A0A087YFE5_POEFO Loading...

alcohol dehydrogenase (NADP(+))

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

AlphaFold DB , UniProt , Accession A0A087YFE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.9Low93.9Very high139 Ų13960.2 Ų60.269%0.68538%0.376SS*.  0153.20-89.3-167.5-170.100109.4R250 Q254M1-R250 VanDerWaalsContact SD-CZ 3.52Å; M1-R250 PolarHBondContact SD-NH2 3.39Å; M1-Q254 HydrophobicContact CE-CG 3.97Å
2S85.8Confident94.3Very high60 Ų6068.5 Ų68.542%0.4240%0.395SS..  trans-60.8141.9170.4-172.10000110.1F4 L15S2-F4 WeakPolarHBondContact CB-O 3.46Å; S2-F4 WeakPolarHBondContact OG-CD1 3.45Å; S2-F4 WeakPolarHBondContact OG-CE1 3.49Å; S2-F4 PolarHBondContact OG-N 3.44Å; S2-F4 PolarHBondContact OG-O 3.2Å; S2-L15 WeakPolarHBondContact O-CD1 3.38Å
3T95.5Very high94.6Very high72 Ų7263.2 Ų63.244%0.44236%0.364SS..SBendtrans-94.82.8173.9550000112.4P14 L15 F276T3-P14 WeakPolarHBondContact O-CA 2.97Å; T3-L15 PolarHBondContact O-N 2.66Å; T3-F276 HydrophobicContact CG2-CB 4.47Å; T3-F276 HydrophobicContact CG2-CD1 4.05Å; T3-F276 HydrophobicContact CG2-CD2 4.07Å; T3-F276 HydrophobicContact CG2-CE1 4.28Å; T3-F276 HydrophobicContact CG2-CE2 4.3Å; T3-F276 HydrophobicContact CG2-CG 3.94Å; T3-F276 HydrophobicContact CG2-CZ 4.39Å
4F98Very high94.9Very high52 Ų5260.4 Ų60.423%0.22835%0.349CS..EExtended strand (participates in β ladder)trans-144.2160.5-177.964.1-84.1000110.7S2 R12 M13S2-F4 WeakPolarHBondContact CB-O 3.46Å; S2-F4 WeakPolarHBondContact OG-CD1 3.45Å; S2-F4 WeakPolarHBondContact OG-CE1 3.49Å; S2-F4 PolarHBondContact OG-N 3.44Å; S2-F4 PolarHBondContact OG-O 3.2Å; F4-R12 HydrophobicContact CB-CB 4.46Å; F4-R12 VanDerWaalsContact CD1-NH2 3.31Å; F4-R12 HydrophobicContact CD2-CB 3.66Å; F4-R12 HydrophobicContact CD2-CG 3.63Å; F4-R12 HydrophobicContact CE2-CB 4.21Å; F4-R12 HydrophobicContact CE2-CG 3.66Å; F4-R12 HydrophobicContact CG-CB 4.14Å; F4-R12 HydrophobicContact CG-CG 4.47Å; F4-R12 VanDerWaalsContact CZ-NH2 3.32Å; F4-M13 CarbonylContact C-O 3.58Å; F4-M13 WeakPolarHBondContact CA-O 3.32Å; F4-M13 VanDerWaalsContact CB-O 3.31Å; F4-M13 WeakPolarHBondContact CB-O 3.39Å
5V97.6Very high95.2Very high28 Ų2857.1 Ų57.117%0.1733%0.33CS..EExtended strand (participates in β ladder)trans-107.7149165.2-65.90000109.4L7 R12 M13 L15 V258V5-L7 HydrophobicContact CG2-CD2 4.23Å; V5-R12 CarbonylContact O-C 3.55Å; V5-R12 WeakPolarHBondContact O-CA 3.45Å; V5-M13 HydrophobicContact CG2-CB 4.06Å; V5-M13 PolarHBondContact N-O 2.67Å; V5-M13 PolarHBondContact O-N 3.06Å; V5-L15 HydrophobicContact CG1-CD2 3.59Å; V5-L15 HydrophobicContact CG1-CG 4.02Å; V5-V258 HydrophobicContact CG2-CG2 3.74Å
6T98.2Very high95.4Very high95 Ų9553.7 Ų53.758%0.58331%0.31SS*.EExtended strand (participates in β ladder)trans-91.5116.8170.2-570000108Q11T6-Q11 WeakPolarHBondContact CA-O 3.44Å
7L98.5Very high95.6Very high7 Ų750.5 Ų50.54%0.03729%0.292CS..  trans-70.8161.6175.5-59.7-176.2000110.4V5 S9 G10 Q11 M13 F75 V180 V181 C205V5-L7 HydrophobicContact CG2-CD2 4.23Å; L7-S9 PolarHBondContact O-N 3.07Å; L7-S9 VanDerWaalsContact O-N 3.13Å; L7-G10 WeakPolarHBondContact O-CA 3.45Å; L7-G10 PolarHBondContact O-N 3.33Å; L7-Q11 HydrophobicContact CB-CB 4.5Å; L7-Q11 HydrophobicContact CD1-CB 4.25Å; L7-Q11 PolarHBondContact N-O 3.17Å; L7-M13 HydrophobicContact CD1-CB 4.04Å; L7-M13 HydrophobicContact CD1-SD 4.08Å; L7-M13 HydrophobicContact CD2-CB 4.1Å; L7-M13 HydrophobicContact CD2-SD 3.98Å; L7-M13 HydrophobicContact CG-CB 3.96Å; L7-M13 HydrophobicContact CG-SD 4.47Å; L7-F75 HydrophobicContact CD1-CE2 4.19Å; L7-F75 HydrophobicContact CD1-CZ 4.02Å; L7-V180 HydrophobicContact CB-CB 4.36Å; L7-V180 HydrophobicContact CD1-CB 4.47Å; L7-V180 HydrophobicContact CD1-CG2 3.95Å; L7-V181 HydrophobicContact CD1-CG2 4.26Å; L7-V181 HydrophobicContact CD2-CG2 3.95Å; L7-C205 HydrophobicContact CD2-CB 3.61Å
8S97.9Very high95.8Very high71 Ų7147.9 Ų47.950%0.49728%0.277SS..THydrogen-bonded Turntrans-62.5-16.9174.746.80000113.6G10 V180 A203S8-G10 VanDerWaalsContact C-N 3.28Å; S8-V180 WeakPolarHBondContact OG-CG1 3.46Å; S8-A203 PolarHBondContact OG-O 3.44Å
9S96.6Very high95.9Very high56 Ų5645.6 Ų45.639%0.39227%0.265SS..THydrogen-bonded Turntrans-77.1-5.8167.860.70000114.5L7 Q11L7-S9 PolarHBondContact O-N 3.07Å; L7-S9 VanDerWaalsContact O-N 3.13Å; S9-Q11 VanDerWaalsContact C-N 3.29Å; S9-Q11 PolarHBondContact O-N 3.46Å; S9-Q11 PolarHBondContact OG-OE1 3.15Å
10G97.8Very high96Very high53 Ų5343.4 Ų43.455%0.54625%0.252SS..SBendtrans84.2-7.2-172.800000114.6L7 S8L7-G10 WeakPolarHBondContact O-CA 3.45Å; L7-G10 PolarHBondContact O-N 3.33Å; S8-G10 VanDerWaalsContact C-N 3.28Å
11Q98.1Very high95.9Very high29 Ų2945 Ų4514%0.13625%0.254CS..  trans-66.2142.3176.1-72.5168.1-91.300111.7T6 L7 S9 F75 D107T6-Q11 WeakPolarHBondContact CA-O 3.44Å; L7-Q11 HydrophobicContact CB-CB 4.5Å; L7-Q11 HydrophobicContact CD1-CB 4.25Å; L7-Q11 PolarHBondContact N-O 3.17Å; S9-Q11 VanDerWaalsContact C-N 3.29Å; S9-Q11 PolarHBondContact O-N 3.46Å; S9-Q11 PolarHBondContact OG-OE1 3.15Å; Q11-F75 HydrophobicContact CB-CE2 4.33Å; Q11-D107 PolarHBondContact NE2-O 3.48Å
12R98.3Very high96.8Very high160 Ų16041.7 Ų41.760%0.60424%0.235SC*.EExtended strand (participates in β ladder)trans-90.2107.3170.7-66.517362-166.8-3109.2F4 V5F4-R12 HydrophobicContact CB-CB 4.46Å; F4-R12 VanDerWaalsContact CD1-NH2 3.31Å; F4-R12 HydrophobicContact CD2-CB 3.66Å; F4-R12 HydrophobicContact CD2-CG 3.63Å; F4-R12 HydrophobicContact CE2-CB 4.21Å; F4-R12 HydrophobicContact CE2-CG 3.66Å; F4-R12 HydrophobicContact CG-CB 4.14Å; F4-R12 HydrophobicContact CG-CG 4.47Å; F4-R12 VanDerWaalsContact CZ-NH2 3.32Å; V5-R12 CarbonylContact O-C 3.55Å; V5-R12 WeakPolarHBondContact O-CA 3.45Å
13M98.8Very high96.7Very high0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-98119.2178.3-174.9175.9-172.200110F4 V5 L7 L15 H42 F75 L108 V181 V258F4-M13 CarbonylContact C-O 3.58Å; F4-M13 WeakPolarHBondContact CA-O 3.32Å; F4-M13 VanDerWaalsContact CB-O 3.31Å; F4-M13 WeakPolarHBondContact CB-O 3.39Å; V5-M13 HydrophobicContact CG2-CB 4.06Å; V5-M13 PolarHBondContact N-O 2.67Å; V5-M13 PolarHBondContact O-N 3.06Å; L7-M13 HydrophobicContact CD1-CB 4.04Å; L7-M13 HydrophobicContact CD1-SD 4.08Å; L7-M13 HydrophobicContact CD2-CB 4.1Å; L7-M13 HydrophobicContact CD2-SD 3.98Å; L7-M13 HydrophobicContact CG-CB 3.96Å; L7-M13 HydrophobicContact CG-SD 4.47Å; M13-L15 PolarHBondContact O-N 2.97Å; M13-H42 WeakPolarHBondContact CE-CE1 3.18Å; M13-F75 HydrophobicContact CB-CD2 4.29Å; M13-F75 HydrophobicContact CB-CE2 3.93Å; M13-F75 HydrophobicContact CB-CZ 4.2Å; M13-F75 HydrophobicContact CE-CE1 3.96Å; M13-F75 HydrophobicContact CE-CZ 4.41Å; M13-F75 HydrophobicContact CG-CD1 4.32Å; M13-F75 HydrophobicContact CG-CD2 4.34Å; M13-F75 HydrophobicContact CG-CE1 4.04Å; M13-F75 HydrophobicContact CG-CE2 4.06Å; M13-F75 HydrophobicContact CG-CG 4.47Å; M13-F75 HydrophobicContact CG-CZ 3.91Å; M13-F75 HydrophobicContact SD-CE1 4.17Å; M13-F75 HydrophobicContact SD-CZ 4.03Å; M13-L108 HydrophobicContact CE-CD2 3.95Å; M13-L108 HydrophobicContact SD-CD2 4.48Å; M13-V181 HydrophobicContact CE-CG2 4.39Å; M13-V181 HydrophobicContact SD-CG2 3.86Å; M13-V258 HydrophobicContact CE-CG1 4.17Å; M13-V258 HydrophobicContact CG-CG2 4.5Å; M13-V258 HydrophobicContact SD-CG2 4.31Å
