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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 A0A060WMU5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), 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
1M61.2Low91.1Very high145 Ų14563 Ų6371%0.71440%0.404SS*.  0153.10-73179.8-163.300109.1R250 Q254M1-R250 PolarHBondContact SD-NH2 3.03Å; M1-Q254 HydrophobicContact CE-CG 4.27Å
2S78.9Confident91.7Very high80 Ų8069.8 Ų69.856%0.55942%0.423SS*.  trans-62136171.7-179.70000109.6C4 L15S2-C4 WeakPolarHBondContact CB-O 3.45Å; S2-C4 PolarHBondContact OG-N 3.46Å; S2-C4 PolarHBondContact OG-O 2.84Å; S2-L15 WeakPolarHBondContact O-CD1 3.3Å
3S92.4Very high92.2Very high64 Ų6464.5 Ų64.545%0.44839%0.39SS..SBendtrans-82.50173.3540000113.3L15S3-L15 WeakPolarHBondContact O-CB 3.25Å; S3-L15 PolarHBondContact O-N 3.09Å
4C96.9Very high92.6Very high32 Ų3261.1 Ų61.122%0.21637%0.371CS..EExtended strand (participates in β ladder)trans-132.7156177.3-55.90000111.4S2 K12 I13S2-C4 WeakPolarHBondContact CB-O 3.45Å; S2-C4 PolarHBondContact OG-N 3.46Å; S2-C4 PolarHBondContact OG-O 2.84Å; C4-K12 HydrophobicContact CB-CB 4.13Å; C4-I13 CarbonylContact C-O 3.56Å; C4-I13 WeakPolarHBondContact CA-O 3.38Å; C4-I13 VanDerWaalsContact CB-O 3.31Å; C4-I13 WeakPolarHBondContact CB-O 3.47Å
5V96.6Very high93Very high33 Ų3357.5 Ų57.520%0.235%0.349CS..EExtended strand (participates in β ladder)trans-109.5149.2163.9-66.10000110.1K12 I13 L15 V258V5-K12 WeakPolarHBondContact O-CA 3.48Å; V5-I13 HydrophobicContact CG2-CG2 3.33Å; V5-I13 PolarHBondContact N-O 3.35Å; V5-I13 PolarHBondContact O-N 3.19Å; V5-L15 HydrophobicContact CG1-CD1 4.17Å; V5-L15 HydrophobicContact CG1-CD2 3.6Å; V5-L15 HydrophobicContact CG1-CG 3.95Å; V5-L15 HydrophobicContact CG2-CD2 4.37Å; V5-V258 HydrophobicContact CG2-CG2 3.8Å
6T97.6Very high93.4Very high95 Ų9554.2 Ų54.258%0.58333%0.328SS*.EExtended strand (participates in β ladder)trans-90.7120.2176.2-53.60000108
7L98Very high93.7Very high7 Ų751 Ų514%0.03731%0.309CS..  trans-70.4161.1175.2-62.7178.3000110.3S9 G10 H11 I13 F75 V180 V181 C205L7-S9 PolarHBondContact O-N 2.81Å; L7-S9 VanDerWaalsContact O-N 3.11Å; L7-G10 WeakPolarHBondContact O-CA 3.42Å; L7-G10 PolarHBondContact O-N 2.99Å; L7-H11 WeakPolarHBondContact CB-O 3.48Å; L7-H11 PolarHBondContact N-O 3.11Å; L7-I13 HydrophobicContact CD1-CB 4.24Å; L7-I13 HydrophobicContact CD1-CG2 4.33Å; L7-I13 HydrophobicContact CD2-CB 4.4Å; L7-I13 HydrophobicContact CD2-CG2 3.61Å; L7-I13 HydrophobicContact CG-CB 4.28Å; L7-I13 HydrophobicContact CG-CG2 3.87Å; L7-F75 HydrophobicContact CD1-CE2 4.17Å; L7-F75 HydrophobicContact CD1-CZ 4.04Å; L7-V180 HydrophobicContact CB-CB 4.3Å; L7-V180 HydrophobicContact CD1-CB 4.44Å; L7-V180 HydrophobicContact CD1-CG2 4.01Å; L7-V181 HydrophobicContact CD2-CG2 3.72Å; L7-C205 HydrophobicContact CD2-CB 3.62Å
8S96.9Very high94Very high75 Ų7548.3 Ų48.352%0.52429%0.292SS..THydrogen-bonded Turntrans-60.7-19.2174.549.60000113.5G10 G203S8-G10 VanDerWaalsContact C-N 3.27Å; S8-G10 PolarHBondContact O-N 3.29Å; S8-G203 WeakPolarHBondContact CB-O 3.38Å; S8-G203 PolarHBondContact OG-O 3.42Å
9S93.3Very high94.2Very high47 Ų4746 Ų4633%0.32928%0.28SS..THydrogen-bonded Turntrans-78.2-1.5169.764.70000114.8L7 H11L7-S9 PolarHBondContact O-N 2.81Å; L7-S9 VanDerWaalsContact O-N 3.11Å; S9-H11 VanDerWaalsContact C-N 3.25Å; S9-H11 PolarHBondContact O-N 2.86Å; S9-H11 PolarHBondContact OG-ND1 3.22Å
10G95.7Very high94.4Very high53 Ų5343.7 Ų43.755%0.54627%0.266SS..SBendtrans82.2-11.5-175.900000115L7 S8L7-G10 WeakPolarHBondContact O-CA 3.42Å; L7-G10 PolarHBondContact O-N 2.99Å; S8-G10 VanDerWaalsContact C-N 3.27Å; S8-G10 PolarHBondContact O-N 3.29Å
11H94.9Very high94.5Very high62 Ų6245.4 Ų45.429%0.28727%0.267SS..  trans-72.8150.3175.1-64.394.1000111.5L7 S9 R156L7-H11 WeakPolarHBondContact CB-O 3.48Å; L7-H11 PolarHBondContact N-O 3.11Å; S9-H11 VanDerWaalsContact C-N 3.25Å; S9-H11 PolarHBondContact O-N 2.86Å; S9-H11 PolarHBondContact OG-ND1 3.22Å; H11-R156 PolarHBondContact NE2-NH1 2.92Å
12K97.3Very high95.9Very high145 Ų14541.7 Ų41.763%0.6325%0.247SC*.EExtended strand (participates in β ladder)trans-97.9126.5176.8-66.5-176.8-179.8-1780110.5C4 V5 F75C4-K12 HydrophobicContact CB-CB 4.13Å; V5-K12 WeakPolarHBondContact O-CA 3.48Å; K12-F75 WeakPolarHBondContact O-CD2 3.48Å
13I98.5Very high96.3Very high0 Ų038.2 Ų38.20%022%0.223CC..EExtended strand (participates in β ladder)trans-104.6127.7171.1-174.7171.2000109.5C4 V5 L7 L15 F75 V258C4-I13 CarbonylContact C-O 3.56Å; C4-I13 WeakPolarHBondContact CA-O 3.38Å; C4-I13 VanDerWaalsContact CB-O 3.31Å; C4-I13 WeakPolarHBondContact CB-O 3.47Å; V5-I13 HydrophobicContact CG2-CG2 3.33Å; V5-I13 PolarHBondContact N-O 3.35Å; V5-I13 PolarHBondContact O-N 3.19Å; L7-I13 HydrophobicContact CD1-CB 4.24Å; L7-I13 HydrophobicContact CD1-CG2 4.33Å; L7-I13 HydrophobicContact CD2-CB 4.4Å; L7-I13 HydrophobicContact CD2-CG2 3.61Å; L7-I13 HydrophobicContact CG-CB 4.28Å; L7-I13 HydrophobicContact CG-CG2 3.87Å; I13-L15 PolarHBondContact O-N 3.22Å; I13-F75 HydrophobicContact CB-CD2 4.27Å; I13-F75 HydrophobicContact CB-CE2 3.97Å; I13-F75 HydrophobicContact CB-CZ 4.1Å; I13-F75 HydrophobicContact CD1-CD1 4.26Å; I13-F75 HydrophobicContact CD1-CE1 3.75Å; I13-F75 HydrophobicContact CD1-CZ 3.97Å; I13-F75 HydrophobicContact CG1-CD1 4.07Å; I13-F75 HydrophobicContact CG1-CD2 4.38Å; I13-F75 HydrophobicContact CG1-CE1 3.95Å; I13-F75 HydrophobicContact CG1-CE2 4.26Å; I13-F75 HydrophobicContact CG1-CG 4.29Å; I13-F75 HydrophobicContact CG1-CZ 4.05Å; I13-V258 HydrophobicContact CD1-CG1 4.21Å; I13-V258 HydrophobicContact CD1-CG2 4.32Å; I13-V258 HydrophobicContact CG1-CG1 4.43Å; I13-V258 HydrophobicContact CG1-CG2 4.44Å; I13-V258 HydrophobicContact CG2-CG2 3.93Å
14P98.7Very high96Very high18 Ų1837.2 Ų37.212%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-61.6134.4172-24.635.2000111.9V16 R41 H42 V258P14-V16 PolarHBondContact O-N 3.31Å; P14-R41 HydrophobicContact CG-CB 4.11Å; P14-H42 HydrophobicContact CB-CB 3.82Å; P14-H42 HydrophobicContact CG-CB 3.86Å; P14-H42 PolarHBondContact O-ND1 2.76Å; P14-V258 WeakPolarHBondContact O-CG1 3.49Å
15L98.6Very high95.4Very high7 Ų741 Ų414%0.03724%0.242CC..SBendtrans-66.1-18.6-178-83.7166.4000113.5S2 S3 V5 I13 V253 V258 C259 F276S2-L15 WeakPolarHBondContact O-CD1 3.3Å; S3-L15 WeakPolarHBondContact O-CB 3.25Å; S3-L15 PolarHBondContact O-N 3.09Å; V5-L15 HydrophobicContact CG1-CD1 4.17Å; V5-L15 HydrophobicContact CG1-CD2 3.6Å; V5-L15 HydrophobicContact CG1-CG 3.95Å; V5-L15 HydrophobicContact CG2-CD2 4.37Å; I13-L15 PolarHBondContact O-N 3.22Å; L15-V253 HydrophobicContact CB-CG1 4.46Å; L15-V253 HydrophobicContact CB-CG2 4.2Å; L15-V253 HydrophobicContact CD1-CG1 3.96Å; L15-V258 HydrophobicContact CD2-CG2 4.1Å; L15-V258 CarbonylContact O-C 3.44Å; L15-V258 WeakPolarHBondContact O-CA 3.46Å; L15-C259 PolarHBondContact O-N 3.05Å; L15-F276 HydrophobicContact CB-CE1 4.22Å; L15-F276 HydrophobicContact CB-CZ 4.2Å; L15-F276 HydrophobicContact CD1-CE1 4.44Å
16V98.8Very high95Very high4 Ų442.2 Ų42.22%0.02426%0.262CS..BIsolated β-bridgetrans-126.2123172.9-179.70000109.1P14 Y40 V253 C259 I273 V275 F276P14-V16 PolarHBondContact O-N 3.31Å; V16-Y40 HydrophobicContact CG1-CE1 3.75Å; V16-V253 HydrophobicContact CG2-CG2 3.93Å; V16-C259 CarbonylContact C-O 3.52Å; V16-C259 WeakPolarHBondContact CA-O 3.48Å; V16-I273 HydrophobicContact CG1-CB 4.48Å; V16-V275 HydrophobicContact CG2-CG2 3.81Å; V16-F276 HydrophobicContact CB-CZ 4.44Å; V16-F276 HydrophobicContact CG2-CE2 4.12Å; V16-F276 HydrophobicContact CG2-CZ 3.84Å
17G98.8Very high94.8Very high0 Ų042.1 Ų42.10%026%0.255CS..  trans-121.4167.3171.600000112.4H42 C259 I260 P261G17-H42 CarbonylContact C-O 3.57Å; G17-H42 WeakPolarHBondContact CA-O 3.31Å; G17-C259 PolarHBondContact N-O 3.49Å; G17-I260 WeakPolarHBondContact O-CA 3.28Å; G17-P261 WeakPolarHBondContact O-CD 3.46Å
18L98.9Very high94.8Very high2 Ų241.8 Ų41.81%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-92.3119.1172.818073.2000109.3A31 V32 A35 Y40 H42 I43 D44 I269L18-A31 HydrophobicContact CD2-CB 4.47Å; L18-V32 HydrophobicContact CD2-CG2 4Å; L18-A35 HydrophobicContact CB-CB 4.21Å; L18-A35 HydrophobicContact CD1-CB 4.47Å; L18-A35 HydrophobicContact CD2-CB 3.76Å; L18-A35 HydrophobicContact CG-CB 4.36Å; L18-Y40 HydrophobicContact CB-CD1 4.07Å; L18-Y40 HydrophobicContact CB-CE1 4.22Å; L18-H42 PolarHBondContact N-O 2.66Å; L18-I43 HydrophobicContact CB-CD1 3.89Å; L18-I43 HydrophobicContact CD2-CD1 4.31Å; L18-D44 PolarHBondContact O-N 2.64Å; L18-I269 HydrophobicContact CD1-CG1 4.34Å
19G98.6Very high94.9Very high5 Ų541.3 Ų41.35%0.05224%0.242CC..EExtended strand (participates in β ladder)trans-77.9139.8167.600000111.5P261 K262G19-P261 PolarHBondContact N-O 3.38Å; G19-K262 WeakPolarHBondContact O-CA 3.43Å; G19-K262 WeakPolarHBondContact O-CB 3.36Å; G19-K262 WeakPolarHBondContact O-CG 3.49Å
20T98.2Very high95.1Very high0 Ų044.5 Ų44.50%025%0.252CS..  trans-110.4-0.8-178.164.30000114.8K22 S23 V28 V32 I43 D44 N51 V55T20-K22 PolarHBondContact O-N 3.07Å; T20-S23 WeakPolarHBondContact O-CB 3.24Å; T20-S23 PolarHBondContact O-N 2.92Å; T20-S23 PolarHBondContact O-OG 3.43Å; T20-V28 HydrophobicContact CG2-CG2 4.01Å; T20-V32 HydrophobicContact CG2-CG2 4.4Å; T20-I43 HydrophobicContact CG2-CG2 4Å; T20-D44 WeakPolarHBondContact CG2-O 3.17Å; T20-D44 PolarHBondContact N-O 2.99Å; T20-D44 PolarHBondContact OG1-O 3.03Å; T20-N51 PolarHBondContact O-ND2 2.97Å; T20-V55 HydrophobicContact CG2-CG2 4.09Å
21W95.3Very high95.2Very high80 Ų8042.1 Ų42.130%0.30323%0.226SC..THydrogen-bonded Turntrans-58.8135178.2-178.247.9000112.2S23 Y49 W219 K262 I298W21-S23 PolarHBondContact O-N 3.05Å; W21-S23 VanDerWaalsContact O-N 3.17Å; W21-Y49 HydrophobicContact CB-CD1 4.16Å; W21-Y49 HydrophobicContact CB-CD2 4.09Å; W21-Y49 HydrophobicContact CB-CE1 3.98Å; W21-Y49 HydrophobicContact CB-CE2 3.91Å; W21-Y49 HydrophobicContact CB-CG 4.24Å; W21-Y49 AromaticContact CD1-CD1 3.44Å; W21-Y49 VanDerWaalsContact CD1-CD1 3.44Å; W21-Y49 AromaticContact CD1-CE1 3.63Å; W21-Y49 HydrophobicContact CG-CD1 4.09Å; W21-Y49 AromaticContact CG-CE1 3.95Å; W21-Y49 HydrophobicContact CG-CE1 3.95Å; W21-W219 HydrophobicContact CH2-CH2 4.43Å; W21-K262 WeakPolarHBondContact O-CD 3.26Å; W21-K262 WeakPolarHBondContact O-CE 3.45Å; W21-K262 VanDerWaalsContact O-CG 3.31Å; W21-K262 WeakPolarHBondContact O-CG 3.46Å; W21-I298 HydrophobicContact CH2-CD1 4.28Å; W21-I298 HydrophobicContact CZ3-CD1 4.19Å
22K91.6Very high95.4Very high67 Ų6739.1 Ų39.129%0.29121%0.213SC..THydrogen-bonded Turntrans60.215.7-177.4-52.4174.966.2-142.50115.3T20 A24 D216 K262T20-K22 PolarHBondContact O-N 3.07Å; K22-A24 PolarHBondContact O-N 2.83Å; K22-D216 VanDerWaalsContact NZ-C 3.31Å; K22-D216 PolarHBondContact NZ-O 3.37Å; K22-D216 IonicContact NZ-OD1 3.21Å; K22-D216 IonicContact NZ-OD2 3.85Å; K22-D216 PolarHBondContact NZ-OD2 2.79Å; K22-K262 PolarHBondContact O-NZ 3.25Å
23S87.2Confident95.5Very high7 Ų732.9 Ų32.95%0.04919%0.186CC..  trans-72.4113.8164.2-65.20000107.1T20 W21 N51 K262 V264T20-S23 WeakPolarHBondContact O-CB 3.24Å; T20-S23 PolarHBondContact O-N 2.92Å; T20-S23 PolarHBondContact O-OG 3.43Å; W21-S23 PolarHBondContact O-N 3.05Å; W21-S23 VanDerWaalsContact O-N 3.17Å; S23-N51 PolarHBondContact O-ND2 3.15Å; S23-K262 WeakPolarHBondContact OG-CE 3.49Å; S23-V264 WeakPolarHBondContact OG-CG1 3.32Å
24A85.9Confident95.5Very high43 Ų4333.7 Ų33.736%0.35519%0.191SC..  trans-63156.3-175.500000111K22 G26 Q27K22-A24 PolarHBondContact O-N 2.83Å; A24-G26 PolarHBondContact O-N 3.14Å; A24-Q27 HydrophobicContact CB-CG 4.38Å; A24-Q27 WeakPolarHBondContact O-CB 3.43Å; A24-Q27 PolarHBondContact O-N 3.06Å
25P83.3Confident95.5Very high110 Ų11032.9 Ų32.971%0.71419%0.186SC*.THydrogen-bonded Turntrans-51.1137.1172.2-26.735.2000111.7Q27 E54P25-Q27 VanDerWaalsContact C-N 3.27Å; P25-Q27 PolarHBondContact O-N 2.69Å; P25-E54 WeakPolarHBondContact CA-OE1 3.01Å
26G88.5Confident95.5Very high60 Ų6032.8 Ų32.862%0.61919%0.185SC*.THydrogen-bonded Turntrans81.3-10.5-176.200000115.5A24 E54A24-G26 PolarHBondContact O-N 3.14Å; G26-E54 WeakPolarHBondContact CA-OE2 3.08Å; G26-E54 VanDerWaalsContact N-CD 3.34Å; G26-E54 PolarHBondContact N-OE1 2.95Å; G26-E54 PolarHBondContact N-OE2 2.93Å
27Q94.8Very high95.4Very high92 Ų9237.3 Ų37.343%0.4321%0.209SC..THydrogen-bonded Turntrans-101.4-35.5178.9-61.1-174.6-26.300113A24 P25 K29 Q30 A31 V264A24-Q27 HydrophobicContact CB-CG 4.38Å; A24-Q27 WeakPolarHBondContact O-CB 3.43Å; A24-Q27 PolarHBondContact O-N 3.06Å; P25-Q27 VanDerWaalsContact C-N 3.27Å; P25-Q27 PolarHBondContact O-N 2.69Å; Q27-K29 VanDerWaalsContact C-N 3.33Å; Q27-K29 PolarHBondContact O-N 3.22Å; Q27-Q30 PolarHBondContact O-N 3.27Å; Q27-A31 PolarHBondContact O-N 2.67Å; Q27-V264 HydrophobicContact CB-CB 4.43Å; Q27-V264 HydrophobicContact CB-CG1 4.07Å
28V97.3Very high95.4Very high0 Ų039.3 Ų39.30%022%0.223CC..Hα-helixtrans-64-38.1-17172.50000112.1T20 Q30 A31 V32 N51 E54 V55T20-V28 HydrophobicContact CG2-CG2 4.01Å; V28-Q30 PolarHBondContact O-N 3.41Å; V28-A31 WeakPolarHBondContact O-CB 3.43Å; V28-A31 PolarHBondContact O-N 2.99Å; V28-V32 HydrophobicContact CG2-CG2 4.39Å; V28-V32 WeakPolarHBondContact O-CG2 3.31Å; V28-V32 PolarHBondContact O-N 3.02Å; V28-N51 HydrophobicContact CG1-CB 4.17Å; V28-E54 HydrophobicContact CG1-CB 3.3Å; V28-E54 HydrophobicContact CG1-CG 4.25Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.28Å; V28-V55 HydrophobicContact CG1-CG2 4.42Å; V28-V55 HydrophobicContact CG2-CG2 3.7Å
29K98.1Very high95.4Very high66 Ų6640.8 Ų40.829%0.28724%0.239SC..Hα-helixtrans-56.5-50.8177.1-177.4-179.9-173.9162.30111.3Q27 A31 V32 L33 E54 E57 A58Q27-K29 VanDerWaalsContact C-N 3.33Å; Q27-K29 PolarHBondContact O-N 3.22Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A31 PolarHBondContact O-N 3.22Å; K29-V32 PolarHBondContact O-N 3.22Å; K29-L33 HydrophobicContact CG-CD1 4.43Å; K29-L33 WeakPolarHBondContact O-CG 3.33Å; K29-L33 PolarHBondContact O-N 3.45Å; K29-E54 HydrophobicContact CB-CB 4.46Å; K29-E57 HydrophobicContact CD-CB 4.2Å; K29-E57 IonicContact NZ-OE2 2.76Å; K29-E57 PolarHBondContact NZ-OE2 3.5Å; K29-A58 HydrophobicContact CG-CB 3.96Å
30Q98.3Very high95.4Very high114 Ų11440.6 Ų40.653%0.53324%0.236SC..Hα-helixtrans-66.8-36.4179.6-171.75750.800111.8Q27 V28 L33 T34Q27-Q30 PolarHBondContact O-N 3.27Å; V28-Q30 PolarHBondContact O-N 3.41Å; Q30-L33 PolarHBondContact O-N 2.84Å; Q30-T34 PolarHBondContact NE2-OG1 3.02Å; Q30-T34 WeakPolarHBondContact O-CB 3.4Å; Q30-T34 PolarHBondContact O-N 3.12Å; Q30-T34 PolarHBondContact O-OG1 3.4Å
31A98.6Very high95.4Very high2 Ų244.4 Ų44.42%0.01725%0.251CS..Hα-helixtrans-62.1-44.8175.500000111.7L18 Q27 V28 K29 T34 A35 V264 I269L18-A31 HydrophobicContact CD2-CB 4.47Å; Q27-A31 PolarHBondContact O-N 2.67Å; V28-A31 WeakPolarHBondContact O-CB 3.43Å; V28-A31 PolarHBondContact O-N 2.99Å; K29-A31 VanDerWaalsContact C-N 3.34Å; K29-A31 PolarHBondContact O-N 3.22Å; A31-T34 PolarHBondContact O-N 3.29Å; A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.87Å; A31-V264 HydrophobicContact CB-CB 4.39Å; A31-V264 HydrophobicContact CB-CG1 4.14Å; A31-I269 HydrophobicContact CB-CD1 4.03Å
32V98.6Very high95.6Very high0 Ų040.7 Ų40.70%024%0.237CC..Hα-helixtrans-64.4-45.9176.6173.60000111.3L18 T20 V28 K29 T34 A35 L36 I43 V55 A58 L59L18-V32 HydrophobicContact CD2-CG2 4Å; T20-V32 HydrophobicContact CG2-CG2 4.4Å; V28-V32 HydrophobicContact CG2-CG2 4.39Å; V28-V32 WeakPolarHBondContact O-CG2 3.31Å; V28-V32 PolarHBondContact O-N 3.02Å; K29-V32 PolarHBondContact O-N 3.22Å; V32-T34 VanDerWaalsContact C-N 3.34Å; V32-T34 PolarHBondContact O-N 2.92Å; V32-A35 PolarHBondContact O-N 2.94Å; V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 3.26Å; V32-I43 HydrophobicContact CG1-CD1 4.34Å; V32-I43 HydrophobicContact CG2-CG2 4.39Å; V32-V55 HydrophobicContact CG2-CG1 4.19Å; V32-V55 HydrophobicContact CG2-CG2 4.15Å; V32-A58 HydrophobicContact CB-CB 3.76Å; V32-A58 HydrophobicContact CG1-CB 3.64Å; V32-L59 HydrophobicContact CG1-CD2 4.36Å
33L98.5Very high95.9Very high13 Ų1337.5 Ų37.57%0.06822%0.223CC..Hα-helixtrans-57.3-49175.6-70175.4000111.3K29 Q30 A35 L36 D37 A58 L61 R62K29-L33 HydrophobicContact CG-CD1 4.43Å; K29-L33 WeakPolarHBondContact O-CG 3.33Å; K29-L33 PolarHBondContact O-N 3.45Å; Q30-L33 PolarHBondContact O-N 2.84Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.31Å; L33-D37 WeakPolarHBondContact O-CB 3.49Å; L33-D37 PolarHBondContact O-N 3.35Å; L33-A58 HydrophobicContact CD2-CB 4.03Å; L33-A58 HydrophobicContact CG-CB 3.93Å; L33-L61 HydrophobicContact CD1-CD1 4.27Å; L33-L61 HydrophobicContact CD2-CB 4.42Å; L33-L61 HydrophobicContact CD2-CD1 4.3Å; L33-R62 HydrophobicContact CD2-CG 3.64Å
34T98.6Very high96.5Very high18 Ų1837.3 Ų37.311%0.1122%0.221CC..Hα-helixtrans-57.7-46177.5-55.20000111.3Q30 A31 V32 D37 C38 P266 I269Q30-T34 PolarHBondContact NE2-OG1 3.02Å; Q30-T34 WeakPolarHBondContact O-CB 3.4Å; Q30-T34 PolarHBondContact O-N 3.12Å; Q30-T34 PolarHBondContact O-OG1 3.4Å; A31-T34 PolarHBondContact O-N 3.29Å; V32-T34 VanDerWaalsContact C-N 3.34Å; V32-T34 PolarHBondContact O-N 2.92Å; T34-D37 PolarHBondContact O-N 3.08Å; T34-C38 WeakPolarHBondContact O-CB 3.46Å; T34-C38 PolarHBondContact O-N 2.85Å; T34-C38 PolarHBondContact O-SG 3.14Å; T34-P266 HydrophobicContact CG2-CB 3.91Å; T34-I269 HydrophobicContact CG2-CB 4.39Å; T34-I269 HydrophobicContact CG2-CD1 4.2Å; T34-I269 HydrophobicContact CG2-CG2 4.25Å
35A98.8Very high97.1Very high0 Ų035.2 Ų35.20%020%0.204CC..Hα-helixtrans-62.1-47.1179.400000111.8L18 A31 V32 L33 D37 C38 G39 Y40 I269L18-A35 HydrophobicContact CB-CB 4.21Å; L18-A35 HydrophobicContact CD1-CB 4.47Å; L18-A35 HydrophobicContact CD2-CB 3.76Å; L18-A35 HydrophobicContact CG-CB 4.36Å; A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.87Å; V32-A35 PolarHBondContact O-N 2.94Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.08Å; A35-D37 VanDerWaalsContact C-N 3.29Å; A35-D37 PolarHBondContact O-N 3.43Å; A35-C38 CarbonylContact O-C 3.48Å; A35-C38 PolarHBondContact O-N 3.31Å; A35-C38 VanDerWaalsContact O-N 3.16Å; A35-G39 PolarHBondContact O-N 3.12Å; A35-Y40 HydrophobicContact CB-CD1 4.39Å; A35-Y40 HydrophobicContact CB-CD2 3.74Å; A35-Y40 HydrophobicContact CB-CE2 4.34Å; A35-Y40 HydrophobicContact CB-CG 3.76Å; A35-Y40 VanDerWaalsContact O-CB 3.27Å; A35-Y40 WeakPolarHBondContact O-CB 3.36Å; A35-Y40 VanDerWaalsContact O-CD2 3.25Å; A35-Y40 WeakPolarHBondContact O-CD2 3.4Å; A35-Y40 PolarHBondContact O-N 3.13Å; A35-I269 HydrophobicContact CB-CG2 3.76Å
36L98.6Very high97.8Very high5 Ų530 Ų303%0.02617%0.17CC..Hα-helixtrans-60.2-40.8178.1-67.7174.2000111.8V32 L33 G39 R41 I43 L59 R62 L63 L69 V74V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 3.31Å; L36-G39 PolarHBondContact O-N 3.23Å; L36-G39 VanDerWaalsContact O-N 3.13Å; L36-R41 PolarHBondContact O-NH1 3.11Å; L36-I43 HydrophobicContact CD2-CD1 4.45Å; L36-L59 HydrophobicContact CD1-CD2 4.34Å; L36-R62 HydrophobicContact CD1-CB 3.78Å; L36-R62 HydrophobicContact CD1-CG 3.9Å; L36-L63 HydrophobicContact CD1-CD1 3.96Å; L36-L69 HydrophobicContact CB-CD1 4.29Å; L36-L69 HydrophobicContact CD2-CD1 4.02Å; L36-V74 HydrophobicContact CD2-CG1 4.06Å; L36-V74 HydrophobicContact CD2-CG2 4.16Å
37D97.9Very high98.3Very high99 Ų9928.9 Ų28.953%0.52916%0.155SC..Hα-helixtrans-68.1-33.4177.5-65.1-15.9000111.6L33 T34 A35 G39 R62L33-D37 WeakPolarHBondContact O-CB 3.49Å; L33-D37 PolarHBondContact O-N 3.35Å; T34-D37 PolarHBondContact O-N 3.08Å; A35-D37 VanDerWaalsContact C-N 3.29Å; A35-D37 PolarHBondContact O-N 3.43Å; D37-G39 PolarHBondContact O-N 3.16Å; D37-R62 IonicContact OD1-CZ 3.75Å; D37-R62 IonicContact OD1-NE 3.83Å; D37-R62 PolarHBondContact OD1-NE 3.43Å; D37-R62 IonicContact OD1-NH2 3.44Å; D37-R62 PolarHBondContact OD1-NH2 2.85Å; D37-R62 IonicContact OD2-CZ 3.84Å; D37-R62 IonicContact OD2-NE 3.67Å; D37-R62 IonicContact OD2-NH2 2.77Å; D37-R62 PolarHBondContact OD2-NH2 3.31Å
38C98.2Very high98.4Very high42 Ų4225.5 Ų25.528%0.28414%0.143SC..THydrogen-bonded Turntrans-76.9-0.3171.7-68.10000114.2T34 A35 Y40T34-C38 WeakPolarHBondContact O-CB 3.46Å; T34-C38 PolarHBondContact O-N 2.85Å; T34-C38 PolarHBondContact O-SG 3.14Å; A35-C38 CarbonylContact O-C 3.48Å; A35-C38 PolarHBondContact O-N 3.31Å; A35-C38 VanDerWaalsContact O-N 3.16Å; C38-Y40 HydrophobicContact CB-CD2 4.4Å
39G98Very high98.4Very high34 Ų3427.3 Ų27.335%0.35115%0.15SC..THydrogen-bonded Turntrans98.36.5176.300000115.6A35 L36 D37 R41A35-G39 PolarHBondContact O-N 3.12Å; L36-G39 PolarHBondContact O-N 3.23Å; L36-G39 VanDerWaalsContact O-N 3.13Å; D37-G39 PolarHBondContact O-N 3.16Å; G39-R41 PolarHBondContact O-N 2.88Å
40Y98.7Very high98.3Very high0 Ų028.5 Ų28.50%017%0.167CC..  trans-60.7138.6172.1-78.5-109.1000110.7V16 L18 A35 C38 I269 N272 I273V16-Y40 HydrophobicContact CG1-CE1 3.75Å; L18-Y40 HydrophobicContact CB-CD1 4.07Å; L18-Y40 HydrophobicContact CB-CE1 4.22Å; A35-Y40 HydrophobicContact CB-CD1 4.39Å; A35-Y40 HydrophobicContact CB-CD2 3.74Å; A35-Y40 HydrophobicContact CB-CE2 4.34Å; A35-Y40 HydrophobicContact CB-CG 3.76Å; A35-Y40 VanDerWaalsContact O-CB 3.27Å; A35-Y40 WeakPolarHBondContact O-CB 3.36Å; A35-Y40 VanDerWaalsContact O-CD2 3.25Å; A35-Y40 WeakPolarHBondContact O-CD2 3.4Å; A35-Y40 PolarHBondContact O-N 3.13Å; C38-Y40 HydrophobicContact CB-CD2 4.4Å; Y40-I269 HydrophobicContact CD2-CG2 4.34Å; Y40-I269 HydrophobicContact CE2-CG2 3.79Å; Y40-I269 WeakPolarHBondContact CE2-O 3.39Å; Y40-I269 PolarHBondContact OH-O 3.41Å; Y40-I269 VanDerWaalsContact OH-O 3.11Å; Y40-N272 WeakPolarHBondContact OH-CB 3.38Å; Y40-I273 HydrophobicContact CD1-CD1 4.22Å; Y40-I273 HydrophobicContact CD2-CB 4.13Å; Y40-I273 HydrophobicContact CD2-CD1 3.53Å; Y40-I273 HydrophobicContact CD2-CG1 4.43Å; Y40-I273 HydrophobicContact CD2-CG2 4.19Å; Y40-I273 HydrophobicContact CE1-CD1 4.45Å; Y40-I273 HydrophobicContact CE2-CB 3.49Å; Y40-I273 VanDerWaalsContact CE2-CB 3.49Å; Y40-I273 HydrophobicContact CE2-CD1 3.82Å; Y40-I273 HydrophobicContact CE2-CG1 4.23Å; Y40-I273 HydrophobicContact CE2-CG2 3.63Å; Y40-I273 HydrophobicContact CG-CD1 3.76Å; Y40-I273 PolarHBondContact OH-N 3.33Å
41R98.6Very high98.2Very high81 Ų8123.4 Ų23.431%0.30614%0.143SC..  trans-129.118.8174.8-62.9-60.4176.9-96.6-1.8111.9P14 L36 G39 A73 V74 F75P14-R41 HydrophobicContact CG-CB 4.11Å; L36-R41 PolarHBondContact O-NH1 3.11Å; G39-R41 PolarHBondContact O-N 2.88Å; R41-A73 WeakPolarHBondContact CB-O 3.49Å; R41-A73 VanDerWaalsContact CD-O 3.29Å; R41-A73 WeakPolarHBondContact CD-O 3.45Å; R41-V74 CarbonylContact O-C 3.59Å; R41-V74 WeakPolarHBondContact O-CA 3.4Å; R41-F75 WeakPolarHBondContact O-CB 3.2Å; R41-F75 PolarHBondContact O-N 3.14Å
42H98.9Very high98.2Very high1 Ų123.5 Ų23.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-141.4124.4176.3175.6-167.5000109P14 G17 L18 F75 T77P14-H42 HydrophobicContact CB-CB 3.82Å; P14-H42 HydrophobicContact CG-CB 3.86Å; P14-H42 PolarHBondContact O-ND1 2.76Å; G17-H42 CarbonylContact C-O 3.57Å; G17-H42 WeakPolarHBondContact CA-O 3.31Å; L18-H42 PolarHBondContact N-O 2.66Å; H42-F75 VanDerWaalsContact CA-O 3.27Å; H42-F75 WeakPolarHBondContact CA-O 3.17Å; H42-F75 HydrophobicContact CB-CB 4.36Å; H42-F75 AromaticContact CD2-CD1 3.86Å; H42-T77 PolarHBondContact NE2-OG1 3.28Å
43I98.9Very high98.2Very high0 Ų029.2 Ų29.20%017%0.17CC..EExtended strand (participates in β ladder)trans-124.3126.4175.5-48.5-65.7000108.3L18 T20 V32 L36 V55 V74 F75 L76 T77L18-I43 HydrophobicContact CB-CD1 3.89Å; L18-I43 HydrophobicContact CD2-CD1 4.31Å; T20-I43 HydrophobicContact CG2-CG2 4Å; V32-I43 HydrophobicContact CG1-CD1 4.34Å; V32-I43 HydrophobicContact CG2-CG2 4.39Å; L36-I43 HydrophobicContact CD2-CD1 4.45Å; I43-V55 HydrophobicContact CG2-CG1 4.31Å; I43-V74 HydrophobicContact CG1-CG1 4.28Å; I43-F75 PolarHBondContact N-O 3.46Å; I43-L76 HydrophobicContact CB-CD1 3.85Å; I43-L76 HydrophobicContact CG1-CD1 4.45Å; I43-L76 HydrophobicContact CG2-CD1 4.42Å; I43-T77 PolarHBondContact O-N 3.49Å
44D98.9Very high98.2Very high3 Ų330.5 Ų30.52%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-102.4124.3177.4175.7-89.9000110.5L18 T20 K79 Q183 I260L18-D44 PolarHBondContact O-N 2.64Å; T20-D44 WeakPolarHBondContact CG2-O 3.17Å; T20-D44 PolarHBondContact N-O 2.99Å; T20-D44 PolarHBondContact OG1-O 3.03Å; D44-K79 IonicContact OD1-NZ 2.83Å; D44-K79 PolarHBondContact OD1-NZ 3.3Å; D44-K79 IonicContact OD2-NZ 3.57Å; D44-K79 PolarHBondContact OD2-NZ 2.85Å; D44-Q183 PolarHBondContact OD2-NE2 3.32Å; D44-I260 HydrophobicContact CB-CB 4.15Å; D44-I260 HydrophobicContact CB-CD1 3.83Å; D44-I260 HydrophobicContact CB-CG2 3.87Å; D44-I260 WeakPolarHBondContact OD1-CD1 3.42Å
45C98.8Very high98.2Very high0 Ų029.6 Ų29.60%017%0.17CC..  trans-126.4175-178.1-62.90000110.7E52 T77 S78 K79C45-E52 HydrophobicContact CB-CG 4.37Å; C45-T77 WeakPolarHBondContact CA-O 3.26Å; C45-T77 VanDerWaalsContact CB-O 3.32Å; C45-T77 WeakPolarHBondContact CB-O 3.4Å; C45-T77 PolarHBondContact N-O 2.87Å; C45-S78 WeakPolarHBondContact O-CA 3.28Å; C45-K79 WeakPolarHBondContact O-CG 3.36Å; C45-K79 PolarHBondContact O-NZ 3.29Å
46A98.7Very high98.2Very high0 Ų030 Ų300%017%0.174CC..  trans-161.1147.5163.800000108.9A48 Y49 K79A46-A48 PolarHBondContact O-N 2.79Å; A46-Y49 HydrophobicContact CB-CD1 3.83Å; A46-Y49 HydrophobicContact CB-CD2 3.75Å; A46-Y49 HydrophobicContact CB-CE1 3.63Å; A46-Y49 HydrophobicContact CB-CE2 3.54Å; A46-Y49 HydrophobicContact CB-CG 3.87Å; A46-Y49 VanDerWaalsContact CB-CZ 3.45Å; A46-Y49 WeakPolarHBondContact O-CB 3.5Å; A46-Y49 PolarHBondContact O-N 3.29Å; A46-K79 HydrophobicContact CB-CB 3.86Å; A46-K79 HydrophobicContact CB-CD 3.98Å; A46-K79 HydrophobicContact CB-CG 3.83Å
