerWaalsContact O-N 3.16Å
307K82.5Confident89.6Confident155 Ų15560.8 Ų60.867%0.67434%0.342SS*.EExtended strand (participates in β ladder)trans-113.3138174.8-67.1-179.5-176.1171.90111.3E303 V304 E305E303-K307 WeakPolarHBondContact CA-O 3.41Å; V304-K307 PolarHBondContact N-O 3.06Å; V304-K307 PolarHBondContact O-N 3.36Å; E305-K307 VanDerWaalsContact C-N 3.26Å; E305-K307 PolarHBondContact O-N 2.78Å
308R85.4Confident89.8Confident133 Ų13361.2 Ų61.250%0.50234%0.344SS..EExtended strand (participates in β ladder)trans-85.3117.8175.7-158.5174.3-154.4156.59.1110.4A218 W219 M301 I302A218-R308 PolarHBondContact O-NH1 3.41Å; A218-R308 VanDerWaalsContact O-NH1 3.12Å; W219-R308 VanDerWaalsContact CA-NH1 3.31Å; W219-R308 VanDerWaalsContact CB-NH1 3.31Å; M301-R308 HydrophobicContact CB-CG 4Å; M301-R308 HydrophobicContact CE-CG 4.06Å; I302-R308 CarbonylContact O-C 3.52Å; I302-R308 WeakPolarHBondContact O-CA 3.31Å
309V88.4Confident90Very high57 Ų5760.5 Ų60.535%0.34534%0.341SS..EExtended strand (participates in β ladder)trans-128.2156.4-177.5-61.80000111.2M301 I302 V304 R311M301-V309 WeakPolarHBondContact CA-O 3.42Å; I302-V309 HydrophobicContact CG2-CG2 3.8Å; I302-V309 PolarHBondContact N-O 2.9Å; I302-V309 PolarHBondContact O-N 2.94Å; V304-V309 HydrophobicContact CB-CG2 4.48Å; V304-V309 HydrophobicContact CG2-CG2 4.35Å; V309-R311 PolarHBondContact O-N 2.84Å
310P90.8Very high90.3Very high67 Ų6760.6 Ų60.644%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-56.6121.2167.8-24.835.6000110.3V299 M301 A313V299-P310 HydrophobicContact CG1-CB 4.19Å; M301-P310 HydrophobicContact CE-CG 4.45Å; M301-P310 HydrophobicContact SD-CG 4.37Å; P310-A313 HydrophobicContact CB-CB 3.69Å
311R90.7Very high90.6Very high39 Ų3965 Ų6515%0.14736%0.361CS..SBendtrans-64.6-45.9-171.1-172.7-176.975.3-164.3-5.8112.9F124 L132 Y134 P300 I302 V309F124-R311 VanDerWaalsContact CE1-NH1 3.34Å; L132-R311 HydrophobicContact CD1-CG 3.81Å; L132-R311 HydrophobicContact CG-CG 4.06Å; Y134-R311 PolarHBondContact OH-O 2.81Å; P300-R311 HydrophobicContact CB-CB 4.13Å; P300-R311 VanDerWaalsContact O-CB 3.29Å; P300-R311 WeakPolarHBondContact O-CB 3.5Å; P300-R311 PolarHBondContact O-N 2.85Å; I302-R311 HydrophobicContact CB-CB 3.94Å; I302-R311 HydrophobicContact CB-CG 3.81Å; I302-R311 HydrophobicContact CD1-CG 3.82Å; I302-R311 HydrophobicContact CG1-CG 4.46Å; I302-R311 HydrophobicContact CG2-CB 3.87Å; I302-R311 HydrophobicContact CG2-CG 3.94Å; V309-R311 PolarHBondContact O-N 2.84Å
312D94.1Very high90.9Very high0 Ų065 Ų650%036%0.362CS..SBendtrans-116.65.6-166-49.4-44000113Y115 Y134 G314 H315 Y318Y115-D312 HydrophobicContact CE1-CB 4.38Å; Y115-D312 HydrophobicContact CE2-CB 3.87Å; Y115-D312 VanDerWaalsContact CE2-CG 3.5Å; Y115-D312 VanDerWaalsContact CE2-OD2 3.3Å; Y115-D312 WeakPolarHBondContact CE2-OD2 3.38Å; Y115-D312 VanDerWaalsContact CZ-OD2 3.27Å; Y115-D312 PolarHBondContact OH-OD2 3.48Å; Y134-D312 PolarHBondContact OH-OD1 2.77Å; D312-G314 PolarHBondContact O-N 3.44Å; D312-G314 VanDerWaalsContact O-N 3.13Å; D312-H315 WeakPolarHBondContact O-CB 3.49Å; D312-H315 PolarHBondContact O-N 3.22Å; D312-Y318 VanDerWaalsContact C-CD2 3.5Å; D312-Y318 HydrophobicContact CB-CD2 3.83Å; D312-Y318 HydrophobicContact CB-CE2 4Å; D312-Y318 WeakPolarHBondContact O-CB 3.44Å; D312-Y318 WeakPolarHBondContact O-CD2 3.4Å