14P98.8Very high96.2Very high24 Ų2437.8 Ų37.816%0.15621%0.214CC..EExtended strand (participates in β ladder)trans-58.4135.2177.1-2635.7000112.3T3 V16 R41 H42 V258T3-P14 WeakPolarHBondContact O-CA 2.97Å; P14-V16 PolarHBondContact O-N 3.01Å; P14-R41 HydrophobicContact CG-CB 4.04Å; P14-H42 HydrophobicContact CB-CB 3.8Å; P14-H42 HydrophobicContact CG-CB 3.84Å; P14-H42 PolarHBondContact O-ND1 2.94Å; P14-V258 WeakPolarHBondContact O-CG1 3.48Å
15L98.7Very high95.4Very high10 Ų1040.7 Ų40.75%0.05224%0.238CC..SBendtrans-65.9-18.5-178.3-86.8165.8000113.3S2 T3 V5 M13 V253 V258 C259 F276S2-L15 WeakPolarHBondContact O-CD1 3.38Å; T3-L15 PolarHBondContact O-N 2.66Å; V5-L15 HydrophobicContact CG1-CD2 3.59Å; V5-L15 HydrophobicContact CG1-CG 4.02Å; M13-L15 PolarHBondContact O-N 2.97Å; L15-V253 HydrophobicContact CB-CB 4.36Å; L15-V253 HydrophobicContact CB-CG1 4.02Å; L15-V253 HydrophobicContact CD1-CB 4.36Å; L15-V253 HydrophobicContact CD2-CB 4.37Å; L15-V258 HydrophobicContact CD2-CG2 4.19Å; L15-V258 CarbonylContact O-C 3.4Å; L15-V258 WeakPolarHBondContact O-CA 3.49Å; L15-C259 PolarHBondContact O-N 3.3Å; L15-F276 HydrophobicContact CB-CE1 4.1Å; L15-F276 HydrophobicContact CB-CZ 3.95Å; L15-F276 HydrophobicContact CD1-CE1 4.13Å
16V98.8Very high94.9Very high3 Ų342 Ų422%0.01826%0.257CS..BIsolated β-bridgetrans-128.1123.1174.2-179.60000108.9P14 Y40 V253 C259 P261 L273 V275 F276P14-V16 PolarHBondContact O-N 3.01Å; V16-Y40 HydrophobicContact CG1-CE1 3.73Å; V16-V253 HydrophobicContact CG2-CG1 3.93Å; V16-C259 CarbonylContact C-O 3.41Å; V16-C259 WeakPolarHBondContact CA-O 3.41Å; V16-P261 HydrophobicContact CG1-CG 4.49Å; V16-L273 HydrophobicContact CB-CD1 4.09Å; V16-L273 HydrophobicContact CG1-CD1 4.11Å; V16-V275 HydrophobicContact CG2-CG2 3.79Å; V16-F276 HydrophobicContact CG2-CE2 4.07Å; V16-F276 HydrophobicContact CG2-CZ 3.85Å
17G98.8Very high94.7Very high0 Ų042 Ų420%025%0.25CS..  trans-120.5167.2171.400000112.4H42 C259 I260 P261G17-H42 CarbonylContact C-O 3.24Å; G17-H42 WeakPolarHBondContact CA-O 3.34Å; G17-C259 PolarHBondContact N-O 3Å; G17-I260 WeakPolarHBondContact O-CA 3.37Å; G17-P261 WeakPolarHBondContact O-CD 3.46Å
18L98.8Very high94.6Very high3 Ų341.6 Ų41.62%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-91.6119.2173.5179.170.5000109.7A31 V32 A35 Y40 H42 I43 D44 I269L18-A31 HydrophobicContact CD2-CB 4.44Å; L18-V32 HydrophobicContact CD2-CG2 4.02Å; L18-A35 HydrophobicContact CB-CB 4.25Å; L18-A35 HydrophobicContact CD2-CB 3.75Å; L18-A35 HydrophobicContact CG-CB 4.41Å; L18-Y40 HydrophobicContact CB-CD1 4.14Å; L18-Y40 HydrophobicContact CB-CE1 4.27Å; L18-H42 PolarHBondContact N-O 3.34Å; L18-I43 HydrophobicContact CB-CD1 4.04Å; L18-I43 HydrophobicContact CD2-CD1 4.43Å; L18-D44 PolarHBondContact O-N 3.34Å; L18-I269 HydrophobicContact CD1-CG1 4.28Å
19G98.4Very high94.5Very high5 Ų541.2 Ų41.25%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-76.2139.2167.700000111.7P261 K262G19-P261 PolarHBondContact N-O 2.9Å; G19-K262 WeakPolarHBondContact O-CA 3.34Å; G19-K262 WeakPolarHBondContact O-CB 3.32Å; G19-K262 WeakPolarHBondContact O-CG 3.2Å
20T97.8Very high94.6Very high0 Ų044.2 Ų44.20%025%0.245CC..  trans-112.2-1.1-176.760.20000114.7S23 V28 V32 I43 D44 Y49 N51 V55T20-S23 PolarHBondContact O-N 3.33Å; T20-S23 PolarHBondContact O-OG 2.78Å; T20-V28 HydrophobicContact CG2-CG2 4.06Å; T20-V32 HydrophobicContact CG2-CG2 4.43Å; T20-I43 HydrophobicContact CG2-CG2 4.03Å; T20-D44 WeakPolarHBondContact CB-O 3.12Å; T20-D44 WeakPolarHBondContact CG2-O 3.35Å; T20-D44 PolarHBondContact N-O 2.94Å; T20-D44 PolarHBondContact OG1-O 3.5Å; T20-Y49 WeakPolarHBondContact OG1-CD2 3.46Å; T20-N51 PolarHBondContact O-ND2 2.76Å; T20-V55 HydrophobicContact CG2-CG2 4.08Å
21W93.6Very high94.6Very high78 Ų7841.7 Ų41.730%0.29522%0.22SC..THydrogen-bonded Turntrans-60.5136.9178.2-178.147.7000112.3S23 Y49 W219 K262 I298W21-S23 PolarHBondContact O-N 3.08Å; W21-Y49 HydrophobicContact CB-CD1 4.16Å; W21-Y49 HydrophobicContact CB-CD2 4.17Å; W21-Y49 HydrophobicContact CB-CE1 3.92Å; W21-Y49 HydrophobicContact CB-CE2 3.91Å; W21-Y49 HydrophobicContact CB-CG 4.3Å; W21-Y49 AromaticContact CD1-CD1 3.5Å; W21-Y49 AromaticContact CD1-CE1 3.68Å; W21-Y49 HydrophobicContact CG-CD1 4.12Å; W21-Y49 AromaticContact CG-CE1 3.95Å; W21-Y49 HydrophobicContact CG-CE1 3.95Å; W21-W219 HydrophobicContact CH2-CH2 4.4Å; W21-K262 WeakPolarHBondContact O-CD 3.47Å; W21-K262 WeakPolarHBondContact O-CE 3.4Å; W21-K262 WeakPolarHBondContact O-CG 3.34Å; W21-I298 HydrophobicContact CZ3-CD1 4.4Å
22K89.1Confident94.6Very high69 Ų6940.3 Ų40.330%0.321%0.213SC..THydrogen-bonded Turntrans59.917.3-178.2-52.5174.767.1-146.90115.3A24 D216 K262K22-A24 PolarHBondContact O-N 3.25Å; K22-D216 VanDerWaalsContact NZ-C 3.31Å; K22-D216 PolarHBondContact NZ-O 3.33Å; K22-D216 IonicContact NZ-OD1 2.73Å; K22-D216 IonicContact NZ-OD2 2.81Å; K22-D216 PolarHBondContact NZ-OD2 3.21Å; K22-K262 PolarHBondContact O-NZ 3.43Å
23S82.8Confident94.6Very high7 Ų733.3 Ų33.35%0.04919%0.188CC..PPolyproline II helixtrans-74.3116.4165.5-63.80000107.4T20 W21 N51 K262 V264T20-S23 PolarHBondContact O-N 3.33Å; T20-S23 PolarHBondContact O-OG 2.78Å; W21-S23 PolarHBondContact O-N 3.08Å; S23-N51 PolarHBondContact O-ND2 3.16Å; S23-K262 WeakPolarHBondContact OG-CE 3.39Å; S23-V264 WeakPolarHBondContact OG-CG1 3.5Å
24A84.1Confident94.6Very high43 Ų4334.5 Ų34.536%0.35520%0.198SC..PPolyproline II helixtrans-63.2155.8-176.600000110.9K22 G26 Q27K22-A24 PolarHBondContact O-N 3.25Å; A24-G26 PolarHBondContact O-N 2.82Å; A24-Q27 HydrophobicContact CB-CG 4.34Å; A24-Q27 WeakPolarHBondContact O-CB 3.21Å; A24-Q27 PolarHBondContact O-N 2.84Å
25P82.3Confident94.6Very high114 Ų11433.4 Ų33.474%0.7419%0.19SC*.THydrogen-bonded Turntrans-51.3136.5172.9-26.835.2000111.8Q27 E54P25-Q27 VanDerWaalsContact C-N 3.27Å; P25-Q27 PolarHBondContact O-N 3.49Å; P25-E54 WeakPolarHBondContact CA-OE1 3.42Å
26G86.8Confident94.6Very high55 Ų5533 Ų3357%0.56719%0.188SC*.THydrogen-bonded Turntrans81.8-12.1-176.400000115.5A24 E54A24-G26 PolarHBondContact O-N 2.82Å; G26-E54 VanDerWaalsContact CA-OE2 3.3Å; G26-E54 WeakPolarHBondContact CA-OE2 3.48Å; G26-E54 VanDerWaalsContact N-CD 3.29Å; G26-E54 PolarHBondContact N-OE1 3.13Å; G26-E54 PolarHBondContact N-OE2 3.32Å
27Q93.6Very high94.5Very high94 Ų9437.4 Ų37.444%0.43921%0.212SC..THydrogen-bonded Turntrans-98.1-34.4178.6-61.7-173.9-27.300113A24 P25 K29 Q30 A31 V264A24-Q27 HydrophobicContact CB-CG 4.34Å; A24-Q27 WeakPolarHBondContact O-CB 3.21Å; A24-Q27 PolarHBondContact O-N 2.84Å; P25-Q27 VanDerWaalsContact C-N 3.27Å; P25-Q27 PolarHBondContact O-N 3.49Å; Q27-K29 VanDerWaalsContact C-N 3.35Å; Q27-K29 PolarHBondContact O-N 3.12Å; Q27-Q30 PolarHBondContact O-N 2.84Å; Q27-A31 PolarHBondContact O-N 2.84Å; Q27-V264 HydrophobicContact CB-CB 4.42Å; Q27-V264 HydrophobicContact CB-CG1 4.09Å