47A97.7Very high98.2Very high36 Ų3633.5 Ų33.530%0.29819%0.19SC..G310 helixtrans-54.7-38.8174.100000112.1Y49 S50 E52A47-Y49 PolarHBondContact O-N 2.68Å; A47-Y49 VanDerWaalsContact O-N 3.16Å; A47-S50 PolarHBondContact O-N 3.4Å; A47-S50 VanDerWaalsContact O-N 3.1Å; A47-E52 WeakPolarHBondContact CA-OE2 2.92Å
48A97.3Very high98.2Very high22 Ų2228.8 Ų28.818%0.18217%0.165CC..G310 helixtrans-67.3-11.9-179.600000114.9A46 W81 L123A46-A48 PolarHBondContact O-N 2.79Å; A48-W81 HydrophobicContact CB-CB 4.36Å; A48-W81 HydrophobicContact CB-CD2 3.44Å; A48-W81 VanDerWaalsContact CB-CD2 3.44Å; A48-W81 HydrophobicContact CB-CE3 3.33Å; A48-W81 HydrophobicContact CB-CG 3.92Å; A48-W81 HydrophobicContact CB-CH2 4.27Å; A48-W81 HydrophobicContact CB-CZ2 4.39Å; A48-W81 HydrophobicContact CB-CZ3 3.76Å; A48-L123 HydrophobicContact CB-CD2 4.37Å
49Y97.1Very high98.3Very high38 Ų3826.9 Ų26.915%0.14915%0.152CC..G310 helixtrans-81.1-10175.5-55.4-14.9000111.9W21 A46 A47 N51 K79 H112W21-Y49 HydrophobicContact CB-CD1 4.16Å; W21-Y49 HydrophobicContact CB-CD2 4.09Å; W21-Y49 HydrophobicContact CB-CE1 3.98Å; W21-Y49 HydrophobicContact CB-CE2 3.91Å; W21-Y49 HydrophobicContact CB-CG 4.24Å; W21-Y49 AromaticContact CD1-CD1 3.44Å; W21-Y49 VanDerWaalsContact CD1-CD1 3.44Å; W21-Y49 AromaticContact CD1-CE1 3.63Å; W21-Y49 HydrophobicContact CG-CD1 4.09Å; W21-Y49 AromaticContact CG-CE1 3.95Å; W21-Y49 HydrophobicContact CG-CE1 3.95Å; A46-Y49 HydrophobicContact CB-CD1 3.83Å; A46-Y49 HydrophobicContact CB-CD2 3.75Å; A46-Y49 HydrophobicContact CB-CE1 3.63Å; A46-Y49 HydrophobicContact CB-CE2 3.54Å; A46-Y49 HydrophobicContact CB-CG 3.87Å; A46-Y49 VanDerWaalsContact CB-CZ 3.45Å; A46-Y49 WeakPolarHBondContact O-CB 3.5Å; A46-Y49 PolarHBondContact O-N 3.29Å; A47-Y49 PolarHBondContact O-N 2.68Å; A47-Y49 VanDerWaalsContact O-N 3.16Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.49Å; Y49-N51 PolarHBondContact O-N 3.13Å; Y49-N51 VanDerWaalsContact O-N 3.16Å; Y49-K79 PolarHBondContact OH-NZ 3.21Å; Y49-H112 AromaticContact CE1-CE1 3.66Å
50S95.9Very high98.3Very high91 Ų9127.6 Ų27.664%0.63615%0.154SC*.SBendtrans5531.8176.5-580000113.9A47A47-S50 PolarHBondContact O-N 3.4Å; A47-S50 VanDerWaalsContact O-N 3.1Å
51N97.8Very high98.2Very high7 Ų732.2 Ų32.24%0.03718%0.179CC..  trans-139.48.6-175.468.65000114T20 S23 V28 Y49 Q53 E54 V55T20-N51 PolarHBondContact O-ND2 2.97Å; S23-N51 PolarHBondContact O-ND2 3.15Å; V28-N51 HydrophobicContact CG1-CB 4.17Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.49Å; Y49-N51 PolarHBondContact O-N 3.13Å; Y49-N51 VanDerWaalsContact O-N 3.16Å; N51-Q53 PolarHBondContact O-N 3.21Å; N51-E54 PolarHBondContact O-N 3.18Å; N51-V55 WeakPolarHBondContact O-CG2 3.2Å; N51-V55 PolarHBondContact O-N 2.88Å
52E98.6Very high98.2Very high3 Ų331.3 Ų31.31%0.01418%0.175CC..Hα-helixtrans-59.2-33179.1-68.9-167.2126.300113C45 A47 V55 G56 S78 S97 H100 L101C45-E52 HydrophobicContact CB-CG 4.37Å; A47-E52 WeakPolarHBondContact CA-OE2 2.92Å; E52-V55 WeakPolarHBondContact O-CB 3Å; E52-V55 PolarHBondContact O-N 3.35Å; E52-G56 PolarHBondContact O-N 3.37Å; E52-S78 WeakPolarHBondContact OE1-CB 3.5Å; E52-S78 PolarHBondContact OE1-OG 3.2Å; E52-S97 PolarHBondContact OE1-OG 3.11Å; E52-S97 WeakPolarHBondContact OE2-CA 3.38Å; E52-S97 VanDerWaalsContact OE2-CB 3.27Å; E52-S97 WeakPolarHBondContact OE2-CB 3.46Å; E52-S97 PolarHBondContact OE2-OG 2.8Å; E52-H100 HydrophobicContact CB-CB 3.85Å; E52-L101 HydrophobicContact CB-CD2 4.03Å; E52-L101 HydrophobicContact CB-CG 4.16Å; E52-L101 HydrophobicContact CG-CD2 4.41Å; E52-L101 WeakPolarHBondContact O-CD2 3.15Å
53Q98.5Very high98.1Very high121 Ų12131.9 Ų31.957%0.56518%0.178SC*.Hα-helixtrans-63.1-46.6178.9-175.3169-0.200112N51 V55 G56 E57 H100N51-Q53 PolarHBondContact O-N 3.21Å; Q53-V55 VanDerWaalsContact C-N 3.31Å; Q53-V55 PolarHBondContact O-N 3.36Å; Q53-G56 WeakPolarHBondContact O-CA 3.4Å; Q53-G56 PolarHBondContact O-N 3.19Å; Q53-G56 VanDerWaalsContact O-N 3.11Å; Q53-E57 PolarHBondContact O-N 3.21Å; Q53-H100 WeakPolarHBondContact CA-O 3.4Å; Q53-H100 HydrophobicContact CB-CB 4.42Å
54E98.4Very high97.8Very high39 Ų3932.9 Ų32.918%0.18219%0.189CC..Hα-helixtrans-68.3-31.4177.3-71.9-175-132.900112.5P25 G26 V28 K29 N51 E57 A58P25-E54 WeakPolarHBondContact CA-OE1 3.01Å; G26-E54 WeakPolarHBondContact CA-OE2 3.08Å; G26-E54 VanDerWaalsContact N-CD 3.34Å; G26-E54 PolarHBondContact N-OE1 2.95Å; G26-E54 PolarHBondContact N-OE2 2.93Å; V28-E54 HydrophobicContact CG1-CB 3.3Å; V28-E54 HydrophobicContact CG1-CG 4.25Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.28Å; K29-E54 HydrophobicContact CB-CB 4.46Å; N51-E54 PolarHBondContact O-N 3.18Å; E54-E57 PolarHBondContact O-N 2.86Å; E54-A58 PolarHBondContact O-N 2.92Å
55V98.6Very high97.4Very high0 Ų039.2 Ų39.20%023%0.23CC..Hα-helixtrans-62.5-47.3168.61760000109.7T20 V28 V32 I43 N51 E52 Q53 E57 A58 L59 L101T20-V55 HydrophobicContact CG2-CG2 4.09Å; V28-V55 HydrophobicContact CG1-CG2 4.42Å; V28-V55 HydrophobicContact CG2-CG2 3.7Å; V32-V55 HydrophobicContact CG2-CG1 4.19Å; V32-V55 HydrophobicContact CG2-CG2 4.15Å; I43-V55 HydrophobicContact CG2-CG1 4.31Å; N51-V55 WeakPolarHBondContact O-CG2 3.2Å; N51-V55 PolarHBondContact O-N 2.88Å; E52-V55 WeakPolarHBondContact O-CB 3Å; E52-V55 PolarHBondContact O-N 3.35Å; Q53-V55 VanDerWaalsContact C-N 3.31Å; Q53-V55 PolarHBondContact O-N 3.36Å; V55-E57 VanDerWaalsContact C-N 3.29Å; V55-E57 PolarHBondContact O-N 3.31Å; V55-A58 WeakPolarHBondContact O-CA 3.24Å; V55-A58 WeakPolarHBondContact O-CB 3.48Å; V55-A58 PolarHBondContact O-N 2.83Å; V55-L59 HydrophobicContact CG1-CD1 3.96Å; V55-L59 HydrophobicContact CG1-CG 4.19Å; V55-L59 WeakPolarHBondContact O-CG 3.46Å; V55-L59 PolarHBondContact O-N 2.79Å; V55-L101 HydrophobicContact CB-CD2 3.96Å; V55-L101 HydrophobicContact CG1-CD2 3.77Å
56G98.6Very high97.1Very high7 Ų743.6 Ų43.67%0.07228%0.275CS..Hα-helixtrans-56.6-39.917700000113.3E52 Q53 A58 L59 A60 L101E52-G56 PolarHBondContact O-N 3.37Å; Q53-G56 WeakPolarHBondContact O-CA 3.4Å; Q53-G56 PolarHBondContact O-N 3.19Å; Q53-G56 VanDerWaalsContact O-N 3.11Å; G56-A58 VanDerWaalsContact C-N 3.32Å; G56-A58 PolarHBondContact O-N 3.35Å; G56-L59 PolarHBondContact O-N 3.01Å; G56-L59 VanDerWaalsContact O-N 3.14Å; G56-A60 PolarHBondContact O-N 2.84Å; G56-L101 VanDerWaalsContact CA-O 3.25Å; G56-L101 WeakPolarHBondContact CA-O 3.48Å
57E98.5Very high97Very high79 Ų7947.7 Ų47.737%0.36929%0.293SS..Hα-helixtrans-62.3-35.8173.5-68.4177.8-160.900113.4K29 Q53 E54 V55 A60 L61K29-E57 HydrophobicContact CD-CB 4.2Å; K29-E57 IonicContact NZ-OE2 2.76Å; K29-E57 PolarHBondContact NZ-OE2 3.5Å; Q53-E57 PolarHBondContact O-N 3.21Å; E54-E57 PolarHBondContact O-N 2.86Å; V55-E57 VanDerWaalsContact C-N 3.29Å; V55-E57 PolarHBondContact O-N 3.31Å; E57-A60 CarbonylContact O-C 3.57Å; E57-L61 WeakPolarHBondContact O-CG 3.45Å
58A98.3Very high96.9Very high0 Ų049.9 Ų49.90%031%0.311CS..Hα-helixtrans-74.6-26.617400000113.2K29 V32 L33 E54 V55 G56 A60K29-A58 HydrophobicContact CG-CB 3.96Å; V32-A58 HydrophobicContact CB-CB 3.76Å; V32-A58 HydrophobicContact CG1-CB 3.64Å; L33-A58 HydrophobicContact CD2-CB 4.03Å; L33-A58 HydrophobicContact CG-CB 3.93Å; E54-A58 PolarHBondContact O-N 2.92Å; V55-A58 WeakPolarHBondContact O-CA 3.24Å; V55-A58 WeakPolarHBondContact O-CB 3.48Å; V55-A58 PolarHBondContact O-N 2.83Å; G56-A58 VanDerWaalsContact C-N 3.32Å; G56-A58 PolarHBondContact O-N 3.35Å; A58-A60 CarbonylContact C-O 3.54Å
59L98.5Very high96.9Very high3 Ų350 Ų502%0.01631%0.308CS..Hα-helixtrans-81-37.6176.9-64.8176.3000112.7V32 L36 V55 G56 L63 L76 L101 L103V32-L59 HydrophobicContact CG1-CD2 4.36Å; L36-L59 HydrophobicContact CD1-CD2 4.34Å; V55-L59 HydrophobicContact CG1-CD1 3.96Å; V55-L59 HydrophobicContact CG1-CG 4.19Å; V55-L59 WeakPolarHBondContact O-CG 3.46Å; V55-L59 PolarHBondContact O-N 2.79Å; G56-L59 PolarHBondContact O-N 3.01Å; G56-L59 VanDerWaalsContact O-N 3.14Å; L59-L63 HydrophobicContact CB-CD2 4.36Å; L59-L63 HydrophobicContact CD2-CD1 3.99Å; L59-L63 HydrophobicContact CD2-CD2 3.92Å; L59-L63 WeakPolarHBondContact O-CA 3.42Å; L59-L63 VanDerWaalsContact O-CB 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.11Å; L59-L63 PolarHBondContact O-N 3.47Å; L59-L76 HydrophobicContact CD1-CD1 3.69Å; L59-L76 HydrophobicContact CD1-CG 4.21Å; L59-L76 HydrophobicContact CD2-CD1 4.42Å; L59-L101 HydrophobicContact CD1-CD2 4.37Å; L59-L103 HydrophobicContact CD1-CD1 4.35Å; L59-L103 HydrophobicContact CD1-CD2 4.45Å
60A98.1Very high96.9Very high48 Ų4856.6 Ų56.640%0.39733%0.333SS..THydrogen-bonded Turntrans-53.6179.2147.200000107.9G56 E57 A58 R62G56-A60 PolarHBondContact O-N 2.84Å; E57-A60 CarbonylContact O-C 3.57Å; A58-A60 CarbonylContact C-O 3.54Å; A60-R62 PolarHBondContact O-N 3.46Å
61L97.9Very high96.9Very high97 Ų9753.8 Ų53.851%0.50831%0.309SS..THydrogen-bonded Turntrans59.9-44-170.9-45.8179.1000118.4L33 E57L33-L61 HydrophobicContact CD1-CD1 4.27Å; L33-L61 HydrophobicContact CD2-CB 4.42Å; L33-L61 HydrophobicContact CD2-CD1 4.3Å; E57-L61 WeakPolarHBondContact O-CG 3.45Å
62R97.3Very high96.9Very high63 Ų6358.6 Ų58.624%0.23833%0.331CS..THydrogen-bonded Turntrans-111.1-34.7-176.7-68.2-65.1-173.9-84.6-0.6114.3L33 L36 D37 A60 K67 A68 L69L33-R62 HydrophobicContact CD2-CG 3.64Å; L36-R62 HydrophobicContact CD1-CB 3.78Å; L36-R62 HydrophobicContact CD1-CG 3.9Å; D37-R62 IonicContact OD1-CZ 3.75Å; D37-R62 IonicContact OD1-NE 3.83Å; D37-R62 PolarHBondContact OD1-NE 3.43Å; D37-R62 IonicContact OD1-NH2 3.44Å; D37-R62 PolarHBondContact OD1-NH2 2.85Å; D37-R62 IonicContact OD2-CZ 3.84Å; D37-R62 IonicContact OD2-NE 3.67Å; D37-R62 IonicContact OD2-NH2 2.77Å; D37-R62 PolarHBondContact OD2-NH2 3.31Å; A60-R62 PolarHBondContact O-N 3.46Å; R62-K67 VanDerWaalsContact O-CB 3.26Å; R62-K67 WeakPolarHBondContact O-CB 3.46Å; R62-A68 PolarHBondContact O-N 3.35Å; R62-L69 PolarHBondContact O-N 3.14Å
63L97.2Very high96.8Very high12 Ų1260.3 Ų60.36%0.06335%0.346CS..BIsolated β-bridgetrans-105.4138.2-175.2-68.857.5000112.4L36 L59 K67 L69 V74L36-L63 HydrophobicContact CD1-CD1 3.96Å; L59-L63 HydrophobicContact CB-CD2 4.36Å; L59-L63 HydrophobicContact CD2-CD1 3.99Å; L59-L63 HydrophobicContact CD2-CD2 3.92Å; L59-L63 WeakPolarHBondContact O-CA 3.42Å; L59-L63 VanDerWaalsContact O-CB 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.11Å; L59-L63 PolarHBondContact O-N 3.47Å; L63-K67 VanDerWaalsContact O-CD 3.23Å; L63-K67 WeakPolarHBondContact O-CD 3.34Å; L63-K67 VanDerWaalsContact O-CE 3.28Å; L63-K67 WeakPolarHBondContact O-CE 3.44Å; L63-K67 PolarHBondContact O-NZ 3.42Å; L63-L69 CarbonylContact C-O 3.05Å; L63-L69 VanDerWaalsContact CA-O 3.27Å; L63-L69 WeakPolarHBondContact CA-O 3.04Å; L63-L69 HydrophobicContact CD1-CB 4.4Å; L63-L69 HydrophobicContact CD1-CD1 4.41Å; L63-L69 HydrophobicContact CG-CB 4.41Å; L63-V74 HydrophobicContact CD1-CG2 4.15Å; L63-V74 HydrophobicContact CD2-CB 4.11Å; L63-V74 HydrophobicContact CD2-CG2 4Å; L63-V74 HydrophobicContact CG-CG2 4.08Å
64G92.9Very high96.8Very high21 Ų2154.7 Ų54.722%0.21632%0.319CS..SBendtrans122.7-176.4169.600000114.2G66 K67 L69G64-G66 PolarHBondContact O-N 3.33Å; G64-K67 PolarHBondContact O-N 2.98Å; G64-K67 VanDerWaalsContact O-N 3.09Å; G64-L69 PolarHBondContact N-O 2.94Å
65P91.1Very high96.8Very high137 Ų13753.4 Ų53.489%0.8931%0.313SS*.THydrogen-bonded Turntrans-55.6130.8-179.7-25.134.7000112K67P65-K67 PolarHBondContact O-N 2.94Å
66G92.5Very high96.8Very high92 Ų9253.4 Ų53.495%0.94831%0.313SS*.THydrogen-bonded Turntrans72.86.3-179.400000115.4G64G64-G66 PolarHBondContact O-N 3.33Å
67K96.2Very high96.8Very high85 Ų8553.1 Ų53.137%0.3731%0.31SS..SBendtrans-105.1170.9176.9-49.4-160.5-159.7150.20112.1R62 L63 G64 P65 L69R62-K67 VanDerWaalsContact O-CB 3.26Å; R62-K67 WeakPolarHBondContact O-CB 3.46Å; L63-K67 VanDerWaalsContact O-CD 3.23Å; L63-K67 WeakPolarHBondContact O-CD 3.34Å; L63-K67 VanDerWaalsContact O-CE 3.28Å; L63-K67 WeakPolarHBondContact O-CE 3.44Å; L63-K67 PolarHBondContact O-NZ 3.42Å; G64-K67 PolarHBondContact O-N 2.98Å; G64-K67 VanDerWaalsContact O-N 3.09Å; P65-K67 PolarHBondContact O-N 2.94Å; K67-L69 PolarHBondContact O-N 3.26Å
68A95.3Very high96.8Very high83 Ų8349.4 Ų49.469%0.68629%0.293SS*.SBendtrans-60.1-30.5-175.100000113.8R62R62-A68 PolarHBondContact O-N 3.35Å
69L97.7Very high96.9Very high23 Ų2349.4 Ų49.412%0.1229%0.293CS..BIsolated β-bridgetrans-128143.3-176.7-58174.7000111.3L36 R62 L63 G64 K67 V74L36-L69 HydrophobicContact CB-CD1 4.29Å; L36-L69 HydrophobicContact CD2-CD1 4.02Å; R62-L69 PolarHBondContact O-N 3.14Å; L63-L69 CarbonylContact C-O 3.05Å; L63-L69 VanDerWaalsContact CA-O 3.27Å; L63-L69 WeakPolarHBondContact CA-O 3.04Å; L63-L69 HydrophobicContact CD1-CB 4.4Å; L63-L69 HydrophobicContact CD1-CD1 4.41Å; L63-L69 HydrophobicContact CG-CB 4.41Å; G64-L69 PolarHBondContact N-O 2.94Å; K67-L69 PolarHBondContact O-N 3.26Å; L69-V74 HydrophobicContact CD1-CG2 4.04Å
70R97.3Very high96.9Very high178 Ų17849.2 Ų49.267%0.67229%0.292SS*.  trans-79.3153.3166-53.9-173.9-62.1159.73.7109.6E72 A73R70-E72 VanDerWaalsContact CB-OE2 3.28Å; R70-E72 WeakPolarHBondContact CB-OE2 3.41Å; R70-E72 PolarHBondContact O-N 3.23Å; R70-A73 WeakPolarHBondContact O-CB 3.44Å; R70-A73 PolarHBondContact O-N 3.44Å; R70-A73 VanDerWaalsContact O-N 3.09Å
71R96.9Very high96.9Very high31 Ų3148.5 Ų48.512%0.11728%0.279CS..G310 helixtrans-59-38.4179.117057.8-171.387.8-3.2111.6A73 V74 Y105 D107R71-A73 PolarHBondContact O-N 2.89Å; R71-V74 PolarHBondContact NH1-O 2.8Å; R71-V74 PolarHBondContact O-N 3.31Å; R71-Y105 HydrophobicContact CG-CE1 3.98Å; R71-Y105 PolarHBondContact NH2-O 2.73Å; R71-D107 IonicContact CZ-OD2 2.76Å; R71-D107 VanDerWaalsContact CZ-OD2 3.27Å; R71-D107 IonicContact NH1-OD1 3.75Å; R71-D107 IonicContact NH1-OD2 2.64Å; R71-D107 PolarHBondContact NH1-OD2 3.44Å; R71-D107 IonicContact NH2-OD2 3.56Å; R71-D107 PolarHBondContact NH2-OD2 3.35Å
72E96.4Very high97Very high109 Ų10944 Ų4451%0.50926%0.255SS..G310 helixtrans-71.5-11.4-177.8-5069.5-144.600112.6R70R70-E72 VanDerWaalsContact CB-OE2 3.28Å; R70-E72 WeakPolarHBondContact CB-OE2 3.41Å; R70-E72 PolarHBondContact O-N 3.23Å
73A96.5Very high97Very high39 Ų3941.2 Ų41.232%0.32225%0.245SC..G310 helixtrans-82.2-14.5177.700000112.9R41 R70 R71R41-A73 WeakPolarHBondContact CB-O 3.49Å; R41-A73 VanDerWaalsContact CD-O 3.29Å; R41-A73 WeakPolarHBondContact CD-O 3.45Å; R70-A73 WeakPolarHBondContact O-CB 3.44Å; R70-A73 PolarHBondContact O-N 3.44Å; R70-A73 VanDerWaalsContact O-N 3.09Å; R71-A73 PolarHBondContact O-N 2.89Å
74V98.4Very high97.1Very high2 Ų242.7 Ų42.71%0.01225%0.252CS..SBendtrans-119.7126.3-176.3-167.40000109.1L36 R41 I43 L63 L69 R71 L76L36-V74 HydrophobicContact CD2-CG1 4.06Å; L36-V74 HydrophobicContact CD2-CG2 4.16Å; R41-V74 CarbonylContact O-C 3.59Å; R41-V74 WeakPolarHBondContact O-CA 3.4Å; I43-V74 HydrophobicContact CG1-CG1 4.28Å; L63-V74 HydrophobicContact CD1-CG2 4.15Å; L63-V74 HydrophobicContact CD2-CB 4.11Å; L63-V74 HydrophobicContact CD2-CG2 4Å; L63-V74 HydrophobicContact CG-CG2 4.08Å; L69-V74 HydrophobicContact CD1-CG2 4.04Å; R71-V74 PolarHBondContact NH1-O 2.8Å; R71-V74 PolarHBondContact O-N 3.31Å; V74-L76 HydrophobicContact CB-CD2 3.85Å; V74-L76 HydrophobicContact CG1-CD2 3.43Å; V74-L76 VanDerWaalsContact CG1-CD2 3.43Å
75F98.8Very high97.4Very high13 Ų1341.7 Ų41.76%0.05724%0.242CC..EExtended strand (participates in β ladder)trans-86.9118.3176.8-166-76.3000110.1L7 K12 I13 R41 H42 I43 D107 L108L7-F75 HydrophobicContact CD1-CE2 4.17Å; L7-F75 HydrophobicContact CD1-CZ 4.04Å; K12-F75 WeakPolarHBondContact O-CD2 3.48Å; I13-F75 HydrophobicContact CB-CD2 4.27Å; I13-F75 HydrophobicContact CB-CE2 3.97Å; I13-F75 HydrophobicContact CB-CZ 4.1Å; I13-F75 HydrophobicContact CD1-CD1 4.26Å; I13-F75 HydrophobicContact CD1-CE1 3.75Å; I13-F75 HydrophobicContact CD1-CZ 3.97Å; I13-F75 HydrophobicContact CG1-CD1 4.07Å; I13-F75 HydrophobicContact CG1-CD2 4.38Å; I13-F75 HydrophobicContact CG1-CE1 3.95Å; I13-F75 HydrophobicContact CG1-CE2 4.26Å; I13-F75 HydrophobicContact CG1-CG 4.29Å; I13-F75 HydrophobicContact CG1-CZ 4.05Å; R41-F75 WeakPolarHBondContact O-CB 3.2Å; R41-F75 PolarHBondContact O-N 3.14Å; H42-F75 VanDerWaalsContact CA-O 3.27Å; H42-F75 WeakPolarHBondContact CA-O 3.17Å; H42-F75 HydrophobicContact CB-CB 4.36Å; H42-F75 AromaticContact CD2-CD1 3.86Å; I43-F75 PolarHBondContact N-O 3.46Å; F75-D107 WeakPolarHBondContact CA-OD2 3.44Å; F75-D107 HydrophobicContact CD1-CB 3.9Å; F75-D107 HydrophobicContact CD2-CB 3.7Å; F75-D107 HydrophobicContact CE1-CB 3.93Å; F75-D107 HydrophobicContact CE2-CB 3.74Å; F75-D107 HydrophobicContact CG-CB 3.78Å; F75-D107 HydrophobicContact CZ-CB 3.85Å; F75-L108 HydrophobicContact CE1-CB 3.59Å; F75-L108 HydrophobicContact CE1-CD2 4.07Å; F75-L108 HydrophobicContact CZ-CB 3.79Å; F75-L108 HydrophobicContact CZ-CD2 4.33Å
76L98.9Very high97.7Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-112.1123.8-178-83.5-70.6000111.1I43 L59 V74 L103 L106 D107 L108I43-L76 HydrophobicContact CB-CD1 3.85Å; I43-L76 HydrophobicContact CG1-CD1 4.45Å; I43-L76 HydrophobicContact CG2-CD1 4.42Å; L59-L76 HydrophobicContact CD1-CD1 3.69Å; L59-L76 HydrophobicContact CD1-CG 4.21Å; L59-L76 HydrophobicContact CD2-CD1 4.42Å; V74-L76 HydrophobicContact CB-CD2 3.85Å; V74-L76 HydrophobicContact CG1-CD2 3.43Å; V74-L76 VanDerWaalsContact CG1-CD2 3.43Å; L76-L103 HydrophobicContact CB-CD1 4.22Å; L76-L103 HydrophobicContact CG-CD1 3.93Å; L76-L106 HydrophobicContact CB-CD2 4.18Å; L76-D107 PolarHBondContact N-OD2 2.84Å; L76-D107 PolarHBondContact O-N 2.88Å; L76-L108 PolarHBondContact O-N 3.05Å; L76-L108 VanDerWaalsContact O-N 3.12Å
77T98.9Very high98Very high1 Ų135.4 Ų35.41%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-108.8132.6174.9-55.80000109.8H42 I43 C45 L108 L110H42-T77 PolarHBondContact NE2-OG1 3.28Å; I43-T77 PolarHBondContact O-N 3.49Å; C45-T77 WeakPolarHBondContact CA-O 3.26Å; C45-T77 VanDerWaalsContact CB-O 3.32Å; C45-T77 WeakPolarHBondContact CB-O 3.4Å; C45-T77 PolarHBondContact N-O 2.87Å; T77-L108 VanDerWaalsContact CA-O 3.32Å; T77-L108 WeakPolarHBondContact CA-O 3.49Å; T77-L108 HydrophobicContact CG2-CB 4.19Å; T77-L108 HydrophobicContact CG2-CD2 3.96Å; T77-L108 HydrophobicContact CG2-CG 4.06Å; T77-L110 HydrophobicContact CG2-CD1 3.85Å; T77-L110 HydrophobicContact CG2-CG 4.01Å
78S98.9Very high98.2Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-131.5177.2163.1-171.30000110.8C45 E52 L108 Y109 L110C45-S78 WeakPolarHBondContact O-CA 3.28Å; E52-S78 WeakPolarHBondContact OE1-CB 3.5Å; E52-S78 PolarHBondContact OE1-OG 3.2Å; S78-L108 PolarHBondContact N-O 3.23Å; S78-L108 VanDerWaalsContact N-O 3.09Å; S78-Y109 VanDerWaalsContact C-CD2 3.49Å; S78-Y109 WeakPolarHBondContact O-CA 3.44Å; S78-Y109 WeakPolarHBondContact O-CD2 3.46Å; S78-L110 PolarHBondContact O-N 2.97Å
79K98.9Very high98.3Very high0 Ų034.5 Ų34.50%017%0.167CC..EExtended strand (participates in β ladder)trans-139135.2-171-41.6-175.3-179.572.80112.5D44 C45 A46 Y49 L110 H112D44-K79 IonicContact OD1-NZ 2.83Å; D44-K79 PolarHBondContact OD1-NZ 3.3Å; D44-K79 IonicContact OD2-NZ 3.57Å; D44-K79 PolarHBondContact OD2-NZ 2.85Å; C45-K79 WeakPolarHBondContact O-CG 3.36Å; C45-K79 PolarHBondContact O-NZ 3.29Å; A46-K79 HydrophobicContact CB-CB 3.86Å; A46-K79 HydrophobicContact CB-CD 3.98Å; A46-K79 HydrophobicContact CB-CG 3.83Å; Y49-K79 PolarHBondContact OH-NZ 3.21Å; K79-L110 CarbonylContact C-O 3.55Å; K79-L110 WeakPolarHBondContact CA-O 3.43Å; K79-L110 HydrophobicContact CB-CB 4.42Å; K79-L110 HydrophobicContact CG-CB 4.12Å; K79-L110 HydrophobicContact CG-CD1 4.47Å; K79-H112 HydrophobicContact CB-CB 3.91Å; K79-H112 HydrophobicContact CD-CB 4.47Å
80L98.9Very high98.4Very high0 Ų033.5 Ų33.50%016%0.162CC..EExtended strand (participates in β ladder)trans-71.9122.2169-175.472000109.4Q84 V90 A93 Y109 L110 H112 T142 M146L80-Q84 HydrophobicContact CD1-CB 3.61Å; L80-Q84 HydrophobicContact CG-CB 4.27Å; L80-V90 HydrophobicContact CD2-CG1 4.4Å; L80-V90 HydrophobicContact CD2-CG2 3.96Å; L80-A93 HydrophobicContact CD1-CB 3.62Å; L80-Y109 WeakPolarHBondContact CA-OH 3.3Å; L80-Y109 HydrophobicContact CB-CE1 3.77Å; L80-Y109 HydrophobicContact CD1-CE1 4.2Å; L80-L110 PolarHBondContact N-O 2.71Å; L80-H112 WeakPolarHBondContact O-CB 3.07Å; L80-H112 PolarHBondContact O-N 2.78Å; L80-T142 HydrophobicContact CD2-CG2 3.43Å; L80-T142 VanDerWaalsContact CD2-CG2 3.43Å; L80-M146 HydrophobicContact CD2-CG 4.39Å; L80-M146 HydrophobicContact CD2-SD 4.17Å
81W98.8Very high98.5Very high33 Ų3327.3 Ų27.313%0.12514%0.141CC..  trans-85.6158.4-178.5-174.5-114.7000112.8A48 T83 Q84 H85 H112 W113 F117 L123 M124A48-W81 HydrophobicContact CB-CB 4.36Å; A48-W81 HydrophobicContact CB-CD2 3.44Å; A48-W81 VanDerWaalsContact CB-CD2 3.44Å; A48-W81 HydrophobicContact CB-CE3 3.33Å; A48-W81 HydrophobicContact CB-CG 3.92Å; A48-W81 HydrophobicContact CB-CH2 4.27Å; A48-W81 HydrophobicContact CB-CZ2 4.39Å; A48-W81 HydrophobicContact CB-CZ3 3.76Å; W81-T83 PolarHBondContact O-N 3.27Å; W81-T83 VanDerWaalsContact O-N 3.09Å; W81-Q84 WeakPolarHBondContact O-CB 3.46Å; W81-Q84 PolarHBondContact O-N 3.24Å; W81-H85 PolarHBondContact O-CD2 3.35Å; W81-H112 HydrophobicContact CE3-CB 4.16Å; W81-H112 AromaticContact CE3-CE1 3.94Å; W81-H112 AromaticContact CE3-CG 3.85Å; W81-H112 AromaticContact CE3-ND1 3.39Å; W81-H112 AromaticContact CZ3-CE1 3.79Å; W81-H112 AromaticContact CZ3-CG 3.99Å; W81-H112 AromaticContact CZ3-ND1 3.66Å; W81-W113 AromaticContact CZ3-CD1 3.95Å; W81-F117 HydrophobicContact CZ2-CE2 4.24Å; W81-L123 HydrophobicContact CG-CD2 4.23Å; W81-L123 PolarHBondContact NE1-O 2.87Å; W81-M124 HydrophobicContact CZ2-CG 4.42Å
82N98.7Very high98.5Very high2 Ų230.3 Ų30.31%0.01116%0.163CC..G310 helixtrans-55.9-31.2-170.2-59.321.1000114.2Q84 H85 W113 M115 F117N82-Q84 PolarHBondContact O-N 2.97Å; N82-H85 PolarHBondContact O-CD2 2.91Å; N82-W113 VanDerWaalsContact OD1-CD1 3.26Å; N82-M115 WeakPolarHBondContact CB-O 3.49Å; N82-M115 PolarHBondContact ND2-O 3.18Å; N82-F117 HydrophobicContact CB-CB 3.98Å; N82-F117 HydrophobicContact CB-CD1 3.9Å; N82-F117 HydrophobicContact CB-CD2 3.59Å; N82-F117 HydrophobicContact CB-CE1 4.22Å; N82-F117 HydrophobicContact CB-CE2 3.95Å; N82-F117 HydrophobicContact CB-CG 3.55Å; N82-F117 HydrophobicContact CB-CZ 4.25Å; N82-F117 WeakPolarHBondContact ND2-CE1 3.46Å; N82-F117 WeakPolarHBondContact ND2-CZ 3.47Å; N82-F117 PolarHBondContact O-N 2.8Å
83T98.6Very high98.7Very high4 Ų425.7 Ų25.73%0.02514%0.143CC..G310 helixtrans-790.6177.854.90000114.6W81 F117 Q118 E122 P125W81-T83 PolarHBondContact O-N 3.27Å; W81-T83 VanDerWaalsContact O-N 3.09Å; T83-F117 HydrophobicContact CG2-CB 3.59Å; T83-F117 HydrophobicContact CG2-CD2 4.39Å; T83-Q118 WeakPolarHBondContact CG2-O 3.41Å; T83-E122 VanDerWaalsContact CG2-O 3.28Å; T83-E122 WeakPolarHBondContact CG2-O 3.12Å; T83-P125 HydrophobicContact CG2-CG 4.04Å
84Q98.7Very high98.8Very high43 Ų4323.9 Ų23.920%0.20113%0.128CC..G310 helixtrans-120.122.1-175-52.6-63.4-61.300111.8L80 W81 N82 H86 D89 A93 G120L80-Q84 HydrophobicContact CD1-CB 3.61Å; L80-Q84 HydrophobicContact CG-CB 4.27Å; W81-Q84 WeakPolarHBondContact O-CB 3.46Å; W81-Q84 PolarHBondContact O-N 3.24Å; N82-Q84 PolarHBondContact O-N 2.97Å; Q84-H86 VanDerWaalsContact C-N 3.32Å; Q84-D89 HydrophobicContact CB-CB 4.38Å; Q84-A93 HydrophobicContact CB-CB 3.87Å; Q84-A93 HydrophobicContact CG-CB 3.93Å; Q84-G120 PolarHBondContact NE2-O 3.29Å
85H98.8Very high98.8Very high1 Ų128.9 Ų28.91%0.00515%0.146CC..  trans-73.9-21.6-177.6-85.4-137.7000113.9W81 N82 W113 M115 A116 I137 T142W81-H85 PolarHBondContact O-CD2 3.35Å; N82-H85 PolarHBondContact O-CD2 2.91Å; H85-W113 PolarHBondContact CE1-O 3.23Å; H85-W113 PolarHBondContact NE2-O 2.9Å; H85-M115 PolarHBondContact CE1-O 3.13Å; H85-A116 HydrophobicContact CB-CB 3.68Å; H85-I137 HydrophobicContact CB-CG2 4.2Å; H85-T142 HydrophobicContact CB-CG2 4.29Å; H85-T142 WeakPolarHBondContact O-CB 3.48Å; H85-T142 WeakPolarHBondContact O-CG2 3.39Å; H85-T142 PolarHBondContact O-OG1 3.08Å
86H98.7Very high98.8Very high51 Ų5134.3 Ų34.324%0.23617%0.17CC..SBendtrans-64.9136-179.6-170-81.2000110.2Q84 D88 D89 V90 R119 I137Q84-H86 VanDerWaalsContact C-N 3.32Å; H86-D88 VanDerWaalsContact C-N 3.26Å; H86-D88 IonicContact CE1-OD2 2.93Å; H86-D88 PolarHBondContact CE1-OD2 3.37Å; H86-D88 PolarHBondContact ND1-N 2.83Å; H86-D88 IonicContact ND1-OD2 2.76Å; H86-D88 PolarHBondContact O-N 2.89Å; H86-D88 VanDerWaalsContact O-N 3.08Å; H86-D89 PolarHBondContact O-N 3.16Å; H86-V90 PolarHBondContact O-N 2.93Å; H86-R119 VanDerWaalsContact CB-CD 3.5Å; H86-R119 HydrophobicContact CB-CG 4.12Å; H86-R119 PolarHBondContact CD2-NH1 3.32Å; H86-R119 PolarHBondContact CE1-NH1 3.2Å; H86-R119 PolarHBondContact ND1-NH1 3.34Å; H86-R119 VanDerWaalsContact ND1-NH1 3.15Å; H86-R119 PolarHBondContact ND1-NH2 3.21Å; H86-R119 VanDerWaalsContact ND1-NH2 3.14Å; H86-R119 PolarHBondContact NE2-NH1 3.48Å; H86-R119 VanDerWaalsContact NE2-NH1 3.11Å; H86-I137 HydrophobicContact CB-CD1 3.64Å
87P98.8Very high98.8Very high46 Ų4634.4 Ų34.430%0.29917%0.171SC..Hα-helixtrans-46.5-44.9-175.8-34.337.8000115D89 V90 E141 A145P87-D89 PolarHBondContact O-N 2.97Å; P87-V90 PolarHBondContact O-N 2.67Å; P87-E141 HydrophobicContact CG-CB 4.34Å; P87-A145 HydrophobicContact CB-CB 3.94Å
88D98.6Very high98.8Very high116 Ų11634.8 Ų34.862%0.6217%0.173SC*.Hα-helixtrans-64-22.1179.5-57.2-23.1000115.1H86H86-D88 VanDerWaalsContact C-N 3.26Å; H86-D88 IonicContact CE1-OD2 2.93Å; H86-D88 PolarHBondContact CE1-OD2 3.37Å; H86-D88 PolarHBondContact ND1-N 2.83Å; H86-D88 IonicContact ND1-OD2 2.76Å; H86-D88 PolarHBondContact O-N 2.89Å; H86-D88 VanDerWaalsContact O-N 3.08Å