313A93.6Very high91.3Very high33 Ų3370.1 Ų70.127%0.27340%0.397SS..THydrogen-bonded Turntrans-62.5-25.6-170.400000114.3P310 H315 Y318 N321P310-A313 HydrophobicContact CB-CB 3.69Å; A313-H315 VanDerWaalsContact C-N 3.34Å; A313-Y318 HydrophobicContact CB-CD1 4.34Å; A313-Y318 HydrophobicContact CB-CE1 4.03Å; A313-N321 PolarHBondContact O-ND2 3.22Å
314G92.9Very high91.5Very high80 Ų8066.2 Ų66.283%0.82538%0.376SS*.THydrogen-bonded Turntrans-83.2-3.5174.800000114.7D312D312-G314 PolarHBondContact O-N 3.44Å; D312-G314 VanDerWaalsContact O-N 3.13Å
315H95.9Very high92.1Very high19 Ų1967.8 Ų67.89%0.08838%0.384CS..SBendtrans-72.1136.7-178.8-167.4-84.7000110.8Y115 Y134 D312 A313 H317 Y318Y115-H315 WeakPolarHBondContact CB-CE1 3.35Å; Y115-H315 VanDerWaalsContact CB-ND1 3.28Å; Y115-H315 WeakPolarHBondContact CB-ND1 3.28Å; Y134-H315 AromaticContact CD1-CD2 3.36Å; Y134-H315 WeakPolarHBondContact CD1-CD2 3.37Å; Y134-H315 AromaticContact CD1-NE2 3.96Å; Y134-H315 AromaticContact CE1-CD2 3.79Å; Y134-H315 AromaticContact CG-CD2 3.68Å; D312-H315 WeakPolarHBondContact O-CB 3.49Å; D312-H315 PolarHBondContact O-N 3.22Å; A313-H315 VanDerWaalsContact C-N 3.34Å; H315-H317 PolarHBondContact ND1-N 2.58Å; H315-H317 PolarHBondContact O-N 3.38Å; H315-Y318 WeakPolarHBondContact O-CB 3.37Å; H315-Y318 PolarHBondContact O-N 2.83Å
316P94.7Very high92.6Very high109 Ų10961.8 Ų61.871%0.70836%0.36SS*.THydrogen-bonded Turntrans-59.1-23.8-179.6-26.735000114.9
317H97.1Very high93.2Very high45 Ų4561.9 Ų61.921%0.20835%0.346CS..THydrogen-bonded Turntrans-103.116.4175.9-58-26.7000113.5P114 Y139 Q167 H315 P319P114-H317 WeakPolarHBondContact CG-O 3.04Å; P114-H317 WeakPolarHBondContact O-CB 3.16Å; Y139-H317 AromaticContact CD1-CD2 3.9Å; Y139-H317 HydrophobicContact CE1-CB 4.34Å; Y139-H317 AromaticContact CE1-CD2 3.94Å; Y139-H317 AromaticContact CE1-CG 3.85Å; Y139-H317 AromaticContact CE1-ND1 3.96Å; Q167-H317 PolarHBondContact NE2-O 3.44Å; H315-H317 PolarHBondContact ND1-N 2.58Å; H315-H317 PolarHBondContact O-N 3.38Å; H317-P319 WeakPolarHBondContact O-CD 3.38Å
318Y98.2Very high93.8Very high14 Ų1456.5 Ų56.56%0.05533%0.327CS..  trans-63.2122.6176.5-171-111.9000110.6Y115 D312 A313 H315 F320 N321Y115-Y318 HydrophobicContact CE1-CD2 4.16Å; D312-Y318 VanDerWaalsContact C-CD2 3.5Å; D312-Y318 HydrophobicContact CB-CD2 3.83Å; D312-Y318 HydrophobicContact CB-CE2 4Å; D312-Y318 WeakPolarHBondContact O-CB 3.44Å; D312-Y318 WeakPolarHBondContact O-CD2 3.4Å; A313-Y318 HydrophobicContact CB-CD1 4.34Å; A313-Y318 HydrophobicContact CB-CE1 4.03Å; H315-Y318 WeakPolarHBondContact O-CB 3.37Å; H315-Y318 PolarHBondContact O-N 2.83Å; Y318-F320 HydrophobicContact CD1-CB 4.28Å; Y318-F320 HydrophobicContact CE1-CB 3.66Å; Y318-F320 HydrophobicContact CE1-CD2 4.14Å; Y318-F320 HydrophobicContact CE1-CG 4.26Å; Y318-F320 HydrophobicContact CE2-CD2 4.18Å; Y318-F320 AromaticContact CZ-CD2 3.66Å; Y318-F320 PolarHBondContact O-N 3.47Å; Y318-F320 WeakPolarHBondContact OH-CD2 3.26Å; Y318-N321 WeakPolarHBondContact CD1-OD1 3.16Å