28V96.2Very high94.4Very high0 Ų038.4 Ų38.40%022%0.222CC..Hα-helixtrans-66.5-36.9-171.166.40000112.1T20 Q30 A31 V32 N51 E54 V55T20-V28 HydrophobicContact CG2-CG2 4.06Å; V28-Q30 PolarHBondContact O-N 2.68Å; V28-A31 WeakPolarHBondContact O-CB 3.44Å; V28-A31 PolarHBondContact O-N 3.3Å; V28-V32 HydrophobicContact CG2-CG2 4.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 3.33Å; V28-N51 HydrophobicContact CG1-CB 3.92Å; V28-E54 HydrophobicContact CG1-CB 3.31Å; V28-E54 HydrophobicContact CG1-CG 4.16Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.45Å; V28-V55 HydrophobicContact CG2-CG2 3.77Å
29K97.4Very high94.4Very high62 Ų6240 Ų4027%0.2724%0.238SC..Hα-helixtrans-56.3-49.1175.4-179.7173.3-175.7167.20111.5Q27 V32 L33 E54 D57 A58Q27-K29 VanDerWaalsContact C-N 3.35Å; Q27-K29 PolarHBondContact O-N 3.12Å; K29-V32 PolarHBondContact O-N 3.33Å; K29-L33 HydrophobicContact CG-CD1 4.37Å; K29-L33 WeakPolarHBondContact O-CG 3.4Å; K29-L33 PolarHBondContact O-N 3.29Å; K29-E54 HydrophobicContact CB-CB 4.42Å; K29-D57 HydrophobicContact CD-CB 4.06Å; K29-D57 IonicContact NZ-OD2 3.46Å; K29-A58 HydrophobicContact CG-CB 4.04Å
30Q97.6Very high94.4Very high119 Ų11939.8 Ų39.856%0.55624%0.236SC*.Hα-helixtrans-67.3-37.3179.6-63.9-57.6-26.600112.2Q27 V28 L33 A34Q27-Q30 PolarHBondContact O-N 2.84Å; V28-Q30 PolarHBondContact O-N 2.68Å; Q30-L33 PolarHBondContact O-N 3.07Å; Q30-A34 VanDerWaalsContact O-CB 3.32Å; Q30-A34 WeakPolarHBondContact O-CB 3.38Å; Q30-A34 PolarHBondContact O-N 2.91Å
31A98.3Very high94.5Very high1 Ų143.5 Ų43.51%0.00825%0.25CS..Hα-helixtrans-61.9-44.4174.900000111.9L18 Q27 V28 A34 A35 V264 I269L18-A31 HydrophobicContact CD2-CB 4.44Å; Q27-A31 PolarHBondContact O-N 2.84Å; V28-A31 WeakPolarHBondContact O-CB 3.44Å; V28-A31 PolarHBondContact O-N 3.3Å; A31-A34 PolarHBondContact O-N 3.49Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 2.77Å; A31-V264 HydrophobicContact CB-CB 4.36Å; A31-V264 HydrophobicContact CB-CG1 4.16Å; A31-I269 HydrophobicContact CB-CD1 4.04Å
32V98.4Very high94.7Very high0 Ų039.8 Ų39.80%024%0.236CC..Hα-helixtrans-65.7-43.4177.5174.40000111L18 T20 V28 K29 A35 L36 I43 V55 A58L18-V32 HydrophobicContact CD2-CG2 4.02Å; T20-V32 HydrophobicContact CG2-CG2 4.43Å; V28-V32 HydrophobicContact CG2-CG2 4.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 3.33Å; K29-V32 PolarHBondContact O-N 3.33Å; V32-A35 PolarHBondContact O-N 3.2Å; V32-L36 HydrophobicContact CG1-CD1 3.92Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CG 3.25Å; V32-L36 PolarHBondContact O-N 3.22Å; V32-I43 HydrophobicContact CG1-CD1 4.26Å; V32-I43 HydrophobicContact CG2-CG2 4.48Å; V32-V55 HydrophobicContact CG2-CG1 4.18Å; V32-V55 HydrophobicContact CG2-CG2 4.13Å; V32-A58 HydrophobicContact CB-CB 3.7Å; V32-A58 HydrophobicContact CG1-CB 3.56Å
33L98.2Very high95.2Very high13 Ų1336.5 Ų36.57%0.06822%0.222CC..Hα-helixtrans-59.1-50.1174.7-70.2174.8000111.4K29 Q30 A35 L36 D37 A58 L61 R62K29-L33 HydrophobicContact CG-CD1 4.37Å; K29-L33 WeakPolarHBondContact O-CG 3.4Å; K29-L33 PolarHBondContact O-N 3.29Å; Q30-L33 PolarHBondContact O-N 3.07Å; L33-A35 VanDerWaalsContact C-N 3.26Å; L33-A35 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 3.2Å; L33-D37 VanDerWaalsContact O-CB 3.29Å; L33-D37 WeakPolarHBondContact O-CB 3.45Å; L33-D37 VanDerWaalsContact O-CG 3.24Å; L33-D37 PolarHBondContact O-N 3.29Å; L33-A58 HydrophobicContact CD2-CB 4.14Å; L33-A58 HydrophobicContact CG-CB 4.04Å; L33-L61 HydrophobicContact CD1-CD1 4.21Å; L33-L61 HydrophobicContact CD2-CB 4.16Å; L33-L61 HydrophobicContact CD2-CD1 4.26Å; L33-R62 HydrophobicContact CD2-CG 3.7Å
34A98.1Very high95.9Very high25 Ų2536.2 Ų36.221%0.20722%0.22CC..Hα-helixtrans-59.3-37.1177.900000112.4Q30 A31 G38 A266 I269 Q270Q30-A34 VanDerWaalsContact O-CB 3.32Å; Q30-A34 WeakPolarHBondContact O-CB 3.38Å; Q30-A34 PolarHBondContact O-N 2.91Å; A31-A34 PolarHBondContact O-N 3.49Å; A34-G38 PolarHBondContact O-N 3.42Å; A34-A266 HydrophobicContact CB-CB 4.37Å; A34-I269 HydrophobicContact CB-CD1 4.25Å; A34-Q270 PolarHBondContact O-NE2 3.36Å
35A98.6Very high96.6Very high0 Ų034.2 Ų34.20%020%0.203CC..Hα-helixtrans-67.5-51.4175.800000111.8L18 A31 V32 L33 D37 G38 G39 Y40 I269L18-A35 HydrophobicContact CB-CB 4.25Å; L18-A35 HydrophobicContact CD2-CB 3.75Å; L18-A35 HydrophobicContact CG-CB 4.41Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 2.77Å; V32-A35 PolarHBondContact O-N 3.2Å; L33-A35 VanDerWaalsContact C-N 3.26Å; L33-A35 PolarHBondContact O-N 2.97Å; A35-D37 PolarHBondContact O-N 3.15Å; A35-G38 CarbonylContact O-C 3.59Å; A35-G38 WeakPolarHBondContact O-CA 3.33Å; A35-G38 PolarHBondContact O-N 3.04Å; A35-G38 VanDerWaalsContact O-N 3.08Å; A35-G39 PolarHBondContact O-N 3.01Å; A35-Y40 HydrophobicContact CB-CD1 4.43Å; A35-Y40 HydrophobicContact CB-CD2 3.72Å; A35-Y40 HydrophobicContact CB-CE2 4.38Å; A35-Y40 HydrophobicContact CB-CG 3.76Å; A35-Y40 VanDerWaalsContact O-CB 3.28Å; A35-Y40 WeakPolarHBondContact O-CB 3.47Å; A35-Y40 WeakPolarHBondContact O-CD2 3.2Å; A35-Y40 PolarHBondContact O-N 3.27Å; A35-I269 HydrophobicContact CB-CG2 3.78Å
36L98.6Very high97.4Very high3 Ų328.8 Ų28.82%0.01617%0.168CC..Hα-helixtrans-61.2-45.6-179.1-68.1174.6000111.8V32 L33 G38 G39 R41 I43 L59 R62 V63 L69 V74V32-L36 HydrophobicContact CG1-CD1 3.92Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CG 3.25Å; V32-L36 PolarHBondContact O-N 3.22Å; L33-L36 PolarHBondContact O-N 3.2Å; L36-G38 PolarHBondContact O-N 2.87Å; L36-G39 PolarHBondContact O-N 3.48Å; L36-G39 VanDerWaalsContact O-N 3.09Å; L36-R41 PolarHBondContact O-NH1 2.87Å; L36-I43 HydrophobicContact CD2-CD1 4.29Å; L36-L59 HydrophobicContact CD1-CD2 4.23Å; L36-R62 HydrophobicContact CD1-CB 3.9Å; L36-R62 HydrophobicContact CD1-CG 4.25Å; L36-V63 HydrophobicContact CD1-CG2 4.23Å; L36-L69 HydrophobicContact CB-CD1 4.15Å; L36-L69 HydrophobicContact CD2-CD1 3.99Å; L36-L69 HydrophobicContact CG-CD1 4.5Å; L36-V74 HydrophobicContact CD2-CG1 4.19Å; L36-V74 HydrophobicContact CD2-CG2 4.28Å
37D97.8Very high97.9Very high95 Ų9528.1 Ų28.151%0.50816%0.157SC..Hα-helixtrans-65.3-28.6176.5-66.2-14.3000111L33 A35 G39 R62L33-D37 VanDerWaalsContact O-CB 3.29Å; L33-D37 WeakPolarHBondContact O-CB 3.45Å; L33-D37 VanDerWaalsContact O-CG 3.24Å; L33-D37 PolarHBondContact O-N 3.29Å; A35-D37 PolarHBondContact O-N 3.15Å; D37-G39 VanDerWaalsContact C-N 3.32Å; D37-G39 PolarHBondContact O-N 2.87Å; D37-R62 WeakPolarHBondContact OD1-CD 3.48Å; D37-R62 IonicContact OD1-CZ 3.64Å; D37-R62 IonicContact OD1-NE 3.72Å; D37-R62 PolarHBondContact OD1-NE 3.02Å; D37-R62 IonicContact OD1-NH2 3.5Å; D37-R62 IonicContact OD2-CZ 3.2Å; D37-R62 IonicContact OD2-NE 3.27Å; D37-R62 PolarHBondContact OD2-NE 3.31Å; D37-R62 IonicContact OD2-NH2 3.88Å; D37-R62 PolarHBondContact OD2-NH2 3.3Å
38G96.7Very high98.1Very high20 Ų2025.1 Ų25.121%0.20615%0.145CC..THydrogen-bonded Turntrans-78.4-3.9172.900000116.4A34 A35 L36 Q270 L273A34-G38 PolarHBondContact O-N 3.42Å; A35-G38 CarbonylContact O-C 3.59Å; A35-G38 WeakPolarHBondContact O-CA 3.33Å; A35-G38 PolarHBondContact O-N 3.04Å; A35-G38 VanDerWaalsContact O-N 3.08Å; L36-G38 PolarHBondContact O-N 2.87Å; G38-Q270 VanDerWaalsContact CA-NE2 3.29Å; G38-Q270 VanDerWaalsContact CA-OE1 3.22Å; G38-L273 VanDerWaalsContact O-CD2 3.24Å; G38-L273 WeakPolarHBondContact O-CD2 3.37Å