89D98.7Very high98.8Very high33 Ų3341 Ų4118%0.17621%0.205CC..Hα-helixtrans-91.9-22.9-177-63.8-22.8000112.7Q84 H86 P87 E91 T92 A93 R119Q84-D89 HydrophobicContact CB-CB 4.38Å; H86-D89 PolarHBondContact O-N 3.16Å; P87-D89 PolarHBondContact O-N 2.97Å; D89-E91 PolarHBondContact O-N 3.23Å; D89-T92 PolarHBondContact O-N 3.08Å; D89-T92 VanDerWaalsContact O-N 3.16Å; D89-A93 WeakPolarHBondContact O-CB 3.29Å; D89-A93 PolarHBondContact O-N 3.25Å; D89-R119 IonicContact OD1-CZ 2.85Å; D89-R119 IonicContact OD1-NE 3.33Å; D89-R119 IonicContact OD1-NH2 3.74Å; D89-R119 PolarHBondContact OD1-NH2 3.21Å; D89-R119 IonicContact OD2-CZ 3.29Å; D89-R119 IonicContact OD2-NE 2.89Å; D89-R119 PolarHBondContact OD2-NE 3.47Å; D89-R119 IonicContact OD2-NH2 2.97Å; D89-R119 PolarHBondContact OD2-NH2 3.12Å
90V98.9Very high98.8Very high1 Ų144.1 Ų44.11%0.00622%0.219CC..Hα-helixtrans-56.6-48.2-170.7172.60000112.2L80 H86 P87 C94 T142 A145 M146 L149L80-V90 HydrophobicContact CD2-CG1 4.4Å; L80-V90 HydrophobicContact CD2-CG2 3.96Å; H86-V90 PolarHBondContact O-N 2.93Å; P87-V90 PolarHBondContact O-N 2.67Å; V90-C94 WeakPolarHBondContact O-CB 3.35Å; V90-C94 PolarHBondContact O-N 3.27Å; V90-T142 HydrophobicContact CG2-CG2 4.01Å; V90-A145 HydrophobicContact CB-CB 3.99Å; V90-A145 HydrophobicContact CG1-CB 4.26Å; V90-A145 HydrophobicContact CG2-CB 3.78Å; V90-M146 HydrophobicContact CG1-CB 4.43Å; V90-M146 HydrophobicContact CG1-CG 3.67Å; V90-L149 HydrophobicContact CG1-CD1 3.82Å; V90-L149 HydrophobicContact CG1-CD2 4.44Å; V90-L149 HydrophobicContact CG1-CG 4.26Å
91E98.9Very high98.8Very high49 Ų4944.2 Ų44.223%0.22922%0.219CC..Hα-helixtrans-68.5-42.3178.9-179.2172.8170.400112.2D89 A93 C94 R95 L149 K152 L154D89-E91 PolarHBondContact O-N 3.23Å; E91-A93 VanDerWaalsContact C-N 3.3Å; E91-A93 PolarHBondContact O-N 3.15Å; E91-C94 PolarHBondContact O-N 3.3Å; E91-R95 HydrophobicContact CG-CG 4.25Å; E91-R95 WeakPolarHBondContact O-CB 3.45Å; E91-R95 WeakPolarHBondContact O-CG 3.26Å; E91-R95 PolarHBondContact O-N 3.15Å; E91-R95 IonicContact OE1-CZ 3.31Å; E91-R95 IonicContact OE1-NE 2.89Å; E91-R95 PolarHBondContact OE1-NE 2.87Å; E91-R95 IonicContact OE1-NH2 2.67Å; E91-R95 PolarHBondContact OE1-NH2 3.29Å; E91-L149 HydrophobicContact CB-CD2 3.8Å; E91-L149 HydrophobicContact CG-CD2 4.05Å; E91-K152 IonicContact OE1-NZ 3.21Å; E91-K152 IonicContact OE2-NZ 3.62Å; E91-K152 PolarHBondContact OE2-NZ 3.02Å; E91-L154 HydrophobicContact CG-CD1 3.99Å
92T98.7Very high98.7Very high94 Ų9445.7 Ų45.758%0.57725%0.245SC*.Hα-helixtrans-59.9-43.8178.3-60.30000110.6D89 R95 K96D89-T92 PolarHBondContact O-N 3.08Å; D89-T92 VanDerWaalsContact O-N 3.16Å; T92-R95 PolarHBondContact O-N 3.34Å; T92-K96 WeakPolarHBondContact O-CB 3.33Å; T92-K96 PolarHBondContact O-N 2.95Å
93A98.8Very high98.7Very high12 Ų1246.6 Ų46.610%0.09925%0.25CC..Hα-helixtrans-63.6-46.1176.100000112.2L80 Q84 D89 E91 R95 K96 S97L80-A93 HydrophobicContact CD1-CB 3.62Å; Q84-A93 HydrophobicContact CB-CB 3.87Å; Q84-A93 HydrophobicContact CG-CB 3.93Å; D89-A93 WeakPolarHBondContact O-CB 3.29Å; D89-A93 PolarHBondContact O-N 3.25Å; E91-A93 VanDerWaalsContact C-N 3.3Å; E91-A93 PolarHBondContact O-N 3.15Å; A93-R95 PolarHBondContact O-N 3.11Å; A93-K96 WeakPolarHBondContact O-CB 3.4Å; A93-K96 PolarHBondContact O-N 2.77Å; A93-S97 PolarHBondContact O-N 3.33Å; A93-S97 VanDerWaalsContact O-N 3.12Å
94C98.9Very high98.7Very high0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-60.8-45.3176.7-177.70000111.8V90 E91 K96 S97 L98 Y109 L149V90-C94 WeakPolarHBondContact O-CB 3.35Å; V90-C94 PolarHBondContact O-N 3.27Å; E91-C94 PolarHBondContact O-N 3.3Å; C94-K96 VanDerWaalsContact C-N 3.31Å; C94-K96 PolarHBondContact O-N 2.84Å; C94-S97 PolarHBondContact O-N 2.96Å; C94-L98 WeakPolarHBondContact O-CG 3.34Å; C94-L98 PolarHBondContact O-N 3.31Å; C94-Y109 HydrophobicContact CB-CD1 4.39Å; C94-Y109 HydrophobicContact CB-CE1 3.83Å; C94-L149 HydrophobicContact CB-CD1 3.82Å; C94-L149 HydrophobicContact CB-CD2 4.23Å
95R98.9Very high98.7Very high107 Ų10753 Ų5340%0.40428%0.283SS..Hα-helixtrans-63.5-36.8177.7-73.1-178-179.8-73.9-0.8112E91 T92 A93 L98 I99 L154E91-R95 HydrophobicContact CG-CG 4.25Å; E91-R95 WeakPolarHBondContact O-CB 3.45Å; E91-R95 WeakPolarHBondContact O-CG 3.26Å; E91-R95 PolarHBondContact O-N 3.15Å; E91-R95 IonicContact OE1-CZ 3.31Å; E91-R95 IonicContact OE1-NE 2.89Å; E91-R95 PolarHBondContact OE1-NE 2.87Å; E91-R95 IonicContact OE1-NH2 2.67Å; E91-R95 PolarHBondContact OE1-NH2 3.29Å; T92-R95 PolarHBondContact O-N 3.34Å; A93-R95 PolarHBondContact O-N 3.11Å; R95-L98 WeakPolarHBondContact O-CB 3.27Å; R95-L98 PolarHBondContact O-N 3.06Å; R95-I99 VanDerWaalsContact O-CG1 3.28Å; R95-I99 WeakPolarHBondContact O-CG1 3.4Å; R95-I99 PolarHBondContact O-N 3.29Å; R95-L154 HydrophobicContact CG-CD1 4.27Å
96K98.8Very high98.7Very high128 Ų12853 Ų5356%0.55728%0.283SS*.Hα-helixtrans-60.9-45.6174.3-174.4174.9178.61780111.6T92 A93 C94 I99 H100T92-K96 WeakPolarHBondContact O-CB 3.33Å; T92-K96 PolarHBondContact O-N 2.95Å; A93-K96 WeakPolarHBondContact O-CB 3.4Å; A93-K96 PolarHBondContact O-N 2.77Å; C94-K96 VanDerWaalsContact C-N 3.31Å; C94-K96 PolarHBondContact O-N 2.84Å; K96-I99 PolarHBondContact O-N 3.3Å; K96-H100 PolarHBondContact O-N 3.09Å
97S98.9Very high98.7Very high1 Ų151.1 Ų51.11%0.00728%0.275CS..Hα-helixtrans-61.6-43173.4-71.50000112.3E52 A93 C94 I99 H100 L101E52-S97 PolarHBondContact OE1-OG 3.11Å; E52-S97 WeakPolarHBondContact OE2-CA 3.38Å; E52-S97 VanDerWaalsContact OE2-CB 3.27Å; E52-S97 WeakPolarHBondContact OE2-CB 3.46Å; E52-S97 PolarHBondContact OE2-OG 2.8Å; A93-S97 PolarHBondContact O-N 3.33Å; A93-S97 VanDerWaalsContact O-N 3.12Å; C94-S97 PolarHBondContact O-N 2.96Å; S97-I99 VanDerWaalsContact C-N 3.34Å; S97-I99 PolarHBondContact O-N 3.23Å; S97-H100 PolarHBondContact O-N 3.21Å; S97-L101 WeakPolarHBondContact O-CB 3.37Å; S97-L101 WeakPolarHBondContact O-CD1 3.41Å; S97-L101 VanDerWaalsContact O-CG 3.26Å; S97-L101 WeakPolarHBondContact O-CG 3.33Å; S97-L101 PolarHBondContact O-N 2.97Å
98L98.9Very high98.8Very high10 Ų1049 Ų495%0.05226%0.261CS..Hα-helixtrans-58.2-43.9174.9-73.8172.7000112.4C94 R95 L101 G102 L103 Y105 L106 L154C94-L98 WeakPolarHBondContact O-CG 3.34Å; C94-L98 PolarHBondContact O-N 3.31Å; R95-L98 WeakPolarHBondContact O-CB 3.27Å; R95-L98 PolarHBondContact O-N 3.06Å; L98-L101 PolarHBondContact O-N 2.84Å; L98-G102 PolarHBondContact O-N 2.75Å; L98-L103 WeakPolarHBondContact CB-O 3.42Å; L98-L103 HydrophobicContact CD2-CB 3.99Å; L98-L103 PolarHBondContact O-N 3.23Å; L98-Y105 VanDerWaalsContact CD2-C 3.42Å; L98-L106 HydrophobicContact CD2-CD2 4.49Å; L98-L106 HydrophobicContact CD2-CG 3.84Å; L98-L154 HydrophobicContact CD1-CB 4.22Å; L98-L154 HydrophobicContact CD1-CD2 4.17Å
99I98.9Very high98.8Very high130 Ų13043.5 Ų43.567%0.66723%0.231SC*.Hα-helixtrans-62-50.5176.6-70.7163.1000110.6R95 K96 S97 L101 G102R95-I99 VanDerWaalsContact O-CG1 3.28Å; R95-I99 WeakPolarHBondContact O-CG1 3.4Å; R95-I99 PolarHBondContact O-N 3.29Å; K96-I99 PolarHBondContact O-N 3.3Å; S97-I99 VanDerWaalsContact C-N 3.34Å; S97-I99 PolarHBondContact O-N 3.23Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 2.82Å; I99-G102 PolarHBondContact O-N 3.44Å; I99-G102 VanDerWaalsContact O-N 3.09Å
100H98.7Very high98.8Very high66 Ų6641.9 Ų41.931%0.30622%0.223SC..Hα-helixtrans-60.4-41.3179.6-69.4170000112E52 Q53 K96 S97 G102E52-H100 HydrophobicContact CB-CB 3.85Å; Q53-H100 WeakPolarHBondContact CA-O 3.4Å; Q53-H100 HydrophobicContact CB-CB 4.42Å; K96-H100 PolarHBondContact O-N 3.09Å; S97-H100 PolarHBondContact O-N 3.21Å; H100-G102 PolarHBondContact O-N 2.85Å
101L98.8Very high98.8Very high1 Ų141.9 Ų41.91%0.00522%0.223CC..Hα-helixtrans-76.8-10.6179-65.9165.8000113E52 V55 G56 L59 S97 L98 I99 L103 L106E52-L101 HydrophobicContact CB-CD2 4.03Å; E52-L101 HydrophobicContact CB-CG 4.16Å; E52-L101 HydrophobicContact CG-CD2 4.41Å; E52-L101 WeakPolarHBondContact O-CD2 3.15Å; V55-L101 HydrophobicContact CB-CD2 3.96Å; V55-L101 HydrophobicContact CG1-CD2 3.77Å; G56-L101 VanDerWaalsContact CA-O 3.25Å; G56-L101 WeakPolarHBondContact CA-O 3.48Å; L59-L101 HydrophobicContact CD1-CD2 4.37Å; S97-L101 WeakPolarHBondContact O-CB 3.37Å; S97-L101 WeakPolarHBondContact O-CD1 3.41Å; S97-L101 VanDerWaalsContact O-CG 3.26Å; S97-L101 WeakPolarHBondContact O-CG 3.33Å; S97-L101 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 2.84Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 2.82Å; L101-L103 HydrophobicContact CB-CB 4.44Å; L101-L103 HydrophobicContact CB-CD1 3.75Å; L101-L103 HydrophobicContact CB-CG 3.74Å; L101-L103 HydrophobicContact CD1-CD1 4.24Å; L101-L106 HydrophobicContact CD1-CD2 3.73Å
102G98.4Very high98.8Very high65 Ų6540.2 Ų40.267%0.6722%0.215SC*.THydrogen-bonded Turntrans65.137.5-17500000113.1L98 I99 H100L98-G102 PolarHBondContact O-N 2.75Å; I99-G102 PolarHBondContact O-N 3.44Å; I99-G102 VanDerWaalsContact O-N 3.09Å; H100-G102 PolarHBondContact O-N 2.85Å
103L98.5Very high98.8Very high21 Ų2136.6 Ų36.611%0.1119%0.191CC..  trans-119.5153.1-173.5-57.9180000112.1L59 L76 L98 L101 L106L59-L103 HydrophobicContact CD1-CD1 4.35Å; L59-L103 HydrophobicContact CD1-CD2 4.45Å; L76-L103 HydrophobicContact CB-CD1 4.22Å; L76-L103 HydrophobicContact CG-CD1 3.93Å; L98-L103 WeakPolarHBondContact CB-O 3.42Å; L98-L103 HydrophobicContact CD2-CB 3.99Å; L98-L103 PolarHBondContact O-N 3.23Å; L101-L103 HydrophobicContact CB-CB 4.44Å; L101-L103 HydrophobicContact CB-CD1 3.75Å; L101-L103 HydrophobicContact CB-CG 3.74Å; L101-L103 HydrophobicContact CD1-CD1 4.24Å; L103-L106 HydrophobicContact CD1-CD2 4.22Å
104N98.3Very high98.8Very high149 Ų14936 Ų3680%0.79719%0.186SC*.SBendtrans-90.6-22.3171.3-63.6-32.3000112.8
105Y98.8Very high98.7Very high32 Ų3236 Ų3613%0.12519%0.186CC..  trans-151.5156.7176.871.5-89.5000112R71 L98 L154 R156R71-Y105 HydrophobicContact CG-CE1 3.98Å; R71-Y105 PolarHBondContact NH2-O 2.73Å; L98-Y105 VanDerWaalsContact CD2-C 3.42Å; Y105-L154 CarbonylContact C-O 3.59Å; Y105-L154 WeakPolarHBondContact CA-O 3.42Å; Y105-R156 HydrophobicContact CD2-CG 3.97Å; Y105-R156 HydrophobicContact CE2-CG 4.16Å; Y105-R156 PolarHBondContact OH-NH2 3.04Å
106L98.9Very high98.7Very high0 Ų031 Ų310%017%0.167CC..BIsolated β-bridgetrans-101148.1166.1-67.9168.7000110.7L76 L98 L101 L103 Y109 L154 V155 R156L76-L106 HydrophobicContact CB-CD2 4.18Å; L98-L106 HydrophobicContact CD2-CD2 4.49Å; L98-L106 HydrophobicContact CD2-CG 3.84Å; L101-L106 HydrophobicContact CD1-CD2 3.73Å; L103-L106 HydrophobicContact CD1-CD2 4.22Å; L106-Y109 HydrophobicContact CD1-CD2 3.56Å; L106-Y109 HydrophobicContact CD1-CE2 4.17Å; L106-Y109 HydrophobicContact CD1-CG 4.23Å; L106-L154 PolarHBondContact N-O 3.32Å; L106-V155 HydrophobicContact CB-CG1 4.21Å; L106-V155 CarbonylContact O-C 3.38Å; L106-V155 VanDerWaalsContact O-CA 3.31Å; L106-V155 WeakPolarHBondContact O-CA 3.27Å; L106-R156 PolarHBondContact O-N 3.36Å
107D98.9Very high98.7Very high13 Ų1324.9 Ų24.97%0.0714%0.141CC..SBendtrans-76.1-32.4173.4-60.6-84.9000110.8R71 F75 L76 R156 A157R71-D107 IonicContact CZ-OD2 2.76Å; R71-D107 VanDerWaalsContact CZ-OD2 3.27Å; R71-D107 IonicContact NH1-OD1 3.75Å; R71-D107 IonicContact NH1-OD2 2.64Å; R71-D107 PolarHBondContact NH1-OD2 3.44Å; R71-D107 IonicContact NH2-OD2 3.56Å; R71-D107 PolarHBondContact NH2-OD2 3.35Å; F75-D107 WeakPolarHBondContact CA-OD2 3.44Å; F75-D107 HydrophobicContact CD1-CB 3.9Å; F75-D107 HydrophobicContact CD2-CB 3.7Å; F75-D107 HydrophobicContact CE1-CB 3.93Å; F75-D107 HydrophobicContact CE2-CB 3.74Å; F75-D107 HydrophobicContact CG-CB 3.78Å; F75-D107 HydrophobicContact CZ-CB 3.85Å; L76-D107 PolarHBondContact N-OD2 2.84Å; L76-D107 PolarHBondContact O-N 2.88Å; D107-R156 IonicContact OD1-NE 3.22Å; D107-A157 PolarHBondContact O-N 3.07Å
108L98.9Very high98.6Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-145.5135.2177.8-177.460.2000111.3F75 L76 T77 S78 L110 A157 V180 V181F75-L108 HydrophobicContact CE1-CB 3.59Å; F75-L108 HydrophobicContact CE1-CD2 4.07Å; F75-L108 HydrophobicContact CZ-CB 3.79Å; F75-L108 HydrophobicContact CZ-CD2 4.33Å; L76-L108 PolarHBondContact O-N 3.05Å; L76-L108 VanDerWaalsContact O-N 3.12Å; T77-L108 VanDerWaalsContact CA-O 3.32Å; T77-L108 WeakPolarHBondContact CA-O 3.49Å; T77-L108 HydrophobicContact CG2-CB 4.19Å; T77-L108 HydrophobicContact CG2-CD2 3.96Å; T77-L108 HydrophobicContact CG2-CG 4.06Å; S78-L108 PolarHBondContact N-O 3.23Å; S78-L108 VanDerWaalsContact N-O 3.09Å; L108-L110 HydrophobicContact CD1-CD2 3.74Å; L108-L110 HydrophobicContact CD2-CD2 3.84Å; L108-L110 HydrophobicContact CD2-CG 4.36Å; L108-L110 HydrophobicContact CG-CD2 3.63Å; L108-L110 HydrophobicContact CG-CG 4.14Å; L108-A157 WeakPolarHBondContact CA-O 3.32Å; L108-A157 HydrophobicContact CD1-CB 4.28Å; L108-V180 HydrophobicContact CD1-CG2 3.71Å; L108-V181 HydrophobicContact CD1-CB 4.48Å; L108-V181 HydrophobicContact CD2-CB 3.94Å; L108-V181 HydrophobicContact CD2-CG1 4.15Å; L108-V181 HydrophobicContact CD2-CG2 3.82Å
109Y98.9Very high98.6Very high1 Ų133.2 Ų33.20%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-126.2122.4171-164.1-125.6000110.8S78 L80 C94 L106 M146 L149 V155 A157 I158 G159S78-Y109 VanDerWaalsContact C-CD2 3.49Å; S78-Y109 WeakPolarHBondContact O-CA 3.44Å; S78-Y109 WeakPolarHBondContact O-CD2 3.46Å; L80-Y109 WeakPolarHBondContact CA-OH 3.3Å; L80-Y109 HydrophobicContact CB-CE1 3.77Å; L80-Y109 HydrophobicContact CD1-CE1 4.2Å; C94-Y109 HydrophobicContact CB-CD1 4.39Å; C94-Y109 HydrophobicContact CB-CE1 3.83Å; L106-Y109 HydrophobicContact CD1-CD2 3.56Å; L106-Y109 HydrophobicContact CD1-CE2 4.17Å; L106-Y109 HydrophobicContact CD1-CG 4.23Å; Y109-M146 HydrophobicContact CD1-CE 4.03Å; Y109-M146 WeakPolarHBondContact O-CE 3.41Å; Y109-L149 HydrophobicContact CD1-CD1 3.72Å; Y109-L149 HydrophobicContact CE1-CD1 3.96Å; Y109-V155 HydrophobicContact CG-CG1 4.25Å; Y109-A157 PolarHBondContact N-O 3Å; Y109-I158 VanDerWaalsContact O-CA 3.26Å; Y109-I158 WeakPolarHBondContact O-CA 3.29Å; Y109-G159 PolarHBondContact O-N 3.47Å; Y109-G159 VanDerWaalsContact O-N 3.07Å
110L99Very high98.3Very high0 Ų028.8 Ų28.80%016%0.162CC..EExtended strand (participates in β ladder)trans-106.1144.7-173.2-54179.4000111.6T77 S78 K79 L80 L108 H112 G159 V181 Q183T77-L110 HydrophobicContact CG2-CD1 3.85Å; T77-L110 HydrophobicContact CG2-CG 4.01Å; S78-L110 PolarHBondContact O-N 2.97Å; K79-L110 CarbonylContact C-O 3.55Å; K79-L110 WeakPolarHBondContact CA-O 3.43Å; K79-L110 HydrophobicContact CB-CB 4.42Å; K79-L110 HydrophobicContact CG-CB 4.12Å; K79-L110 HydrophobicContact CG-CD1 4.47Å; L80-L110 PolarHBondContact N-O 2.71Å; L108-L110 HydrophobicContact CD1-CD2 3.74Å; L108-L110 HydrophobicContact CD2-CD2 3.84Å; L108-L110 HydrophobicContact CD2-CG 4.36Å; L108-L110 HydrophobicContact CG-CD2 3.63Å; L108-L110 HydrophobicContact CG-CG 4.14Å; L110-H112 PolarHBondContact O-N 2.82Å; L110-G159 VanDerWaalsContact CA-O 3.32Å; L110-G159 WeakPolarHBondContact CA-O 3.32Å; L110-G159 VanDerWaalsContact CD2-C 3.45Å; L110-G159 VanDerWaalsContact CD2-CA 3.48Å; L110-V181 HydrophobicContact CD2-CB 4.4Å; L110-V181 HydrophobicContact CD2-CG1 4.34Å; L110-Q183 HydrophobicContact CD1-CB 3.72Å; L110-Q183 HydrophobicContact CD1-CG 4.46Å
111M98.9Very high98Very high0 Ų032.1 Ų32.10%019%0.187CC..EExtended strand (participates in β ladder)trans-74.7116.1160.2-165.1-179.2-51.300108.3W113 Y139 T142 W143 M146 G159 S161 F163M111-W113 VanDerWaalsContact C-N 3.33Å; M111-W113 WeakPolarHBondContact CG-O 3.27Å; M111-W113 PolarHBondContact O-N 3.35Å; M111-Y139 WeakPolarHBondContact CE-O 3.44Å; M111-T142 HydrophobicContact CE-CG2 3.59Å; M111-T142 HydrophobicContact SD-CG2 4.14Å; M111-W143 HydrophobicContact CE-CB 4.44Å; M111-W143 HydrophobicContact CE-CE3 4.33Å; M111-M146 HydrophobicContact CB-CE 4.45Å; M111-M146 HydrophobicContact CB-SD 3.95Å; M111-M146 HydrophobicContact CE-SD 3.76Å; M111-M146 HydrophobicContact CG-SD 4.49Å; M111-G159 PolarHBondContact N-O 2.78Å; M111-S161 VanDerWaalsContact O-CB 3.29Å; M111-S161 WeakPolarHBondContact O-CB 3.46Å; M111-S161 PolarHBondContact O-N 2.94Å; M111-F163 HydrophobicContact CB-CE2 4.23Å; M111-F163 HydrophobicContact CB-CZ 4.46Å; M111-F163 HydrophobicContact CE-CZ 4.49Å; M111-F163 HydrophobicContact CG-CE2 4.36Å; M111-F163 HydrophobicContact CG-CZ 4.4Å; M111-F163 HydrophobicContact SD-CE2 4.16Å; M111-F163 HydrophobicContact SD-CZ 3.63Å
112H98.9Very high97.8Very high15 Ų1538 Ų387%0.06922%0.215CC..SBendtrans-67.1-34.7-167-155.6150.8000112.7Y49 K79 L80 W81 L110 S161 N162Y49-H112 AromaticContact CE1-CE1 3.66Å; K79-H112 HydrophobicContact CB-CB 3.91Å; K79-H112 HydrophobicContact CD-CB 4.47Å; L80-H112 WeakPolarHBondContact O-CB 3.07Å; L80-H112 PolarHBondContact O-N 2.78Å; W81-H112 HydrophobicContact CE3-CB 4.16Å; W81-H112 AromaticContact CE3-CE1 3.94Å; W81-H112 AromaticContact CE3-CG 3.85Å; W81-H112 AromaticContact CE3-ND1 3.39Å; W81-H112 AromaticContact CZ3-CE1 3.79Å; W81-H112 AromaticContact CZ3-CG 3.99Å; W81-H112 AromaticContact CZ3-ND1 3.66Å; L110-H112 PolarHBondContact O-N 2.82Å; H112-S161 CarbonylContact C-O 3.57Å; H112-S161 CarbonylContact O-C 3.59Å; H112-S161 VanDerWaalsContact O-CB 3.32Å; H112-S161 WeakPolarHBondContact O-CB 3.23Å; H112-S161 PolarHBondContact O-OG 2.81Å; H112-N162 PolarHBondContact O-ND2 3.09Å
113W98.8Very high97.6Very high18 Ų1838.1 Ų38.17%0.06820%0.199CC..  trans-144.7156.9175.7-70.187.4000109.3W81 N82 H85 M111 M115 N162 P300 P319 F320W81-W113 AromaticContact CZ3-CD1 3.95Å; N82-W113 VanDerWaalsContact OD1-CD1 3.26Å; H85-W113 PolarHBondContact CE1-O 3.23Å; H85-W113 PolarHBondContact NE2-O 2.9Å; M111-W113 VanDerWaalsContact C-N 3.33Å; M111-W113 WeakPolarHBondContact CG-O 3.27Å; M111-W113 PolarHBondContact O-N 3.35Å; W113-M115 HydrophobicContact CD2-CE 4.37Å; W113-M115 HydrophobicContact CE3-CE 3.79Å; W113-M115 HydrophobicContact CZ3-CE 4.39Å; W113-M115 PolarHBondContact O-N 3.13Å; W113-N162 HydrophobicContact CD2-CB 3.97Å; W113-N162 VanDerWaalsContact CE2-ND2 3.32Å; W113-N162 HydrophobicContact CE3-CB 3.5Å; W113-N162 VanDerWaalsContact CE3-CB 3.5Å; W113-N162 HydrophobicContact CH2-CB 4.18Å; W113-N162 WeakPolarHBondContact CZ2-ND2 3.26Å; W113-N162 HydrophobicContact CZ3-CB 3.62Å; W113-P300 HydrophobicContact CH2-CG 4.43Å; W113-P300 HydrophobicContact CZ2-CG 4.43Å; W113-P319 HydrophobicContact CE3-CG 4.32Å; W113-P319 HydrophobicContact CZ3-CG 4.19Å; W113-F320 AromaticContact CH2-CE2 3.82Å; W113-F320 HydrophobicContact CH2-CE2 3.82Å; W113-F320 AromaticContact CH2-CZ 3.94Å; W113-F320 HydrophobicContact CH2-CZ 3.94Å; W113-F320 AromaticContact CZ3-CE2 3.59Å; W113-F320 HydrophobicContact CZ3-CE2 3.59Å; W113-F320 AromaticContact CZ3-CZ 3.63Å; W113-F320 HydrophobicContact CZ3-CZ 3.63Å
114P98.5Very high97.4Very high0 Ų040.6 Ų40.60%021%0.211CC..SBendtrans-77.57.9172.431.2-36.5000113.9Y139 N162 F163 H317 P319P114-Y139 HydrophobicContact CB-CD1 4.09Å; P114-Y139 HydrophobicContact CB-CG 4.42Å; P114-N162 WeakPolarHBondContact CD-O 3.43Å; P114-F163 HydrophobicContact CB-CD1 4.3Å; P114-F163 HydrophobicContact CB-CD2 4.18Å; P114-F163 HydrophobicContact CB-CE1 3.88Å; P114-F163 HydrophobicContact CB-CE2 3.76Å; P114-F163 HydrophobicContact CB-CG 4.43Å; P114-F163 HydrophobicContact CB-CZ 3.58Å; P114-F163 HydrophobicContact CG-CD2 4.44Å; P114-F163 HydrophobicContact CG-CE2 4.36Å; P114-H317 VanDerWaalsContact CG-O 3.3Å; P114-H317 WeakPolarHBondContact CG-O 3.24Å; P114-H317 WeakPolarHBondContact O-CB 3.43Å; P114-P319 HydrophobicContact CG-CB 4.09Å; P114-P319 HydrophobicContact CG-CG 4.08Å
115M98.1Very high97.3Very high0 Ų034.2 Ų34.20%018%0.178CC..  trans-117.5129.6-172.7-55-178.8-72.400110.6N82 H85 W113 D312 H315 H317 F318N82-M115 WeakPolarHBondContact CB-O 3.49Å; N82-M115 PolarHBondContact ND2-O 3.18Å; H85-M115 PolarHBondContact CE1-O 3.13Å; W113-M115 HydrophobicContact CD2-CE 4.37Å; W113-M115 HydrophobicContact CE3-CE 3.79Å; W113-M115 HydrophobicContact CZ3-CE 4.39Å; W113-M115 PolarHBondContact O-N 3.13Å; M115-D312 HydrophobicContact CE-CB 3.79Å; M115-D312 HydrophobicContact SD-CB 3.91Å; M115-H315 WeakPolarHBondContact CG-ND1 3.38Å; M115-H315 HydrophobicContact SD-CB 3.67Å; M115-H317 HydrophobicContact CG-CB 4.18Å; M115-F318 HydrophobicContact CE-CD2 3.99Å; M115-F318 HydrophobicContact SD-CB 4.11Å; M115-F318 HydrophobicContact SD-CD2 3.88Å; M115-F318 HydrophobicContact SD-CG 4.5Å
116A98.3Very high97.1Very high0 Ų039.1 Ų39.10%020%0.2CC..PPolyproline II helixtrans-88.9139.4176.600000111.1H85 D135 I137H85-A116 HydrophobicContact CB-CB 3.68Å; A116-D135 HydrophobicContact CB-CB 3.97Å; A116-D135 PolarHBondContact O-N 3.36Å; A116-I137 HydrophobicContact CB-CB 4.05Å
117F98.2Very high96.8Very high1 Ų145.9 Ų45.90%0.00423%0.225CC..BIsolated β-bridgetrans-102.7157.5167.4-68.3-4.8000108.9W81 N82 T83 R119 M124 P125 V132 C133 Y134W81-F117 HydrophobicContact CZ2-CE2 4.24Å; N82-F117 HydrophobicContact CB-CB 3.98Å; N82-F117 HydrophobicContact CB-CD1 3.9Å; N82-F117 HydrophobicContact CB-CD2 3.59Å; N82-F117 HydrophobicContact CB-CE1 4.22Å; N82-F117 HydrophobicContact CB-CE2 3.95Å; N82-F117 HydrophobicContact CB-CG 3.55Å; N82-F117 HydrophobicContact CB-CZ 4.25Å; N82-F117 WeakPolarHBondContact ND2-CE1 3.46Å; N82-F117 WeakPolarHBondContact ND2-CZ 3.47Å; N82-F117 PolarHBondContact O-N 2.8Å; T83-F117 HydrophobicContact CG2-CB 3.59Å; T83-F117 HydrophobicContact CG2-CD2 4.39Å; F117-R119 PolarHBondContact O-N 2.97Å; F117-M124 HydrophobicContact CE2-CG 4.41Å; F117-P125 HydrophobicContact CB-CG 4.03Å; F117-V132 HydrophobicContact CD1-CG1 3.66Å; F117-V132 HydrophobicContact CD2-CG1 4.01Å; F117-V132 HydrophobicContact CE1-CG1 3.71Å; F117-V132 HydrophobicContact CE2-CG1 4.03Å; F117-V132 HydrophobicContact CG-CG1 3.83Å; F117-V132 HydrophobicContact CZ-CG1 3.89Å; F117-C133 WeakPolarHBondContact CA-O 3.37Å; F117-Y134 AromaticContact CD1-CD1 3.73Å; F117-Y134 HydrophobicContact CD1-CD1 3.73Å; F117-Y134 HydrophobicContact CD1-CE1 4.06Å; F117-Y134 AromaticContact CE1-CD1 3.83Å; F117-Y134 HydrophobicContact CE1-CD1 3.83Å; F117-Y134 AromaticContact CE1-CE1 3.68Å; F117-Y134 HydrophobicContact CE1-CE1 3.68Å
118Q98.1Very high96.5Very high97 Ų9750.9 Ų50.945%0.45327%0.269SS..PPolyproline II helixtrans-48127.4176.4-178.2-179.527.300110.5T83 G120 P125 C133T83-Q118 WeakPolarHBondContact CG2-O 3.41Å; Q118-G120 PolarHBondContact O-N 3.2Å; Q118-P125 HydrophobicContact CB-CB 4.3Å; Q118-P125 HydrophobicContact CB-CG 3.97Å; Q118-C133 HydrophobicContact CB-CB 3.59Å; Q118-C133 HydrophobicContact CG-CB 4.41Å; Q118-C133 PolarHBondContact N-O 3.2Å; Q118-C133 PolarHBondContact OE1-SG 2.89Å; Q118-C133 VanDerWaalsContact OE1-SG 3.41Å
119R97.1Very high96.1Very high88 Ų8856.6 Ų56.633%0.33230%0.299SS..SBendtrans-54.5136.9179.2-61.8177.278.6179.37.3111.1H86 D89 F117 I137H86-R119 VanDerWaalsContact CB-CD 3.5Å; H86-R119 HydrophobicContact CB-CG 4.12Å; H86-R119 PolarHBondContact CD2-NH1 3.32Å; H86-R119 PolarHBondContact CE1-NH1 3.2Å; H86-R119 PolarHBondContact ND1-NH1 3.34Å; H86-R119 VanDerWaalsContact ND1-NH1 3.15Å; H86-R119 PolarHBondContact ND1-NH2 3.21Å; H86-R119 VanDerWaalsContact ND1-NH2 3.14Å; H86-R119 PolarHBondContact NE2-NH1 3.48Å; H86-R119 VanDerWaalsContact NE2-NH1 3.11Å; D89-R119 IonicContact OD1-CZ 2.85Å; D89-R119 IonicContact OD1-NE 3.33Å; D89-R119 IonicContact OD1-NH2 3.74Å; D89-R119 PolarHBondContact OD1-NH2 3.21Å; D89-R119 IonicContact OD2-CZ 3.29Å; D89-R119 IonicContact OD2-NE 2.89Å; D89-R119 PolarHBondContact OD2-NE 3.47Å; D89-R119 IonicContact OD2-NH2 2.97Å; D89-R119 PolarHBondContact OD2-NH2 3.12Å; F117-R119 PolarHBondContact O-N 2.97Å; R119-I137 HydrophobicContact CG-CD1 4.44Å
120G94.4Very high95.6Very high37 Ų3758.7 Ų58.738%0.38132%0.321SS..SBendtrans161-175.3179.200000113.8Q84 Q118Q84-G120 PolarHBondContact NE2-O 3.29Å; Q118-G120 PolarHBondContact O-N 3.2Å
121T91.4Very high95.2Very high136 Ų13659.8 Ų59.883%0.83433%0.328SS*.SBendtrans-86.6-22.3-179.252.40000113.6
122E94.8Very high95Very high126 Ų12659.9 Ų59.959%0.58933%0.329SS*.  trans-68.7133.3176.8-65.1-54.9129.500110.2T83 M124T83-E122 VanDerWaalsContact CG2-O 3.28Å; T83-E122 WeakPolarHBondContact CG2-O 3.12Å; E122-M124 VanDerWaalsContact C-N 3.27Å; E122-M124 PolarHBondContact O-N 3.21Å
123L93.3Very high94.9Very high66 Ų6659.9 Ų59.935%0.34633%0.331SS..SBendtrans-65.8-34.7175.2-73.2174.4000111.3A48 W81A48-L123 HydrophobicContact CB-CD2 4.37Å; W81-L123 HydrophobicContact CG-CD2 4.23Å; W81-L123 PolarHBondContact NE1-O 2.87Å
124M93.9Very high94.8Very high73 Ų7362 Ų6236%0.3634%0.339SS..SBendtrans-134.983.5-178.1-70.5-176.551.900109.1W81 F117 E122 K126W81-M124 HydrophobicContact CZ2-CG 4.42Å; F117-M124 HydrophobicContact CE2-CG 4.41Å; E122-M124 VanDerWaalsContact C-N 3.27Å; E122-M124 PolarHBondContact O-N 3.21Å; M124-K126 PolarHBondContact O-N 3.39Å
125P96.5Very high94.7Very high15 Ų1564.2 Ų64.210%0.09735%0.351CS..  trans-63.4133.2176.829-35.3000109.1T83 F117 Q118 V132 C133T83-P125 HydrophobicContact CG2-CG 4.04Å; F117-P125 HydrophobicContact CB-CG 4.03Å; Q118-P125 HydrophobicContact CB-CB 4.3Å; Q118-P125 HydrophobicContact CB-CG 3.97Å; P125-V132 WeakPolarHBondContact O-CA 3.33Å; P125-C133 HydrophobicContact CB-CB 3.99Å; P125-C133 HydrophobicContact CG-CB 4.11Å; P125-C133 PolarHBondContact O-N 2.99Å
126K95.3Very high94.7Very high136 Ų13671.4 Ų71.459%0.59139%0.39SS*.BIsolated β-bridgetrans-123.6143.7-176.7-69-179.3-178.7-178.90111.4M124 S131M124-K126 PolarHBondContact O-N 3.39Å; K126-S131 CarbonylContact C-O 3.49Å; K126-S131 WeakPolarHBondContact CA-O 3.38Å
127R92.9Very high94.7Very high141 Ų14172.1 Ų72.153%0.53239%0.393SS..  trans-74.9169.9167.6-62.1-174.6-177.8156.3-2110.3D129 G130 S131 C133R127-D129 WeakPolarHBondContact CB-OD1 3.31Å; R127-D129 PolarHBondContact O-N 3.4Å; R127-G130 PolarHBondContact O-N 3.08Å; R127-S131 WeakPolarHBondContact CD-OG 3.36Å; R127-S131 PolarHBondContact N-O 3.46Å; R127-C133 WeakPolarHBondContact CG-SG 3.42Å; R127-C133 PolarHBondContact N-SG 3.08Å