319P97.9Very high94.4Very high0 Ų051.7 Ų51.70%032%0.316CS..THydrogen-bonded Turntrans-77.9-18.4-167.227.2-34.7000114.4W113 P114 N162 N164 H317W113-P319 HydrophobicContact CE3-CG 4.25Å; W113-P319 HydrophobicContact CZ3-CG 4.14Å; P114-P319 HydrophobicContact CG-CB 4.02Å; P114-P319 HydrophobicContact CG-CG 4.04Å; N162-P319 HydrophobicContact CB-CG 4.37Å; N162-P319 WeakPolarHBondContact O-CB 3.29Å; N162-P319 WeakPolarHBondContact O-CG 3.45Å; N164-P319 HydrophobicContact CB-CB 4.49Å; N164-P319 WeakPolarHBondContact CB-O 3.42Å; N164-P319 PolarHBondContact ND2-O 3.01Å; N164-P319 VanDerWaalsContact ND2-O 3.1Å; H317-P319 WeakPolarHBondContact O-CD 3.38Å
320F97.9Very high94.8Very high33 Ų3351.3 Ų51.315%0.14531%0.314CS..THydrogen-bonded Turntrans-99.49.8-167.7-48.3-34.9000114W113 N162 Y318 Y324W113-F320 AromaticContact CH2-CE2 3.84Å; W113-F320 HydrophobicContact CH2-CE2 3.84Å; W113-F320 AromaticContact CH2-CZ 3.85Å; W113-F320 HydrophobicContact CH2-CZ 3.85Å; W113-F320 AromaticContact CZ3-CE2 3.67Å; W113-F320 HydrophobicContact CZ3-CE2 3.67Å; W113-F320 AromaticContact CZ3-CZ 3.56Å; W113-F320 HydrophobicContact CZ3-CZ 3.56Å; N162-F320 HydrophobicContact CB-CE1 4.41Å; N162-F320 HydrophobicContact CB-CZ 4.2Å; Y318-F320 HydrophobicContact CD1-CB 4.28Å; Y318-F320 HydrophobicContact CE1-CB 3.66Å; Y318-F320 HydrophobicContact CE1-CD2 4.14Å; Y318-F320 HydrophobicContact CE1-CG 4.26Å; Y318-F320 HydrophobicContact CE2-CD2 4.18Å; Y318-F320 AromaticContact CZ-CD2 3.66Å; Y318-F320 PolarHBondContact O-N 3.47Å; Y318-F320 WeakPolarHBondContact OH-CD2 3.26Å; F320-Y324 WeakPolarHBondContact CD1-OH 3.24Å
321N96.8Very high95Very high104 Ų10450.2 Ų50.256%0.55631%0.305SS*.SBendtrans-82-32.1173.5-69.6-21000112.3A313 Y318A313-N321 PolarHBondContact O-ND2 3.22Å; Y318-N321 WeakPolarHBondContact CD1-OD1 3.16Å
322D96.1Very high95.4Very high53 Ų5351.1 Ų51.128%0.28332%0.318SS..SBendtrans-80.8140.6179.7-63.4-24.3000110.2N164 R166 Y324N164-D322 PolarHBondContact ND2-OD2 3.08Å; R166-D322 IonicContact CZ-OD2 3.88Å; R166-D322 IonicContact NE-OD2 3.75Å; R166-D322 PolarHBondContact NE-OD2 2.94Å; R166-D322 IonicContact NH2-OD2 2.9Å; R166-D322 PolarHBondContact NH2-OD2 3.16Å; D322-Y324 WeakPolarHBondContact O-CD1 3.49Å
323P94.6Very high95.5Very high119 Ų11955.3 Ų55.377%0.77334%0.344SS*.  trans-73.3146.9175.430.6-34.6000112.3
324Y90.3Very high95.7Very high55 Ų5557.4 Ų57.422%0.21635%0.351CS..  trans-171.4017156.9-102.8000110.9N164 Q192 D194 L195 R296 F320 D322N164-Y324 HydrophobicContact CB-CD1 4.14Å; N164-Y324 HydrophobicContact CB-CE1 3.9Å; Q192-Y324 VanDerWaalsContact OE1-CD2 3.23Å; D194-Y324 VanDerWaalsContact CB-OXT 3.26Å; D194-Y324 WeakPolarHBondContact CB-OXT 3.48Å; L195-Y324 HydrophobicContact CB-CD2 3.75Å; L195-Y324 HydrophobicContact CB-CE2 4.44Å; L195-Y324 HydrophobicContact CB-CG 4.17Å; L195-Y324 HydrophobicContact CD2-CD2 3.91Å; L195-Y324 HydrophobicContact CD2-CE2 3.82Å; L195-Y324 HydrophobicContact CD2-CG 4.41Å; L195-Y324 HydrophobicContact CG-CD2 4.37Å; R296-Y324 PolarHBondContact NH2-OH 3.34Å; F320-Y324 WeakPolarHBondContact CD1-OH 3.24Å; D322-Y324 WeakPolarHBondContact O-CD1 3.49Å

Retrieved 324 of 324 residues in 212.6 ms (Link to these results)

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