39G98Very high98.1Very high36 Ų3627.2 Ų27.237%0.37115%0.153SC..THydrogen-bonded Turntrans98.74-179.600000115.4A35 L36 D37A35-G39 PolarHBondContact O-N 3.01Å; L36-G39 PolarHBondContact O-N 3.48Å; L36-G39 VanDerWaalsContact O-N 3.09Å; D37-G39 VanDerWaalsContact C-N 3.32Å; D37-G39 PolarHBondContact O-N 2.87Å
40Y98.7Very high98.1Very high1 Ų127.7 Ų27.70%0.00418%0.176CC..  trans-62.1140.5169.3-79.6-107.5000110.5V16 L18 A35 I269 N272 L273V16-Y40 HydrophobicContact CG1-CE1 3.73Å; L18-Y40 HydrophobicContact CB-CD1 4.14Å; L18-Y40 HydrophobicContact CB-CE1 4.27Å; A35-Y40 HydrophobicContact CB-CD1 4.43Å; A35-Y40 HydrophobicContact CB-CD2 3.72Å; A35-Y40 HydrophobicContact CB-CE2 4.38Å; A35-Y40 HydrophobicContact CB-CG 3.76Å; A35-Y40 VanDerWaalsContact O-CB 3.28Å; A35-Y40 WeakPolarHBondContact O-CB 3.47Å; A35-Y40 WeakPolarHBondContact O-CD2 3.2Å; A35-Y40 PolarHBondContact O-N 3.27Å; Y40-I269 HydrophobicContact CD2-CG2 4.16Å; Y40-I269 HydrophobicContact CE2-CG2 3.62Å; Y40-I269 VanDerWaalsContact CE2-O 3.32Å; Y40-I269 WeakPolarHBondContact CE2-O 3.44Å; Y40-I269 PolarHBondContact OH-O 3.25Å; Y40-I269 VanDerWaalsContact OH-O 3.05Å; Y40-N272 WeakPolarHBondContact OH-CB 3.39Å; Y40-L273 HydrophobicContact CD1-CD1 4.47Å; Y40-L273 HydrophobicContact CD2-CB 4.34Å; Y40-L273 HydrophobicContact CD2-CD1 4.25Å; Y40-L273 HydrophobicContact CD2-CD2 3.77Å; Y40-L273 HydrophobicContact CD2-CG 4.34Å; Y40-L273 HydrophobicContact CE1-CD1 4.34Å; Y40-L273 HydrophobicContact CE2-CB 3.63Å; Y40-L273 HydrophobicContact CE2-CD1 4.11Å; Y40-L273 HydrophobicContact CE2-CD2 3.93Å; Y40-L273 HydrophobicContact CE2-CG 4.09Å; Y40-L273 HydrophobicContact CG-CD1 4.41Å; Y40-L273 HydrophobicContact CG-CD2 4.47Å
41R98.7Very high98.1Very high78 Ų7822.3 Ų22.329%0.29415%0.151SC..  trans-13017.8175.2-64.5-60.6177.5-92.2-2.5112P14 L36 E73 F75P14-R41 HydrophobicContact CG-CB 4.04Å; L36-R41 PolarHBondContact O-NH1 2.87Å; R41-E73 WeakPolarHBondContact CB-O 3.4Å; R41-E73 WeakPolarHBondContact CD-O 3.46Å; R41-F75 WeakPolarHBondContact O-CB 3.49Å; R41-F75 PolarHBondContact O-N 3.44Å
42H98.9Very high98.1Very high0 Ų022.6 Ų22.60%015%0.152CC..EExtended strand (participates in β ladder)trans-142.2123.3178.7175.3-165000109.7M13 P14 G17 L18 F75 T77M13-H42 WeakPolarHBondContact CE-CE1 3.18Å; P14-H42 HydrophobicContact CB-CB 3.8Å; P14-H42 HydrophobicContact CG-CB 3.84Å; P14-H42 PolarHBondContact O-ND1 2.94Å; G17-H42 CarbonylContact C-O 3.24Å; G17-H42 WeakPolarHBondContact CA-O 3.34Å; L18-H42 PolarHBondContact N-O 3.34Å; H42-F75 CarbonylContact C-O 3.47Å; H42-F75 VanDerWaalsContact CA-O 3.25Å; H42-F75 WeakPolarHBondContact CA-O 3.31Å; H42-F75 HydrophobicContact CB-CB 4.29Å; H42-F75 AromaticContact CD2-CD1 3.78Å; H42-T77 PolarHBondContact NE2-OG1 3.44Å
43I98.9Very high98.1Very high0 Ų027 Ų270%017%0.173CC..EExtended strand (participates in β ladder)trans-121.7126.3177.2-49.4-62.8000109L18 T20 V32 L36 V55 V74 F75 T77L18-I43 HydrophobicContact CB-CD1 4.04Å; L18-I43 HydrophobicContact CD2-CD1 4.43Å; T20-I43 HydrophobicContact CG2-CG2 4.03Å; V32-I43 HydrophobicContact CG1-CD1 4.26Å; V32-I43 HydrophobicContact CG2-CG2 4.48Å; L36-I43 HydrophobicContact CD2-CD1 4.29Å; I43-V55 HydrophobicContact CG2-CG1 4.07Å; I43-V74 HydrophobicContact CG1-CG1 4.47Å; I43-F75 PolarHBondContact N-O 3.33Å; I43-T77 PolarHBondContact O-N 2.93Å
44D98.9Very high98.1Very high2 Ų228.4 Ų28.41%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-102.2120.3175.5177.9-90.3000111L18 T20 K79 Q183 I260L18-D44 PolarHBondContact O-N 3.34Å; T20-D44 WeakPolarHBondContact CB-O 3.12Å; T20-D44 WeakPolarHBondContact CG2-O 3.35Å; T20-D44 PolarHBondContact N-O 2.94Å; T20-D44 PolarHBondContact OG1-O 3.5Å; D44-K79 IonicContact OD1-NZ 3.89Å; D44-K79 PolarHBondContact OD1-NZ 2.92Å; D44-K79 IonicContact OD2-NZ 3.09Å; D44-K79 PolarHBondContact OD2-NZ 2.91Å; D44-Q183 PolarHBondContact OD2-NE2 3.09Å; D44-I260 HydrophobicContact CB-CB 4.18Å; D44-I260 HydrophobicContact CB-CD1 3.85Å; D44-I260 HydrophobicContact CB-CG2 3.93Å; D44-I260 VanDerWaalsContact CG-CD1 3.4Å
45C98.8Very high98.1Very high0 Ų027.2 Ų27.20%017%0.169CC..  trans-121.1173.1-179.1-58.70000110.8E52 T77 K79C45-E52 HydrophobicContact CB-CG 4.37Å; C45-T77 WeakPolarHBondContact CA-O 3.41Å; C45-T77 VanDerWaalsContact CB-O 3.26Å; C45-T77 WeakPolarHBondContact CB-O 3.46Å; C45-T77 PolarHBondContact N-O 3.35Å; C45-K79 WeakPolarHBondContact O-CG 3.41Å; C45-K79 PolarHBondContact O-NZ 3.45Å
46A98.6Very high98.1Very high0 Ų027.4 Ų27.40%017%0.171CC..  trans-161.6145.5162.300000108.6V48 Y49 K79A46-V48 HydrophobicContact CB-CG1 4.16Å; A46-V48 PolarHBondContact O-N 3.05Å; A46-Y49 HydrophobicContact CB-CD1 3.81Å; A46-Y49 HydrophobicContact CB-CD2 3.84Å; A46-Y49 HydrophobicContact CB-CE1 3.62Å; A46-Y49 HydrophobicContact CB-CE2 3.66Å; A46-Y49 HydrophobicContact CB-CG 3.9Å; A46-Y49 WeakPolarHBondContact O-CB 3.37Å; A46-Y49 PolarHBondContact O-N 3.32Å; A46-K79 HydrophobicContact CB-CB 3.85Å; A46-K79 HydrophobicContact CB-CD 4.01Å; A46-K79 HydrophobicContact CB-CG 3.85Å
47A97.7Very high98.1Very high41 Ų4130.3 Ų30.334%0.33919%0.187SC..G310 helixtrans-54.1-40.5176.600000112.6Y49 G50 E52A47-Y49 PolarHBondContact O-N 3.07Å; A47-Y49 VanDerWaalsContact O-N 3.15Å; A47-G50 PolarHBondContact O-N 3.07Å; A47-G50 VanDerWaalsContact O-N 3.1Å; A47-E52 WeakPolarHBondContact CA-OE2 3.48Å
48V97.3Very high98.2Very high32 Ų3225.8 Ų25.819%0.19416%0.163CC..G310 helixtrans-65-17.9-179.1760000113.8A46 G50 W81 H112 L123A46-V48 HydrophobicContact CB-CG1 4.16Å; A46-V48 PolarHBondContact O-N 3.05Å; V48-G50 PolarHBondContact O-N 2.86Å; V48-W81 HydrophobicContact CB-CB 4.41Å; V48-W81 HydrophobicContact CB-CD2 3.6Å; V48-W81 HydrophobicContact CB-CE3 3.59Å; V48-W81 HydrophobicContact CB-CG 3.96Å; V48-W81 HydrophobicContact CB-CZ3 4.11Å; V48-W81 HydrophobicContact CG1-CD2 4.18Å; V48-W81 HydrophobicContact CG1-CE3 3.62Å; V48-W81 HydrophobicContact CG1-CZ3 3.82Å; V48-W81 HydrophobicContact CG2-CD2 3.47Å; V48-W81 VanDerWaalsContact CG2-CD2 3.47Å; V48-W81 VanDerWaalsContact CG2-CE2 3.45Å; V48-W81 HydrophobicContact CG2-CE3 3.7Å; V48-W81 HydrophobicContact CG2-CG 4.05Å; V48-W81 HydrophobicContact CG2-CH2 3.88Å; V48-W81 HydrophobicContact CG2-CZ2 3.68Å; V48-W81 HydrophobicContact CG2-CZ3 3.89Å; V48-H112 VanDerWaalsContact CG1-CE1 3.44Å; V48-H112 WeakPolarHBondContact CG1-CE1 3.3Å; V48-L123 HydrophobicContact CG2-CD1 4.16Å; V48-L123 HydrophobicContact CG2-CD2 4.4Å