128A92.9Very high94.7Very high119 Ų11974.3 Ų74.398%0.98340%0.403SS*.THydrogen-bonded Turntrans-59.7-28.6178.100000113.4G130A128-G130 PolarHBondContact O-N 3.1Å
129D89.2Confident94.7Very high120 Ų12069.8 Ų69.864%0.64238%0.382SS*.THydrogen-bonded Turntrans-81.51.917666.66.5000113.8R127 S131R127-D129 WeakPolarHBondContact CB-OD1 3.31Å; R127-D129 PolarHBondContact O-N 3.4Å; D129-S131 VanDerWaalsContact C-N 3.31Å; D129-S131 PolarHBondContact O-N 3.46Å; D129-S131 VanDerWaalsContact OD1-CB 3.23Å; D129-S131 WeakPolarHBondContact OD1-CB 3.4Å; D129-S131 PolarHBondContact OD1-N 3.02Å; D129-S131 PolarHBondContact OD1-OG 3.34Å; D129-S131 PolarHBondContact OD2-OG 3.14Å
130G88.5Confident94.8Very high44 Ų4468.3 Ų68.345%0.45438%0.379SS..SBendtrans83.3-5-179.200000115.3R127 A128R127-G130 PolarHBondContact O-N 3.08Å; A128-G130 PolarHBondContact O-N 3.1Å
131S90.6Very high95Very high23 Ų2371.5 Ų71.516%0.16138%0.384CS..  trans-69.8156.717368.40000111.7K126 R127 D129K126-S131 CarbonylContact C-O 3.49Å; K126-S131 WeakPolarHBondContact CA-O 3.38Å; R127-S131 WeakPolarHBondContact CD-OG 3.36Å; R127-S131 PolarHBondContact N-O 3.46Å; D129-S131 VanDerWaalsContact C-N 3.31Å; D129-S131 PolarHBondContact O-N 3.46Å; D129-S131 VanDerWaalsContact OD1-CB 3.23Å; D129-S131 WeakPolarHBondContact OD1-CB 3.4Å; D129-S131 PolarHBondContact OD1-N 3.02Å; D129-S131 PolarHBondContact OD1-OG 3.34Å; D129-S131 PolarHBondContact OD2-OG 3.14Å
132V94.9Very high95.4Very high3 Ų365 Ų652%0.01834%0.344CS..BIsolated β-bridgetrans-73.2139.7179.7176.30000110.2F117 P125 Y134 R311F117-V132 HydrophobicContact CD1-CG1 3.66Å; F117-V132 HydrophobicContact CD2-CG1 4.01Å; F117-V132 HydrophobicContact CE1-CG1 3.71Å; F117-V132 HydrophobicContact CE2-CG1 4.03Å; F117-V132 HydrophobicContact CG-CG1 3.83Å; F117-V132 HydrophobicContact CZ-CG1 3.89Å; P125-V132 WeakPolarHBondContact O-CA 3.33Å; V132-Y134 HydrophobicContact CB-CE1 3.94Å; V132-Y134 HydrophobicContact CB-CE2 4.43Å; V132-Y134 HydrophobicContact CG1-CD1 4.03Å; V132-Y134 HydrophobicContact CG1-CE1 3.8Å; V132-Y134 PolarHBondContact O-N 3.47Å; V132-R311 HydrophobicContact CG2-CG 4.4Å
133C96.8Very high95.6Very high15 Ų1559 Ų5910%0.10132%0.316CS..  trans-79.6108166.3-59.40000109.2F117 Q118 P125 R127F117-C133 WeakPolarHBondContact CA-O 3.37Å; Q118-C133 HydrophobicContact CB-CB 3.59Å; Q118-C133 HydrophobicContact CG-CB 4.41Å; Q118-C133 PolarHBondContact N-O 3.2Å; Q118-C133 PolarHBondContact OE1-SG 2.89Å; Q118-C133 VanDerWaalsContact OE1-SG 3.41Å; P125-C133 HydrophobicContact CB-CB 3.99Å; P125-C133 HydrophobicContact CG-CB 4.11Å; P125-C133 PolarHBondContact O-N 2.99Å; R127-C133 WeakPolarHBondContact CG-SG 3.42Å; R127-C133 PolarHBondContact N-SG 3.08Å
134Y97.4Very high95.8Very high62 Ų6259.9 Ų59.924%0.24332%0.324CS..BIsolated β-bridgetrans-83.7164.1172.9-55-69.3000111.8F117 V132 R311 D312 H315F117-Y134 AromaticContact CD1-CD1 3.73Å; F117-Y134 HydrophobicContact CD1-CD1 3.73Å; F117-Y134 HydrophobicContact CD1-CE1 4.06Å; F117-Y134 AromaticContact CE1-CD1 3.83Å; F117-Y134 HydrophobicContact CE1-CD1 3.83Å; F117-Y134 AromaticContact CE1-CE1 3.68Å; F117-Y134 HydrophobicContact CE1-CE1 3.68Å; V132-Y134 HydrophobicContact CB-CE1 3.94Å; V132-Y134 HydrophobicContact CB-CE2 4.43Å; V132-Y134 HydrophobicContact CG1-CD1 4.03Å; V132-Y134 HydrophobicContact CG1-CE1 3.8Å; V132-Y134 PolarHBondContact O-N 3.47Å; Y134-R311 PolarHBondContact OH-O 3.23Å; Y134-D312 PolarHBondContact OH-OD1 3.43Å; Y134-H315 AromaticContact CD1-CD2 3.43Å; Y134-H315 VanDerWaalsContact CD1-CD2 3.43Å; Y134-H315 WeakPolarHBondContact CD1-CD2 3.22Å; Y134-H315 AromaticContact CE1-CD2 3.9Å; Y134-H315 AromaticContact CG-CD2 3.59Å
135D96.8Very high96.1Very high47 Ų4757.2 Ų57.225%0.25131%0.314SS..  trans-124.4153168.4-156-43.1000108.2A116 I137A116-D135 HydrophobicContact CB-CB 3.97Å; A116-D135 PolarHBondContact O-N 3.36Å; D135-I137 VanDerWaalsContact C-N 3.31Å; D135-I137 HydrophobicContact CB-CD1 4.19Å; D135-I137 PolarHBondContact O-N 3.11Å; D135-I137 WeakPolarHBondContact OD1-CG1 3.38Å
136D96.8Very high96.2Very high151 Ų15156.5 Ų56.581%0.80731%0.309SS*.  trans-929.1-173.8-66.7-32.8000112.7H138D136-H138 PolarHBondContact O-N 3.42Å
137I98.2Very high96.4Very high14 Ų1450.7 Ų50.77%0.07228%0.284CS..  trans-59.7120.1178.2-62.9152.6000110H85 H86 A116 R119 D135 E141H85-I137 HydrophobicContact CB-CG2 4.2Å; H86-I137 HydrophobicContact CB-CD1 3.64Å; A116-I137 HydrophobicContact CB-CB 4.05Å; R119-I137 HydrophobicContact CG-CD1 4.44Å; D135-I137 VanDerWaalsContact C-N 3.31Å; D135-I137 HydrophobicContact CB-CD1 4.19Å; D135-I137 PolarHBondContact O-N 3.11Å; D135-I137 WeakPolarHBondContact OD1-CG1 3.38Å; I137-E141 HydrophobicContact CG2-CB 4.47Å
138H98.7Very high96.6Very high48 Ų4846 Ų4622%0.22227%0.273CS..  trans-73.6138.2179.1-162.1-95.6000110.3D136 Q140 E141 T142 H317D136-H138 PolarHBondContact O-N 3.42Å; H138-Q140 PolarHBondContact CE1-OE1 3.3Å; H138-Q140 WeakPolarHBondContact ND1-CB 3.26Å; H138-Q140 PolarHBondContact ND1-N 3.04Å; H138-Q140 PolarHBondContact ND1-OE1 3.2Å; H138-Q140 PolarHBondContact O-N 3.1Å; H138-E141 HydrophobicContact CB-CG 4.43Å; H138-E141 PolarHBondContact N-OE1 3.33Å; H138-E141 WeakPolarHBondContact O-CB 3.34Å; H138-E141 PolarHBondContact O-N 3.1Å; H138-T142 PolarHBondContact O-N 3.45Å; H138-H317 AromaticContact CD2-CE1 3.36Å; H138-H317 PolarHBondContact CD2-CE1 3.08Å; H138-H317 AromaticContact CD2-NE2 3.29Å; H138-H317 PolarHBondContact CD2-NE2 3.36Å; H138-H317 VanDerWaalsContact CD2-NE2 3.29Å; H138-H317 AromaticContact NE2-CE1 3.5Å; H138-H317 PolarHBondContact NE2-CE1 3.21Å; H138-H317 AromaticContact NE2-NE2 3.89Å
139Y98.8Very high96.9Very high1 Ų140.3 Ų40.30%0.00423%0.226CC..Hα-helixtrans-61-20.7-178.654.2-97.2000113.5M111 P114 W143 F163 Q167 D170 I171 H317M111-Y139 WeakPolarHBondContact CE-O 3.44Å; P114-Y139 HydrophobicContact CB-CD1 4.09Å; P114-Y139 HydrophobicContact CB-CG 4.42Å; Y139-W143 WeakPolarHBondContact O-CB 3.44Å; Y139-W143 PolarHBondContact O-N 3.36Å; Y139-F163 AromaticContact CD2-CE1 3.74Å; Y139-F163 HydrophobicContact CD2-CE1 3.74Å; Y139-F163 HydrophobicContact CD2-CZ 4.39Å; Y139-F163 HydrophobicContact CE2-CE1 4.29Å; Y139-F163 AromaticContact CG-CE1 3.98Å; Y139-F163 HydrophobicContact CG-CE1 3.98Å; Y139-F163 HydrophobicContact CG-CZ 4.27Å; Y139-Q167 HydrophobicContact CE1-CG 4.34Å; Y139-Q167 HydrophobicContact CE2-CB 4.49Å; Y139-D170 HydrophobicContact CE2-CB 4.11Å; Y139-D170 PolarHBondContact OH-OD2 2.95Å; Y139-I171 HydrophobicContact CD2-CD1 3.63Å; Y139-I171 HydrophobicContact CD2-CG1 4.02Å; Y139-I171 HydrophobicContact CE2-CD1 4.12Å; Y139-I171 HydrophobicContact CE2-CG1 4.21Å; Y139-H317 HydrophobicContact CD1-CB 4.31Å; Y139-H317 AromaticContact CD1-CG 3.98Å; Y139-H317 HydrophobicContact CE1-CB 4.34Å; Y139-H317 AromaticContact CE1-CG 3.88Å; Y139-H317 AromaticContact CE1-ND1 3.71Å
140Q98.8Very high97.4Very high57 Ų5735.9 Ų35.927%0.26620%0.203SC..Hα-helixtrans-67.6-36.7171.9-71.5174.9-27.100112.6H138 T142 W143 V144 D170 I171 I174H138-Q140 PolarHBondContact CE1-OE1 3.3Å; H138-Q140 WeakPolarHBondContact ND1-CB 3.26Å; H138-Q140 PolarHBondContact ND1-N 3.04Å; H138-Q140 PolarHBondContact ND1-OE1 3.2Å; H138-Q140 PolarHBondContact O-N 3.1Å; Q140-T142 VanDerWaalsContact C-N 3.35Å; Q140-W143 WeakPolarHBondContact O-CB 3.4Å; Q140-W143 PolarHBondContact O-N 2.88Å; Q140-V144 WeakPolarHBondContact O-CG2 3.38Å; Q140-V144 PolarHBondContact O-N 2.96Å; Q140-V144 VanDerWaalsContact O-N 3.08Å; Q140-D170 PolarHBondContact NE2-O 3.44Å; Q140-I171 HydrophobicContact CG-CD1 4.04Å; Q140-I174 HydrophobicContact CB-CD1 4.45Å; Q140-I174 HydrophobicContact CB-CG1 4.42Å; Q140-I174 HydrophobicContact CG-CG1 4.11Å
141E98.8Very high97.9Very high105 Ų10538 Ų3849%0.49120%0.204SC..Hα-helixtrans-65.5-43.1176.1-62177.3-106.100110.4P87 I137 H138 W143 V144 A145P87-E141 HydrophobicContact CG-CB 4.34Å; I137-E141 HydrophobicContact CG2-CB 4.47Å; H138-E141 HydrophobicContact CB-CG 4.43Å; H138-E141 PolarHBondContact N-OE1 3.33Å; H138-E141 WeakPolarHBondContact O-CB 3.34Å; H138-E141 PolarHBondContact O-N 3.1Å; E141-W143 VanDerWaalsContact C-N 3.31Å; E141-W143 PolarHBondContact O-N 2.83Å; E141-V144 PolarHBondContact O-N 3.48Å; E141-A145 PolarHBondContact O-N 2.9Å
142T98.9Very high98.2Very high0 Ų042.1 Ų42.10%022%0.219CC..Hα-helixtrans-60.7-40.5173-47.50000111.5L80 H85 V90 M111 H138 Q140 A145 M146L80-T142 HydrophobicContact CD2-CG2 3.43Å; L80-T142 VanDerWaalsContact CD2-CG2 3.43Å; H85-T142 HydrophobicContact CB-CG2 4.29Å; H85-T142 WeakPolarHBondContact O-CB 3.48Å; H85-T142 WeakPolarHBondContact O-CG2 3.39Å; H85-T142 PolarHBondContact O-OG1 3.08Å; V90-T142 HydrophobicContact CG2-CG2 4.01Å; M111-T142 HydrophobicContact CE-CG2 3.59Å; M111-T142 HydrophobicContact SD-CG2 4.14Å; H138-T142 PolarHBondContact O-N 3.45Å; Q140-T142 VanDerWaalsContact C-N 3.35Å; T142-A145 PolarHBondContact O-N 2.97Å; T142-M146 HydrophobicContact CG2-SD 4.43Å; T142-M146 WeakPolarHBondContact O-CG 3.46Å; T142-M146 PolarHBondContact O-N 3.31Å
143W98.9Very high98.4Very high0 Ų044.3 Ų44.30%024%0.242CC..Hα-helixtrans-60.7-48.2178.3-172.4-96.1000112.3M111 Y139 Q140 E141 A145 M146 E147 I158 L160 I171 I174 H177 P179M111-W143 HydrophobicContact CE-CB 4.44Å; M111-W143 HydrophobicContact CE-CE3 4.33Å; Y139-W143 WeakPolarHBondContact O-CB 3.44Å; Y139-W143 PolarHBondContact O-N 3.36Å; Q140-W143 WeakPolarHBondContact O-CB 3.4Å; Q140-W143 PolarHBondContact O-N 2.88Å; E141-W143 VanDerWaalsContact C-N 3.31Å; E141-W143 PolarHBondContact O-N 2.83Å; W143-A145 PolarHBondContact O-N 3.35Å; W143-M146 WeakPolarHBondContact O-CA 3.44Å; W143-M146 WeakPolarHBondContact O-CB 3.37Å; W143-M146 PolarHBondContact O-N 3.34Å; W143-E147 PolarHBondContact NE1-OE1 3.23Å; W143-E147 VanDerWaalsContact NE1-OE1 3.15Å; W143-E147 WeakPolarHBondContact O-CG 3.23Å; W143-E147 PolarHBondContact O-N 3.42Å; W143-I158 HydrophobicContact CD2-CD1 4.31Å; W143-I158 HydrophobicContact CH2-CB 4.06Å; W143-I158 HydrophobicContact CH2-CD1 3.7Å; W143-I158 HydrophobicContact CH2-CG1 3.66Å; W143-I158 HydrophobicContact CZ2-CD1 3.47Å; W143-I158 VanDerWaalsContact CZ2-CD1 3.47Å; W143-I158 HydrophobicContact CZ2-CG1 3.78Å; W143-I158 HydrophobicContact CZ3-CB 4.44Å; W143-I158 HydrophobicContact CZ3-CD1 4.22Å; W143-I158 HydrophobicContact CZ3-CG1 4.4Å; W143-L160 HydrophobicContact CE3-CD2 3.89Å; W143-L160 HydrophobicContact CH2-CD2 4.28Å; W143-L160 HydrophobicContact CZ3-CD2 3.51Å; W143-L160 HydrophobicContact CZ3-CG 4.37Å; W143-I171 HydrophobicContact CB-CD1 3.56Å; W143-I171 HydrophobicContact CD2-CD1 4.14Å; W143-I171 HydrophobicContact CD2-CG2 3.48Å; W143-I171 VanDerWaalsContact CD2-CG2 3.48Å; W143-I171 VanDerWaalsContact CE2-CG2 3.44Å; W143-I171 HydrophobicContact CE3-CD1 4.4Å; W143-I171 HydrophobicContact CE3-CG2 3.93Å; W143-I171 HydrophobicContact CG-CD1 3.78Å; W143-I171 HydrophobicContact CG-CG2 3.88Å; W143-I171 HydrophobicContact CH2-CG2 4.28Å; W143-I171 HydrophobicContact CZ2-CG2 3.84Å; W143-I171 HydrophobicContact CZ3-CG2 4.32Å; W143-I174 HydrophobicContact CB-CD1 4.42Å; W143-I174 HydrophobicContact CG-CD1 4.32Å; W143-H177 WeakPolarHBondContact CZ2-O 3.37Å; W143-P179 HydrophobicContact CH2-CB 3.54Å; W143-P179 HydrophobicContact CH2-CG 4.34Å; W143-P179 HydrophobicContact CZ2-CB 3.94Å; W143-P179 HydrophobicContact CZ2-CG 4.33Å; W143-P179 HydrophobicContact CZ3-CB 4.38Å
144V98.8Very high98.5Very high84 Ų8444.2 Ų44.251%0.50924%0.241SC..Hα-helixtrans-57.2-39.7177173.50000111.2Q140 E141 E147 I174Q140-V144 WeakPolarHBondContact O-CG2 3.38Å; Q140-V144 PolarHBondContact O-N 2.96Å; Q140-V144 VanDerWaalsContact O-N 3.08Å; E141-V144 PolarHBondContact O-N 3.48Å; V144-E147 PolarHBondContact O-N 3.08Å; V144-I174 HydrophobicContact CG2-CD1 4.16Å
145A98.9Very high98.6Very high17 Ų1741.4 Ų41.414%0.1423%0.23CC..Hα-helixtrans-67.3-37.717400000112.9P87 V90 E141 T142 W143 E147 S148P87-A145 HydrophobicContact CB-CB 3.94Å; V90-A145 HydrophobicContact CB-CB 3.99Å; V90-A145 HydrophobicContact CG1-CB 4.26Å; V90-A145 HydrophobicContact CG2-CB 3.78Å; E141-A145 PolarHBondContact O-N 2.9Å; T142-A145 PolarHBondContact O-N 2.97Å; W143-A145 PolarHBondContact O-N 3.35Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 3.45Å; A145-S148 WeakPolarHBondContact O-CB 3.31Å; A145-S148 PolarHBondContact O-N 3.44Å
146M98.9Very high98.7Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-64.6-32.5175.3-72.5179.668.100112.7L80 V90 Y109 M111 T142 W143 S148 L149 I158L80-M146 HydrophobicContact CD2-CG 4.39Å; L80-M146 HydrophobicContact CD2-SD 4.17Å; V90-M146 HydrophobicContact CG1-CB 4.43Å; V90-M146 HydrophobicContact CG1-CG 3.67Å; Y109-M146 HydrophobicContact CD1-CE 4.03Å; Y109-M146 WeakPolarHBondContact O-CE 3.41Å; M111-M146 HydrophobicContact CB-CE 4.45Å; M111-M146 HydrophobicContact CB-SD 3.95Å; M111-M146 HydrophobicContact CE-SD 3.76Å; M111-M146 HydrophobicContact CG-SD 4.49Å; T142-M146 HydrophobicContact CG2-SD 4.43Å; T142-M146 WeakPolarHBondContact O-CG 3.46Å; T142-M146 PolarHBondContact O-N 3.31Å; W143-M146 WeakPolarHBondContact O-CA 3.44Å; W143-M146 WeakPolarHBondContact O-CB 3.37Å; W143-M146 PolarHBondContact O-N 3.34Å; M146-S148 VanDerWaalsContact C-N 3.26Å; M146-S148 PolarHBondContact O-N 3.41Å; M146-L149 VanDerWaalsContact O-CB 3.23Å; M146-L149 WeakPolarHBondContact O-CB 3.48Å; M146-L149 WeakPolarHBondContact O-CG 3.4Å; M146-L149 PolarHBondContact O-N 2.93Å; M146-I158 HydrophobicContact CB-CD1 4.17Å; M146-I158 HydrophobicContact CB-CG2 4.37Å; M146-I158 HydrophobicContact CE-CB 4.17Å; M146-I158 HydrophobicContact CE-CG2 4.06Å
147E98.9Very high98.8Very high14 Ų1437 Ų377%0.06520%0.2CC..Hα-helixtrans-60.5-35.3176.2-70.1-175.9145.500112.6W143 V144 A145 L149 V150 D151 I158 A175 K176 H177W143-E147 PolarHBondContact NE1-OE1 3.23Å; W143-E147 VanDerWaalsContact NE1-OE1 3.15Å; W143-E147 WeakPolarHBondContact O-CG 3.23Å; W143-E147 PolarHBondContact O-N 3.42Å; V144-E147 PolarHBondContact O-N 3.08Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 3.45Å; E147-L149 PolarHBondContact O-N 3.25Å; E147-V150 WeakPolarHBondContact O-CB 3.41Å; E147-V150 PolarHBondContact O-N 2.93Å; E147-V150 VanDerWaalsContact O-N 3.08Å; E147-D151 PolarHBondContact O-N 3.26Å; E147-D151 VanDerWaalsContact O-N 3.16Å; E147-I158 HydrophobicContact CG-CD1 3.82Å; E147-A175 VanDerWaalsContact OE1-CA 3.28Å; E147-A175 WeakPolarHBondContact OE1-CA 3.23Å; E147-K176 WeakPolarHBondContact OE1-CA 3.38Å; E147-K176 PolarHBondContact OE1-N 3.25Å; E147-H177 HydrophobicContact CG-CB 4.26Å; E147-H177 PolarHBondContact OE1-N 3.38Å
148S98.8Very high98.8Very high42 Ų4236.5 Ų36.529%0.29420%0.197SC..Hα-helixtrans-61-28.8174.6-171.70000112.6A145 M146 V150 D151 K152A145-S148 WeakPolarHBondContact O-CB 3.31Å; A145-S148 PolarHBondContact O-N 3.44Å; M146-S148 VanDerWaalsContact C-N 3.26Å; M146-S148 PolarHBondContact O-N 3.41Å; S148-V150 VanDerWaalsContact C-N 3.31Å; S148-V150 PolarHBondContact O-N 2.97Å; S148-D151 PolarHBondContact O-N 3.04Å; S148-K152 WeakPolarHBondContact O-CB 3.19Å; S148-K152 VanDerWaalsContact O-CG 3.26Å; S148-K152 WeakPolarHBondContact O-CG 3.46Å; S148-K152 PolarHBondContact O-N 2.97Å; S148-K152 WeakPolarHBondContact OG-CE 3.39Å
149L98.9Very high98.8Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-66.8-35.8176.3-51179.3000111.8V90 E91 C94 Y109 M146 E147 G153 L154 V155V90-L149 HydrophobicContact CG1-CD1 3.82Å; V90-L149 HydrophobicContact CG1-CD2 4.44Å; V90-L149 HydrophobicContact CG1-CG 4.26Å; E91-L149 HydrophobicContact CB-CD2 3.8Å; E91-L149 HydrophobicContact CG-CD2 4.05Å; C94-L149 HydrophobicContact CB-CD1 3.82Å; C94-L149 HydrophobicContact CB-CD2 4.23Å; Y109-L149 HydrophobicContact CD1-CD1 3.72Å; Y109-L149 HydrophobicContact CE1-CD1 3.96Å; M146-L149 VanDerWaalsContact O-CB 3.23Å; M146-L149 WeakPolarHBondContact O-CB 3.48Å; M146-L149 WeakPolarHBondContact O-CG 3.4Å; M146-L149 PolarHBondContact O-N 2.93Å; E147-L149 PolarHBondContact O-N 3.25Å; L149-G153 PolarHBondContact O-N 3.49Å; L149-L154 HydrophobicContact CB-CB 4.44Å; L149-L154 HydrophobicContact CD2-CD1 4.02Å; L149-L154 PolarHBondContact O-N 3.5Å; L149-V155 HydrophobicContact CB-CG1 4.25Å; L149-V155 HydrophobicContact CB-CG2 3.76Å; L149-V155 PolarHBondContact O-N 3.29Å
150V98.8Very high98.8Very high26 Ų2634.1 Ų34.116%0.15819%0.186CC..Hα-helixtrans-68-48.1174.9-175.70000109.4E147 S148 K152 G153 V155 I158E147-V150 WeakPolarHBondContact O-CB 3.41Å; E147-V150 PolarHBondContact O-N 2.93Å; E147-V150 VanDerWaalsContact O-N 3.08Å; S148-V150 VanDerWaalsContact C-N 3.31Å; S148-V150 PolarHBondContact O-N 2.97Å; V150-K152 PolarHBondContact O-N 3.28Å; V150-G153 PolarHBondContact O-N 3.48Å; V150-V155 HydrophobicContact CB-CG2 4.48Å; V150-V155 HydrophobicContact CG2-CG2 3.74Å; V150-I158 HydrophobicContact CG2-CD1 4.25Å; V150-I158 HydrophobicContact CG2-CG1 4.02Å; V150-I158 HydrophobicContact CG2-CG2 3.86Å
151D98.6Very high98.8Very high90 Ų9031.5 Ų31.548%0.48117%0.174SC..Hα-helixtrans-59.4-33.4179.5-67-26.7000112.4E147 S148 G153 K176 H177E147-D151 PolarHBondContact O-N 3.26Å; E147-D151 VanDerWaalsContact O-N 3.16Å; S148-D151 PolarHBondContact O-N 3.04Å; D151-G153 VanDerWaalsContact C-N 3.33Å; D151-K176 IonicContact OD1-NZ 3.67Å; D151-K176 PolarHBondContact OD1-NZ 3.16Å; D151-K176 IonicContact OD2-NZ 3.79Å; D151-K176 PolarHBondContact OD2-NZ 2.87Å; D151-H177 IonicContact OD1-CD2 3.72Å; D151-H177 IonicContact OD1-CE1 3.5Å; D151-H177 IonicContact OD1-NE2 2.72Å; D151-H177 PolarHBondContact OD1-NE2 3.43Å
152K98.8Very high98.8Very high109 Ų10926.6 Ų26.647%0.47415%0.151SC..THydrogen-bonded Turntrans-83.2-3.9176.2-69176-175.7-172.20114.1E91 S148 V150 L154E91-K152 IonicContact OE1-NZ 3.21Å; E91-K152 IonicContact OE2-NZ 3.62Å; E91-K152 PolarHBondContact OE2-NZ 3.02Å; S148-K152 WeakPolarHBondContact O-CB 3.19Å; S148-K152 VanDerWaalsContact O-CG 3.26Å; S148-K152 WeakPolarHBondContact O-CG 3.46Å; S148-K152 PolarHBondContact O-N 2.97Å; S148-K152 WeakPolarHBondContact OG-CE 3.39Å; V150-K152 PolarHBondContact O-N 3.28Å; K152-L154 HydrophobicContact CB-CD1 4.37Å; K152-L154 HydrophobicContact CB-CG 4.05Å; K152-L154 PolarHBondContact O-N 2.95Å
153G98.6Very high98.8Very high49 Ų4926.7 Ų26.751%0.50515%0.151SC..THydrogen-bonded Turntrans6916.7-17800000114.8L149 V150 D151 V155L149-G153 PolarHBondContact O-N 3.49Å; V150-G153 PolarHBondContact O-N 3.48Å; D151-G153 VanDerWaalsContact C-N 3.33Å; G153-V155 VanDerWaalsContact C-N 3.3Å
154L98.9Very high98.8Very high13 Ų1326.7 Ų26.77%0.06815%0.152CC..SBendtrans-73.8-27.4175.9-60.8179.6000111.6E91 R95 L98 Y105 L106 L149 K152E91-L154 HydrophobicContact CG-CD1 3.99Å; R95-L154 HydrophobicContact CG-CD1 4.27Å; L98-L154 HydrophobicContact CD1-CB 4.22Å; L98-L154 HydrophobicContact CD1-CD2 4.17Å; Y105-L154 CarbonylContact C-O 3.59Å; Y105-L154 WeakPolarHBondContact CA-O 3.42Å; L106-L154 PolarHBondContact N-O 3.32Å; L149-L154 HydrophobicContact CB-CB 4.44Å; L149-L154 HydrophobicContact CD2-CD1 4.02Å; L149-L154 PolarHBondContact O-N 3.5Å; K152-L154 HydrophobicContact CB-CD1 4.37Å; K152-L154 HydrophobicContact CB-CG 4.05Å; K152-L154 PolarHBondContact O-N 2.95Å
155V98.9Very high98.8Very high3 Ų323.8 Ų23.82%0.01814%0.136CC..BIsolated β-bridgetrans-137142.5177.2-50.80000108.7L106 Y109 L149 V150 G153 I158L106-V155 HydrophobicContact CB-CG1 4.21Å; L106-V155 CarbonylContact O-C 3.38Å; L106-V155 VanDerWaalsContact O-CA 3.31Å; L106-V155 WeakPolarHBondContact O-CA 3.27Å; Y109-V155 HydrophobicContact CG-CG1 4.25Å; L149-V155 HydrophobicContact CB-CG1 4.25Å; L149-V155 HydrophobicContact CB-CG2 3.76Å; L149-V155 PolarHBondContact O-N 3.29Å; V150-V155 HydrophobicContact CB-CG2 4.48Å; V150-V155 HydrophobicContact CG2-CG2 3.74Å; G153-V155 VanDerWaalsContact C-N 3.3Å; V155-I158 HydrophobicContact CG2-CG2 3.68Å
156R98.6Very high98.8Very high100 Ų10027.5 Ų27.538%0.37715%0.147SC..SBendtrans-77.8-32.1176.1-68.9-178.2175.6-87.7-5112.6H11 Y105 L106 D107H11-R156 PolarHBondContact NE2-NH1 2.92Å; Y105-R156 HydrophobicContact CD2-CG 3.97Å; Y105-R156 HydrophobicContact CE2-CG 4.16Å; Y105-R156 PolarHBondContact OH-NH2 3.04Å; L106-R156 PolarHBondContact O-N 3.36Å; D107-R156 IonicContact OD1-NE 3.22Å
157A98.8Very high98.8Very high6 Ų627.5 Ų27.55%0.0515%0.147CC..  trans-152.2159.6178.600000111D107 L108 Y109 V180D107-A157 PolarHBondContact O-N 3.07Å; L108-A157 WeakPolarHBondContact CA-O 3.32Å; L108-A157 HydrophobicContact CD1-CB 4.28Å; Y109-A157 PolarHBondContact N-O 3Å; A157-V180 HydrophobicContact CB-CG1 4.15Å; A157-V180 HydrophobicContact CB-CG2 3.6Å
158I98.9Very high98.8Very high2 Ų226.8 Ų26.81%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-124.1155.7176.451.9171.4000110.9Y109 W143 M146 E147 V150 V155 H177 V180Y109-I158 VanDerWaalsContact O-CA 3.26Å; Y109-I158 WeakPolarHBondContact O-CA 3.29Å; W143-I158 HydrophobicContact CD2-CD1 4.31Å; W143-I158 HydrophobicContact CH2-CB 4.06Å; W143-I158 HydrophobicContact CH2-CD1 3.7Å; W143-I158 HydrophobicContact CH2-CG1 3.66Å; W143-I158 HydrophobicContact CZ2-CD1 3.47Å; W143-I158 VanDerWaalsContact CZ2-CD1 3.47Å; W143-I158 HydrophobicContact CZ2-CG1 3.78Å; W143-I158 HydrophobicContact CZ3-CB 4.44Å; W143-I158 HydrophobicContact CZ3-CD1 4.22Å; W143-I158 HydrophobicContact CZ3-CG1 4.4Å; M146-I158 HydrophobicContact CB-CD1 4.17Å; M146-I158 HydrophobicContact CB-CG2 4.37Å; M146-I158 HydrophobicContact CE-CB 4.17Å; M146-I158 HydrophobicContact CE-CG2 4.06Å; E147-I158 HydrophobicContact CG-CD1 3.82Å; V150-I158 HydrophobicContact CG2-CD1 4.25Å; V150-I158 HydrophobicContact CG2-CG1 4.02Å; V150-I158 HydrophobicContact CG2-CG2 3.86Å; V155-I158 HydrophobicContact CG2-CG2 3.68Å; I158-H177 HydrophobicContact CD1-CB 4.3Å; I158-V180 PolarHBondContact O-N 2.84Å; I158-V180 VanDerWaalsContact O-N 3.11Å
159G98.9Very high98.8Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-159.7-171.5-178.100000113.3Y109 L110 M111 V181Y109-G159 PolarHBondContact O-N 3.47Å; Y109-G159 VanDerWaalsContact O-N 3.07Å; L110-G159 VanDerWaalsContact CA-O 3.32Å; L110-G159 WeakPolarHBondContact CA-O 3.32Å; L110-G159 VanDerWaalsContact CD2-C 3.45Å; L110-G159 VanDerWaalsContact CD2-CA 3.48Å; M111-G159 PolarHBondContact N-O 2.78Å; G159-V181 CarbonylContact C-O 3.47Å; G159-V181 WeakPolarHBondContact CA-O 3.27Å
160L98.9Very high98.8Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-113.7154.3-171.9-53.2176.9000110.2W143 F163 T168 I171 P179 V181 N182 Q183W143-L160 HydrophobicContact CE3-CD2 3.89Å; W143-L160 HydrophobicContact CH2-CD2 4.28Å; W143-L160 HydrophobicContact CZ3-CD2 3.51Å; W143-L160 HydrophobicContact CZ3-CG 4.37Å; L160-F163 HydrophobicContact CB-CB 3.98Å; L160-F163 HydrophobicContact CB-CD1 4.46Å; L160-F163 HydrophobicContact CB-CD2 3.73Å; L160-F163 HydrophobicContact CB-CE2 4.35Å; L160-F163 HydrophobicContact CB-CG 3.8Å; L160-F163 HydrophobicContact CD1-CB 3.97Å; L160-F163 HydrophobicContact CD1-CD1 3.93Å; L160-F163 HydrophobicContact CD1-CG 3.95Å; L160-F163 HydrophobicContact CD2-CD1 3.92Å; L160-F163 HydrophobicContact CD2-CD2 4.15Å; L160-F163 HydrophobicContact CD2-CE1 3.87Å; L160-F163 HydrophobicContact CD2-CE2 4.1Å; L160-F163 HydrophobicContact CD2-CG 4.08Å; L160-F163 HydrophobicContact CD2-CZ 3.97Å; L160-F163 HydrophobicContact CG-CB 4.48Å; L160-F163 HydrophobicContact CG-CD1 4.31Å; L160-F163 HydrophobicContact CG-CD2 4.37Å; L160-F163 HydrophobicContact CG-CG 4.15Å; L160-T168 HydrophobicContact CD1-CG2 4.03Å; L160-I171 HydrophobicContact CD2-CG1 4.16Å; L160-I171 HydrophobicContact CD2-CG2 4.42Å; L160-P179 HydrophobicContact CD1-CB 4.06Å; L160-P179 HydrophobicContact CD1-CG 4.18Å; L160-P179 HydrophobicContact CG-CB 3.88Å; L160-V181 PolarHBondContact N-O 2.77Å; L160-N182 HydrophobicContact CB-CB 4.33Å; L160-N182 CarbonylContact O-C 3.57Å; L160-N182 WeakPolarHBondContact O-CA 3.37Å; L160-Q183 PolarHBondContact O-N 2.95Å
161S98.9Very high98.8Very high1 Ų129 Ų291%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-140.2132.6167176.90000108.9M111 H112 F163 Q183M111-S161 VanDerWaalsContact O-CB 3.29Å; M111-S161 WeakPolarHBondContact O-CB 3.46Å; M111-S161 PolarHBondContact O-N 2.94Å; H112-S161 CarbonylContact C-O 3.57Å; H112-S161 CarbonylContact O-C 3.59Å; H112-S161 VanDerWaalsContact O-CB 3.32Å; H112-S161 WeakPolarHBondContact O-CB 3.23Å; H112-S161 PolarHBondContact O-OG 2.81Å; S161-F163 VanDerWaalsContact C-N 3.29Å; S161-F163 VanDerWaalsContact O-CD2 3.27Å; S161-F163 WeakPolarHBondContact O-CD2 2.93Å; S161-F163 PolarHBondContact O-N 3.36Å; S161-Q183 CarbonylContact C-O 3.53Å; S161-Q183 VanDerWaalsContact CA-O 3.22Å; S161-Q183 WeakPolarHBondContact CA-O 3.36Å; S161-Q183 PolarHBondContact OG-O 3.27Å
162N98.7Very high98.8Very high3 Ų326.3 Ų26.32%0.01614%0.136CC..SBendtrans61.529.9-174.9-53.3-68.6000114.5H112 W113 P114 Q183 Y209 P319 F320H112-N162 PolarHBondContact O-ND2 3.09Å; W113-N162 HydrophobicContact CD2-CB 3.97Å; W113-N162 VanDerWaalsContact CE2-ND2 3.32Å; W113-N162 HydrophobicContact CE3-CB 3.5Å; W113-N162 VanDerWaalsContact CE3-CB 3.5Å; W113-N162 HydrophobicContact CH2-CB 4.18Å; W113-N162 WeakPolarHBondContact CZ2-ND2 3.26Å; W113-N162 HydrophobicContact CZ3-CB 3.62Å; P114-N162 WeakPolarHBondContact CD-O 3.43Å; N162-Q183 PolarHBondContact N-O 3.33Å; N162-Y209 VanDerWaalsContact OD1-CE1 3.23Å; N162-Y209 WeakPolarHBondContact OD1-CE1 3.34Å; N162-Y209 PolarHBondContact OD1-OH 3.26Å; N162-P319 HydrophobicContact CB-CG 4.36Å; N162-P319 WeakPolarHBondContact O-CB 3.21Å; N162-P319 WeakPolarHBondContact O-CG 3.27Å; N162-F320 HydrophobicContact CB-CE1 4.42Å; N162-F320 HydrophobicContact CB-CZ 4.1Å