49Y96.9Very high98.3Very high43 Ų4325 Ų2517%0.16915%0.154CC..G310 helixtrans-71.8-15.7177.2-57.7-13.4000112T20 W21 A46 A47 N51 K79 H112T20-Y49 WeakPolarHBondContact OG1-CD2 3.46Å; W21-Y49 HydrophobicContact CB-CD1 4.16Å; W21-Y49 HydrophobicContact CB-CD2 4.17Å; W21-Y49 HydrophobicContact CB-CE1 3.92Å; W21-Y49 HydrophobicContact CB-CE2 3.91Å; W21-Y49 HydrophobicContact CB-CG 4.3Å; W21-Y49 AromaticContact CD1-CD1 3.5Å; W21-Y49 AromaticContact CD1-CE1 3.68Å; W21-Y49 HydrophobicContact CG-CD1 4.12Å; W21-Y49 AromaticContact CG-CE1 3.95Å; W21-Y49 HydrophobicContact CG-CE1 3.95Å; A46-Y49 HydrophobicContact CB-CD1 3.81Å; A46-Y49 HydrophobicContact CB-CD2 3.84Å; A46-Y49 HydrophobicContact CB-CE1 3.62Å; A46-Y49 HydrophobicContact CB-CE2 3.66Å; A46-Y49 HydrophobicContact CB-CG 3.9Å; A46-Y49 WeakPolarHBondContact O-CB 3.37Å; A46-Y49 PolarHBondContact O-N 3.32Å; A47-Y49 PolarHBondContact O-N 3.07Å; A47-Y49 VanDerWaalsContact O-N 3.15Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.41Å; Y49-N51 PolarHBondContact O-N 3.06Å; Y49-K79 PolarHBondContact OH-NZ 3.39Å; Y49-K79 VanDerWaalsContact OH-NZ 3.12Å; Y49-H112 AromaticContact CE1-CE1 3.78Å
50G96.3Very high98.3Very high72 Ų7226.3 Ų26.374%0.74216%0.16SC*.SBendtrans6917.7175.400000114.2A47 V48A47-G50 PolarHBondContact O-N 3.07Å; A47-G50 VanDerWaalsContact O-N 3.1Å; V48-G50 PolarHBondContact O-N 2.86Å
51N97.8Very high98.3Very high7 Ų730 Ų304%0.03718%0.18CC..  trans-133.111.6-172.8648.9000114.5T20 S23 V28 Y49 Q53 E54 V55T20-N51 PolarHBondContact O-ND2 2.76Å; S23-N51 PolarHBondContact O-ND2 3.16Å; V28-N51 HydrophobicContact CG1-CB 3.92Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.41Å; Y49-N51 PolarHBondContact O-N 3.06Å; N51-Q53 VanDerWaalsContact C-N 3.25Å; N51-Q53 PolarHBondContact O-N 3.06Å; N51-E54 PolarHBondContact O-N 3.01Å; N51-V55 WeakPolarHBondContact O-CG2 3.33Å; N51-V55 PolarHBondContact O-N 3.5Å
52E98.5Very high98.2Very high6 Ų629.5 Ų29.53%0.02818%0.178CC..Hα-helixtrans-59.4-34.8179.3-68.4-165127.800112.8C45 A47 E54 V55 G56 S78 S97 H100 L101C45-E52 HydrophobicContact CB-CG 4.37Å; A47-E52 WeakPolarHBondContact CA-OE2 3.48Å; E52-E54 PolarHBondContact O-N 3.15Å; E52-V55 WeakPolarHBondContact O-CB 3.27Å; E52-V55 PolarHBondContact O-N 2.68Å; E52-G56 PolarHBondContact O-N 3.35Å; E52-S78 WeakPolarHBondContact OE1-CB 3.2Å; E52-S78 PolarHBondContact OE1-OG 3.2Å; E52-S97 PolarHBondContact OE1-OG 2.94Å; E52-S97 WeakPolarHBondContact OE2-CA 3.24Å; E52-S97 VanDerWaalsContact OE2-CB 3.26Å; E52-S97 WeakPolarHBondContact OE2-CB 3.32Å; E52-S97 PolarHBondContact OE2-OG 3.07Å; E52-H100 HydrophobicContact CB-CB 3.82Å; E52-L101 HydrophobicContact CB-CD2 4.07Å; E52-L101 HydrophobicContact CB-CG 4.16Å; E52-L101 HydrophobicContact CG-CD2 4.45Å; E52-L101 WeakPolarHBondContact O-CD2 3.41Å
53Q98.5Very high98.2Very high93 Ų9330.2 Ų30.244%0.43518%0.183SC..Hα-helixtrans-61.6-45.2178.4-173.96061.400112.1N51 V55 G56 D57 H100N51-Q53 VanDerWaalsContact C-N 3.25Å; N51-Q53 PolarHBondContact O-N 3.06Å; Q53-V55 VanDerWaalsContact C-N 3.31Å; Q53-V55 PolarHBondContact O-N 3.43Å; Q53-G56 WeakPolarHBondContact O-CA 3.48Å; Q53-G56 PolarHBondContact O-N 2.86Å; Q53-G56 VanDerWaalsContact O-N 3.14Å; Q53-D57 PolarHBondContact NE2-OD1 3.22Å; Q53-D57 PolarHBondContact O-N 3.47Å; Q53-H100 WeakPolarHBondContact CA-O 3.44Å; Q53-H100 HydrophobicContact CB-CB 4.48Å; Q53-H100 PolarHBondContact NE2-O 3.37Å
54E98.3Very high98.1Very high43 Ų4331 Ų3120%0.20119%0.191CC..Hα-helixtrans-69.4-29.9178.2-73.9-173.5-132.400112.7P25 G26 V28 K29 N51 E52 A58P25-E54 WeakPolarHBondContact CA-OE1 3.42Å; G26-E54 VanDerWaalsContact CA-OE2 3.3Å; G26-E54 WeakPolarHBondContact CA-OE2 3.48Å; G26-E54 VanDerWaalsContact N-CD 3.29Å; G26-E54 PolarHBondContact N-OE1 3.13Å; G26-E54 PolarHBondContact N-OE2 3.32Å; V28-E54 HydrophobicContact CG1-CB 3.31Å; V28-E54 HydrophobicContact CG1-CG 4.16Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.45Å; K29-E54 HydrophobicContact CB-CB 4.42Å; N51-E54 PolarHBondContact O-N 3.01Å; E52-E54 PolarHBondContact O-N 3.15Å; E54-A58 PolarHBondContact O-N 2.97Å
55V98.6Very high97.9Very high0 Ų037.3 Ų37.30%023%0.232CC..Hα-helixtrans-65.1-45.4169.2177.20000109.8T20 V28 V32 I43 N51 E52 Q53 D57 A58 L59 L101T20-V55 HydrophobicContact CG2-CG2 4.08Å; V28-V55 HydrophobicContact CG2-CG2 3.77Å; V32-V55 HydrophobicContact CG2-CG1 4.18Å; V32-V55 HydrophobicContact CG2-CG2 4.13Å; I43-V55 HydrophobicContact CG2-CG1 4.07Å; N51-V55 WeakPolarHBondContact O-CG2 3.33Å; N51-V55 PolarHBondContact O-N 3.5Å; E52-V55 WeakPolarHBondContact O-CB 3.27Å; E52-V55 PolarHBondContact O-N 2.68Å; Q53-V55 VanDerWaalsContact C-N 3.31Å; Q53-V55 PolarHBondContact O-N 3.43Å; V55-D57 VanDerWaalsContact C-N 3.32Å; V55-D57 PolarHBondContact O-N 2.9Å; V55-A58 WeakPolarHBondContact O-CB 3.43Å; V55-A58 PolarHBondContact O-N 3.32Å; V55-A58 VanDerWaalsContact O-N 3.09Å; V55-L59 HydrophobicContact CG1-CD1 4.08Å; V55-L59 HydrophobicContact CG1-CG 4.32Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.28Å; V55-L101 HydrophobicContact CB-CD2 3.92Å; V55-L101 HydrophobicContact CG1-CD2 3.79Å
56G98.6Very high97.7Very high4 Ų441.7 Ų41.74%0.04128%0.276CS..Hα-helixtrans-57.1-43.6175.400000112.8E52 Q53 A58 L59 A60 L101E52-G56 PolarHBondContact O-N 3.35Å; Q53-G56 WeakPolarHBondContact O-CA 3.48Å; Q53-G56 PolarHBondContact O-N 2.86Å; Q53-G56 VanDerWaalsContact O-N 3.14Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.9Å; G56-L59 PolarHBondContact O-N 3.23Å; G56-L59 VanDerWaalsContact O-N 3.16Å; G56-A60 WeakPolarHBondContact O-CB 3.39Å; G56-A60 PolarHBondContact O-N 3.12Å; G56-L101 VanDerWaalsContact CA-O 3.24Å; G56-L101 WeakPolarHBondContact CA-O 3.33Å
57D98.5Very high97.7Very high64 Ų6446.7 Ų46.734%0.34230%0.298SS..Hα-helixtrans-60-36.5174.9-70.92.1000112.8K29 Q53 V55 L61K29-D57 HydrophobicContact CD-CB 4.06Å; K29-D57 IonicContact NZ-OD2 3.46Å; Q53-D57 PolarHBondContact NE2-OD1 3.22Å; Q53-D57 PolarHBondContact O-N 3.47Å; V55-D57 VanDerWaalsContact C-N 3.32Å; V55-D57 PolarHBondContact O-N 2.9Å; D57-L61 WeakPolarHBondContact O-CG 2.99Å
58A98.3Very high97.6Very high0 Ų048.7 Ų48.70%031%0.314CS..Hα-helixtrans-71-42.7174.500000111.7K29 V32 L33 E54 V55 G56 A60 L61K29-A58 HydrophobicContact CG-CB 4.04Å; V32-A58 HydrophobicContact CB-CB 3.7Å; V32-A58 HydrophobicContact CG1-CB 3.56Å; L33-A58 HydrophobicContact CD2-CB 4.14Å; L33-A58 HydrophobicContact CG-CB 4.04Å; E54-A58 PolarHBondContact O-N 2.97Å; V55-A58 WeakPolarHBondContact O-CB 3.43Å; V55-A58 PolarHBondContact O-N 3.32Å; V55-A58 VanDerWaalsContact O-N 3.09Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.9Å; A58-A60 PolarHBondContact O-N 2.99Å; A58-L61 PolarHBondContact O-N 3.11Å
59L98.7Very high97.7Very high4 Ų447.9 Ų47.92%0.02131%0.309CS..Hα-helixtrans-60.2-45.1177-68.1172.2000110.9L36 V55 G56 L61 R62 V63 V74 V76 L101 L103L36-L59 HydrophobicContact CD1-CD2 4.23Å; V55-L59 HydrophobicContact CG1-CD1 4.08Å; V55-L59 HydrophobicContact CG1-CG 4.32Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.28Å; G56-L59 PolarHBondContact O-N 3.23Å; G56-L59 VanDerWaalsContact O-N 3.16Å; L59-L61 PolarHBondContact O-N 3Å; L59-L61 VanDerWaalsContact O-N 3.08Å; L59-R62 PolarHBondContact O-N 3.26Å; L59-V63 HydrophobicContact CD2-CG2 3.86Å; L59-V63 WeakPolarHBondContact O-CA 3.39Å; L59-V63 WeakPolarHBondContact O-CB 3.31Å; L59-V63 PolarHBondContact O-N 2.94Å; L59-V74 HydrophobicContact CD2-CG1 4.37Å; L59-V76 HydrophobicContact CD1-CG2 4.38Å; L59-L101 HydrophobicContact CD1-CD2 4.44Å; L59-L103 HydrophobicContact CD1-CD1 4.16Å; L59-L103 HydrophobicContact CD1-CD2 4.3Å; L59-L103 HydrophobicContact CD1-CG 4.42Å
60A98.4Very high97.7Very high62 Ų6252.2 Ų52.251%0.51233%0.325SS..Hα-helixtrans-58.5-25.4178.800000113.8G56 A58 K67G56-A60 WeakPolarHBondContact O-CB 3.39Å; G56-A60 PolarHBondContact O-N 3.12Å; A58-A60 PolarHBondContact O-N 2.99Å; A60-K67 WeakPolarHBondContact O-CE 3.47Å
61L98.3Very high97.8Very high79 Ų7950.6 Ų50.641%0.41430%0.297SS..Hα-helixtrans-82.4-19.8177.6-67.1173.8000113.7L33 D57 A58 L59L33-L61 HydrophobicContact CD1-CD1 4.21Å; L33-L61 HydrophobicContact CD2-CB 4.16Å; L33-L61 HydrophobicContact CD2-CD1 4.26Å; D57-L61 WeakPolarHBondContact O-CG 2.99Å; A58-L61 PolarHBondContact O-N 3.11Å; L59-L61 PolarHBondContact O-N 3Å; L59-L61 VanDerWaalsContact O-N 3.08Å
62R98.2Very high97.8Very high67 Ų6755 Ų5525%0.25332%0.32SS..Hα-helixtrans-126.7-24.1-170.8-66.7-60.7-172.5-90.6-3.3114.9L33 L36 D37 L59 K67 A68 L69L33-R62 HydrophobicContact CD2-CG 3.7Å; L36-R62 HydrophobicContact CD1-CB 3.9Å; L36-R62 HydrophobicContact CD1-CG 4.25Å; D37-R62 WeakPolarHBondContact OD1-CD 3.48Å; D37-R62 IonicContact OD1-CZ 3.64Å; D37-R62 IonicContact OD1-NE 3.72Å; D37-R62 PolarHBondContact OD1-NE 3.02Å; D37-R62 IonicContact OD1-NH2 3.5Å; D37-R62 IonicContact OD2-CZ 3.2Å; D37-R62 IonicContact OD2-NE 3.27Å; D37-R62 PolarHBondContact OD2-NE 3.31Å; D37-R62 IonicContact OD2-NH2 3.88Å; D37-R62 PolarHBondContact OD2-NH2 3.3Å; L59-R62 PolarHBondContact O-N 3.26Å; R62-K67 VanDerWaalsContact O-CB 3.3Å; R62-K67 WeakPolarHBondContact O-CB 3.34Å; R62-A68 PolarHBondContact O-N 3.39Å; R62-L69 WeakPolarHBondContact O-CB 3.27Å; R62-L69 PolarHBondContact O-N 2.81Å
63V98.5Very high97.8Very high16 Ų1658.1 Ų58.110%0.09734%0.335CS..BIsolated β-bridgetrans-120.9127.4-167.1-171.80000110.2L36 L59 L69 R71 V74L36-V63 HydrophobicContact CD1-CG2 4.23Å; L59-V63 HydrophobicContact CD2-CG2 3.86Å; L59-V63 WeakPolarHBondContact O-CA 3.39Å; L59-V63 WeakPolarHBondContact O-CB 3.31Å; L59-V63 PolarHBondContact O-N 2.94Å; V63-L69 CarbonylContact C-O 3.51Å; V63-L69 VanDerWaalsContact CA-O 3.3Å; V63-L69 WeakPolarHBondContact CA-O 3.39Å; V63-L69 HydrophobicContact CG2-CB 4.33Å; V63-L69 HydrophobicContact CG2-CD1 4.4Å; V63-R71 HydrophobicContact CG1-CB 4.17Å; V63-V74 HydrophobicContact CG1-CB 4.46Å; V63-V74 HydrophobicContact CG1-CG2 4.22Å; V63-V74 HydrophobicContact CG2-CG2 3.86Å
64G96.6Very high97.8Very high16 Ų1653.7 Ų53.717%0.16531%0.314CS..SBendtrans127.4-174.117500000114.1G66 K67 L69G64-G66 PolarHBondContact O-N 2.86Å; G64-K67 WeakPolarHBondContact O-CB 3.33Å; G64-K67 PolarHBondContact O-N 2.9Å; G64-K67 VanDerWaalsContact O-N 3.09Å; G64-L69 PolarHBondContact N-O 2.86Å
65P94.8Very high97.8Very high135 Ų13552.1 Ų52.188%0.87731%0.307SS*.THydrogen-bonded Turntrans-56.9128.6-178.8-24.634.7000112.3K67P65-K67 PolarHBondContact O-N 2.95Å
66G94.6Very high97.8Very high91 Ų9152.1 Ų52.194%0.93831%0.307SS*.THydrogen-bonded Turntrans70.111.7-179.100000115.1G64G64-G66 PolarHBondContact O-N 2.86Å
67K97.4Very high97.8Very high106 Ų10652 Ų5246%0.46131%0.305SS..SBendtrans-103.7172.3174.7-53.9-61.5-176.2177.80111.4A60 R62 G64 P65 L69A60-K67 WeakPolarHBondContact O-CE 3.47Å; R62-K67 VanDerWaalsContact O-CB 3.3Å; R62-K67 WeakPolarHBondContact O-CB 3.34Å; G64-K67 WeakPolarHBondContact O-CB 3.33Å; G64-K67 PolarHBondContact O-N 2.9Å; G64-K67 VanDerWaalsContact O-N 3.09Å; P65-K67 PolarHBondContact O-N 2.95Å; K67-L69 PolarHBondContact O-N 2.95Å
68A96.6Very high97.9Very high82 Ų8248.9 Ų48.968%0.67829%0.289SS*.SBendtrans-62.5-28.3-176.900000113.8R62R62-A68 PolarHBondContact O-N 3.39Å
69L98.4Very high97.9Very high15 Ų1548.9 Ų48.98%0.07929%0.289CS..BIsolated β-bridgetrans-125.8139-178.3-54.8176.4000110.2L36 R62 V63 G64 K67 V74L36-L69 HydrophobicContact CB-CD1 4.15Å; L36-L69 HydrophobicContact CD2-CD1 3.99Å; L36-L69 HydrophobicContact CG-CD1 4.5Å; R62-L69 WeakPolarHBondContact O-CB 3.27Å; R62-L69 PolarHBondContact O-N 2.81Å; V63-L69 CarbonylContact C-O 3.51Å; V63-L69 VanDerWaalsContact CA-O 3.3Å; V63-L69 WeakPolarHBondContact CA-O 3.39Å; V63-L69 HydrophobicContact CG2-CB 4.33Å; V63-L69 HydrophobicContact CG2-CD1 4.4Å; G64-L69 PolarHBondContact N-O 2.86Å; K67-L69 PolarHBondContact O-N 2.95Å; L69-V74 HydrophobicContact CB-CG2 4.23Å; L69-V74 HydrophobicContact CD1-CG2 3.94Å
70R98.3Very high97.9Very high135 Ų13548.7 Ų48.751%0.50929%0.288SS..  trans-75.6153.4168.4-57.2-169.9-52.4-73.7-3.7110.1D72 E73R70-D72 VanDerWaalsContact C-N 3.26Å; R70-D72 WeakPolarHBondContact CB-OD1 3.42Å; R70-D72 IonicContact CZ-OD1 3.5Å; R70-D72 IonicContact NE-OD1 3.08Å; R70-D72 PolarHBondContact NE-OD1 2.99Å; R70-D72 VanDerWaalsContact NE-OD1 3.12Å; R70-D72 IonicContact NE-OD2 2.68Å; R70-D72 IonicContact NH2-OD1 3.02Å; R70-D72 IonicContact NH2-OD2 3.01Å; R70-D72 PolarHBondContact O-N 3.5Å; R70-E73 HydrophobicContact CB-CG 4.11Å; R70-E73 IonicContact CZ-OE1 3.12Å; R70-E73 IonicContact CZ-OE2 3.87Å; R70-E73 PolarHBondContact N-OE2 3.38Å; R70-E73 IonicContact NH1-OE1 3.9Å; R70-E73 PolarHBondContact NH1-OE1 3.06Å; R70-E73 IonicContact NH1-OE2 3.77Å; R70-E73 PolarHBondContact NH1-OE2 3.43Å; R70-E73 VanDerWaalsContact NH2-CD 3.33Å; R70-E73 VanDerWaalsContact NH2-CG 3.26Å; R70-E73 IonicContact NH2-OE1 3.72Å; R70-E73 PolarHBondContact NH2-OE1 2.89Å; R70-E73 WeakPolarHBondContact O-CB 3.22Å; R70-E73 PolarHBondContact O-N 2.98Å; R70-E73 VanDerWaalsContact O-N 3.12Å
71R98.1Very high97.9Very high37 Ų3746.9 Ų46.914%0.1427%0.267CS..G310 helixtrans-61.1-36.1178.6175.158.9-169.289.9-6.4112.2V63 E73 V74 Y105 D107V63-R71 HydrophobicContact CG1-CB 4.17Å; R71-E73 PolarHBondContact O-N 2.89Å; R71-V74 PolarHBondContact NH1-O 3.12Å; R71-V74 PolarHBondContact O-N 3.33Å; R71-Y105 HydrophobicContact CG-CE1 3.89Å; R71-Y105 VanDerWaalsContact NH2-CE2 3.33Å; R71-Y105 PolarHBondContact NH2-O 2.95Å; R71-D107 IonicContact CZ-OD2 3.37Å; R71-D107 VanDerWaalsContact CZ-OD2 3.28Å; R71-D107 IonicContact NH1-OD1 3.7Å; R71-D107 IonicContact NH1-OD2 3.29Å; R71-D107 PolarHBondContact NH1-OD2 2.8Å; R71-D107 IonicContact NH2-OD2 3.65Å; R71-D107 PolarHBondContact NH2-OD2 3.47Å
72D97.3Very high97.9Very high99 Ų9943.1 Ų43.153%0.52925%0.248SC..G310 helixtrans-73.5-7.5178.866.2-30.9000114.1R70R70-D72 VanDerWaalsContact C-N 3.26Å; R70-D72 WeakPolarHBondContact CB-OD1 3.42Å; R70-D72 IonicContact CZ-OD1 3.5Å; R70-D72 IonicContact NE-OD1 3.08Å; R70-D72 PolarHBondContact NE-OD1 2.99Å; R70-D72 VanDerWaalsContact NE-OD1 3.12Å; R70-D72 IonicContact NE-OD2 2.68Å; R70-D72 IonicContact NH2-OD1 3.02Å; R70-D72 IonicContact NH2-OD2 3.01Å; R70-D72 PolarHBondContact O-N 3.5Å
73E97.8Very high97.9Very high72 Ų7240.1 Ų40.134%0.33624%0.237SC..G310 helixtrans-90.6-12.8174.8-66177.3133.200113.3R41 R70 R71R41-E73 WeakPolarHBondContact CB-O 3.4Å; R41-E73 WeakPolarHBondContact CD-O 3.46Å; R70-E73 HydrophobicContact CB-CG 4.11Å; R70-E73 IonicContact CZ-OE1 3.12Å; R70-E73 IonicContact CZ-OE2 3.87Å; R70-E73 PolarHBondContact N-OE2 3.38Å; R70-E73 IonicContact NH1-OE1 3.9Å; R70-E73 PolarHBondContact NH1-OE1 3.06Å; R70-E73 IonicContact NH1-OE2 3.77Å; R70-E73 PolarHBondContact NH1-OE2 3.43Å; R70-E73 VanDerWaalsContact NH2-CD 3.33Å; R70-E73 VanDerWaalsContact NH2-CG 3.26Å; R70-E73 IonicContact NH2-OE1 3.72Å; R70-E73 PolarHBondContact NH2-OE1 2.89Å; R70-E73 WeakPolarHBondContact O-CB 3.22Å; R70-E73 PolarHBondContact O-N 2.98Å; R70-E73 VanDerWaalsContact O-N 3.12Å; R71-E73 PolarHBondContact O-N 2.89Å