163F98.8Very high98.8Very high1 Ų125.3 Ų25.30%0.00414%0.143CC..  trans-92139.2173.8-81-120.1000110.2M111 P114 Y139 L160 S161 Q167 I171 N182M111-F163 HydrophobicContact CB-CE2 4.23Å; M111-F163 HydrophobicContact CB-CZ 4.46Å; M111-F163 HydrophobicContact CE-CZ 4.49Å; M111-F163 HydrophobicContact CG-CE2 4.36Å; M111-F163 HydrophobicContact CG-CZ 4.4Å; M111-F163 HydrophobicContact SD-CE2 4.16Å; M111-F163 HydrophobicContact SD-CZ 3.63Å; P114-F163 HydrophobicContact CB-CD1 4.3Å; P114-F163 HydrophobicContact CB-CD2 4.18Å; P114-F163 HydrophobicContact CB-CE1 3.88Å; P114-F163 HydrophobicContact CB-CE2 3.76Å; P114-F163 HydrophobicContact CB-CG 4.43Å; P114-F163 HydrophobicContact CB-CZ 3.58Å; P114-F163 HydrophobicContact CG-CD2 4.44Å; P114-F163 HydrophobicContact CG-CE2 4.36Å; Y139-F163 AromaticContact CD2-CE1 3.74Å; Y139-F163 HydrophobicContact CD2-CE1 3.74Å; Y139-F163 HydrophobicContact CD2-CZ 4.39Å; Y139-F163 HydrophobicContact CE2-CE1 4.29Å; Y139-F163 AromaticContact CG-CE1 3.98Å; Y139-F163 HydrophobicContact CG-CE1 3.98Å; Y139-F163 HydrophobicContact CG-CZ 4.27Å; L160-F163 HydrophobicContact CB-CB 3.98Å; L160-F163 HydrophobicContact CB-CD1 4.46Å; L160-F163 HydrophobicContact CB-CD2 3.73Å; L160-F163 HydrophobicContact CB-CE2 4.35Å; L160-F163 HydrophobicContact CB-CG 3.8Å; L160-F163 HydrophobicContact CD1-CB 3.97Å; L160-F163 HydrophobicContact CD1-CD1 3.93Å; L160-F163 HydrophobicContact CD1-CG 3.95Å; L160-F163 HydrophobicContact CD2-CD1 3.92Å; L160-F163 HydrophobicContact CD2-CD2 4.15Å; L160-F163 HydrophobicContact CD2-CE1 3.87Å; L160-F163 HydrophobicContact CD2-CE2 4.1Å; L160-F163 HydrophobicContact CD2-CG 4.08Å; L160-F163 HydrophobicContact CD2-CZ 3.97Å; L160-F163 HydrophobicContact CG-CB 4.48Å; L160-F163 HydrophobicContact CG-CD1 4.31Å; L160-F163 HydrophobicContact CG-CD2 4.37Å; L160-F163 HydrophobicContact CG-CG 4.15Å; S161-F163 VanDerWaalsContact C-N 3.29Å; S161-F163 VanDerWaalsContact O-CD2 3.27Å; S161-F163 WeakPolarHBondContact O-CD2 2.93Å; S161-F163 PolarHBondContact O-N 3.36Å; F163-Q167 HydrophobicContact CB-CB 4.4Å; F163-Q167 HydrophobicContact CD1-CB 3.62Å; F163-Q167 HydrophobicContact CE1-CB 4.33Å; F163-Q167 HydrophobicContact CG-CB 4.38Å; F163-I171 HydrophobicContact CD1-CG1 4.5Å; F163-I171 HydrophobicContact CE1-CG1 4.06Å; F163-N182 PolarHBondContact O-ND2 2.96Å
164N98.7Very high98.8Very high1 Ų126.2 Ų26.21%0.00514%0.136CC..  trans-82.817817070.129.6000111.6R166 Q167 T168 P319 Y324N164-R166 PolarHBondContact OD1-N 3.02Å; N164-Q167 VanDerWaalsContact N-OE1 3.16Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.32Å; N164-Q167 VanDerWaalsContact OD1-CG 3.26Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.1Å; N164-Q167 PolarHBondContact OD1-N 2.94Å; N164-T168 WeakPolarHBondContact O-CB 3.28Å; N164-T168 PolarHBondContact O-N 3.06Å; N164-T168 PolarHBondContact O-OG1 3.22Å; N164-P319 WeakPolarHBondContact CB-O 3.49Å; N164-P319 PolarHBondContact ND2-O 3.31Å; N164-Y324 HydrophobicContact CB-CD1 4.28Å; N164-Y324 HydrophobicContact CB-CE1 4.21Å
165A98.5Very high98.7Very high23 Ų2326.5 Ų26.519%0.1914%0.14CC..Hα-helixtrans-60.4-49.2-177.600000112.3Q167 T168 D169 L195 H198A165-Q167 PolarHBondContact O-N 3.09Å; A165-T168 WeakPolarHBondContact O-CA 3.48Å; A165-T168 WeakPolarHBondContact O-CB 3.22Å; A165-T168 PolarHBondContact O-N 2.95Å; A165-T168 VanDerWaalsContact O-N 3.11Å; A165-D169 PolarHBondContact O-N 3.46Å; A165-L195 HydrophobicContact CB-CD1 4.24Å; A165-H198 HydrophobicContact CB-CB 4.4Å; A165-H198 PolarHBondContact O-NE2 2.56Å
166R98.6Very high98.7Very high94 Ų9432.8 Ų32.836%0.35517%0.167SC..Hα-helixtrans-59.2-48.3178.9-176.2-171.660.782.6-7.4112.2N164 T168 D169 D170 E322N164-R166 PolarHBondContact OD1-N 3.02Å; R166-T168 PolarHBondContact O-N 3.38Å; R166-D169 PolarHBondContact O-N 2.82Å; R166-D170 IonicContact CZ-OD2 2.82Å; R166-D170 IonicContact NH1-OD2 2.8Å; R166-D170 PolarHBondContact NH1-OD2 3.3Å; R166-D170 VanDerWaalsContact O-CG 3.23Å; R166-D170 PolarHBondContact O-N 3.19Å; R166-E322 WeakPolarHBondContact CB-OE2 3.36Å; R166-E322 IonicContact CZ-OE1 3.58Å; R166-E322 VanDerWaalsContact CZ-OE1 3.29Å; R166-E322 IonicContact NE-OE1 3.87Å; R166-E322 PolarHBondContact NE-OE1 2.92Å; R166-E322 IonicContact NE-OE2 3.17Å; R166-E322 PolarHBondContact NE-OE2 2.94Å; R166-E322 IonicContact NH2-OE1 2.73Å; R166-E322 PolarHBondContact NH2-OE1 3.2Å
167Q98.8Very high98.7Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-64-31.5178.1-66.4170-33.800112Y139 F163 N164 A165 I171 H317Y139-Q167 HydrophobicContact CE1-CG 4.34Å; Y139-Q167 HydrophobicContact CE2-CB 4.49Å; F163-Q167 HydrophobicContact CB-CB 4.4Å; F163-Q167 HydrophobicContact CD1-CB 3.62Å; F163-Q167 HydrophobicContact CE1-CB 4.33Å; F163-Q167 HydrophobicContact CG-CB 4.38Å; N164-Q167 VanDerWaalsContact N-OE1 3.16Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.32Å; N164-Q167 VanDerWaalsContact OD1-CG 3.26Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.1Å; N164-Q167 PolarHBondContact OD1-N 2.94Å; A165-Q167 PolarHBondContact O-N 3.09Å; Q167-I171 PolarHBondContact O-N 3.2Å; Q167-I171 VanDerWaalsContact O-N 3.15Å; Q167-H317 PolarHBondContact NE2-O 3.12Å
168T98.8Very high98.7Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-65.7-46.6173.5-58.50000110.5L160 N164 A165 R166 I171 I172 V202 V204L160-T168 HydrophobicContact CD1-CG2 4.03Å; N164-T168 WeakPolarHBondContact O-CB 3.28Å; N164-T168 PolarHBondContact O-N 3.06Å; N164-T168 PolarHBondContact O-OG1 3.22Å; A165-T168 WeakPolarHBondContact O-CA 3.48Å; A165-T168 WeakPolarHBondContact O-CB 3.22Å; A165-T168 PolarHBondContact O-N 2.95Å; A165-T168 VanDerWaalsContact O-N 3.11Å; R166-T168 PolarHBondContact O-N 3.38Å; T168-I171 PolarHBondContact O-N 2.83Å; T168-I172 HydrophobicContact CG2-CD1 3.92Å; T168-I172 WeakPolarHBondContact O-CG1 3.1Å; T168-I172 PolarHBondContact O-N 2.89Å; T168-V202 HydrophobicContact CG2-CG2 4.49Å; T168-V204 HydrophobicContact CG2-CG2 4.37Å
169D98.7Very high98.7Very high71 Ų7136.5 Ų36.538%0.3819%0.186SC..Hα-helixtrans-62.2-41.4174.6-74.6-26.2000112.2A165 R166 I171 I172 S173 H198A165-D169 PolarHBondContact O-N 3.46Å; R166-D169 PolarHBondContact O-N 2.82Å; D169-I171 VanDerWaalsContact C-N 3.28Å; D169-I171 PolarHBondContact O-N 3.44Å; D169-I172 PolarHBondContact O-N 2.99Å; D169-I172 VanDerWaalsContact O-N 3.15Å; D169-S173 WeakPolarHBondContact O-CB 3.34Å; D169-S173 PolarHBondContact O-N 2.88Å; D169-H198 IonicContact OD1-CE1 2.75Å; D169-H198 PolarHBondContact OD1-CE1 2.85Å; D169-H198 IonicContact OD1-NE2 3.22Å; D169-H198 IonicContact OD2-CE1 2.82Å; D169-H198 PolarHBondContact OD2-CE1 2.94Å; D169-H198 VanDerWaalsContact OD2-CE1 3.31Å
170D98.7Very high98.7Very high44 Ų4436.8 Ų36.824%0.23519%0.187CC..Hα-helixtrans-57.8-41.1177.1-72.3-21.6000111.1Y139 Q140 R166 S173Y139-D170 HydrophobicContact CE2-CB 4.11Å; Y139-D170 PolarHBondContact OH-OD2 2.95Å; Q140-D170 PolarHBondContact NE2-O 3.44Å; R166-D170 IonicContact CZ-OD2 2.82Å; R166-D170 IonicContact NH1-OD2 2.8Å; R166-D170 PolarHBondContact NH1-OD2 3.3Å; R166-D170 VanDerWaalsContact O-CG 3.23Å; R166-D170 PolarHBondContact O-N 3.19Å; D170-S173 PolarHBondContact O-OG 2.66Å
171I98.9Very high98.7Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-69.2-47.9173.2-71.6-58.2000111.6Y139 Q140 W143 L160 F163 Q167 T168 D169 S173 I174 A175 P179Y139-I171 HydrophobicContact CD2-CD1 3.63Å; Y139-I171 HydrophobicContact CD2-CG1 4.02Å; Y139-I171 HydrophobicContact CE2-CD1 4.12Å; Y139-I171 HydrophobicContact CE2-CG1 4.21Å; Q140-I171 HydrophobicContact CG-CD1 4.04Å; W143-I171 HydrophobicContact CB-CD1 3.56Å; W143-I171 HydrophobicContact CD2-CD1 4.14Å; W143-I171 HydrophobicContact CD2-CG2 3.48Å; W143-I171 VanDerWaalsContact CD2-CG2 3.48Å; W143-I171 VanDerWaalsContact CE2-CG2 3.44Å; W143-I171 HydrophobicContact CE3-CD1 4.4Å; W143-I171 HydrophobicContact CE3-CG2 3.93Å; W143-I171 HydrophobicContact CG-CD1 3.78Å; W143-I171 HydrophobicContact CG-CG2 3.88Å; W143-I171 HydrophobicContact CH2-CG2 4.28Å; W143-I171 HydrophobicContact CZ2-CG2 3.84Å; W143-I171 HydrophobicContact CZ3-CG2 4.32Å; L160-I171 HydrophobicContact CD2-CG1 4.16Å; L160-I171 HydrophobicContact CD2-CG2 4.42Å; F163-I171 HydrophobicContact CD1-CG1 4.5Å; F163-I171 HydrophobicContact CE1-CG1 4.06Å; Q167-I171 PolarHBondContact O-N 3.2Å; Q167-I171 VanDerWaalsContact O-N 3.15Å; T168-I171 PolarHBondContact O-N 2.83Å; D169-I171 VanDerWaalsContact C-N 3.28Å; D169-I171 PolarHBondContact O-N 3.44Å; I171-S173 PolarHBondContact O-N 2.91Å; I171-I174 PolarHBondContact O-N 3.43Å; I171-I174 VanDerWaalsContact O-N 3.13Å; I171-A175 VanDerWaalsContact O-CB 3.31Å; I171-A175 WeakPolarHBondContact O-CB 3.32Å; I171-A175 PolarHBondContact O-N 2.92Å; I171-P179 HydrophobicContact CG2-CG 4.02Å
172I98.8Very high98.7Very high33 Ų3336.8 Ų36.817%0.16919%0.187CC..Hα-helixtrans-59.1-34.5-177.9-72171.1000111.5T168 D169 I174 P179 V202 V204T168-I172 HydrophobicContact CG2-CD1 3.92Å; T168-I172 WeakPolarHBondContact O-CG1 3.1Å; T168-I172 PolarHBondContact O-N 2.89Å; D169-I172 PolarHBondContact O-N 2.99Å; D169-I172 VanDerWaalsContact O-N 3.15Å; I172-I174 PolarHBondContact O-N 3.47Å; I172-P179 HydrophobicContact CD1-CG 4.43Å; I172-P179 HydrophobicContact CG1-CG 3.82Å; I172-V202 HydrophobicContact CD1-CB 3.73Å; I172-V202 HydrophobicContact CD1-CG1 4.34Å; I172-V202 HydrophobicContact CD1-CG2 3.64Å; I172-V204 HydrophobicContact CD1-CG2 4.31Å
173S98.6Very high98.7Very high88 Ų8836.7 Ų36.762%0.61519%0.187SC*.Hα-helixtrans-63.3-26-179.576.80000114D169 D170 I171D169-S173 WeakPolarHBondContact O-CB 3.34Å; D169-S173 PolarHBondContact O-N 2.88Å; D170-S173 PolarHBondContact O-OG 2.66Å; I171-S173 PolarHBondContact O-N 2.91Å
174I98.6Very high98.7Very high68 Ų6836.8 Ų36.835%0.34919%0.187SC..Hα-helixtrans-112.3-10.7-17863.586.5000113.7Q140 W143 V144 I171 I172 K176Q140-I174 HydrophobicContact CB-CD1 4.45Å; Q140-I174 HydrophobicContact CB-CG1 4.42Å; Q140-I174 HydrophobicContact CG-CG1 4.11Å; W143-I174 HydrophobicContact CB-CD1 4.42Å; W143-I174 HydrophobicContact CG-CD1 4.32Å; V144-I174 HydrophobicContact CG2-CD1 4.16Å; I171-I174 PolarHBondContact O-N 3.43Å; I171-I174 VanDerWaalsContact O-N 3.13Å; I172-I174 PolarHBondContact O-N 3.47Å; I174-K176 PolarHBondContact O-N 3.27Å
175A98.4Very high98.7Very high19 Ų1936.7 Ų36.716%0.15719%0.187CC..  trans-72.1122.2-169.300000113.8E147 I171 K178E147-A175 VanDerWaalsContact OE1-CA 3.28Å; E147-A175 WeakPolarHBondContact OE1-CA 3.23Å; I171-A175 VanDerWaalsContact O-CB 3.31Å; I171-A175 WeakPolarHBondContact O-CB 3.32Å; I171-A175 PolarHBondContact O-N 2.92Å; A175-K178 HydrophobicContact CB-CG 4.5Å
176K98.4Very high98.7Very high135 Ų13535.7 Ų35.759%0.58718%0.178SC*.SBendtrans-67.5-46.5158.6176.4-170.5172.3-172.30110.9E147 D151 I174E147-K176 WeakPolarHBondContact OE1-CA 3.38Å; E147-K176 PolarHBondContact OE1-N 3.25Å; D151-K176 IonicContact OD1-NZ 3.67Å; D151-K176 PolarHBondContact OD1-NZ 3.16Å; D151-K176 IonicContact OD2-NZ 3.79Å; D151-K176 PolarHBondContact OD2-NZ 2.87Å; I174-K176 PolarHBondContact O-N 3.27Å
177H98.6Very high98.7Very high56 Ų5631.2 Ų31.226%0.25916%0.161SC..SBendtrans-109104.7173.3-68-72.8000108.1W143 E147 D151 I158W143-H177 WeakPolarHBondContact CZ2-O 3.37Å; E147-H177 HydrophobicContact CG-CB 4.26Å; E147-H177 PolarHBondContact OE1-N 3.38Å; D151-H177 IonicContact OD1-CD2 3.72Å; D151-H177 IonicContact OD1-CE1 3.5Å; D151-H177 IonicContact OD1-NE2 2.72Å; D151-H177 PolarHBondContact OD1-NE2 3.43Å; I158-H177 HydrophobicContact CD1-CB 4.3Å
178K98.4Very high98.6Very high128 Ų12831.2 Ų31.256%0.55716%0.161SC*.  trans-61.6145.3-177.4-67.1-173.4178.1-172.90112A175 V180A175-K178 HydrophobicContact CB-CG 4.5Å; K178-V180 PolarHBondContact O-N 3.33Å
179P98.8Very high98.6Very high2 Ų231.5 Ų31.51%0.01316%0.162CC..  trans-59.4131.817324.7-33000110W143 L160 I171 I172 V204W143-P179 HydrophobicContact CH2-CB 3.54Å; W143-P179 HydrophobicContact CH2-CG 4.34Å; W143-P179 HydrophobicContact CZ2-CB 3.94Å; W143-P179 HydrophobicContact CZ2-CG 4.33Å; W143-P179 HydrophobicContact CZ3-CB 4.38Å; L160-P179 HydrophobicContact CD1-CB 4.06Å; L160-P179 HydrophobicContact CD1-CG 4.18Å; L160-P179 HydrophobicContact CG-CB 3.88Å; I171-P179 HydrophobicContact CG2-CG 4.02Å; I172-P179 HydrophobicContact CD1-CG 4.43Å; I172-P179 HydrophobicContact CG1-CG 3.82Å; P179-V204 HydrophobicContact CG-CG2 4.24Å; P179-V204 WeakPolarHBondContact O-CG2 3.35Å
180V98.8Very high98.5Very high6 Ų628.5 Ų28.54%0.03615%0.146CC..  trans-96.9-22.2-179.4-57.60000113L7 L108 A157 I158 K178 C205L7-V180 HydrophobicContact CB-CB 4.3Å; L7-V180 HydrophobicContact CD1-CB 4.44Å; L7-V180 HydrophobicContact CD1-CG2 4.01Å; L108-V180 HydrophobicContact CD1-CG2 3.71Å; A157-V180 HydrophobicContact CB-CG1 4.15Å; A157-V180 HydrophobicContact CB-CG2 3.6Å; I158-V180 PolarHBondContact O-N 2.84Å; I158-V180 VanDerWaalsContact O-N 3.11Å; K178-V180 PolarHBondContact O-N 3.33Å; V180-C205 WeakPolarHBondContact O-CB 3.25Å; V180-C205 PolarHBondContact O-N 2.98Å
181V98.9Very high98.4Very high0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-138.1142.1-177.41670000110L7 L108 L110 G159 L160 C205L7-V181 HydrophobicContact CD2-CG2 3.72Å; L108-V181 HydrophobicContact CD1-CB 4.48Å; L108-V181 HydrophobicContact CD2-CB 3.94Å; L108-V181 HydrophobicContact CD2-CG1 4.15Å; L108-V181 HydrophobicContact CD2-CG2 3.82Å; L110-V181 HydrophobicContact CD2-CB 4.4Å; L110-V181 HydrophobicContact CD2-CG1 4.34Å; G159-V181 CarbonylContact C-O 3.47Å; G159-V181 WeakPolarHBondContact CA-O 3.27Å; L160-V181 PolarHBondContact N-O 2.77Å; V181-C205 CarbonylContact C-O 3.34Å; V181-C205 WeakPolarHBondContact CA-O 3.25Å; V181-C205 HydrophobicContact CG2-CB 4.09Å
182N98.9Very high98.4Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-117.2116.5158.1-171.36000108.9L160 F163 V184 V204 C205 V206 T207L160-N182 HydrophobicContact CB-CB 4.33Å; L160-N182 CarbonylContact O-C 3.57Å; L160-N182 WeakPolarHBondContact O-CA 3.37Å; F163-N182 PolarHBondContact O-ND2 2.96Å; N182-V184 WeakPolarHBondContact OD1-CG1 3.43Å; N182-V204 HydrophobicContact CB-CG1 3.81Å; N182-C205 PolarHBondContact N-O 3.2Å; N182-V206 WeakPolarHBondContact O-CA 3.43Å; N182-T207 PolarHBondContact O-N 3.28Å
183Q98.9Very high98.3Very high2 Ų227.9 Ų27.91%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-94115.7179.2-167.4179.8111.400110D44 L110 L160 S161 N162 T207 Y209 I260D44-Q183 PolarHBondContact OD2-NE2 3.32Å; L110-Q183 HydrophobicContact CD1-CB 3.72Å; L110-Q183 HydrophobicContact CD1-CG 4.46Å; L160-Q183 PolarHBondContact O-N 2.95Å; S161-Q183 CarbonylContact C-O 3.53Å; S161-Q183 VanDerWaalsContact CA-O 3.22Å; S161-Q183 WeakPolarHBondContact CA-O 3.36Å; S161-Q183 PolarHBondContact OG-O 3.27Å; N162-Q183 PolarHBondContact N-O 3.33Å; Q183-T207 CarbonylContact C-O 3.47Å; Q183-T207 VanDerWaalsContact CA-O 3.28Å; Q183-T207 WeakPolarHBondContact CA-O 3.33Å; Q183-T207 HydrophobicContact CG-CG2 3.85Å; Q183-T207 WeakPolarHBondContact CG-O 3.47Å; Q183-Y209 HydrophobicContact CG-CD1 4.16Å; Q183-I260 HydrophobicContact CG-CD1 4.3Å
184V98.9Very high98.3Very high2 Ų229.8 Ų29.81%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-138161.3-174.2-62.90000111.8N182 C186 Q192 L195 V206 T207 A208 Y209N182-V184 WeakPolarHBondContact OD1-CG1 3.43Å; V184-C186 PolarHBondContact O-N 3.29Å; V184-Q192 HydrophobicContact CG2-CG 4.16Å; V184-L195 HydrophobicContact CG1-CD2 3.99Å; V184-L195 HydrophobicContact CG2-CD2 4.22Å; V184-V206 HydrophobicContact CG2-CG1 3.92Å; V184-T207 PolarHBondContact N-O 3.44Å; V184-A208 WeakPolarHBondContact O-CA 3.23Å; V184-Y209 VanDerWaalsContact CA-CE1 3.41Å; V184-Y209 PolarHBondContact O-N 2.9Å
185E98.6Very high98.3Very high0 Ų026.6 Ų26.60%013%0.134CC..EExtended strand (participates in β ladder)trans-62.1122.2170-169.117515100108.9H187 L190 Q192 Y209 R296 Y297 I298E185-H187 IonicContact OE1-CD2 2.58Å; E185-H187 IonicContact OE1-CE1 2.99Å; E185-H187 IonicContact OE1-NE2 3.22Å; E185-H187 PolarHBondContact OE1-NE2 2.68Å; E185-L190 HydrophobicContact CB-CD2 3.9Å; E185-L190 HydrophobicContact CG-CD2 3.87Å; E185-Q192 WeakPolarHBondContact O-CG 3.18Å; E185-Q192 PolarHBondContact O-NE2 2.93Å; E185-Y209 VanDerWaalsContact CA-CE2 3.46Å; E185-Y209 HydrophobicContact CB-CD2 4.18Å; E185-Y209 HydrophobicContact CB-CE1 4.37Å; E185-Y209 HydrophobicContact CB-CE2 3.4Å; E185-Y209 WeakPolarHBondContact CB-OH 3.43Å; E185-Y209 HydrophobicContact CG-CE2 3.92Å; E185-Y209 PolarHBondContact N-OH 3.11Å; E185-R296 WeakPolarHBondContact OE1-CA 3.47Å; E185-R296 WeakPolarHBondContact OE2-CG 3.33Å; E185-Y297 WeakPolarHBondContact OE1-CB 3.44Å; E185-Y297 PolarHBondContact OE1-N 3.42Å; E185-Y297 PolarHBondContact OE2-N 3.2Å; E185-I298 HydrophobicContact CG-CG1 4.5Å; E185-I298 WeakPolarHBondContact OE2-CA 3.37Å; E185-I298 WeakPolarHBondContact OE2-CB 3.2Å; E185-I298 PolarHBondContact OE2-N 3.35Å
186C98.6Very high98.3Very high1 Ų126 Ų261%0.00713%0.128CC..  trans-150.8121.5178.2-172.10000110.4V184 L190 Q192 A208 Y209 P211 Q252V184-C186 PolarHBondContact O-N 3.29Å; C186-L190 WeakPolarHBondContact CA-O 3.5Å; C186-Q192 HydrophobicContact CB-CB 4.47Å; C186-Q192 HydrophobicContact CB-CG 3.85Å; C186-A208 HydrophobicContact CB-CB 3.7Å; C186-Y209 PolarHBondContact N-O 2.8Å; C186-P211 WeakPolarHBondContact O-CA 3.47Å; C186-Q252 VanDerWaalsContact C-NE2 3.25Å; C186-Q252 PolarHBondContact O-NE2 2.69Å; C186-Q252 PolarHBondContact SG-NE2 3.3Å
187H98.3Very high98.3Very high0 Ų023 Ų230%012%0.124CC..BIsolated β-bridgetrans-160.2173.3178.751.262.8000108.6E185 Y189 L190 S191 S210 P211 L227 Y297E185-H187 IonicContact OE1-CD2 2.58Å; E185-H187 IonicContact OE1-CE1 2.99Å; E185-H187 IonicContact OE1-NE2 3.22Å; E185-H187 PolarHBondContact OE1-NE2 2.68Å; H187-Y189 VanDerWaalsContact C-N 3.26Å; H187-Y189 PolarHBondContact O-N 2.97Å; H187-Y189 VanDerWaalsContact O-N 3.1Å; H187-L190 PolarHBondContact N-O 3.4Å; H187-L190 PolarHBondContact ND1-N 3.28Å; H187-L190 CarbonylContact O-C 3.48Å; H187-L190 WeakPolarHBondContact O-CA 3.23Å; H187-L190 PolarHBondContact O-N 3.38Å; H187-S191 PolarHBondContact O-N 2.94Å; H187-S210 PolarHBondContact CD2-O 3.07Å; H187-P211 WeakPolarHBondContact CB-O 3.25Å; H187-L227 HydrophobicContact CB-CD2 3.89Å; H187-Y297 AromaticContact CE1-CD2 3.81Å; H187-Y297 AromaticContact CE1-CE2 3.91Å; H187-Y297 AromaticContact NE2-CD2 3.47Å; H187-Y297 WeakPolarHBondContact NE2-CD2 3.43Å; H187-Y297 AromaticContact NE2-CE2 3.98Å
188P97.9Very high98.3Very high0 Ų022 Ų220%012%0.12CC..THydrogen-bonded Turntrans-55.4-36.2-172.6-29.137.4000114.7L190 L227 I248 W251 M288 F291 S292P188-L190 VanDerWaalsContact C-N 3.3Å; P188-L190 PolarHBondContact O-N 2.9Å; P188-L227 HydrophobicContact CB-CD1 4.08Å; P188-L227 HydrophobicContact CG-CD1 4.12Å; P188-I248 HydrophobicContact CG-CG1 4.07Å; P188-I248 HydrophobicContact CG-CG2 4.1Å; P188-W251 HydrophobicContact CG-CE3 4.27Å; P188-W251 HydrophobicContact CG-CZ3 4.27Å; P188-M288 HydrophobicContact CB-CE 4.27Å; P188-M288 HydrophobicContact CG-CE 3.48Å; P188-M288 VanDerWaalsContact CG-CE 3.48Å; P188-F291 HydrophobicContact CB-CB 3.88Å; P188-F291 HydrophobicContact CB-CD2 3.86Å; P188-F291 HydrophobicContact CB-CG 4.4Å; P188-F291 CarbonylContact O-C 3.45Å; P188-S292 WeakPolarHBondContact O-CA 3.46Å; P188-S292 PolarHBondContact O-N 2.76Å; P188-S292 VanDerWaalsContact O-N 3.11Å
189Y97.4Very high98.3Very high6 Ų616 Ų162%0.0249%0.093CC..THydrogen-bonded Turntrans-74.2-14.3176.1-62.2-22.9000115.5H187 L227 D230 F291 R293 N294 E295 Y297H187-Y189 VanDerWaalsContact C-N 3.26Å; H187-Y189 PolarHBondContact O-N 2.97Å; H187-Y189 VanDerWaalsContact O-N 3.1Å; Y189-L227 HydrophobicContact CD1-CD1 4.06Å; Y189-L227 HydrophobicContact CD2-CB 4.13Å; Y189-L227 HydrophobicContact CD2-CD1 3.91Å; Y189-L227 HydrophobicContact CE1-CD1 3.96Å; Y189-L227 HydrophobicContact CE2-CB 3.85Å; Y189-L227 HydrophobicContact CE2-CD1 3.82Å; Y189-L227 HydrophobicContact CE2-CG 4.43Å; Y189-L227 HydrophobicContact CG-CD1 4.07Å; Y189-D230 PolarHBondContact OH-OD2 2.95Å; Y189-F291 HydrophobicContact CD1-CB 4.03Å; Y189-F291 WeakPolarHBondContact CD1-O 3.17Å; Y189-F291 HydrophobicContact CE1-CB 4.18Å; Y189-R293 HydrophobicContact CD1-CG 4.31Å; Y189-R293 VanDerWaalsContact CD2-NH2 3.35Å; Y189-R293 VanDerWaalsContact CE2-CZ 3.41Å; Y189-R293 HydrophobicContact CG-CG 4.3Å; Y189-R293 VanDerWaalsContact CZ-CZ 3.48Å; Y189-R293 PolarHBondContact O-N 2.92Å; Y189-R293 VanDerWaalsContact O-N 3.08Å; Y189-N294 PolarHBondContact O-N 2.82Å; Y189-N294 VanDerWaalsContact O-N 3.12Å; Y189-E295 PolarHBondContact O-N 3.37Å; Y189-E295 VanDerWaalsContact O-N 3.14Å; Y189-Y297 HydrophobicContact CD2-CE2 4.38Å; Y189-Y297 WeakPolarHBondContact CD2-OH 3.24Å
190L97.6Very high98.2Very high8 Ų822.3 Ų22.34%0.04212%0.117CC..BIsolated β-bridgetrans-139.876.4176.3-173.469.9000108.1E185 C186 H187 P188 Q192 E295 R296E185-L190 HydrophobicContact CB-CD2 3.9Å; E185-L190 HydrophobicContact CG-CD2 3.87Å; C186-L190 WeakPolarHBondContact CA-O 3.5Å; H187-L190 PolarHBondContact N-O 3.4Å; H187-L190 PolarHBondContact ND1-N 3.28Å; H187-L190 CarbonylContact O-C 3.48Å; H187-L190 WeakPolarHBondContact O-CA 3.23Å; H187-L190 PolarHBondContact O-N 3.38Å; P188-L190 VanDerWaalsContact C-N 3.3Å; P188-L190 PolarHBondContact O-N 2.9Å; L190-Q192 HydrophobicContact CG-CG 4.49Å; L190-Q192 PolarHBondContact O-N 3.49Å; L190-E295 WeakPolarHBondContact CB-O 3.43Å; L190-R296 HydrophobicContact CD2-CB 4.12Å; L190-R296 HydrophobicContact CD2-CG 4.14Å
191S96.9Very high98.2Very high9 Ų926.6 Ų26.66%0.06315%0.147CC..  trans-72.1-11.3-167.266.60000115H187 A193 R255 S292H187-S191 PolarHBondContact O-N 2.94Å; S191-A193 PolarHBondContact O-N 2.68Å; S191-R255 PolarHBondContact O-NH1 3.44Å; S191-S292 PolarHBondContact OG-OG 2.97Å
192Q97.9Very high98.2Very high6 Ų628.7 Ų28.73%0.02816%0.16CC..  trans56.136.1-179.9-66.1-77.60.200112.2V184 E185 C186 L190 E194 L195 L196 Y324V184-Q192 HydrophobicContact CG2-CG 4.16Å; E185-Q192 WeakPolarHBondContact O-CG 3.18Å; E185-Q192 PolarHBondContact O-NE2 2.93Å; C186-Q192 HydrophobicContact CB-CB 4.47Å; C186-Q192 HydrophobicContact CB-CG 3.85Å; L190-Q192 HydrophobicContact CG-CG 4.49Å; L190-Q192 PolarHBondContact O-N 3.49Å; Q192-E194 PolarHBondContact O-N 2.84Å; Q192-L195 VanDerWaalsContact OE1-CD2 3.27Å; Q192-L196 WeakPolarHBondContact O-CA 3.39Å; Q192-L196 WeakPolarHBondContact O-CB 3.41Å; Q192-L196 PolarHBondContact O-N 2.63Å; Q192-Y324 PolarHBondContact NE2-OH 3.44Å
193A97Very high98.2Very high50 Ų5030.6 Ų30.641%0.41318%0.179SC..Hα-helixtrans-58.8-50-168.600000112.9S191 S197S191-A193 PolarHBondContact O-N 2.68Å; A193-S197 WeakPolarHBondContact O-CB 3.4Å; A193-S197 PolarHBondContact O-N 3.23Å
194E97.9Very high98.1Very high127 Ų12730.7 Ų30.759%0.59318%0.18SC*.Hα-helixtrans-76.4-41.8-177.2-29.2177.2151.800110.9Q192 L196 S197 H198 Y324Q192-E194 PolarHBondContact O-N 2.84Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 3.12Å; E194-S197 WeakPolarHBondContact O-CB 3.41Å; E194-S197 PolarHBondContact O-N 3.41Å; E194-S197 VanDerWaalsContact O-N 3.14Å; E194-H198 WeakPolarHBondContact O-CB 3.47Å; E194-H198 PolarHBondContact O-N 3.22Å; E194-Y324 WeakPolarHBondContact CB-OXT 3.44Å; E194-Y324 WeakPolarHBondContact CG-OXT 3.4Å; E194-Y324 PolarHBondContact N-OXT 3.22Å; E194-Y324 WeakPolarHBondContact OE2-CA 3.44Å
195L98.4Very high98.1Very high1 Ų131.6 Ų31.61%0.00519%0.186CC..Hα-helixtrans-60-38.7173.9-174.261.9000112.8A165 V184 Q192 H198 C199 Y324A165-L195 HydrophobicContact CB-CD1 4.24Å; V184-L195 HydrophobicContact CG1-CD2 3.99Å; V184-L195 HydrophobicContact CG2-CD2 4.22Å; Q192-L195 VanDerWaalsContact OE1-CD2 3.27Å; L195-H198 PolarHBondContact O-N 3.28Å; L195-C199 WeakPolarHBondContact O-CB 3.44Å; L195-C199 PolarHBondContact O-N 2.75Å; L195-C199 PolarHBondContact O-SG 3.27Å; L195-Y324 HydrophobicContact CB-CD2 3.66Å; L195-Y324 HydrophobicContact CB-CE2 4.17Å; L195-Y324 HydrophobicContact CB-CG 4.06Å; L195-Y324 HydrophobicContact CD2-CD2 4.47Å; L195-Y324 HydrophobicContact CD2-CE2 4.25Å
196L98Very high98.1Very high6 Ų631.8 Ų31.83%0.03119%0.187CC..Hα-helixtrans-66.4-41.5175.6178.760.8000111.2Q192 E194 R200 V206 V257Q192-L196 WeakPolarHBondContact O-CA 3.39Å; Q192-L196 WeakPolarHBondContact O-CB 3.41Å; Q192-L196 PolarHBondContact O-N 2.63Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 3.12Å; L196-R200 WeakPolarHBondContact O-CB 3.46Å; L196-R200 VanDerWaalsContact O-CG 3.25Å; L196-R200 WeakPolarHBondContact O-CG 3.49Å; L196-R200 PolarHBondContact O-N 3.44Å; L196-R200 VanDerWaalsContact O-N 3.07Å; L196-V206 HydrophobicContact CD1-CB 3.84Å; L196-V206 HydrophobicContact CD1-CG2 3.6Å; L196-V257 HydrophobicContact CD1-CG2 3.77Å; L196-V257 HydrophobicContact CD2-CG2 3.82Å; L196-V257 HydrophobicContact CG-CG2 4.48Å
197S98.3Very high98.2Very high74 Ų7431.8 Ų31.852%0.51719%0.187SC..Hα-helixtrans-60.8-46.9174.2-170.90000111.1A193 E194 R200 S201A193-S197 WeakPolarHBondContact O-CB 3.4Å; A193-S197 PolarHBondContact O-N 3.23Å; E194-S197 WeakPolarHBondContact O-CB 3.41Å; E194-S197 PolarHBondContact O-N 3.41Å; E194-S197 VanDerWaalsContact O-N 3.14Å; S197-R200 PolarHBondContact O-N 2.69Å; S197-S201 PolarHBondContact O-N 3.33Å
198H98.8Very high98.2Very high35 Ų3531.8 Ų31.816%0.16219%0.187CC..Hα-helixtrans-60.3-53.8176.4173.778.5000111.8A165 D169 E194 L195 R200 S201 V202A165-H198 HydrophobicContact CB-CB 4.4Å; A165-H198 PolarHBondContact O-NE2 2.56Å; D169-H198 IonicContact OD1-CE1 2.75Å; D169-H198 PolarHBondContact OD1-CE1 2.85Å; D169-H198 IonicContact OD1-NE2 3.22Å; D169-H198 IonicContact OD2-CE1 2.82Å; D169-H198 PolarHBondContact OD2-CE1 2.94Å; D169-H198 VanDerWaalsContact OD2-CE1 3.31Å; E194-H198 WeakPolarHBondContact O-CB 3.47Å; E194-H198 PolarHBondContact O-N 3.22Å; L195-H198 PolarHBondContact O-N 3.28Å; H198-R200 PolarHBondContact O-N 2.84Å; H198-S201 PolarHBondContact O-N 3.4Å; H198-S201 PolarHBondContact O-OG 3.02Å; H198-V202 WeakPolarHBondContact O-CG2 3.35Å; H198-V202 PolarHBondContact O-N 3.25Å