74V98.8Very high98Very high1 Ų142 Ų421%0.00624%0.244CC..SBendtrans-115.1118.9-176.7-177.40000109.6L36 I43 L59 V63 L69 R71 V76 D107L36-V74 HydrophobicContact CD2-CG1 4.19Å; L36-V74 HydrophobicContact CD2-CG2 4.28Å; I43-V74 HydrophobicContact CG1-CG1 4.47Å; L59-V74 HydrophobicContact CD2-CG1 4.37Å; V63-V74 HydrophobicContact CG1-CB 4.46Å; V63-V74 HydrophobicContact CG1-CG2 4.22Å; V63-V74 HydrophobicContact CG2-CG2 3.86Å; L69-V74 HydrophobicContact CB-CG2 4.23Å; L69-V74 HydrophobicContact CD1-CG2 3.94Å; R71-V74 PolarHBondContact NH1-O 3.12Å; R71-V74 PolarHBondContact O-N 3.33Å; V74-V76 HydrophobicContact CG1-CG2 4.04Å; V74-D107 VanDerWaalsContact O-OD2 3.13Å
75F98.9Very high98.1Very high9 Ų941.4 Ų41.44%0.03924%0.236CC..EExtended strand (participates in β ladder)trans-85116.7176.4-163.6-76.1000110.1L7 Q11 M13 R41 H42 I43 T77 D107 L108L7-F75 HydrophobicContact CD1-CE2 4.19Å; L7-F75 HydrophobicContact CD1-CZ 4.02Å; Q11-F75 HydrophobicContact CB-CE2 4.33Å; M13-F75 HydrophobicContact CB-CD2 4.29Å; M13-F75 HydrophobicContact CB-CE2 3.93Å; M13-F75 HydrophobicContact CB-CZ 4.2Å; M13-F75 HydrophobicContact CE-CE1 3.96Å; M13-F75 HydrophobicContact CE-CZ 4.41Å; M13-F75 HydrophobicContact CG-CD1 4.32Å; M13-F75 HydrophobicContact CG-CD2 4.34Å; M13-F75 HydrophobicContact CG-CE1 4.04Å; M13-F75 HydrophobicContact CG-CE2 4.06Å; M13-F75 HydrophobicContact CG-CG 4.47Å; M13-F75 HydrophobicContact CG-CZ 3.91Å; M13-F75 HydrophobicContact SD-CE1 4.17Å; M13-F75 HydrophobicContact SD-CZ 4.03Å; R41-F75 WeakPolarHBondContact O-CB 3.49Å; R41-F75 PolarHBondContact O-N 3.44Å; H42-F75 CarbonylContact C-O 3.47Å; H42-F75 VanDerWaalsContact CA-O 3.25Å; H42-F75 WeakPolarHBondContact CA-O 3.31Å; H42-F75 HydrophobicContact CB-CB 4.29Å; H42-F75 AromaticContact CD2-CD1 3.78Å; I43-F75 PolarHBondContact N-O 3.33Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.32Å; F75-D107 WeakPolarHBondContact CA-OD2 3.43Å; F75-D107 HydrophobicContact CB-CB 4.49Å; F75-D107 HydrophobicContact CD1-CB 3.86Å; F75-D107 HydrophobicContact CD2-CB 3.7Å; F75-D107 HydrophobicContact CE1-CB 3.92Å; F75-D107 HydrophobicContact CE2-CB 3.76Å; F75-D107 HydrophobicContact CG-CB 3.75Å; F75-D107 HydrophobicContact CZ-CB 3.87Å; F75-L108 HydrophobicContact CE1-CB 3.58Å; F75-L108 HydrophobicContact CE1-CD2 4.07Å; F75-L108 HydrophobicContact CZ-CB 3.77Å; F75-L108 HydrophobicContact CZ-CD2 4.29Å
76V98.9Very high98.2Very high1 Ų136.4 Ų36.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-114.2123.1179.1-173.80000110.6L59 V74 L101 L103 L106 D107 L108L59-V76 HydrophobicContact CD1-CG2 4.38Å; V74-V76 HydrophobicContact CG1-CG2 4.04Å; V76-L101 HydrophobicContact CG1-CD1 4.24Å; V76-L103 HydrophobicContact CB-CD1 4.01Å; V76-L103 HydrophobicContact CG1-CD1 3.91Å; V76-L103 HydrophobicContact CG2-CD1 3.98Å; V76-L106 HydrophobicContact CB-CD2 4.42Å; V76-L106 HydrophobicContact CG1-CD2 3.94Å; V76-D107 PolarHBondContact N-OD2 2.85Å; V76-D107 PolarHBondContact O-N 3.27Å; V76-L108 PolarHBondContact O-N 3.27Å
77T99Very high98.4Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-105.5133.5175.8-56.50000109.9H42 I43 C45 F75 L108 L110H42-T77 PolarHBondContact NE2-OG1 3.44Å; I43-T77 PolarHBondContact O-N 2.93Å; C45-T77 WeakPolarHBondContact CA-O 3.41Å; C45-T77 VanDerWaalsContact CB-O 3.26Å; C45-T77 WeakPolarHBondContact CB-O 3.46Å; C45-T77 PolarHBondContact N-O 3.35Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.32Å; T77-L108 VanDerWaalsContact CA-O 3.31Å; T77-L108 WeakPolarHBondContact CA-O 3.48Å; T77-L108 HydrophobicContact CG2-CB 4.17Å; T77-L108 HydrophobicContact CG2-CD2 3.96Å; T77-L108 HydrophobicContact CG2-CG 4.06Å; T77-L110 HydrophobicContact CG2-CD1 3.89Å; T77-L110 HydrophobicContact CG2-CG 4.02Å
78S98.9Very high98.5Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-131177163.8-172.20000111.1E52 L108 Y109 L110E52-S78 WeakPolarHBondContact OE1-CB 3.2Å; E52-S78 PolarHBondContact OE1-OG 3.2Å; S78-L108 PolarHBondContact N-O 3.01Å; S78-L108 VanDerWaalsContact N-O 3.08Å; S78-Y109 VanDerWaalsContact C-CD2 3.48Å; S78-Y109 WeakPolarHBondContact O-CA 3.26Å; S78-Y109 WeakPolarHBondContact O-CD2 3.4Å; S78-L110 PolarHBondContact O-N 3.03Å
79K98.9Very high98.6Very high0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-139.1134.9-171.6-42.3-174.4-178.568.40112.9D44 C45 A46 Y49 L110 H112D44-K79 IonicContact OD1-NZ 3.89Å; D44-K79 PolarHBondContact OD1-NZ 2.92Å; D44-K79 IonicContact OD2-NZ 3.09Å; D44-K79 PolarHBondContact OD2-NZ 2.91Å; C45-K79 WeakPolarHBondContact O-CG 3.41Å; C45-K79 PolarHBondContact O-NZ 3.45Å; A46-K79 HydrophobicContact CB-CB 3.85Å; A46-K79 HydrophobicContact CB-CD 4.01Å; A46-K79 HydrophobicContact CB-CG 3.85Å; Y49-K79 PolarHBondContact OH-NZ 3.39Å; Y49-K79 VanDerWaalsContact OH-NZ 3.12Å; K79-L110 CarbonylContact C-O 3.57Å; K79-L110 WeakPolarHBondContact CA-O 3.4Å; K79-L110 HydrophobicContact CB-CB 4.43Å; K79-L110 HydrophobicContact CD-CD1 4.49Å; K79-L110 HydrophobicContact CG-CB 4.1Å; K79-L110 HydrophobicContact CG-CD1 4.47Å; K79-H112 HydrophobicContact CB-CB 3.95Å
80L98.9Very high98.6Very high0 Ų034.2 Ų34.20%016%0.158CC..EExtended strand (participates in β ladder)trans-72.3120.6169.9-17672.4000109.8K84 V90 A93 Y109 L110 H112 T142 M146L80-K84 HydrophobicContact CD1-CB 3.59Å; L80-K84 HydrophobicContact CG-CB 4.25Å; L80-V90 HydrophobicContact CD2-CG1 4.42Å; L80-V90 HydrophobicContact CD2-CG2 3.95Å; L80-A93 HydrophobicContact CD1-CB 3.59Å; L80-Y109 WeakPolarHBondContact CA-OH 3.31Å; L80-Y109 HydrophobicContact CB-CE1 3.8Å; L80-Y109 HydrophobicContact CD1-CE1 4.24Å; L80-L110 PolarHBondContact N-O 2.82Å; L80-H112 WeakPolarHBondContact O-CB 3.42Å; L80-H112 PolarHBondContact O-N 2.73Å; L80-T142 HydrophobicContact CD2-CG2 3.47Å; L80-T142 VanDerWaalsContact CD2-CG2 3.47Å; L80-M146 HydrophobicContact CD2-CG 4.42Å; L80-M146 HydrophobicContact CD2-SD 4.13Å
81W98.8Very high98.6Very high23 Ų2330.2 Ų30.29%0.08715%0.145CC..  trans-82.2157.1-179.4-174.9-117.4000113.1V48 T83 K84 H85 H112 W113 F117 L123V48-W81 HydrophobicContact CB-CB 4.41Å; V48-W81 HydrophobicContact CB-CD2 3.6Å; V48-W81 HydrophobicContact CB-CE3 3.59Å; V48-W81 HydrophobicContact CB-CG 3.96Å; V48-W81 HydrophobicContact CB-CZ3 4.11Å; V48-W81 HydrophobicContact CG1-CD2 4.18Å; V48-W81 HydrophobicContact CG1-CE3 3.62Å; V48-W81 HydrophobicContact CG1-CZ3 3.82Å; V48-W81 HydrophobicContact CG2-CD2 3.47Å; V48-W81 VanDerWaalsContact CG2-CD2 3.47Å; V48-W81 VanDerWaalsContact CG2-CE2 3.45Å; V48-W81 HydrophobicContact CG2-CE3 3.7Å; V48-W81 HydrophobicContact CG2-CG 4.05Å; V48-W81 HydrophobicContact CG2-CH2 3.88Å; V48-W81 HydrophobicContact CG2-CZ2 3.68Å; V48-W81 HydrophobicContact CG2-CZ3 3.89Å; W81-T83 PolarHBondContact O-N 3.1Å; W81-K84 WeakPolarHBondContact O-CB 3.22Å; W81-K84 PolarHBondContact O-N 2.97Å; W81-H85 PolarHBondContact O-CD2 3.41Å; W81-H112 HydrophobicContact CE3-CB 4.19Å; W81-H112 AromaticContact CE3-CG 3.91Å; W81-H112 AromaticContact CE3-ND1 3.61Å; W81-H112 AromaticContact CZ3-ND1 3.92Å; W81-W113 AromaticContact CZ3-CD1 3.84Å; W81-W113 AromaticContact CZ3-NE1 3.94Å; W81-F117 HydrophobicContact CZ2-CE2 4.05Å; W81-L123 PolarHBondContact NE1-O 3.29Å