199C98.7Very high98.2Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-55.6-40.8179.2-70.90000111.6L195 V202 G203 V204 V206L195-C199 WeakPolarHBondContact O-CB 3.44Å; L195-C199 PolarHBondContact O-N 2.75Å; L195-C199 PolarHBondContact O-SG 3.27Å; C199-V202 WeakPolarHBondContact O-CG2 3.44Å; C199-V202 PolarHBondContact O-N 2.87Å; C199-G203 PolarHBondContact O-N 3.48Å; C199-G203 VanDerWaalsContact O-N 3.09Å; C199-V204 CarbonylContact C-O 3.52Å; C199-V204 HydrophobicContact CB-CB 4.03Å; C199-V204 HydrophobicContact CB-CG1 4.26Å; C199-V204 WeakPolarHBondContact CB-O 3.41Å; C199-V204 PolarHBondContact O-N 2.82Å; C199-V204 VanDerWaalsContact O-O 3.14Å; C199-V206 HydrophobicContact CB-CG2 3.67Å
200R98Very high98.3Very high136 Ų13633.3 Ų33.351%0.51320%0.195SC..Hα-helixtrans-63.2-42175.5-74.4170.9-178.6164.70.1112.8L196 S197 H198 V202 G203 R255L196-R200 WeakPolarHBondContact O-CB 3.46Å; L196-R200 VanDerWaalsContact O-CG 3.25Å; L196-R200 WeakPolarHBondContact O-CG 3.49Å; L196-R200 PolarHBondContact O-N 3.44Å; L196-R200 VanDerWaalsContact O-N 3.07Å; S197-R200 PolarHBondContact O-N 2.69Å; H198-R200 PolarHBondContact O-N 2.84Å; R200-V202 PolarHBondContact O-N 3.46Å; R200-G203 PolarHBondContact O-N 3.28Å; R200-R255 PolarHBondContact NH2-O 3.39Å
201S98.4Very high98.3Very high95 Ų9533 Ų3366%0.66419%0.194SC*.Hα-helixtrans-64.9-27.8-178.676.90000112.5S197 H198S197-S201 PolarHBondContact O-N 3.33Å; H198-S201 PolarHBondContact O-N 3.4Å; H198-S201 PolarHBondContact O-OG 3.02Å
202V98.4Very high98.3Very high45 Ų4534.2 Ų34.227%0.27320%0.199SC..THydrogen-bonded Turntrans-101.26.8177.9-57.70000114.2T168 I172 H198 C199 R200 V204T168-V202 HydrophobicContact CG2-CG2 4.49Å; I172-V202 HydrophobicContact CD1-CB 3.73Å; I172-V202 HydrophobicContact CD1-CG1 4.34Å; I172-V202 HydrophobicContact CD1-CG2 3.64Å; H198-V202 WeakPolarHBondContact O-CG2 3.35Å; H198-V202 PolarHBondContact O-N 3.25Å; C199-V202 WeakPolarHBondContact O-CG2 3.44Å; C199-V202 PolarHBondContact O-N 2.87Å; R200-V202 PolarHBondContact O-N 3.46Å; V202-V204 HydrophobicContact CG2-CB 4.29Å; V202-V204 HydrophobicContact CG2-CG2 3.81Å
203G98.2Very high98.2Very high39 Ų3934 Ų3440%0.40220%0.199SC..THydrogen-bonded Turntrans75.224.6175.100000115.1S8 C199 R200S8-G203 WeakPolarHBondContact CB-O 3.38Å; S8-G203 PolarHBondContact OG-O 3.42Å; C199-G203 PolarHBondContact O-N 3.48Å; C199-G203 VanDerWaalsContact O-N 3.09Å; R200-G203 PolarHBondContact O-N 3.28Å
204V98.8Very high98Very high5 Ų532.6 Ų32.63%0.0319%0.186CC..PPolyproline II helixtrans-98.4126.1176.1176.30000109.5T168 I172 P179 N182 C199 V202T168-V204 HydrophobicContact CG2-CG2 4.37Å; I172-V204 HydrophobicContact CD1-CG2 4.31Å; P179-V204 HydrophobicContact CG-CG2 4.24Å; P179-V204 WeakPolarHBondContact O-CG2 3.35Å; N182-V204 HydrophobicContact CB-CG1 3.81Å; C199-V204 CarbonylContact C-O 3.52Å; C199-V204 HydrophobicContact CB-CB 4.03Å; C199-V204 HydrophobicContact CB-CG1 4.26Å; C199-V204 WeakPolarHBondContact CB-O 3.41Å; C199-V204 PolarHBondContact O-N 2.82Å; C199-V204 VanDerWaalsContact O-O 3.14Å; V202-V204 HydrophobicContact CG2-CB 4.29Å; V202-V204 HydrophobicContact CG2-CG2 3.81Å
205C98.6Very high97.5Very high20 Ų2029.1 Ų29.114%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-77.9140174.6177.90000110.9L7 V180 V181 N182L7-C205 HydrophobicContact CD2-CB 3.62Å; V180-C205 WeakPolarHBondContact O-CB 3.25Å; V180-C205 PolarHBondContact O-N 2.98Å; V181-C205 CarbonylContact C-O 3.34Å; V181-C205 WeakPolarHBondContact CA-O 3.25Å; V181-C205 HydrophobicContact CG2-CB 4.09Å; N182-C205 PolarHBondContact N-O 3.2Å
206V98.9Very high96.9Very high5 Ų533.5 Ų33.53%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-94.6131.3174.1177.70000110.5N182 V184 L196 C199 V257 V258N182-V206 WeakPolarHBondContact O-CA 3.43Å; V184-V206 HydrophobicContact CG2-CG1 3.92Å; L196-V206 HydrophobicContact CD1-CB 3.84Å; L196-V206 HydrophobicContact CD1-CG2 3.6Å; C199-V206 HydrophobicContact CB-CG2 3.67Å; V206-V257 HydrophobicContact CB-CG1 4.42Å; V206-V257 HydrophobicContact CG1-CG1 4.07Å; V206-V258 PolarHBondContact O-N 3.48Å
207T98.9Very high96.6Very high1 Ų133.9 Ų33.91%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-109.5118.4166.4-61.10000109.8N182 Q183 V184 Y209 V258 I260N182-T207 PolarHBondContact O-N 3.28Å; Q183-T207 CarbonylContact C-O 3.47Å; Q183-T207 VanDerWaalsContact CA-O 3.28Å; Q183-T207 WeakPolarHBondContact CA-O 3.33Å; Q183-T207 HydrophobicContact CG-CG2 3.85Å; Q183-T207 WeakPolarHBondContact CG-O 3.47Å; V184-T207 PolarHBondContact N-O 3.44Å; T207-Y209 PolarHBondContact O-N 3.26Å; T207-V258 CarbonylContact C-O 3.56Å; T207-V258 WeakPolarHBondContact CA-O 3.28Å; T207-V258 HydrophobicContact CG2-CB 4.2Å; T207-V258 HydrophobicContact CG2-CG1 3.98Å; T207-I260 HydrophobicContact CG2-CD1 4.1Å; T207-I260 HydrophobicContact CG2-CG1 3.96Å; T207-I260 HydrophobicContact CG2-CG2 4.01Å
208A98.9Very high95.9Very high0 Ų035.1 Ų35.10%022%0.215CC..EExtended strand (participates in β ladder)trans-75.3106.9173.500000110.8V184 C186 P211 V257 V258 I260V184-A208 WeakPolarHBondContact O-CA 3.23Å; C186-A208 HydrophobicContact CB-CB 3.7Å; A208-P211 HydrophobicContact CB-CB 4.32Å; A208-V257 HydrophobicContact CB-CG1 3.78Å; A208-V258 PolarHBondContact N-O 2.98Å; A208-I260 WeakPolarHBondContact O-CG1 3.45Å; A208-I260 PolarHBondContact O-N 3.09Å
209Y98.8Very high95.2Very high24 Ų2436.5 Ų36.59%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-82.9159.9158.377.8-114.8000110N162 Q183 V184 E185 C186 T207 P211 I298N162-Y209 VanDerWaalsContact OD1-CE1 3.23Å; N162-Y209 WeakPolarHBondContact OD1-CE1 3.34Å; N162-Y209 PolarHBondContact OD1-OH 3.26Å; Q183-Y209 HydrophobicContact CG-CD1 4.16Å; V184-Y209 VanDerWaalsContact CA-CE1 3.41Å; V184-Y209 PolarHBondContact O-N 2.9Å; E185-Y209 VanDerWaalsContact CA-CE2 3.46Å; E185-Y209 HydrophobicContact CB-CD2 4.18Å; E185-Y209 HydrophobicContact CB-CE1 4.37Å; E185-Y209 HydrophobicContact CB-CE2 3.4Å; E185-Y209 WeakPolarHBondContact CB-OH 3.43Å; E185-Y209 HydrophobicContact CG-CE2 3.92Å; E185-Y209 PolarHBondContact N-OH 3.11Å; C186-Y209 PolarHBondContact N-O 2.8Å; T207-Y209 PolarHBondContact O-N 3.26Å; Y209-P211 VanDerWaalsContact C-N 3.27Å; Y209-I298 HydrophobicContact CD2-CG1 4.41Å; Y209-I298 HydrophobicContact CE2-CB 3.76Å; Y209-I298 HydrophobicContact CE2-CG1 3.75Å; Y209-I298 HydrophobicContact CE2-CG2 3.97Å
210S97.8Very high94.5Very high13 Ų1338.3 Ų38.39%0.09123%0.234CC..SBendtrans49.639.7-174-67.20000114.2H187 L212 G213 S214 I298H187-S210 PolarHBondContact CD2-O 3.07Å; S210-L212 PolarHBondContact O-N 3.43Å; S210-G213 PolarHBondContact O-N 3.47Å; S210-S214 VanDerWaalsContact CB-OG 3.25Å; S210-S214 WeakPolarHBondContact CB-OG 3.09Å; S210-S214 PolarHBondContact OG-OG 2.78Å; S210-I298 WeakPolarHBondContact OG-CG1 3.34Å
211P98.3Very high93.7Very high3 Ų334.2 Ų34.22%0.01923%0.226CC..THydrogen-bonded Turntrans-62.8-19.9-172.328-35.9000113C186 H187 A208 Y209 I248 L249 C259 P261C186-P211 WeakPolarHBondContact O-CA 3.47Å; H187-P211 WeakPolarHBondContact CB-O 3.25Å; A208-P211 HydrophobicContact CB-CB 4.32Å; Y209-P211 VanDerWaalsContact C-N 3.27Å; P211-I248 WeakPolarHBondContact O-CG2 3.42Å; P211-L249 HydrophobicContact CB-CD2 4.04Å; P211-L249 HydrophobicContact CG-CD2 3.98Å; P211-C259 HydrophobicContact CB-CB 4.45Å; P211-C259 HydrophobicContact CG-CB 4.4Å; P211-P261 HydrophobicContact CG-CB 4.04Å
212L97.9Very high92.9Very high33 Ų3335.9 Ų35.917%0.17323%0.234CC..THydrogen-bonded Turntrans-100.617.8178.8-53.5-178.6000113.2S210 S214 L228 A245 I248 L249 P261S210-L212 PolarHBondContact O-N 3.43Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.4Å; L212-L228 HydrophobicContact CD2-CD2 4.48Å; L212-A245 HydrophobicContact CD1-CB 4.24Å; L212-A245 HydrophobicContact CD2-CB 3.91Å; L212-I248 HydrophobicContact CD2-CB 4.33Å; L212-I248 HydrophobicContact CD2-CD1 4.29Å; L212-L249 HydrophobicContact CD2-CD1 4.35Å; L212-L249 HydrophobicContact CD2-CD2 4.24Å; L212-L249 HydrophobicContact CD2-CG 3.98Å; L212-P261 HydrophobicContact CD1-CB 3.95Å; L212-P261 HydrophobicContact CG-CB 4.26Å
213G95.2Very high92.2Very high3 Ų340.9 Ų40.93%0.03126%0.26CS..THydrogen-bonded Turntrans77.33.517400000116S210 G215 Y297S210-G213 PolarHBondContact O-N 3.47Å; G213-G215 VanDerWaalsContact C-N 3.33Å; G213-G215 PolarHBondContact O-N 2.52Å; G213-G215 VanDerWaalsContact O-N 3.16Å; G213-Y297 WeakPolarHBondContact O-CD2 3.41Å
214S92.5Very high91.5Very high19 Ų1942.2 Ų42.213%0.13326%0.255CS..THydrogen-bonded Turntrans45.451.1173.7-76.70000114.4S210 L212 D216 R217S210-S214 VanDerWaalsContact CB-OG 3.25Å; S210-S214 WeakPolarHBondContact CB-OG 3.09Å; S210-S214 PolarHBondContact OG-OG 2.78Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.4Å; S214-D216 PolarHBondContact O-N 3.01Å; S214-D216 VanDerWaalsContact O-N 3.12Å; S214-R217 WeakPolarHBondContact O-CB 3.18Å; S214-R217 WeakPolarHBondContact O-CD 3.44Å; S214-R217 WeakPolarHBondContact O-CG 3.49Å; S214-R217 PolarHBondContact O-N 2.82Å; S214-R217 PolarHBondContact O-NH1 2.62Å; S214-R217 VanDerWaalsContact O-NH1 3.16Å
215G87.9Confident90.8Very high55 Ų5545.3 Ų45.357%0.56728%0.276SS*.THydrogen-bonded Turntrans-61.7-18-179.700000114.6G213G213-G215 VanDerWaalsContact C-N 3.33Å; G213-G215 PolarHBondContact O-N 2.52Å; G213-G215 VanDerWaalsContact O-N 3.16Å
216D86.7Confident90.4Very high93 Ų9346.8 Ų46.850%0.49729%0.286SS..THydrogen-bonded Turntrans-92.54.517773.6-36.9000113.4K22 S214K22-D216 VanDerWaalsContact NZ-C 3.31Å; K22-D216 PolarHBondContact NZ-O 3.37Å; K22-D216 IonicContact NZ-OD1 3.21Å; K22-D216 IonicContact NZ-OD2 3.85Å; K22-D216 PolarHBondContact NZ-OD2 2.79Å; S214-D216 PolarHBondContact O-N 3.01Å; S214-D216 VanDerWaalsContact O-N 3.12Å
217R90.3Very high90.1Very high14 Ų1446.7 Ų46.75%0.05329%0.285CS..  trans-58.9148.4-176.767.4-165.9-176.6-75.61.4111.7S214 W219 A220 E224 Y297 I298S214-R217 WeakPolarHBondContact O-CB 3.18Å; S214-R217 WeakPolarHBondContact O-CD 3.44Å; S214-R217 WeakPolarHBondContact O-CG 3.49Å; S214-R217 PolarHBondContact O-N 2.82Å; S214-R217 PolarHBondContact O-NH1 2.62Å; S214-R217 VanDerWaalsContact O-NH1 3.16Å; R217-W219 HydrophobicContact CG-CG 4.43Å; R217-W219 PolarHBondContact O-N 2.97Å; R217-A220 HydrophobicContact CG-CB 3.92Å; R217-A220 WeakPolarHBondContact O-CB 3.38Å; R217-A220 PolarHBondContact O-N 2.9Å; R217-E224 IonicContact CZ-OE2 2.82Å; R217-E224 IonicContact NH1-OE2 2.81Å; R217-E224 IonicContact NH2-OE1 2.78Å; R217-E224 PolarHBondContact NH2-OE1 2.83Å; R217-E224 IonicContact NH2-OE2 3.27Å; R217-E224 PolarHBondContact NH2-OE2 3.14Å; R217-Y297 PolarHBondContact NE-O 3.16Å; R217-I298 HydrophobicContact CB-CD1 4.46Å
218P83.8Confident90Very high99 Ų9949.7 Ų49.764%0.64330%0.301SS*.THydrogen-bonded Turntrans-59.1-19.8-170.3-25.234.8000115.5
219W83.7Confident89.8Confident65 Ų6557 Ų5725%0.24634%0.335CS..THydrogen-bonded Turntrans-117.319.1-176.456.868.5000112.7W21 R217 Y297 I298 R308W21-W219 HydrophobicContact CH2-CH2 4.43Å; R217-W219 HydrophobicContact CG-CG 4.43Å; R217-W219 PolarHBondContact O-N 2.97Å; W219-Y297 PolarHBondContact NE1-O 3.27Å; W219-I298 HydrophobicContact CZ2-CD1 4.21Å; W219-I298 HydrophobicContact CZ2-CG2 4.39Å; W219-R308 VanDerWaalsContact CB-NH2 3.29Å; W219-R308 PolarHBondContact O-NH1 3.02Å
220A85Confident89.7Confident37 Ų3757.2 Ų57.231%0.30634%0.338SS..  trans-63.2137.6170.500000109.6R217 E224R217-A220 HydrophobicContact CG-CB 3.92Å; R217-A220 WeakPolarHBondContact O-CB 3.38Å; R217-A220 PolarHBondContact O-N 2.9Å; A220-E224 WeakPolarHBondContact CA-OE2 3.32Å
221S80.4Confident89.6Confident50 Ų5061.9 Ų61.935%0.3537%0.367SS..  trans-90.3142.8168.6-175.10000109.8D223 E224S221-D223 PolarHBondContact O-N 3.03Å; S221-D223 PolarHBondContact OG-N 2.83Å; S221-E224 PolarHBondContact N-OE2 2.97Å; S221-E224 PolarHBondContact O-N 3.32Å; S221-E224 VanDerWaalsContact O-N 3.15Å
222P81.6Confident89.5Confident130 Ų13062.5 Ų62.584%0.84437%0.374SS*.THydrogen-bonded Turntrans-56.7-26.4170.4-2434.5000113.8
223D83.6Confident89.5Confident151 Ų15160.9 Ų60.981%0.80737%0.366SS*.THydrogen-bonded Turntrans-88.8-7.8-178-55.6-45.6000113.3S221S221-D223 PolarHBondContact O-N 3.03Å; S221-D223 PolarHBondContact OG-N 2.83Å
224E83.8Confident89.6Confident66 Ų6662.3 Ų62.331%0.30838%0.381SS..SBendtrans-72134.8177.2-82.3166.4168.100110.6R217 A220 S221 C226R217-E224 IonicContact CZ-OE2 2.82Å; R217-E224 IonicContact NH1-OE2 2.81Å; R217-E224 IonicContact NH2-OE1 2.78Å; R217-E224 PolarHBondContact NH2-OE1 2.83Å; R217-E224 IonicContact NH2-OE2 3.27Å; R217-E224 PolarHBondContact NH2-OE2 3.14Å; A220-E224 WeakPolarHBondContact CA-OE2 3.32Å; S221-E224 PolarHBondContact N-OE2 2.97Å; S221-E224 PolarHBondContact O-N 3.32Å; S221-E224 VanDerWaalsContact O-N 3.15Å; E224-C226 PolarHBondContact O-N 2.82Å
225P84.2Confident89.9Confident70 Ų7063.5 Ų63.546%0.45539%0.391SS..  trans-57.9127.6177.3-23.732.7000111.8L227 Y297P225-L227 PolarHBondContact O-N 2.72Å; P225-Y297 PolarHBondContact O-OH 2.76Å
226C90.6Very high90.4Very high51 Ų5160.9 Ų60.935%0.34536%0.364SS..  trans-80.7111.2173.6-178.50000109.6E224 L228 Q229 D230E224-C226 PolarHBondContact O-N 2.82Å; C226-L228 PolarHBondContact O-N 3.21Å; C226-L228 VanDerWaalsContact O-N 3.12Å; C226-Q229 HydrophobicContact CB-CB 4.13Å; C226-Q229 HydrophobicContact CB-CG 4.04Å; C226-Q229 WeakPolarHBondContact O-CA 3.35Å; C226-Q229 WeakPolarHBondContact O-CB 3.47Å; C226-Q229 PolarHBondContact O-N 2.8Å; C226-D230 PolarHBondContact O-N 2.93Å
227L93.1Very high90.9Very high4 Ų456.6 Ų56.62%0.02134%0.342CS..G310 helixtrans-49.1-39.8177.7171.664.7000113.2H187 P188 Y189 P225 Q229 D230 L233 I248H187-L227 HydrophobicContact CB-CD2 3.89Å; P188-L227 HydrophobicContact CB-CD1 4.08Å; P188-L227 HydrophobicContact CG-CD1 4.12Å; Y189-L227 HydrophobicContact CD1-CD1 4.06Å; Y189-L227 HydrophobicContact CD2-CB 4.13Å; Y189-L227 HydrophobicContact CD2-CD1 3.91Å; Y189-L227 HydrophobicContact CE1-CD1 3.96Å; Y189-L227 HydrophobicContact CE2-CB 3.85Å; Y189-L227 HydrophobicContact CE2-CD1 3.82Å; Y189-L227 HydrophobicContact CE2-CG 4.43Å; Y189-L227 HydrophobicContact CG-CD1 4.07Å; P225-L227 PolarHBondContact O-N 2.72Å; L227-Q229 PolarHBondContact O-N 2.89Å; L227-D230 WeakPolarHBondContact O-CB 3.27Å; L227-D230 PolarHBondContact O-N 2.88Å; L227-L233 VanDerWaalsContact O-CD2 3.31Å; L227-L233 WeakPolarHBondContact O-CD2 3.47Å; L227-I248 HydrophobicContact CD2-CD1 3.89Å; L227-I248 HydrophobicContact CG-CD1 3.94Å
228L96Very high91.3Very high63 Ų6362.8 Ų62.833%0.3338%0.376SS..G310 helixtrans-69.4-12179.6-69.7172.5000113.9L212 C226 P244 A245 I248L212-L228 HydrophobicContact CD2-CD2 4.48Å; C226-L228 PolarHBondContact O-N 3.21Å; C226-L228 VanDerWaalsContact O-N 3.12Å; L228-P244 HydrophobicContact CD2-CB 4.21Å; L228-A245 HydrophobicContact CD2-CB 4Å; L228-I248 HydrophobicContact CD2-CD1 3.75Å
229Q95.3Very high91.9Very high154 Ų15464.4 Ų64.472%0.7237%0.369SS*.G310 helixtrans-108.56.9178.1-62.5178.3-1.200112.5C226 L227 P231C226-Q229 HydrophobicContact CB-CB 4.13Å; C226-Q229 HydrophobicContact CB-CG 4.04Å; C226-Q229 WeakPolarHBondContact O-CA 3.35Å; C226-Q229 WeakPolarHBondContact O-CB 3.47Å; C226-Q229 PolarHBondContact O-N 2.8Å; L227-Q229 PolarHBondContact O-N 2.89Å; Q229-P231 WeakPolarHBondContact O-CD 3.4Å
230D95.3Very high92.6Very high29 Ų2963.4 Ų63.416%0.15537%0.367CS..  trans-58.9123.1175.8-171.3-67.7000110.1Y189 C226 L227 G232 L233 G234Y189-D230 PolarHBondContact OH-OD2 2.95Å; C226-D230 PolarHBondContact O-N 2.93Å; L227-D230 WeakPolarHBondContact O-CB 3.27Å; L227-D230 PolarHBondContact O-N 2.88Å; D230-G232 VanDerWaalsContact C-N 3.25Å; D230-G232 PolarHBondContact O-N 3.31Å; D230-G232 WeakPolarHBondContact OD1-CA 3.38Å; D230-G232 PolarHBondContact OD1-N 2.9Å; D230-L233 HydrophobicContact CB-CB 3.93Å; D230-L233 WeakPolarHBondContact O-CB 3.3Å; D230-L233 PolarHBondContact O-N 2.9Å; D230-L233 VanDerWaalsContact O-N 3.1Å; D230-L233 PolarHBondContact OD1-N 3.42Å; D230-G234 PolarHBondContact O-N 3.25Å
231P95.8Very high93.2Very high110 Ų11067 Ų6771%0.71439%0.39SS*.Hα-helixtrans-60.2-34.3-177.8-25.634.5000113.5Q229 G234 A235Q229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-G234 PolarHBondContact O-N 3.45Å; P231-A235 PolarHBondContact O-N 2.9Å
232G96.5Very high94Very high16 Ų1666.7 Ų66.717%0.16538%0.384CS..Hα-helixtrans-64.8-42.8175.900000111.2D230 A235 I236D230-G232 VanDerWaalsContact C-N 3.25Å; D230-G232 PolarHBondContact O-N 3.31Å; D230-G232 WeakPolarHBondContact OD1-CA 3.38Å; D230-G232 PolarHBondContact OD1-N 2.9Å; G232-A235 PolarHBondContact O-N 3.34Å; G232-I236 WeakPolarHBondContact O-CG1 3.38Å; G232-I236 PolarHBondContact O-N 2.82Å
233L97.5Very high94.8Very high0 Ų062.5 Ų62.50%036%0.355CS..Hα-helixtrans-64.1-41.4173.9-177.764.5000111.7L227 D230 A235 I236 A237 P244 V247 I248 M288 F291L227-L233 VanDerWaalsContact O-CD2 3.31Å; L227-L233 WeakPolarHBondContact O-CD2 3.47Å; D230-L233 HydrophobicContact CB-CB 3.93Å; D230-L233 WeakPolarHBondContact O-CB 3.3Å; D230-L233 PolarHBondContact O-N 2.9Å; D230-L233 VanDerWaalsContact O-N 3.1Å; D230-L233 PolarHBondContact OD1-N 3.42Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 3.39Å; L233-I236 PolarHBondContact O-N 2.79Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 3.16Å; L233-P244 HydrophobicContact CD2-CB 3.65Å; L233-P244 HydrophobicContact CG-CB 3.91Å; L233-V247 HydrophobicContact CD1-CB 3.94Å; L233-V247 HydrophobicContact CD1-CG1 3.53Å; L233-I248 HydrophobicContact CD1-CG1 3.94Å; L233-I248 HydrophobicContact CD2-CD1 3.6Å; L233-I248 HydrophobicContact CD2-CG1 3.75Å; L233-M288 HydrophobicContact CD1-CE 3.92Å; L233-M288 HydrophobicContact CD1-SD 3.68Å; L233-F291 HydrophobicContact CB-CE2 4.03Å
234G97.9Very high95.5Very high33 Ų3357.1 Ų57.134%0.3433%0.329SS..Hα-helixtrans-60-40.4175.600000112.8D230 P231 A237 L238D230-G234 PolarHBondContact O-N 3.25Å; P231-G234 PolarHBondContact O-N 3.45Å; G234-A237 PolarHBondContact O-N 3.3Å; G234-L238 PolarHBondContact O-N 3.09Å
235A97.9Very high96.2Very high43 Ų4354.7 Ų54.736%0.35532%0.32SS..Hα-helixtrans-64.4-41.617600000112.4P231 G232 L233 L238 R239P231-A235 PolarHBondContact O-N 2.9Å; G232-A235 PolarHBondContact O-N 3.34Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 3.39Å; A235-L238 PolarHBondContact O-N 3.45Å; A235-R239 PolarHBondContact O-N 2.99Å
236I98.4Very high96.9Very high0 Ų052.1 Ų52.10%030%0.302CS..Hα-helixtrans-63.8-46.6174.4-61.8162.3000110G232 L233 L238 R239 H240 V247 L280 D284 Q287 M288 F291G232-I236 WeakPolarHBondContact O-CG1 3.38Å; G232-I236 PolarHBondContact O-N 2.82Å; L233-I236 PolarHBondContact O-N 2.79Å; I236-L238 VanDerWaalsContact C-N 3.29Å; I236-L238 PolarHBondContact O-N 3.49Å; I236-R239 VanDerWaalsContact CG1-NH2 3.3Å; I236-R239 WeakPolarHBondContact O-CB 3.5Å; I236-R239 PolarHBondContact O-N 2.67Å; I236-R239 VanDerWaalsContact O-N 3.13Å; I236-H240 PolarHBondContact O-CD2 3.03Å; I236-H240 VanDerWaalsContact O-CD2 3.3Å; I236-H240 PolarHBondContact O-N 3.38Å; I236-V247 HydrophobicContact CB-CG1 4.23Å; I236-V247 HydrophobicContact CG2-CG1 3.58Å; I236-V247 HydrophobicContact CG2-CG2 4.23Å; I236-L280 HydrophobicContact CG2-CD2 3.95Å; I236-D284 HydrophobicContact CG2-CB 4.18Å; I236-Q287 HydrophobicContact CD1-CB 4.26Å; I236-Q287 HydrophobicContact CD1-CG 4.09Å; I236-M288 HydrophobicContact CD1-CG 3.89Å; I236-M288 HydrophobicContact CD1-SD 3.57Å; I236-M288 VanDerWaalsContact CD1-SD 3.57Å; I236-F291 HydrophobicContact CD1-CE2 4.3Å; I236-F291 HydrophobicContact CD1-CZ 4.12Å
237A98.3Very high97.3Very high4 Ų449.7 Ų49.73%0.03329%0.286CS..Hα-helixtrans-56.3-43.3179.100000112.3L233 G234 H240 S241 M242 P244 V247L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 3.16Å; G234-A237 PolarHBondContact O-N 3.3Å; A237-H240 PolarHBondContact O-N 3.24Å; A237-S241 PolarHBondContact O-N 2.99Å; A237-S241 VanDerWaalsContact O-N 3.08Å; A237-M242 CarbonylContact C-O 2.93Å; A237-M242 WeakPolarHBondContact CB-O 3.36Å; A237-M242 PolarHBondContact O-N 3.21Å; A237-P244 HydrophobicContact CB-CG 4.24Å; A237-V247 HydrophobicContact CB-CG2 3.91Å
238L98Very high97.6Very high144 Ų14449.5 Ų49.575%0.75429%0.285SS*.Hα-helixtrans-62.4-43.2176-175.964.5000112.5G234 A235 I236 H240 S241G234-L238 PolarHBondContact O-N 3.09Å; A235-L238 PolarHBondContact O-N 3.45Å; I236-L238 VanDerWaalsContact C-N 3.29Å; I236-L238 PolarHBondContact O-N 3.49Å; L238-H240 PolarHBondContact O-N 3.29Å; L238-S241 PolarHBondContact O-N 3.47Å
239R97.6Very high97.7Very high133 Ų13346.5 Ų46.550%0.50227%0.269SS..Hα-helixtrans-58.1-33.8177.8-73.7-167-71.1-103.29.5112.7A235 I236 D284A235-R239 PolarHBondContact O-N 2.99Å; I236-R239 VanDerWaalsContact CG1-NH2 3.3Å; I236-R239 WeakPolarHBondContact O-CB 3.5Å; I236-R239 PolarHBondContact O-N 2.67Å; I236-R239 VanDerWaalsContact O-N 3.13Å; R239-D284 IonicContact CZ-OD1 2.56Å; R239-D284 VanDerWaalsContact CZ-OD1 3.22Å; R239-D284 IonicContact NE-OD1 3.62Å; R239-D284 PolarHBondContact NE-OD1 3.23Å; R239-D284 IonicContact NH2-OD1 3.12Å; R239-D284 PolarHBondContact NH2-OD1 3.03Å
240H97.8Very high97.9Very high43 Ų4339.3 Ų39.320%0.19924%0.235CC..Hα-helixtrans-97.4-1.4-177.3-70.3-78.9000114I236 A237 L238 M242 F278 S279 D284I236-H240 PolarHBondContact O-CD2 3.03Å; I236-H240 VanDerWaalsContact O-CD2 3.3Å; I236-H240 PolarHBondContact O-N 3.38Å; A237-H240 PolarHBondContact O-N 3.24Å; L238-H240 PolarHBondContact O-N 3.29Å; H240-M242 HydrophobicContact CB-CB 4.27Å; H240-M242 HydrophobicContact CB-CG 3.98Å; H240-M242 WeakPolarHBondContact O-CG 3.35Å; H240-M242 PolarHBondContact O-N 3.37Å; H240-F278 HydrophobicContact CB-CD2 4.14Å; H240-F278 HydrophobicContact CB-CE2 4.29Å; H240-F278 AromaticContact ND1-CD2 3.92Å; H240-S279 PolarHBondContact CE1-O 3.2Å; H240-D284 IonicContact CD2-OD2 2.93Å; H240-D284 IonicContact CE1-OD2 2.84Å; H240-D284 IonicContact NE2-OD2 2.68Å; H240-D284 PolarHBondContact NE2-OD2 3.01Å
241S97.6Very high98Very high114 Ų11437.9 Ų37.980%0.79723%0.228SC*.THydrogen-bonded Turntrans54.236.8-170.2-53.70000113.2A237 L238A237-S241 PolarHBondContact O-N 2.99Å; A237-S241 VanDerWaalsContact O-N 3.08Å; L238-S241 PolarHBondContact O-N 3.47Å
242M98Very high98.2Very high43 Ų4332.7 Ų32.721%0.21219%0.194CC..  trans-117.9168.8-177.1-68.8-63.916400111A237 H240 Q246 V247 F278A237-M242 CarbonylContact C-O 2.93Å; A237-M242 WeakPolarHBondContact CB-O 3.36Å; A237-M242 PolarHBondContact O-N 3.21Å; H240-M242 HydrophobicContact CB-CB 4.27Å; H240-M242 HydrophobicContact CB-CG 3.98Å; H240-M242 WeakPolarHBondContact O-CG 3.35Å; H240-M242 PolarHBondContact O-N 3.37Å; M242-Q246 HydrophobicContact CB-CB 4.2Å; M242-Q246 PolarHBondContact SD-NE2 3.25Å; M242-V247 HydrophobicContact CB-CG2 4.24Å; M242-F278 HydrophobicContact CB-CZ 4.28Å; M242-F278 HydrophobicContact CE-CB 4.14Å; M242-F278 HydrophobicContact CE-CD1 3.65Å; M242-F278 HydrophobicContact CE-CE1 4.18Å; M242-F278 HydrophobicContact CE-CG 3.96Å; M242-F278 HydrophobicContact CG-CD1 4.05Å; M242-F278 HydrophobicContact CG-CD2 4.13Å; M242-F278 HydrophobicContact CG-CE1 3.81Å; M242-F278 HydrophobicContact CG-CE2 3.91Å; M242-F278 HydrophobicContact CG-CG 4.2Å; M242-F278 HydrophobicContact CG-CZ 3.74Å; M242-F278 HydrophobicContact SD-CD1 4Å; M242-F278 HydrophobicContact SD-CE1 3.89Å; M242-F278 HydrophobicContact SD-CZ 4.41Å
243T98.3Very high98.3Very high41 Ų4132.2 Ų32.225%0.25219%0.188SC..  trans-81.2155.8169.363.70000111.6A245 Q246 V247T243-A245 PolarHBondContact O-N 3.17Å; T243-Q246 VanDerWaalsContact N-OE1 3.09Å; T243-Q246 PolarHBondContact O-N 3.15Å; T243-Q246 VanDerWaalsContact O-N 3.1Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.4Å; T243-Q246 PolarHBondContact OG1-N 3.14Å; T243-Q246 PolarHBondContact OG1-OE1 3.11Å; T243-V247 PolarHBondContact O-N 3.09Å
244P98.4Very high98.3Very high39 Ų3934.5 Ų34.525%0.25320%0.198SC..Hα-helixtrans-51.3-38.8170.7-30.837.5000113.5L228 L233 A237 V247 I248L228-P244 HydrophobicContact CD2-CB 4.21Å; L233-P244 HydrophobicContact CD2-CB 3.65Å; L233-P244 HydrophobicContact CG-CB 3.91Å; A237-P244 HydrophobicContact CB-CG 4.24Å; P244-V247 PolarHBondContact O-N 3.18Å; P244-I248 WeakPolarHBondContact O-CG1 3.25Å; P244-I248 PolarHBondContact O-N 3.48Å; P244-I248 VanDerWaalsContact O-N 3.08Å
245A98.5Very high98.2Very high15 Ų1534.5 Ų34.512%0.12419%0.188CC..Hα-helixtrans-64-45.2177.400000112.4L212 L228 T243 V247 I248 L249L212-A245 HydrophobicContact CD1-CB 4.24Å; L212-A245 HydrophobicContact CD2-CB 3.91Å; L228-A245 HydrophobicContact CD2-CB 4Å; T243-A245 PolarHBondContact O-N 3.17Å; A245-V247 VanDerWaalsContact C-N 3.33Å; A245-V247 PolarHBondContact O-N 3.08Å; A245-I248 PolarHBondContact O-N 3.3Å; A245-L249 WeakPolarHBondContact O-CB 3.45Å; A245-L249 VanDerWaalsContact O-CG 3.27Å; A245-L249 WeakPolarHBondContact O-CG 3.16Å; A245-L249 PolarHBondContact O-N 2.87Å
246Q98.8Very high98.2Very high15 Ų1534 Ų347%0.0719%0.188CC..Hα-helixtrans-63.5-38.2176.4-76.2167.8-68.100112M242 T243 L249 R250 Q271 Q274 V275 F278M242-Q246 HydrophobicContact CB-CB 4.2Å; M242-Q246 PolarHBondContact SD-NE2 3.25Å; T243-Q246 VanDerWaalsContact N-OE1 3.09Å; T243-Q246 PolarHBondContact O-N 3.15Å; T243-Q246 VanDerWaalsContact O-N 3.1Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.4Å; T243-Q246 PolarHBondContact OG1-N 3.14Å; T243-Q246 PolarHBondContact OG1-OE1 3.11Å; Q246-L249 PolarHBondContact O-N 2.85Å; Q246-R250 WeakPolarHBondContact O-CB 3.32Å; Q246-R250 PolarHBondContact O-N 3.16Å; Q246-Q271 WeakPolarHBondContact CG-O 3.43Å; Q246-Q274 PolarHBondContact NE2-O 3.17Å; Q246-V275 HydrophobicContact CB-CG1 4.14Å; Q246-V275 HydrophobicContact CG-CG1 4.13Å; Q246-F278 HydrophobicContact CB-CE1 4.43Å; Q246-F278 HydrophobicContact CB-CZ 4.35Å
247V98.8Very high98.2Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-61.8-46.3175.5171.70000111.5L233 I236 A237 M242 T243 P244 A245 R250 W251 L280 M288L233-V247 HydrophobicContact CD1-CB 3.94Å; L233-V247 HydrophobicContact CD1-CG1 3.53Å; I236-V247 HydrophobicContact CB-CG1 4.23Å; I236-V247 HydrophobicContact CG2-CG1 3.58Å; I236-V247 HydrophobicContact CG2-CG2 4.23Å; A237-V247 HydrophobicContact CB-CG2 3.91Å; M242-V247 HydrophobicContact CB-CG2 4.24Å; T243-V247 PolarHBondContact O-N 3.09Å; P244-V247 PolarHBondContact O-N 3.18Å; A245-V247 VanDerWaalsContact C-N 3.33Å; A245-V247 PolarHBondContact O-N 3.08Å; V247-R250 PolarHBondContact O-N 2.97Å; V247-W251 WeakPolarHBondContact O-CB 3.36Å; V247-W251 PolarHBondContact O-N 2.89Å; V247-L280 HydrophobicContact CG1-CD1 4.3Å; V247-L280 HydrophobicContact CG1-CD2 4.15Å; V247-M288 HydrophobicContact CG1-CE 4.15Å; V247-M288 HydrophobicContact CG1-SD 3.86Å
248I98.8Very high98.2Very high0 Ų033.9 Ų33.90%019%0.187CC..Hα-helixtrans-62-47.9178-63162.4000111.1P188 P211 L212 L227 L228 L233 P244 A245 R250 W251 Q252 M288P188-I248 HydrophobicContact CG-CG1 4.07Å; P188-I248 HydrophobicContact CG-CG2 4.1Å; P211-I248 WeakPolarHBondContact O-CG2 3.42Å; L212-I248 HydrophobicContact CD2-CB 4.33Å; L212-I248 HydrophobicContact CD2-CD1 4.29Å; L227-I248 HydrophobicContact CD2-CD1 3.89Å; L227-I248 HydrophobicContact CG-CD1 3.94Å; L228-I248 HydrophobicContact CD2-CD1 3.75Å; L233-I248 HydrophobicContact CD1-CG1 3.94Å; L233-I248 HydrophobicContact CD2-CD1 3.6Å; L233-I248 HydrophobicContact CD2-CG1 3.75Å; P244-I248 WeakPolarHBondContact O-CG1 3.25Å; P244-I248 PolarHBondContact O-N 3.48Å; P244-I248 VanDerWaalsContact O-N 3.08Å; A245-I248 PolarHBondContact O-N 3.3Å; I248-R250 VanDerWaalsContact C-N 3.31Å; I248-R250 PolarHBondContact O-N 3.27Å; I248-W251 WeakPolarHBondContact O-CB 3.17Å; I248-W251 PolarHBondContact O-N 3.27Å; I248-Q252 WeakPolarHBondContact O-CG 3.22Å; I248-Q252 PolarHBondContact O-N 3.49Å; I248-Q252 VanDerWaalsContact O-N 3.14Å; I248-M288 HydrophobicContact CG1-CE 4.25Å
249L98.8Very high98.3Very high0 Ų027 Ų270%015%0.151CC..Hα-helixtrans-63.6-40179.7-68.1171.8000111.1P211 L212 A245 Q246 Q252 V253 C259 P261 N272 V275P211-L249 HydrophobicContact CB-CD2 4.04Å; P211-L249 HydrophobicContact CG-CD2 3.98Å; L212-L249 HydrophobicContact CD2-CD1 4.35Å; L212-L249 HydrophobicContact CD2-CD2 4.24Å; L212-L249 HydrophobicContact CD2-CG 3.98Å; A245-L249 WeakPolarHBondContact O-CB 3.45Å; A245-L249 VanDerWaalsContact O-CG 3.27Å; A245-L249 WeakPolarHBondContact O-CG 3.16Å; A245-L249 PolarHBondContact O-N 2.87Å; Q246-L249 PolarHBondContact O-N 2.85Å; L249-Q252 PolarHBondContact O-N 2.91Å; L249-V253 WeakPolarHBondContact O-CB 3.37Å; L249-V253 VanDerWaalsContact O-CG2 3.24Å; L249-V253 WeakPolarHBondContact O-CG2 3.25Å; L249-V253 PolarHBondContact O-N 3.12Å; L249-C259 HydrophobicContact CD2-CB 3.72Å; L249-P261 HydrophobicContact CD1-CB 4.39Å; L249-P261 HydrophobicContact CD1-CG 3.99Å; L249-P261 HydrophobicContact CD2-CB 4.07Å; L249-P261 HydrophobicContact CD2-CG 3.77Å; L249-N272 HydrophobicContact CD1-CB 3.75Å; L249-N272 WeakPolarHBondContact CD1-O 3.49Å; L249-V275 HydrophobicContact CB-CG1 3.88Å
250R98.7Very high98.3Very high3 Ų321.1 Ų21.11%0.01113%0.129CC..Hα-helixtrans-62-44.1175176.265.8-153.8-167.8-14.3112.2M1 Q246 V247 I248 Q252 V253 Q254 V275 F278 S279 L280M1-R250 PolarHBondContact SD-NH2 3.03Å; Q246-R250 WeakPolarHBondContact O-CB 3.32Å; Q246-R250 PolarHBondContact O-N 3.16Å; V247-R250 PolarHBondContact O-N 2.97Å; I248-R250 VanDerWaalsContact C-N 3.31Å; I248-R250 PolarHBondContact O-N 3.27Å; R250-Q252 VanDerWaalsContact C-N 3.3Å; R250-Q252 PolarHBondContact O-N 3.34Å; R250-V253 PolarHBondContact O-N 3.32Å; R250-Q254 VanDerWaalsContact O-CB 3.26Å; R250-Q254 WeakPolarHBondContact O-CB 3.46Å; R250-Q254 PolarHBondContact O-N 2.99Å; R250-V275 HydrophobicContact CB-CB 4.39Å; R250-V275 WeakPolarHBondContact CD-O 3.48Å; R250-V275 PolarHBondContact NH1-O 3.44Å; R250-F278 HydrophobicContact CB-CE1 3.99Å; R250-F278 HydrophobicContact CB-CE2 3.82Å; R250-F278 HydrophobicContact CB-CZ 3.34Å; R250-F278 WeakPolarHBondContact CD-O 3.44Å; R250-F278 HydrophobicContact CG-CD2 4.16Å; R250-F278 HydrophobicContact CG-CE1 4.15Å; R250-F278 HydrophobicContact CG-CE2 3.57Å; R250-F278 HydrophobicContact CG-CZ 3.56Å; R250-F278 PolarHBondContact NE-O 3.4Å; R250-F278 VanDerWaalsContact NE-O 3.14Å; R250-F278 PolarHBondContact NH1-O 3.2Å; R250-F278 PolarHBondContact NH2-O 3.37Å; R250-F278 VanDerWaalsContact NH2-O 3.12Å; R250-S279 VanDerWaalsContact NH2-CB 3.34Å; R250-L280 HydrophobicContact CG-CD1 4.33Å; R250-L280 HydrophobicContact CG-CG 3.87Å
251W98.6Very high98.3Very high0 Ų019.2 Ų19.20%012%0.12CC..Hα-helixtrans-57.3-44.1177.3169.877.7000111.6P188 V247 I248 R255 L280 M285 M288 E289P188-W251 HydrophobicContact CG-CE3 4.27Å; P188-W251 HydrophobicContact CG-CZ3 4.27Å; V247-W251 WeakPolarHBondContact O-CB 3.36Å; V247-W251 PolarHBondContact O-N 2.89Å; I248-W251 WeakPolarHBondContact O-CB 3.17Å; I248-W251 PolarHBondContact O-N 3.27Å; W251-R255 WeakPolarHBondContact O-CG 3.18Å; W251-R255 PolarHBondContact O-N 2.98Å; W251-L280 HydrophobicContact CB-CD1 3.68Å; W251-M285 HydrophobicContact CG-CE 4.42Å; W251-M288 HydrophobicContact CB-CE 3.8Å; W251-M288 HydrophobicContact CB-CG 4.37Å; W251-M288 HydrophobicContact CD2-CB 4.32Å; W251-M288 HydrophobicContact CD2-CE 4.2Å; W251-M288 HydrophobicContact CE3-CE 4.48Å; W251-M288 HydrophobicContact CG-CB 3.88Å; W251-M288 HydrophobicContact CG-CE 3.9Å; W251-M288 HydrophobicContact CG-CG 4.14Å; W251-E289 HydrophobicContact CZ2-CG 4.37Å
252Q98.6Very high98.4Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-65-50.4175.9-65.5-71.323.700112.4C186 I248 L249 R250 Q254 R255 G256 V257 C259C186-Q252 VanDerWaalsContact C-NE2 3.25Å; C186-Q252 PolarHBondContact O-NE2 2.69Å; C186-Q252 PolarHBondContact SG-NE2 3.3Å; I248-Q252 WeakPolarHBondContact O-CG 3.22Å; I248-Q252 PolarHBondContact O-N 3.49Å; I248-Q252 VanDerWaalsContact O-N 3.14Å; L249-Q252 PolarHBondContact O-N 2.91Å; R250-Q252 VanDerWaalsContact C-N 3.3Å; R250-Q252 PolarHBondContact O-N 3.34Å; Q252-Q254 VanDerWaalsContact C-N 3.26Å; Q252-Q254 PolarHBondContact O-N 3.42Å; Q252-R255 CarbonylContact O-C 3.54Å; Q252-R255 WeakPolarHBondContact O-CA 3.49Å; Q252-R255 PolarHBondContact O-N 3.45Å; Q252-G256 PolarHBondContact O-N 3.39Å; Q252-V257 CarbonylContact C-O 3.53Å; Q252-V257 HydrophobicContact CB-CB 4.19Å; Q252-V257 PolarHBondContact O-N 2.87Å; Q252-C259 WeakPolarHBondContact CB-SG 3.41Å; Q252-C259 WeakPolarHBondContact CG-SG 3.43Å
253V98.3Very high98.3Very high6 Ų615.2 Ų15.24%0.0369%0.088CC..Hα-helixtrans-56.4-42.1178.9167.50000111.1L15 V16 L249 R250 R255 G256 V275 F276L15-V253 HydrophobicContact CB-CG1 4.46Å; L15-V253 HydrophobicContact CB-CG2 4.2Å; L15-V253 HydrophobicContact CD1-CG1 3.96Å; V16-V253 HydrophobicContact CG2-CG2 3.93Å; L249-V253 WeakPolarHBondContact O-CB 3.37Å; L249-V253 VanDerWaalsContact O-CG2 3.24Å; L249-V253 WeakPolarHBondContact O-CG2 3.25Å; L249-V253 PolarHBondContact O-N 3.12Å; R250-V253 PolarHBondContact O-N 3.32Å; V253-R255 VanDerWaalsContact C-N 3.28Å; V253-R255 PolarHBondContact O-N 2.91Å; V253-G256 PolarHBondContact O-N 3.09Å; V253-V275 HydrophobicContact CG2-CG2 4.15Å; V253-F276 HydrophobicContact CG1-CD1 4.05Å; V253-F276 HydrophobicContact CG1-CE1 3.62Å; V253-F276 HydrophobicContact CG2-CE1 4.46Å
254Q98.1Very high98.3Very high49 Ų4915.3 Ų15.323%0.2299%0.089CC..Hα-helixtrans-70-23.7-179.8-166.9161.7-57.600112.8M1 R250 Q252 G256 L280 M285M1-Q254 HydrophobicContact CE-CG 4.27Å; R250-Q254 VanDerWaalsContact O-CB 3.26Å; R250-Q254 WeakPolarHBondContact O-CB 3.46Å; R250-Q254 PolarHBondContact O-N 2.99Å; Q252-Q254 VanDerWaalsContact C-N 3.26Å; Q252-Q254 PolarHBondContact O-N 3.42Å; Q254-G256 VanDerWaalsContact C-N 3.3Å; Q254-L280 PolarHBondContact NE2-O 3.31Å; Q254-M285 HydrophobicContact CB-CE 4.35Å; Q254-M285 HydrophobicContact CB-SD 4.31Å; Q254-M285 HydrophobicContact CG-CE 4.42Å; Q254-M285 HydrophobicContact CG-SD 4.26Å; Q254-M285 PolarHBondContact NE2-SD 3.42Å
255R96.9Very high98.3Very high32 Ų3215.8 Ų15.812%0.1219%0.091CC..THydrogen-bonded Turntrans-88.76.9169.9-66.5165.986.4-128.3-0.2112.4S191 R200 W251 Q252 V253 V257 M285 E289S191-R255 PolarHBondContact O-NH1 3.44Å; R200-R255 PolarHBondContact NH2-O 3.39Å; W251-R255 WeakPolarHBondContact O-CG 3.18Å; W251-R255 PolarHBondContact O-N 2.98Å; Q252-R255 CarbonylContact O-C 3.54Å; Q252-R255 WeakPolarHBondContact O-CA 3.49Å; Q252-R255 PolarHBondContact O-N 3.45Å; V253-R255 VanDerWaalsContact C-N 3.28Å; V253-R255 PolarHBondContact O-N 2.91Å; R255-V257 VanDerWaalsContact C-N 3.26Å; R255-V257 HydrophobicContact CB-CG2 4.31Å; R255-V257 PolarHBondContact O-N 3.09Å; R255-M285 HydrophobicContact CG-CE 3.47Å; R255-M285 VanDerWaalsContact CG-CE 3.47Å; R255-E289 IonicContact CZ-OE1 3.94Å; R255-E289 IonicContact NE-OE1 3.49Å; R255-E289 PolarHBondContact NE-OE1 3.15Å; R255-E289 IonicContact NH2-OE1 3.31Å
256G97Very high98.3Very high34 Ų3418.5 Ų18.535%0.35111%0.107SC..THydrogen-bonded Turntrans69.821.8-179.100000114Q252 V253 Q254Q252-G256 PolarHBondContact O-N 3.39Å; V253-G256 PolarHBondContact O-N 3.09Å; Q254-G256 VanDerWaalsContact C-N 3.3Å
257V98.6Very high98.3Very high1 Ų120.9 Ų20.91%0.00613%0.125CC..  trans-93.9125.2176.4179.90000108.9L196 V206 A208 Q252 R255L196-V257 HydrophobicContact CD1-CG2 3.77Å; L196-V257 HydrophobicContact CD2-CG2 3.82Å; L196-V257 HydrophobicContact CG-CG2 4.48Å; V206-V257 HydrophobicContact CB-CG1 4.42Å; V206-V257 HydrophobicContact CG1-CG1 4.07Å; A208-V257 HydrophobicContact CB-CG1 3.78Å; Q252-V257 CarbonylContact C-O 3.53Å; Q252-V257 HydrophobicContact CB-CB 4.19Å; Q252-V257 PolarHBondContact O-N 2.87Å; R255-V257 VanDerWaalsContact C-N 3.26Å; R255-V257 HydrophobicContact CB-CG2 4.31Å; R255-V257 PolarHBondContact O-N 3.09Å
258V98.9Very high98.3Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-70.1139.7175.2177.60000108.9V5 I13 P14 L15 V206 T207 A208V5-V258 HydrophobicContact CG2-CG2 3.8Å; I13-V258 HydrophobicContact CD1-CG1 4.21Å; I13-V258 HydrophobicContact CD1-CG2 4.32Å; I13-V258 HydrophobicContact CG1-CG1 4.43Å; I13-V258 HydrophobicContact CG1-CG2 4.44Å; I13-V258 HydrophobicContact CG2-CG2 3.93Å; P14-V258 WeakPolarHBondContact O-CG1 3.49Å; L15-V258 HydrophobicContact CD2-CG2 4.1Å; L15-V258 CarbonylContact O-C 3.44Å; L15-V258 WeakPolarHBondContact O-CA 3.46Å; V206-V258 PolarHBondContact O-N 3.48Å; T207-V258 CarbonylContact C-O 3.56Å; T207-V258 WeakPolarHBondContact CA-O 3.28Å; T207-V258 HydrophobicContact CG2-CB 4.2Å; T207-V258 HydrophobicContact CG2-CG1 3.98Å; A208-V258 PolarHBondContact N-O 2.98Å
259C98.3Very high98.3Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-120.7140.8178.9-69.40000111.9L15 V16 G17 P211 L249 Q252 P261L15-C259 PolarHBondContact O-N 3.05Å; V16-C259 CarbonylContact C-O 3.52Å; V16-C259 WeakPolarHBondContact CA-O 3.48Å; G17-C259 PolarHBondContact N-O 3.49Å; P211-C259 HydrophobicContact CB-CB 4.45Å; P211-C259 HydrophobicContact CG-CB 4.4Å; L249-C259 HydrophobicContact CD2-CB 3.72Å; Q252-C259 WeakPolarHBondContact CB-SG 3.41Å; Q252-C259 WeakPolarHBondContact CG-SG 3.43Å; C259-P261 VanDerWaalsContact C-CD 3.42Å; C259-P261 WeakPolarHBondContact O-CD 3.39Å
260I98.8Very high98.2Very high9 Ų932.8 Ų32.85%0.04618%0.175CC..  trans-125.760.1177.750.9165000112G17 D44 Q183 T207 A208 K262G17-I260 WeakPolarHBondContact O-CA 3.28Å; D44-I260 HydrophobicContact CB-CB 4.15Å; D44-I260 HydrophobicContact CB-CD1 3.83Å; D44-I260 HydrophobicContact CB-CG2 3.87Å; D44-I260 WeakPolarHBondContact OD1-CD1 3.42Å; Q183-I260 HydrophobicContact CG-CD1 4.3Å; T207-I260 HydrophobicContact CG2-CD1 4.1Å; T207-I260 HydrophobicContact CG2-CG1 3.96Å; T207-I260 HydrophobicContact CG2-CG2 4.01Å; A208-I260 WeakPolarHBondContact O-CG1 3.45Å; A208-I260 PolarHBondContact O-N 3.09Å; I260-K262 PolarHBondContact O-N 3.2Å
261P98.4Very high98.2Very high2 Ų236.1 Ų36.11%0.01319%0.19CC..  trans-60.2128.9178.427.6-35.8000110.7G17 G19 P211 L212 L249 C259 N272G17-P261 WeakPolarHBondContact O-CD 3.46Å; G19-P261 PolarHBondContact N-O 3.38Å; P211-P261 HydrophobicContact CG-CB 4.04Å; L212-P261 HydrophobicContact CD1-CB 3.95Å; L212-P261 HydrophobicContact CG-CB 4.26Å; L249-P261 HydrophobicContact CD1-CB 4.39Å; L249-P261 HydrophobicContact CD1-CG 3.99Å; L249-P261 HydrophobicContact CD2-CB 4.07Å; L249-P261 HydrophobicContact CD2-CG 3.77Å; C259-P261 VanDerWaalsContact C-CD 3.42Å; C259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-N272 HydrophobicContact CG-CB 4.05Å
262K97.9Very high98.2Very high65 Ų6536.4 Ų36.428%0.28319%0.192SC..BIsolated β-bridgetrans-84.8135.2173.1-179.7-101.2-175.4169.20110.6G19 W21 K22 S23 I260G19-K262 WeakPolarHBondContact O-CA 3.43Å; G19-K262 WeakPolarHBondContact O-CB 3.36Å; G19-K262 WeakPolarHBondContact O-CG 3.49Å; W21-K262 WeakPolarHBondContact O-CD 3.26Å; W21-K262 WeakPolarHBondContact O-CE 3.45Å; W21-K262 VanDerWaalsContact O-CG 3.31Å; W21-K262 WeakPolarHBondContact O-CG 3.46Å; K22-K262 PolarHBondContact O-NZ 3.25Å; S23-K262 WeakPolarHBondContact OG-CE 3.49Å; I260-K262 PolarHBondContact O-N 3.2Å
263S97.6Very high98.2Very high8 Ų837.8 Ų37.86%0.05620%0.199CC..  trans-154.4148.5166.4-178.50000110.2T265 R268S263-T265 PolarHBondContact OG-N 3.11Å; S263-T265 PolarHBondContact OG-O 2.84Å; S263-R268 WeakPolarHBondContact OG-CB 3.48Å
264V97.7Very high98.2Very high43 Ų4341.5 Ų41.526%0.26122%0.216SC..  trans-110.1-5.1165-61.70000111.7S23 Q27 A31 P266S23-V264 WeakPolarHBondContact OG-CG1 3.32Å; Q27-V264 HydrophobicContact CB-CB 4.43Å; Q27-V264 HydrophobicContact CB-CG1 4.07Å; A31-V264 HydrophobicContact CB-CB 4.39Å; A31-V264 HydrophobicContact CB-CG1 4.14Å; V264-P266 WeakPolarHBondContact O-CD 3.27Å
265T98.2Very high98.2Very high49 Ų4939.2 Ų39.230%0.30121%0.205SC..  trans-84.7117.1178.8-520000109.4S263 S267 R268 I269S263-T265 PolarHBondContact OG-N 3.11Å; S263-T265 PolarHBondContact OG-O 2.84Å; T265-S267 PolarHBondContact O-N 3Å; T265-R268 HydrophobicContact CG2-CG 4.09Å; T265-R268 PolarHBondContact O-N 3.33Å; T265-R268 VanDerWaalsContact O-N 3.09Å; T265-I269 WeakPolarHBondContact O-CG1 3.41Å; T265-I269 PolarHBondContact O-N 2.97Å
266P98.4Very high98.2Very high72 Ų7240.6 Ų40.647%0.46821%0.213SC..Hα-helixtrans-55.3-44.8-173.6-30.937.7000114.7T34 V264 R268 I269 Q270T34-P266 HydrophobicContact CG2-CB 3.91Å; V264-P266 WeakPolarHBondContact O-CD 3.27Å; P266-R268 VanDerWaalsContact C-N 3.33Å; P266-R268 PolarHBondContact O-N 3.44Å; P266-I269 WeakPolarHBondContact O-CB 3.26Å; P266-I269 PolarHBondContact O-N 3.31Å; P266-Q270 PolarHBondContact O-N 3.49Å
267S98.5Very high98.2Very high65 Ų6544.6 Ų44.646%0.45523%0.226SC..Hα-helixtrans-61.4-39.7178.654.20000112.6T265 Q270 Q271T265-S267 PolarHBondContact O-N 3Å; S267-Q270 PolarHBondContact O-N 2.93Å; S267-Q271 WeakPolarHBondContact O-CB 3.38Å; S267-Q271 VanDerWaalsContact O-CG 3.24Å; S267-Q271 WeakPolarHBondContact O-CG 3.46Å; S267-Q271 PolarHBondContact O-N 3.03Å
268R98.4Very high98.1Very high150 Ų15045.8 Ų45.857%0.56623%0.231SC*.Hα-helixtrans-70.7-37.1176.4-61.8-177.8-164.41764.3112S263 T265 P266 Q270 Q271 N272S263-R268 WeakPolarHBondContact OG-CB 3.48Å; T265-R268 HydrophobicContact CG2-CG 4.09Å; T265-R268 PolarHBondContact O-N 3.33Å; T265-R268 VanDerWaalsContact O-N 3.09Å; P266-R268 VanDerWaalsContact C-N 3.33Å; P266-R268 PolarHBondContact O-N 3.44Å; R268-Q270 VanDerWaalsContact C-N 3.32Å; R268-Q271 PolarHBondContact O-N 3.42Å; R268-N272 VanDerWaalsContact O-CB 3.25Å; R268-N272 WeakPolarHBondContact O-CB 3.44Å; R268-N272 PolarHBondContact O-N 2.89Å; R268-N272 PolarHBondContact O-ND2 3.2Å; R268-N272 PolarHBondContact O-OD1 3.13Å
269I98.7Very high98.1Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-58.9-48.8173.9-67.2168.8000109.2L18 A31 T34 A35 Y40 T265 P266 N272L18-I269 HydrophobicContact CD1-CG1 4.34Å; A31-I269 HydrophobicContact CB-CD1 4.03Å; T34-I269 HydrophobicContact CG2-CB 4.39Å; T34-I269 HydrophobicContact CG2-CD1 4.2Å; T34-I269 HydrophobicContact CG2-CG2 4.25Å; A35-I269 HydrophobicContact CB-CG2 3.76Å; Y40-I269 HydrophobicContact CD2-CG2 4.34Å; Y40-I269 HydrophobicContact CE2-CG2 3.79Å; Y40-I269 WeakPolarHBondContact CE2-O 3.39Å; Y40-I269 PolarHBondContact OH-O 3.41Å; Y40-I269 VanDerWaalsContact OH-O 3.11Å; T265-I269 WeakPolarHBondContact O-CG1 3.41Å; T265-I269 PolarHBondContact O-N 2.97Å; P266-I269 WeakPolarHBondContact O-CB 3.26Å; P266-I269 PolarHBondContact O-N 3.31Å; I269-N272 PolarHBondContact O-N 3.27Å
270Q98.6Very high98.1Very high100 Ų10049.1 Ų49.147%0.46725%0.254SS..Hα-helixtrans-61.6-45.9177.5-172.6177.319.300112.5P266 S267 R268 N272 I273 Q274P266-Q270 PolarHBondContact O-N 3.49Å; S267-Q270 PolarHBondContact O-N 2.93Å; R268-Q270 VanDerWaalsContact C-N 3.32Å; Q270-N272 PolarHBondContact O-N 2.84Å; Q270-I273 VanDerWaalsContact O-CG2 3.3Å; Q270-I273 WeakPolarHBondContact O-CG2 3.46Å; Q270-Q274 WeakPolarHBondContact O-CG 3.42Å
271Q98.1Very high98.1Very high73 Ų7351.2 Ų51.234%0.34127%0.27SS..Hα-helixtrans-63.7-39.1179.3-75.5171.9-13.700112.7Q246 S267 R268 I273 Q274Q246-Q271 WeakPolarHBondContact CG-O 3.43Å; S267-Q271 WeakPolarHBondContact O-CB 3.38Å; S267-Q271 VanDerWaalsContact O-CG 3.24Å; S267-Q271 WeakPolarHBondContact O-CG 3.46Å; S267-Q271 PolarHBondContact O-N 3.03Å; R268-Q271 PolarHBondContact O-N 3.42Å; Q271-I273 PolarHBondContact O-N 3.41Å; Q271-Q274 PolarHBondContact O-N 3.44Å; Q271-Q274 VanDerWaalsContact O-N 3.08Å
272N98.6Very high98.1Very high7 Ų757.3 Ų57.34%0.03730%0.302CS..Hα-helixtrans-66.7-20.9-174.2-75.2-12.1000113.9Y40 L249 P261 R268 I269 Q270Y40-N272 WeakPolarHBondContact OH-CB 3.38Å; L249-N272 HydrophobicContact CD1-CB 3.75Å; L249-N272 WeakPolarHBondContact CD1-O 3.49Å; P261-N272 HydrophobicContact CG-CB 4.05Å; R268-N272 VanDerWaalsContact O-CB 3.25Å; R268-N272 WeakPolarHBondContact O-CB 3.44Å; R268-N272 PolarHBondContact O-N 2.89Å; R268-N272 PolarHBondContact O-ND2 3.2Å; R268-N272 PolarHBondContact O-OD1 3.13Å; I269-N272 PolarHBondContact O-N 3.27Å; Q270-N272 PolarHBondContact O-N 2.84Å
273I98.3Very high98.1Very high29 Ų2960.1 Ų60.115%0.14932%0.316CS..Hα-helixtrans-92.7-13.5174.5-166.4160.8000113.2V16 Y40 Q270 Q271 V275 F276V16-I273 HydrophobicContact CG1-CB 4.48Å; Y40-I273 HydrophobicContact CD1-CD1 4.22Å; Y40-I273 HydrophobicContact CD2-CB 4.13Å; Y40-I273 HydrophobicContact CD2-CD1 3.53Å; Y40-I273 HydrophobicContact CD2-CG1 4.43Å; Y40-I273 HydrophobicContact CD2-CG2 4.19Å; Y40-I273 HydrophobicContact CE1-CD1 4.45Å; Y40-I273 HydrophobicContact CE2-CB 3.49Å; Y40-I273 VanDerWaalsContact CE2-CB 3.49Å; Y40-I273 HydrophobicContact CE2-CD1 3.82Å; Y40-I273 HydrophobicContact CE2-CG1 4.23Å; Y40-I273 HydrophobicContact CE2-CG2 3.63Å; Y40-I273 HydrophobicContact CG-CD1 3.76Å; Y40-I273 PolarHBondContact OH-N 3.33Å; Q270-I273 VanDerWaalsContact O-CG2 3.3Å; Q270-I273 WeakPolarHBondContact O-CG2 3.46Å; Q271-I273 PolarHBondContact O-N 3.41Å; I273-V275 PolarHBondContact O-N 2.81Å; I273-F276 HydrophobicContact CG1-CE2 4.37Å; I273-F276 WeakPolarHBondContact O-CD2 3.47Å
274Q98.1Very high98.1Very high84 Ų8460 Ų6039%0.39332%0.315SS..  trans-82.766.5177.4-67.7172.6-24.600110.6Q246 Q270 Q271Q246-Q274 PolarHBondContact NE2-O 3.17Å; Q270-Q274 WeakPolarHBondContact O-CG 3.42Å; Q271-Q274 PolarHBondContact O-N 3.44Å; Q271-Q274 VanDerWaalsContact O-N 3.08Å
275V98.4Very high98.1Very high0 Ų059 Ų590%031%0.307CS..  trans-131.311.6-177.3-60.70000113.3V16 Q246 L249 R250 V253 I273 F278V16-V275 HydrophobicContact CG2-CG2 3.81Å; Q246-V275 HydrophobicContact CB-CG1 4.14Å; Q246-V275 HydrophobicContact CG-CG1 4.13Å; L249-V275 HydrophobicContact CB-CG1 3.88Å; R250-V275 HydrophobicContact CB-CB 4.39Å; R250-V275 WeakPolarHBondContact CD-O 3.48Å; R250-V275 PolarHBondContact NH1-O 3.44Å; V253-V275 HydrophobicContact CG2-CG2 4.15Å; I273-V275 PolarHBondContact O-N 2.81Å; V275-F278 HydrophobicContact CB-CE1 4.43Å
276F97.8Very high98.1Very high62 Ų6262.8 Ų62.827%0.27232%0.32SS..SBendtrans-107.3-10.1-176.3-61.6-72.7000113.4L15 V16 V253 I273L15-F276 HydrophobicContact CB-CE1 4.22Å; L15-F276 HydrophobicContact CB-CZ 4.2Å; L15-F276 HydrophobicContact CD1-CE1 4.44Å; V16-F276 HydrophobicContact CB-CZ 4.44Å; V16-F276 HydrophobicContact CG2-CE2 4.12Å; V16-F276 HydrophobicContact CG2-CZ 3.84Å; V253-F276 HydrophobicContact CG1-CD1 4.05Å; V253-F276 HydrophobicContact CG1-CE1 3.62Å; V253-F276 HydrophobicContact CG2-CE1 4.46Å; I273-F276 HydrophobicContact CG1-CE2 4.37Å; I273-F276 WeakPolarHBondContact O-CD2 3.47Å
277D95.9Very high98.1Very high118 Ų11861.6 Ų61.663%0.63131%0.308SS*.SBendtrans-97.2-2.6-174.859.1-24.7000114.3
278F97.4Very high98.1Very high25 Ų2558.5 Ų58.511%0.1129%0.286CS..  trans-136171.6170.876.5-76000111.1H240 M242 Q246 R250 V275 L280H240-F278 HydrophobicContact CB-CD2 4.14Å; H240-F278 HydrophobicContact CB-CE2 4.29Å; H240-F278 AromaticContact ND1-CD2 3.92Å; M242-F278 HydrophobicContact CB-CZ 4.28Å; M242-F278 HydrophobicContact CE-CB 4.14Å; M242-F278 HydrophobicContact CE-CD1 3.65Å; M242-F278 HydrophobicContact CE-CE1 4.18Å; M242-F278 HydrophobicContact CE-CG 3.96Å; M242-F278 HydrophobicContact CG-CD1 4.05Å; M242-F278 HydrophobicContact CG-CD2 4.13Å; M242-F278 HydrophobicContact CG-CE1 3.81Å; M242-F278 HydrophobicContact CG-CE2 3.91Å; M242-F278 HydrophobicContact CG-CG 4.2Å; M242-F278 HydrophobicContact CG-CZ 3.74Å; M242-F278 HydrophobicContact SD-CD1 4Å; M242-F278 HydrophobicContact SD-CE1 3.89Å; M242-F278 HydrophobicContact SD-CZ 4.41Å; Q246-F278 HydrophobicContact CB-CE1 4.43Å; Q246-F278 HydrophobicContact CB-CZ 4.35Å; R250-F278 HydrophobicContact CB-CE1 3.99Å; R250-F278 HydrophobicContact CB-CE2 3.82Å; R250-F278 HydrophobicContact CB-CZ 3.34Å; R250-F278 WeakPolarHBondContact CD-O 3.44Å; R250-F278 HydrophobicContact CG-CD2 4.16Å; R250-F278 HydrophobicContact CG-CE1 4.15Å; R250-F278 HydrophobicContact CG-CE2 3.57Å; R250-F278 HydrophobicContact CG-CZ 3.56Å; R250-F278 PolarHBondContact NE-O 3.4Å; R250-F278 VanDerWaalsContact NE-O 3.14Å; R250-F278 PolarHBondContact NH1-O 3.2Å; R250-F278 PolarHBondContact NH2-O 3.37Å; R250-F278 VanDerWaalsContact NH2-O 3.12Å; V275-F278 HydrophobicContact CB-CE1 4.43Å; F278-L280 HydrophobicContact CE2-CD2 3.99Å
279S97.9Very high97.9Very high66 Ų6655.5 Ų55.546%0.46228%0.279SS..  trans-139.3142175.256.10000111.2H240 R250H240-S279 PolarHBondContact CE1-O 3.2Å; R250-S279 VanDerWaalsContact NH2-CB 3.34Å
280L98.4Very high97.8Very high4 Ų459.7 Ų59.72%0.02131%0.308CS..  trans-75.5138.5170.3-61.9-178.9000109I236 V247 R250 W251 Q254 F278 D284 M285 M288I236-L280 HydrophobicContact CG2-CD2 3.95Å; V247-L280 HydrophobicContact CG1-CD1 4.3Å; V247-L280 HydrophobicContact CG1-CD2 4.15Å; R250-L280 HydrophobicContact CG-CD1 4.33Å; R250-L280 HydrophobicContact CG-CG 3.87Å; W251-L280 HydrophobicContact CB-CD1 3.68Å; Q254-L280 PolarHBondContact NE2-O 3.31Å; F278-L280 HydrophobicContact CE2-CD2 3.99Å; L280-D284 HydrophobicContact CB-CB 3.96Å; L280-D284 HydrophobicContact CD2-CB 4.34Å; L280-M285 HydrophobicContact CB-CG 4.01Å; L280-M285 HydrophobicContact CB-SD 3.71Å; L280-M285 HydrophobicContact CD1-SD 3.83Å; L280-M285 HydrophobicContact CG-SD 4.35Å; L280-M288 HydrophobicContact CD1-CG 4.29Å
281S98.3Very high97.7Very high54 Ų5456.2 Ų56.238%0.37829%0.291SS..  trans-67.9164.3173.467.40000111E283 D284 M285S281-E283 PolarHBondContact O-N 3.06Å; S281-D284 WeakPolarHBondContact CB-OD2 3.18Å; S281-D284 PolarHBondContact N-OD2 3.43Å; S281-D284 VanDerWaalsContact N-OD2 3.16Å; S281-D284 PolarHBondContact O-N 3.29Å; S281-D284 VanDerWaalsContact O-N 3.12Å; S281-D284 PolarHBondContact OG-N 2.69Å; S281-D284 VanDerWaalsContact OG-N 3.11Å; S281-D284 PolarHBondContact OG-OD2 3.37Å; S281-M285 VanDerWaalsContact O-CG 3.32Å; S281-M285 WeakPolarHBondContact O-CG 3.49Å; S281-M285 PolarHBondContact O-N 2.6Å
282D98.3Very high97.5Very high130 Ų13054.5 Ų54.570%0.69529%0.287SS*.Hα-helixtrans-57.9-33.6175-68.1-18.4000112.1K286D282-K286 VanDerWaalsContact O-CG 3.3Å; D282-K286 WeakPolarHBondContact O-CG 3.43Å; D282-K286 PolarHBondContact O-N 3.46Å
283E98.3Very high97.3Very high124 Ų12458.6 Ų58.658%0.57930%0.302SS*.Hα-helixtrans-69.2-44.6175.7-17257.6-154.400111.6S281 M285 K286 Q287S281-E283 PolarHBondContact O-N 3.06Å; E283-M285 VanDerWaalsContact C-N 3.31Å; E283-M285 PolarHBondContact O-N 2.73Å; E283-K286 PolarHBondContact O-N 2.58Å; E283-Q287 WeakPolarHBondContact O-CB 3.24Å; E283-Q287 PolarHBondContact O-N 3.06Å
284D98.4Very high97.1Very high5 Ų563.2 Ų63.23%0.02733%0.327CS..Hα-helixtrans-62.7-39.6174.7-62.4-52.6000111.3I236 R239 H240 L280 S281 Q287 M288I236-D284 HydrophobicContact CG2-CB 4.18Å; R239-D284 IonicContact CZ-OD1 2.56Å; R239-D284 VanDerWaalsContact CZ-OD1 3.22Å; R239-D284 IonicContact NE-OD1 3.62Å; R239-D284 PolarHBondContact NE-OD1 3.23Å; R239-D284 IonicContact NH2-OD1 3.12Å; R239-D284 PolarHBondContact NH2-OD1 3.03Å; H240-D284 IonicContact CD2-OD2 2.93Å; H240-D284 IonicContact CE1-OD2 2.84Å; H240-D284 IonicContact NE2-OD2 2.68Å; H240-D284 PolarHBondContact NE2-OD2 3.01Å; L280-D284 HydrophobicContact CB-CB 3.96Å; L280-D284 HydrophobicContact CD2-CB 4.34Å; S281-D284 WeakPolarHBondContact CB-OD2 3.18Å; S281-D284 PolarHBondContact N-OD2 3.43Å; S281-D284 VanDerWaalsContact N-OD2 3.16Å; S281-D284 PolarHBondContact O-N 3.29Å; S281-D284 VanDerWaalsContact O-N 3.12Å; S281-D284 PolarHBondContact OG-N 2.69Å; S281-D284 VanDerWaalsContact OG-N 3.11Å; S281-D284 PolarHBondContact OG-OD2 3.37Å; D284-Q287 PolarHBondContact O-N 3.4Å; D284-M288 WeakPolarHBondContact O-CB 3.46Å; D284-M288 VanDerWaalsContact O-CG 3.24Å; D284-M288 WeakPolarHBondContact O-CG 3.38Å; D284-M288 PolarHBondContact O-N 2.94Å
285M98.3Very high96.9Very high21 Ų2162.4 Ų62.410%0.10332%0.324CS..Hα-helixtrans-61.5-45.4176.7-71.5-60.6-63.800111.4W251 Q254 R255 L280 S281 E283 M288 E289W251-M285 HydrophobicContact CG-CE 4.42Å; Q254-M285 HydrophobicContact CB-CE 4.35Å; Q254-M285 HydrophobicContact CB-SD 4.31Å; Q254-M285 HydrophobicContact CG-CE 4.42Å; Q254-M285 HydrophobicContact CG-SD 4.26Å; Q254-M285 PolarHBondContact NE2-SD 3.42Å; R255-M285 HydrophobicContact CG-CE 3.47Å; R255-M285 VanDerWaalsContact CG-CE 3.47Å; L280-M285 HydrophobicContact CB-CG 4.01Å; L280-M285 HydrophobicContact CB-SD 3.71Å; L280-M285 HydrophobicContact CD1-SD 3.83Å; L280-M285 HydrophobicContact CG-SD 4.35Å; S281-M285 VanDerWaalsContact O-CG 3.32Å; S281-M285 WeakPolarHBondContact O-CG 3.49Å; S281-M285 PolarHBondContact O-N 2.6Å; E283-M285 VanDerWaalsContact C-N 3.31Å; E283-M285 PolarHBondContact O-N 2.73Å; M285-M288 PolarHBondContact O-N 2.99Å; M285-E289 WeakPolarHBondContact O-CG 3.31Å; M285-E289 PolarHBondContact O-N 2.81Å; M285-E289 VanDerWaalsContact O-N 3.08Å
286K97.4Very high96.7Very high130 Ų13064.6 Ų64.657%0.56533%0.332SS*.Hα-helixtrans-63.4-41.3174.5-73.1171.5-173.7173.70112D282 E283 M288 E289 S290D282-K286 VanDerWaalsContact O-CG 3.3Å; D282-K286 WeakPolarHBondContact O-CG 3.43Å; D282-K286 PolarHBondContact O-N 3.46Å; E283-K286 PolarHBondContact O-N 2.58Å; K286-M288 VanDerWaalsContact C-N 3.35Å; K286-E289 PolarHBondContact O-N 3.38Å; K286-S290 PolarHBondContact O-N 3.16Å; K286-S290 VanDerWaalsContact O-N 3.08Å
287Q97.8Very high96.5Very high47 Ų4762.6 Ų62.622%0.2232%0.323CS..Hα-helixtrans-64-40.2176.5-170.2-177.1-10.600111.6I236 E283 D284 E289 S290 F291I236-Q287 HydrophobicContact CD1-CB 4.26Å; I236-Q287 HydrophobicContact CD1-CG 4.09Å; E283-Q287 WeakPolarHBondContact O-CB 3.24Å; E283-Q287 PolarHBondContact O-N 3.06Å; D284-Q287 PolarHBondContact O-N 3.4Å; Q287-E289 VanDerWaalsContact C-N 3.31Å; Q287-E289 PolarHBondContact O-N 3.12Å; Q287-S290 PolarHBondContact O-N 3.18Å; Q287-S290 PolarHBondContact O-OG 3.4Å; Q287-F291 HydrophobicContact CG-CE1 4.17Å; Q287-F291 HydrophobicContact CG-CZ 4.25Å; Q287-F291 WeakPolarHBondContact O-CD1 3.47Å; Q287-F291 WeakPolarHBondContact O-CE1 3.19Å
288M97.9Very high96.3Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-63.7-36.8174.8-72.2-66.3-69.600112.3P188 L233 I236 V247 I248 W251 L280 D284 M285 K286 S290 F291P188-M288 HydrophobicContact CB-CE 4.27Å; P188-M288 HydrophobicContact CG-CE 3.48Å; P188-M288 VanDerWaalsContact CG-CE 3.48Å; L233-M288 HydrophobicContact CD1-CE 3.92Å; L233-M288 HydrophobicContact CD1-SD 3.68Å; I236-M288 HydrophobicContact CD1-CG 3.89Å; I236-M288 HydrophobicContact CD1-SD 3.57Å; I236-M288 VanDerWaalsContact CD1-SD 3.57Å; V247-M288 HydrophobicContact CG1-CE 4.15Å; V247-M288 HydrophobicContact CG1-SD 3.86Å; I248-M288 HydrophobicContact CG1-CE 4.25Å; W251-M288 HydrophobicContact CB-CE 3.8Å; W251-M288 HydrophobicContact CB-CG 4.37Å; W251-M288 HydrophobicContact CD2-CB 4.32Å; W251-M288 HydrophobicContact CD2-CE 4.2Å; W251-M288 HydrophobicContact CE3-CE 4.48Å; W251-M288 HydrophobicContact CG-CB 3.88Å; W251-M288 HydrophobicContact CG-CE 3.9Å; W251-M288 HydrophobicContact CG-CG 4.14Å; L280-M288 HydrophobicContact CD1-CG 4.29Å; D284-M288 WeakPolarHBondContact O-CB 3.46Å; D284-M288 VanDerWaalsContact O-CG 3.24Å; D284-M288 WeakPolarHBondContact O-CG 3.38Å; D284-M288 PolarHBondContact O-N 2.94Å; M285-M288 PolarHBondContact O-N 2.99Å; K286-M288 VanDerWaalsContact C-N 3.35Å; M288-S290 VanDerWaalsContact C-N 3.35Å; M288-F291 PolarHBondContact O-N 2.71Å; M288-F291 HydrophobicContact SD-CD2 4.23Å; M288-F291 HydrophobicContact SD-CE2 3.8Å
289E94.8Very high95.8Very high87 Ų8756.6 Ų56.641%0.40729%0.292SS..Hα-helixtrans-68.9-32176.9-73.7179.7170.200112.6W251 R255 M285 K286 Q287 F291 S292W251-E289 HydrophobicContact CZ2-CG 4.37Å; R255-E289 IonicContact CZ-OE1 3.94Å; R255-E289 IonicContact NE-OE1 3.49Å; R255-E289 PolarHBondContact NE-OE1 3.15Å; R255-E289 IonicContact NH2-OE1 3.31Å; M285-E289 WeakPolarHBondContact O-CG 3.31Å; M285-E289 PolarHBondContact O-N 2.81Å; M285-E289 VanDerWaalsContact O-N 3.08Å; K286-E289 PolarHBondContact O-N 3.38Å; Q287-E289 VanDerWaalsContact C-N 3.31Å; Q287-E289 PolarHBondContact O-N 3.12Å; E289-F291 PolarHBondContact O-N 2.93Å; E289-S292 WeakPolarHBondContact O-CB 3.36Å; E289-S292 PolarHBondContact O-N 2.94Å; E289-S292 VanDerWaalsContact O-N 3.14Å
290S96.2Very high95Very high88 Ų8854.3 Ų54.362%0.61528%0.275SS*.THydrogen-bonded Turntrans-69.8-12.4178.377.50000114.1K286 Q287 M288 S292K286-S290 PolarHBondContact O-N 3.16Å; K286-S290 VanDerWaalsContact O-N 3.08Å; Q287-S290 PolarHBondContact O-N 3.18Å; Q287-S290 PolarHBondContact O-OG 3.4Å; M288-S290 VanDerWaalsContact C-N 3.35Å; S290-S292 PolarHBondContact O-N 3.23Å
291F96.3Very high94.4Very high26 Ų2655.5 Ų55.511%0.11428%0.284CS..THydrogen-bonded Turntrans-72-16.4172.5-61.4-12.6000112.6P188 Y189 L233 I236 Q287 M288 E289 R293P188-F291 HydrophobicContact CB-CB 3.88Å; P188-F291 HydrophobicContact CB-CD2 3.86Å; P188-F291 HydrophobicContact CB-CG 4.4Å; P188-F291 CarbonylContact O-C 3.45Å; Y189-F291 HydrophobicContact CD1-CB 4.03Å; Y189-F291 WeakPolarHBondContact CD1-O 3.17Å; Y189-F291 HydrophobicContact CE1-CB 4.18Å; L233-F291 HydrophobicContact CB-CE2 4.03Å; I236-F291 HydrophobicContact CD1-CE2 4.3Å; I236-F291 HydrophobicContact CD1-CZ 4.12Å; Q287-F291 HydrophobicContact CG-CE1 4.17Å; Q287-F291 HydrophobicContact CG-CZ 4.25Å; Q287-F291 WeakPolarHBondContact O-CD1 3.47Å; Q287-F291 WeakPolarHBondContact O-CE1 3.19Å; M288-F291 PolarHBondContact O-N 2.71Å; M288-F291 HydrophobicContact SD-CD2 4.23Å; M288-F291 HydrophobicContact SD-CE2 3.8Å; E289-F291 PolarHBondContact O-N 2.93Å; F291-R293 PolarHBondContact O-N 3.46Å
292S95.6Very high93.9Very high37 Ų3755.2 Ų55.226%0.25928%0.28SS..  trans-60.4124.7-177.8-165.60000110.9P188 S191 E289 S290P188-S292 WeakPolarHBondContact O-CA 3.46Å; P188-S292 PolarHBondContact O-N 2.76Å; P188-S292 VanDerWaalsContact O-N 3.11Å; S191-S292 PolarHBondContact OG-OG 2.97Å; E289-S292 WeakPolarHBondContact O-CB 3.36Å; E289-S292 PolarHBondContact O-N 2.94Å; E289-S292 VanDerWaalsContact O-N 3.14Å; S290-S292 PolarHBondContact O-N 3.23Å
293R94.7Very high93.3Very high93 Ų9356.5 Ų56.535%0.35128%0.282SS..  trans-13817.4-178.357.3-173.3-171.8-176.518.6112.5Y189 F291 E295Y189-R293 HydrophobicContact CD1-CG 4.31Å; Y189-R293 VanDerWaalsContact CD2-NH2 3.35Å; Y189-R293 VanDerWaalsContact CE2-CZ 3.41Å; Y189-R293 HydrophobicContact CG-CG 4.3Å; Y189-R293 VanDerWaalsContact CZ-CZ 3.48Å; Y189-R293 PolarHBondContact O-N 2.92Å; Y189-R293 VanDerWaalsContact O-N 3.08Å; F291-R293 PolarHBondContact O-N 3.46Å; R293-E295 VanDerWaalsContact CD-OE1 3.23Å; R293-E295 WeakPolarHBondContact CD-OE1 3.48Å; R293-E295 HydrophobicContact CG-CB 4.07Å; R293-E295 HydrophobicContact CG-CG 3.82Å; R293-E295 IonicContact CZ-OE1 3.38Å; R293-E295 VanDerWaalsContact CZ-OE1 3.31Å; R293-E295 IonicContact CZ-OE2 3.95Å; R293-E295 IonicContact NE-OE1 3.22Å; R293-E295 PolarHBondContact NE-OE1 3.39Å; R293-E295 IonicContact NE-OE2 2.71Å; R293-E295 PolarHBondContact NE-OE2 3.44Å; R293-E295 IonicContact NH2-OE1 3.86Å; R293-E295 PolarHBondContact NH2-OE1 2.69Å; R293-E295 IonicContact NH2-OE2 3.74Å; R293-E295 PolarHBondContact NH2-OE2 3.1Å; R293-E295 PolarHBondContact O-N 3.2Å
294N93.6Very high92.6Very high126 Ų12655.1 Ų55.167%0.67427%0.271SS*.  trans53.633.1-179.2-62.9-19.5000113.6Y189Y189-N294 PolarHBondContact O-N 2.82Å; Y189-N294 VanDerWaalsContact O-N 3.12Å
295E93.1Very high92Very high68 Ų6862.9 Ų62.932%0.31831%0.313SS..  trans-90.7109.8-179.5-84.8-178.1-15700111.4Y189 L190 R293 Y297Y189-E295 PolarHBondContact O-N 3.37Å; Y189-E295 VanDerWaalsContact O-N 3.14Å; L190-E295 WeakPolarHBondContact CB-O 3.43Å; R293-E295 VanDerWaalsContact CD-OE1 3.23Å; R293-E295 WeakPolarHBondContact CD-OE1 3.48Å; R293-E295 HydrophobicContact CG-CB 4.07Å; R293-E295 HydrophobicContact CG-CG 3.82Å; R293-E295 IonicContact CZ-OE1 3.38Å; R293-E295 VanDerWaalsContact CZ-OE1 3.31Å; R293-E295 IonicContact CZ-OE2 3.95Å; R293-E295 IonicContact NE-OE1 3.22Å; R293-E295 PolarHBondContact NE-OE1 3.39Å; R293-E295 IonicContact NE-OE2 2.71Å; R293-E295 PolarHBondContact NE-OE2 3.44Å; R293-E295 IonicContact NH2-OE1 3.86Å; R293-E295 PolarHBondContact NH2-OE1 2.69Å; R293-E295 IonicContact NH2-OE2 3.74Å; R293-E295 PolarHBondContact NH2-OE2 3.1Å; R293-E295 PolarHBondContact O-N 3.2Å; E295-Y297 HydrophobicContact CB-CE1 4.46Å
296R94Very high91.4Very high46 Ų4664.9 Ų64.917%0.17434%0.339CS..  trans-94.9126.1175.4-170.9-178.9-62.2-70.6-15.7111.5E185 L190 V299 Y324E185-R296 WeakPolarHBondContact OE1-CA 3.47Å; E185-R296 WeakPolarHBondContact OE2-CG 3.33Å; L190-R296 HydrophobicContact CD2-CB 4.12Å; L190-R296 HydrophobicContact CD2-CG 4.14Å; R296-V299 HydrophobicContact CB-CG2 4.28Å; R296-V299 HydrophobicContact CG-CG2 3.64Å; R296-Y324 PolarHBondContact NH2-OH 2.96Å
297Y93.2Very high90.8Very high19 Ų1966 Ų668%0.07534%0.344CS..  trans-96.5-32.4179.5-66.8-26.4000113.9E185 H187 Y189 G213 R217 W219 P225 E295 V299E185-Y297 WeakPolarHBondContact OE1-CB 3.44Å; E185-Y297 PolarHBondContact OE1-N 3.42Å; E185-Y297 PolarHBondContact OE2-N 3.2Å; H187-Y297 AromaticContact CE1-CD2 3.81Å; H187-Y297 AromaticContact CE1-CE2 3.91Å; H187-Y297 AromaticContact NE2-CD2 3.47Å; H187-Y297 WeakPolarHBondContact NE2-CD2 3.43Å; H187-Y297 AromaticContact NE2-CE2 3.98Å; Y189-Y297 HydrophobicContact CD2-CE2 4.38Å; Y189-Y297 WeakPolarHBondContact CD2-OH 3.24Å; G213-Y297 WeakPolarHBondContact O-CD2 3.41Å; R217-Y297 PolarHBondContact NE-O 3.16Å; W219-Y297 PolarHBondContact NE1-O 3.27Å; P225-Y297 PolarHBondContact O-OH 2.76Å; E295-Y297 HydrophobicContact CB-CE1 4.46Å; Y297-V299 PolarHBondContact O-N 3.16Å
298I93.1Very high90.2Very high14 Ų1469.7 Ų69.77%0.07236%0.356CS..  trans-99.479-175.8-49.4-55.2000109.7W21 E185 Y209 S210 R217 W219W21-I298 HydrophobicContact CH2-CD1 4.28Å; W21-I298 HydrophobicContact CZ3-CD1 4.19Å; E185-I298 HydrophobicContact CG-CG1 4.5Å; E185-I298 WeakPolarHBondContact OE2-CA 3.37Å; E185-I298 WeakPolarHBondContact OE2-CB 3.2Å; E185-I298 PolarHBondContact OE2-N 3.35Å; Y209-I298 HydrophobicContact CD2-CG1 4.41Å; Y209-I298 HydrophobicContact CE2-CB 3.76Å; Y209-I298 HydrophobicContact CE2-CG1 3.75Å; Y209-I298 HydrophobicContact CE2-CG2 3.97Å; S210-I298 WeakPolarHBondContact OG-CG1 3.34Å; R217-I298 HydrophobicContact CB-CD1 4.46Å; W219-I298 HydrophobicContact CZ2-CD1 4.21Å; W219-I298 HydrophobicContact CZ2-CG2 4.39Å
299V87.3Confident89.8Confident3 Ų372.1 Ų72.12%0.01837%0.371CS..  trans-125.7123.4168.3-168.60000109.1R296 Y297 S301 W310 F318 F320R296-V299 HydrophobicContact CB-CG2 4.28Å; R296-V299 HydrophobicContact CG-CG2 3.64Å; Y297-V299 PolarHBondContact O-N 3.16Å; V299-S301 PolarHBondContact O-N 2.77Å; V299-S301 PolarHBondContact O-OG 3.18Å; V299-W310 HydrophobicContact CB-CD2 4.49Å; V299-W310 HydrophobicContact CB-CG 4.39Å; V299-W310 HydrophobicContact CG1-CB 3.92Å; V299-W310 HydrophobicContact CG1-CD2 3.66Å; V299-W310 HydrophobicContact CG1-CE3 4.27Å; V299-W310 HydrophobicContact CG1-CG 3.48Å; V299-W310 VanDerWaalsContact CG1-CG 3.48Å; V299-W310 HydrophobicContact CG2-CZ2 4.19Å; V299-F318 HydrophobicContact CG1-CZ 4.03Å; V299-F320 HydrophobicContact CG2-CD2 4.4Å
300P81.1Confident89.6Confident18 Ų1873.2 Ų73.212%0.11737%0.371CS..  trans-52.8116.3170.1-24.133.9000109.8W113 R311W113-P300 HydrophobicContact CH2-CG 4.43Å; W113-P300 HydrophobicContact CZ2-CG 4.43Å; P300-R311 HydrophobicContact CB-CB 4.23Å; P300-R311 VanDerWaalsContact CB-CZ 3.45Å; P300-R311 WeakPolarHBondContact O-CB 3.45Å; P300-R311 PolarHBondContact O-N 3.41Å
301S86.1Confident89.4Confident30 Ų3070.7 Ų70.721%0.2135%0.348CS..EExtended strand (participates in β ladder)trans-120.5149.1-175.5-550000110.3V299 R308 V309V299-S301 PolarHBondContact O-N 2.77Å; V299-S301 PolarHBondContact O-OG 3.18Å; S301-R308 VanDerWaalsContact CB-NE 3.26Å; S301-R308 PolarHBondContact OG-NE 3.29Å; S301-R308 PolarHBondContact OG-NH2 3.02Å; S301-V309 CarbonylContact C-O 3.47Å; S301-V309 VanDerWaalsContact CA-O 3.24Å; S301-V309 WeakPolarHBondContact CA-O 3.38Å
302V85.9Confident89.3Confident48 Ų4869.5 Ų69.529%0.29134%0.343SS..EExtended strand (participates in β ladder)trans-134160171.9-690000109.5R304 V309 R311V302-R304 HydrophobicContact CG2-CG 4.21Å; V302-V309 HydrophobicContact CG2-CG2 3.98Å; V302-V309 PolarHBondContact N-O 2.93Å; V302-V309 PolarHBondContact O-N 3.37Å; V302-R311 HydrophobicContact CG1-CB 3.97Å; V302-R311 HydrophobicContact CG1-CG 3.71Å; V302-R311 HydrophobicContact CG2-CB 4.13Å; V302-R311 HydrophobicContact CG2-CG 4.26Å
303E86.1Confident89.2Confident156 Ų15669 Ų6973%0.72934%0.341SS*.EExtended strand (participates in β ladder)trans-88.5127.5169.7-164.7177.7154.300109.3K307E303-K307 WeakPolarHBondContact CA-O 3.42Å
304R83.4Confident89.1Confident95 Ų9572.3 Ų72.336%0.35836%0.361SS..EExtended strand (participates in β ladder)trans-133.7125.2171.1-66.6-170.6-175.2167.5-1.4107.8V302 G306 K307 V309 E314V302-R304 HydrophobicContact CG2-CG 4.21Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 2.76Å; R304-K307 PolarHBondContact N-O 3.41Å; R304-K307 PolarHBondContact O-N 2.93Å; R304-V309 HydrophobicContact CB-CG2 4.03Å; R304-V309 HydrophobicContact CG-CG2 3.81Å; R304-E314 IonicContact NH1-OE1 3.56Å
305D86.7Confident89.2Confident168 Ų16867 Ų6790%0.89833%0.332SS*.THydrogen-bonded Turntrans51.942.2179.7-53.3-40.7000114.2K307D305-K307 PolarHBondContact O-N 2.91Å
306G84.9Confident89.3Confident64 Ų6468.7 Ų68.766%0.6635%0.349SS*.THydrogen-bonded Turntrans69.99.4-178.800000114.4R304R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 2.76Å
307K86.1Confident89.4Confident154 Ų15468 Ų6867%0.6735%0.348SS*.EExtended strand (participates in β ladder)trans-117.2140.6175.7-67.1-177.7-178.2176.90110.6E303 R304 D305E303-K307 WeakPolarHBondContact CA-O 3.42Å; R304-K307 PolarHBondContact N-O 3.41Å; R304-K307 PolarHBondContact O-N 2.93Å; D305-K307 PolarHBondContact O-N 2.91Å
308R84Confident89.6Confident123 Ų12367.4 Ų67.446%0.46435%0.345SS..EExtended strand (participates in β ladder)trans-80.1122172-174.7175.9170.1174.40.7109.7W219 S301W219-R308 VanDerWaalsContact CB-NH2 3.29Å; W219-R308 PolarHBondContact O-NH1 3.02Å; S301-R308 VanDerWaalsContact CB-NE 3.26Å; S301-R308 PolarHBondContact OG-NE 3.29Å; S301-R308 PolarHBondContact OG-NH2 3.02Å
309V89.6Confident89.8Confident52 Ų5266.7 Ų66.732%0.31534%0.342SS..EExtended strand (participates in β ladder)trans-126158.7177.9-60.20000110.8S301 V302 R304 R311S301-V309 CarbonylContact C-O 3.47Å; S301-V309 VanDerWaalsContact CA-O 3.24Å; S301-V309 WeakPolarHBondContact CA-O 3.38Å; V302-V309 HydrophobicContact CG2-CG2 3.98Å; V302-V309 PolarHBondContact N-O 2.93Å; V302-V309 PolarHBondContact O-N 3.37Å; R304-V309 HydrophobicContact CB-CG2 4.03Å; R304-V309 HydrophobicContact CG-CG2 3.81Å; V309-R311 PolarHBondContact O-N 3.49Å
310W91.7Very high90.3Very high109 Ų10967.5 Ų67.541%0.41335%0.345SS..EExtended strand (participates in β ladder)trans-72.6121.8173.6-65.5-1.5000109.5V299 D312 A313 F318 F320V299-W310 HydrophobicContact CB-CD2 4.49Å; V299-W310 HydrophobicContact CB-CG 4.39Å; V299-W310 HydrophobicContact CG1-CB 3.92Å; V299-W310 HydrophobicContact CG1-CD2 3.66Å; V299-W310 HydrophobicContact CG1-CE3 4.27Å; V299-W310 HydrophobicContact CG1-CG 3.48Å; V299-W310 VanDerWaalsContact CG1-CG 3.48Å; V299-W310 HydrophobicContact CG2-CZ2 4.19Å; W310-D312 VanDerWaalsContact C-N 3.3Å; W310-D312 PolarHBondContact O-N 2.87Å; W310-A313 HydrophobicContact CB-CB 3.71Å; W310-A313 HydrophobicContact CE3-CB 4.28Å; W310-F318 HydrophobicContact CD2-CZ 4.34Å; W310-F318 AromaticContact CE3-CE1 3.46Å; W310-F318 HydrophobicContact CE3-CE1 3.46Å; W310-F318 VanDerWaalsContact CE3-CE1 3.46Å; W310-F318 AromaticContact CE3-CZ 3.6Å; W310-F318 HydrophobicContact CE3-CZ 3.6Å; W310-F318 AromaticContact CZ3-CE1 3.74Å; W310-F318 HydrophobicContact CZ3-CE1 3.74Å; W310-F318 HydrophobicContact CZ3-CZ 4.14Å; W310-F320 HydrophobicContact CZ3-CB 4.14Å
311R91.6Very high90.9Very high35 Ų3571.4 Ų71.413%0.13237%0.365CS..THydrogen-bonded Turntrans-60.1-40.4-172.1-173.8-171.570.9-158.5-2.7112.7V132 Y134 P300 V302 V309V132-R311 HydrophobicContact CG2-CG 4.4Å; Y134-R311 PolarHBondContact OH-O 3.23Å; P300-R311 HydrophobicContact CB-CB 4.23Å; P300-R311 VanDerWaalsContact CB-CZ 3.45Å; P300-R311 WeakPolarHBondContact O-CB 3.45Å; P300-R311 PolarHBondContact O-N 3.41Å; V302-R311 HydrophobicContact CG1-CB 3.97Å; V302-R311 HydrophobicContact CG1-CG 3.71Å; V302-R311 HydrophobicContact CG2-CB 4.13Å; V302-R311 HydrophobicContact CG2-CG 4.26Å; V309-R311 PolarHBondContact O-N 3.49Å
312D93.3Very high91.1Very high1 Ų173.1 Ų73.11%0.00537%0.37CS..THydrogen-bonded Turntrans-106.86.5-169.4-51.3-30.5000112.6M115 Y134 W310 E314 H315 F318M115-D312 HydrophobicContact CE-CB 3.79Å; M115-D312 HydrophobicContact SD-CB 3.91Å; Y134-D312 PolarHBondContact OH-OD1 3.43Å; W310-D312 VanDerWaalsContact C-N 3.3Å; W310-D312 PolarHBondContact O-N 2.87Å; D312-E314 PolarHBondContact O-N 3.41Å; D312-E314 VanDerWaalsContact O-N 3.13Å; D312-H315 WeakPolarHBondContact O-CB 3.28Å; D312-H315 PolarHBondContact O-N 2.58Å; D312-F318 HydrophobicContact CB-CD2 3.75Å; D312-F318 HydrophobicContact CB-CE2 3.99Å; D312-F318 WeakPolarHBondContact O-CB 3.5Å; D312-F318 VanDerWaalsContact O-CD2 3.25Å; D312-F318 WeakPolarHBondContact O-CD2 3.41Å; D312-F318 WeakPolarHBondContact O-CG 3.45Å
313A93.6Very high91.3Very high27 Ų2776.8 Ų76.822%0.22339%0.394CS..THydrogen-bonded Turntrans-63.1-24.3-170.900000114.6W310 H315 F318 N321W310-A313 HydrophobicContact CB-CB 3.71Å; W310-A313 HydrophobicContact CE3-CB 4.28Å; A313-H315 VanDerWaalsContact C-N 3.32Å; A313-F318 HydrophobicContact CB-CD1 4.34Å; A313-F318 HydrophobicContact CB-CE1 4.19Å; A313-N321 PolarHBondContact O-ND2 3.25Å
314E92Very high91.1Very high163 Ų16371.4 Ų71.476%0.76237%0.368SS*.THydrogen-bonded Turntrans-83.5-8176.4-67.1168.3-163.100112.8R304 D312R304-E314 IonicContact NH1-OE1 3.56Å; D312-E314 PolarHBondContact O-N 3.41Å; D312-E314 VanDerWaalsContact O-N 3.13Å
315H95.7Very high91.5Very high13 Ų1370.3 Ų70.36%0.0637%0.368CS..SBendtrans-67.9133.9178.7-169.6-81.3000110.2M115 Y134 D312 A313 H317 F318M115-H315 WeakPolarHBondContact CG-ND1 3.38Å; M115-H315 HydrophobicContact SD-CB 3.67Å; Y134-H315 AromaticContact CD1-CD2 3.43Å; Y134-H315 VanDerWaalsContact CD1-CD2 3.43Å; Y134-H315 WeakPolarHBondContact CD1-CD2 3.22Å; Y134-H315 AromaticContact CE1-CD2 3.9Å; Y134-H315 AromaticContact CG-CD2 3.59Å; D312-H315 WeakPolarHBondContact O-CB 3.28Å; D312-H315 PolarHBondContact O-N 2.58Å; A313-H315 VanDerWaalsContact C-N 3.32Å; H315-H317 AromaticContact CE1-CD2 3.93Å; H315-H317 PolarHBondContact ND1-N 3.45Å; H315-H317 PolarHBondContact O-N 2.8Å; H315-F318 HydrophobicContact CB-CB 4.32Å; H315-F318 VanDerWaalsContact O-CB 3.27Å; H315-F318 WeakPolarHBondContact O-CB 3.33Å; H315-F318 PolarHBondContact O-N 2.89Å
316P95.5Very high91.8Very high105 Ų10565.1 Ų65.168%0.68234%0.34SS*.THydrogen-bonded Turntrans-57.8-26.5-176.9-26.834.7000114.7
317H97Very high92.2Very high32 Ų3265.2 Ų65.215%0.14832%0.322CS..THydrogen-bonded Turntrans-102.916.4177.8-55.2-39.4000113.9P114 M115 H138 Y139 Q167 H315 P319P114-H317 VanDerWaalsContact CG-O 3.3Å; P114-H317 WeakPolarHBondContact CG-O 3.24Å; P114-H317 WeakPolarHBondContact O-CB 3.43Å; M115-H317 HydrophobicContact CG-CB 4.18Å; H138-H317 AromaticContact CD2-CE1 3.36Å; H138-H317 PolarHBondContact CD2-CE1 3.08Å; H138-H317 AromaticContact CD2-NE2 3.29Å; H138-H317 PolarHBondContact CD2-NE2 3.36Å; H138-H317 VanDerWaalsContact CD2-NE2 3.29Å; H138-H317 AromaticContact NE2-CE1 3.5Å; H138-H317 PolarHBondContact NE2-CE1 3.21Å; H138-H317 AromaticContact NE2-NE2 3.89Å; Y139-H317 HydrophobicContact CD1-CB 4.31Å; Y139-H317 AromaticContact CD1-CG 3.98Å; Y139-H317 HydrophobicContact CE1-CB 4.34Å; Y139-H317 AromaticContact CE1-CG 3.88Å; Y139-H317 AromaticContact CE1-ND1 3.71Å; Q167-H317 PolarHBondContact NE2-O 3.12Å; H315-H317 AromaticContact CE1-CD2 3.93Å; H315-H317 PolarHBondContact ND1-N 3.45Å; H315-H317 PolarHBondContact O-N 2.8Å; H317-P319 WeakPolarHBondContact O-CD 3.47Å
318F97.6Very high92.5Very high5 Ų559.9 Ų59.92%0.02230%0.302CS..  trans-63.8120.4176.6-173.8-105.7000110.8M115 V299 W310 D312 A313 H315 F320 N321M115-F318 HydrophobicContact CE-CD2 3.99Å; M115-F318 HydrophobicContact SD-CB 4.11Å; M115-F318 HydrophobicContact SD-CD2 3.88Å; M115-F318 HydrophobicContact SD-CG 4.5Å; V299-F318 HydrophobicContact CG1-CZ 4.03Å; W310-F318 HydrophobicContact CD2-CZ 4.34Å; W310-F318 AromaticContact CE3-CE1 3.46Å; W310-F318 HydrophobicContact CE3-CE1 3.46Å; W310-F318 VanDerWaalsContact CE3-CE1 3.46Å; W310-F318 AromaticContact CE3-CZ 3.6Å; W310-F318 HydrophobicContact CE3-CZ 3.6Å; W310-F318 AromaticContact CZ3-CE1 3.74Å; W310-F318 HydrophobicContact CZ3-CE1 3.74Å; W310-F318 HydrophobicContact CZ3-CZ 4.14Å; D312-F318 HydrophobicContact CB-CD2 3.75Å; D312-F318 HydrophobicContact CB-CE2 3.99Å; D312-F318 WeakPolarHBondContact O-CB 3.5Å; D312-F318 VanDerWaalsContact O-CD2 3.25Å; D312-F318 WeakPolarHBondContact O-CD2 3.41Å; D312-F318 WeakPolarHBondContact O-CG 3.45Å; A313-F318 HydrophobicContact CB-CD1 4.34Å; A313-F318 HydrophobicContact CB-CE1 4.19Å; H315-F318 HydrophobicContact CB-CB 4.32Å; H315-F318 VanDerWaalsContact O-CB 3.27Å; H315-F318 WeakPolarHBondContact O-CB 3.33Å; H315-F318 PolarHBondContact O-N 2.89Å; F318-F320 VanDerWaalsContact C-N 3.33Å; F318-F320 HydrophobicContact CD1-CB 4.31Å; F318-F320 HydrophobicContact CE1-CB 3.62Å; F318-F320 HydrophobicContact CE1-CD2 4.09Å; F318-F320 HydrophobicContact CE1-CG 4.24Å; F318-F320 HydrophobicContact CE2-CD2 4.08Å; F318-F320 HydrophobicContact CZ-CB 4.02Å; F318-F320 AromaticContact CZ-CD2 3.59Å; F318-F320 HydrophobicContact CZ-CD2 3.59Å; F318-F320 HydrophobicContact CZ-CG 4.19Å; F318-F320 PolarHBondContact O-N 2.85Å; F318-N321 WeakPolarHBondContact CD1-OD1 3.23Å
319P97.3Very high93.1Very high0 Ų056 Ų560%029%0.292CS..THydrogen-bonded Turntrans-76.6-17.3-165.427.5-35.4000114.4W113 P114 N162 N164 H317W113-P319 HydrophobicContact CE3-CG 4.32Å; W113-P319 HydrophobicContact CZ3-CG 4.19Å; P114-P319 HydrophobicContact CG-CB 4.09Å; P114-P319 HydrophobicContact CG-CG 4.08Å; N162-P319 HydrophobicContact CB-CG 4.36Å; N162-P319 WeakPolarHBondContact O-CB 3.21Å; N162-P319 WeakPolarHBondContact O-CG 3.27Å; N164-P319 WeakPolarHBondContact CB-O 3.49Å; N164-P319 PolarHBondContact ND2-O 3.31Å; H317-P319 WeakPolarHBondContact O-CD 3.47Å
320F96.9Very high93.3Very high20 Ų2056.3 Ų56.39%0.08829%0.29CS..THydrogen-bonded Turntrans-103.211.3-167.5-45.3-41.7000114.2W113 N162 V299 W310 F318W113-F320 AromaticContact CH2-CE2 3.82Å; W113-F320 HydrophobicContact CH2-CE2 3.82Å; W113-F320 AromaticContact CH2-CZ 3.94Å; W113-F320 HydrophobicContact CH2-CZ 3.94Å; W113-F320 AromaticContact CZ3-CE2 3.59Å; W113-F320 HydrophobicContact CZ3-CE2 3.59Å; W113-F320 AromaticContact CZ3-CZ 3.63Å; W113-F320 HydrophobicContact CZ3-CZ 3.63Å; N162-F320 HydrophobicContact CB-CE1 4.42Å; N162-F320 HydrophobicContact CB-CZ 4.1Å; V299-F320 HydrophobicContact CG2-CD2 4.4Å; W310-F320 HydrophobicContact CZ3-CB 4.14Å; F318-F320 VanDerWaalsContact C-N 3.33Å; F318-F320 HydrophobicContact CD1-CB 4.31Å; F318-F320 HydrophobicContact CE1-CB 3.62Å; F318-F320 HydrophobicContact CE1-CD2 4.09Å; F318-F320 HydrophobicContact CE1-CG 4.24Å; F318-F320 HydrophobicContact CE2-CD2 4.08Å; F318-F320 HydrophobicContact CZ-CB 4.02Å; F318-F320 AromaticContact CZ-CD2 3.59Å; F318-F320 HydrophobicContact CZ-CD2 3.59Å; F318-F320 HydrophobicContact CZ-CG 4.19Å; F318-F320 PolarHBondContact O-N 2.85Å
321N93.5Very high93.4Very high100 Ų10052.5 Ų52.554%0.53528%0.282SS..SBendtrans-82.2-25.4173.1-72.9-19.8000112.6A313 F318A313-N321 PolarHBondContact O-ND2 3.25Å; F318-N321 WeakPolarHBondContact CD1-OD1 3.23Å
322E91.6Very high93.6Very high66 Ų6653.8 Ų53.831%0.30829%0.293SS..SBendtrans-91.9141.6-178-66175.2-139.700110.6R166R166-E322 WeakPolarHBondContact CB-OE2 3.36Å; R166-E322 IonicContact CZ-OE1 3.58Å; R166-E322 VanDerWaalsContact CZ-OE1 3.29Å; R166-E322 IonicContact NE-OE1 3.87Å; R166-E322 PolarHBondContact NE-OE1 2.92Å; R166-E322 IonicContact NE-OE2 3.17Å; R166-E322 PolarHBondContact NE-OE2 2.94Å; R166-E322 IonicContact NH2-OE1 2.73Å; R166-E322 PolarHBondContact NH2-OE1 3.2Å
323P89.9Confident93.6Very high124 Ų12458.3 Ų58.381%0.80532%0.317SS*.  trans-70.7150.6175.230.7-34.7000111.9
324Y82.4Confident93.6Very high44 Ų4461.1 Ų61.117%0.17333%0.326CS..  trans-166.70166.358-105.1000107.9N164 Q192 E194 L195 R296N164-Y324 HydrophobicContact CB-CD1 4.28Å; N164-Y324 HydrophobicContact CB-CE1 4.21Å; Q192-Y324 PolarHBondContact NE2-OH 3.44Å; E194-Y324 WeakPolarHBondContact CB-OXT 3.44Å; E194-Y324 WeakPolarHBondContact CG-OXT 3.4Å; E194-Y324 PolarHBondContact N-OXT 3.22Å; E194-Y324 WeakPolarHBondContact OE2-CA 3.44Å; L195-Y324 HydrophobicContact CB-CD2 3.66Å; L195-Y324 HydrophobicContact CB-CE2 4.17Å; L195-Y324 HydrophobicContact CB-CG 4.06Å; L195-Y324 HydrophobicContact CD2-CD2 4.47Å; L195-Y324 HydrophobicContact CD2-CE2 4.25Å; R296-Y324 PolarHBondContact NH2-OH 2.96Å

Retrieved 324 of 324 residues in 306.9 ms (Link to these results)

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