82N98.7Very high98.7Very high1 Ų134.7 Ų34.71%0.00517%0.168CC..G310 helixtrans-54.4-31.4-171.4-59.418.1000114.1K84 W113 M115 F117N82-K84 PolarHBondContact O-N 3.21Å; N82-W113 WeakPolarHBondContact OD1-CB 3.3Å; N82-W113 VanDerWaalsContact OD1-CD1 3.26Å; N82-M115 WeakPolarHBondContact CB-O 3.43Å; N82-F117 HydrophobicContact CB-CB 3.99Å; N82-F117 HydrophobicContact CB-CD1 3.83Å; N82-F117 HydrophobicContact CB-CD2 3.64Å; N82-F117 HydrophobicContact CB-CE1 4.18Å; N82-F117 HydrophobicContact CB-CE2 4.02Å; N82-F117 HydrophobicContact CB-CG 3.54Å; N82-F117 HydrophobicContact CB-CZ 4.28Å; N82-F117 WeakPolarHBondContact ND2-CE1 3.5Å; N82-F117 WeakPolarHBondContact ND2-CZ 3.48Å; N82-F117 PolarHBondContact O-N 3.22Å
83T98.6Very high98.7Very high3 Ų330.6 Ų30.62%0.01815%0.148CC..G310 helixtrans-79.50.6179.357.30000114.1W81 F117 E122 P125W81-T83 PolarHBondContact O-N 3.1Å; T83-F117 HydrophobicContact CG2-CB 3.55Å; T83-F117 HydrophobicContact CG2-CD2 4.25Å; T83-F117 HydrophobicContact CG2-CG 4.42Å; T83-E122 WeakPolarHBondContact CG2-O 3.43Å; T83-P125 HydrophobicContact CG2-CG 4.17Å
84K98.8Very high98.8Very high57 Ų5727.2 Ų27.225%0.24813%0.132CC..G310 helixtrans-120.520.4-176.7-58.3-64.9178.6178.80113L80 W81 N82 D86 D89 A93L80-K84 HydrophobicContact CD1-CB 3.59Å; L80-K84 HydrophobicContact CG-CB 4.25Å; W81-K84 WeakPolarHBondContact O-CB 3.22Å; W81-K84 PolarHBondContact O-N 2.97Å; N82-K84 PolarHBondContact O-N 3.21Å; K84-D86 VanDerWaalsContact C-N 3.33Å; K84-D89 HydrophobicContact CB-CB 4.38Å; K84-D89 HydrophobicContact CD-CB 3.97Å; K84-A93 HydrophobicContact CB-CB 3.89Å; K84-A93 HydrophobicContact CD-CB 4.27Å; K84-A93 HydrophobicContact CG-CB 3.91Å
85H98.8Very high98.8Very high2 Ų232.5 Ų32.51%0.00915%0.152CC..  trans-72.9-23.1179.7-82.9-144000114.1W81 W113 M115 A116 T137 T142W81-H85 PolarHBondContact O-CD2 3.41Å; H85-W113 PolarHBondContact CE1-O 2.51Å; H85-W113 PolarHBondContact NE2-O 2.63Å; H85-M115 PolarHBondContact CE1-O 2.89Å; H85-M115 VanDerWaalsContact CE1-O 3.3Å; H85-A116 HydrophobicContact CB-CB 3.63Å; H85-T137 HydrophobicContact CB-CG2 4.17Å; H85-T137 WeakPolarHBondContact O-CG2 3.13Å; H85-T142 HydrophobicContact CB-CG2 4.25Å; H85-T142 WeakPolarHBondContact O-CB 3.42Å; H85-T142 WeakPolarHBondContact O-CG2 3.5Å; H85-T142 PolarHBondContact O-OG1 2.67Å
86D98.6Very high98.8Very high30 Ų3034.6 Ų34.616%0.1617%0.167CC..SBendtrans-58.8129.5176.5-171.6-66.9000109.8K84 K88 D89 V90 R119K84-D86 VanDerWaalsContact C-N 3.33Å; D86-K88 PolarHBondContact O-N 3.47Å; D86-K88 WeakPolarHBondContact OD1-CB 3.34Å; D86-K88 PolarHBondContact OD1-N 2.99Å; D86-D89 PolarHBondContact O-N 3.23Å; D86-V90 PolarHBondContact O-N 3.47Å; D86-R119 VanDerWaalsContact CB-CD 3.48Å; D86-R119 HydrophobicContact CB-CG 4.09Å; D86-R119 VanDerWaalsContact CB-NE 3.3Å; D86-R119 IonicContact OD1-CZ 3.24Å; D86-R119 IonicContact OD1-NH1 3.06Å; D86-R119 PolarHBondContact OD1-NH1 3.22Å; D86-R119 IonicContact OD1-NH2 2.85Å; D86-R119 WeakPolarHBondContact OD2-CD 3.17Å; D86-R119 IonicContact OD2-CZ 3.98Å; D86-R119 VanDerWaalsContact OD2-CZ 3.28Å; D86-R119 IonicContact OD2-NE 2.58Å; D86-R119 PolarHBondContact OD2-NE 2.93Å; D86-R119 IonicContact OD2-NH1 2.73Å; D86-R119 PolarHBondContact OD2-NH1 3.45Å
87P98.8Very high98.8Very high59 Ų5934.6 Ų34.638%0.38317%0.167SC..THydrogen-bonded Turntrans-49.3-30.2-178-33.138000114.8D89 D141 A145P87-D89 VanDerWaalsContact C-N 3.31Å; P87-D89 PolarHBondContact O-N 3.17Å; P87-D141 HydrophobicContact CG-CB 4.12Å; P87-A145 HydrophobicContact CB-CB 3.92Å
88K98.4Very high98.8Very high174 Ų17435 Ų3576%0.75717%0.17SC*.THydrogen-bonded Turntrans-72.7-22.3179.5-61.9178.6-179.3178.10113.4D86D86-K88 PolarHBondContact O-N 3.47Å; D86-K88 WeakPolarHBondContact OD1-CB 3.34Å; D86-K88 PolarHBondContact OD1-N 2.99Å
89D98.7Very high98.8Very high15 Ų1540.2 Ų40.28%0.0820%0.201CC..THydrogen-bonded Turntrans-97.3-17.6-175.8-65.7-22.1000113.3K84 D86 P87 E91 E92 A93 R119K84-D89 HydrophobicContact CB-CB 4.38Å; K84-D89 HydrophobicContact CD-CB 3.97Å; D86-D89 PolarHBondContact O-N 3.23Å; P87-D89 VanDerWaalsContact C-N 3.31Å; P87-D89 PolarHBondContact O-N 3.17Å; D89-E91 PolarHBondContact O-N 3.28Å; D89-E92 PolarHBondContact O-N 2.93Å; D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.49Å; D89-R119 IonicContact OD1-CZ 2.79Å; D89-R119 IonicContact OD1-NE 3.31Å; D89-R119 IonicContact OD1-NH2 3.78Å; D89-R119 PolarHBondContact OD1-NH2 2.71Å; D89-R119 IonicContact OD2-CZ 2.94Å; D89-R119 VanDerWaalsContact OD2-CZ 3.29Å; D89-R119 IonicContact OD2-NE 3.17Å; D89-R119 PolarHBondContact OD2-NE 2.93Å; D89-R119 IonicContact OD2-NH2 3Å; D89-R119 PolarHBondContact OD2-NH2 3.35Å; D89-R119 VanDerWaalsContact OD2-NH2 3.11Å
90V98.9Very high98.8Very high1 Ų143.6 Ų43.61%0.00622%0.217CC..Hα-helixtrans-59.4-46.9-171.3171.50000112.4L80 D86 C94 T142 A145 M146 L149L80-V90 HydrophobicContact CD2-CG1 4.42Å; L80-V90 HydrophobicContact CD2-CG2 3.95Å; D86-V90 PolarHBondContact O-N 3.47Å; V90-C94 PolarHBondContact O-N 3.4Å; V90-T142 HydrophobicContact CG2-CG2 3.99Å; V90-A145 HydrophobicContact CB-CB 3.98Å; V90-A145 HydrophobicContact CG1-CB 4.19Å; V90-A145 HydrophobicContact CG2-CB 3.85Å; V90-M146 HydrophobicContact CG1-CG 3.72Å; V90-L149 HydrophobicContact CG1-CD1 3.84Å; V90-L149 HydrophobicContact CG1-CD2 4.45Å; V90-L149 HydrophobicContact CG1-CG 4.29Å
91E98.9Very high98.8Very high51 Ų5143.7 Ų43.724%0.23822%0.218CC..Hα-helixtrans-69.8-43.2-179.4-179172.7169.100112.5D89 A93 C94 R95 L149 K152 L154D89-E91 PolarHBondContact O-N 3.28Å; E91-A93 VanDerWaalsContact C-N 3.29Å; E91-A93 PolarHBondContact O-N 3.22Å; E91-C94 PolarHBondContact O-N 3.28Å; E91-R95 HydrophobicContact CG-CG 4.33Å; E91-R95 WeakPolarHBondContact O-CB 3.28Å; E91-R95 WeakPolarHBondContact O-CG 3.45Å; E91-R95 PolarHBondContact O-N 2.86Å; E91-R95 IonicContact OE1-CZ 3.39Å; E91-R95 VanDerWaalsContact OE1-CZ 3.31Å; E91-R95 IonicContact OE1-NE 3.47Å; E91-R95 PolarHBondContact OE1-NE 3.38Å; E91-R95 IonicContact OE1-NH2 2.76Å; E91-R95 PolarHBondContact OE1-NH2 2.95Å; E91-L149 HydrophobicContact CB-CD2 3.84Å; E91-L149 HydrophobicContact CG-CD2 4.05Å; E91-K152 IonicContact OE1-NZ 3.89Å; E91-K152 PolarHBondContact OE1-NZ 3.42Å; E91-K152 VanDerWaalsContact OE1-NZ 3.17Å; E91-K152 IonicContact OE2-NZ 3.19Å; E91-K152 PolarHBondContact OE2-NZ 2.84Å; E91-L154 HydrophobicContact CG-CD1 4.04Å
92E98.7Very high98.8Very high130 Ų13045.7 Ų45.761%0.60725%0.246SC*.Hα-helixtrans-60-42.9176.9-171.8-172.5167.400110.7D89 R95 S96D89-E92 PolarHBondContact O-N 2.93Å; E92-R95 PolarHBondContact O-N 2.81Å; E92-S96 WeakPolarHBondContact O-CB 3.23Å; E92-S96 PolarHBondContact O-N 3.03Å
93A98.8Very high98.8Very high14 Ų1446.8 Ų46.812%0.11625%0.252CS..Hα-helixtrans-62-45.1176.500000112.3L80 K84 D89 E91 S96 S97L80-A93 HydrophobicContact CD1-CB 3.59Å; K84-A93 HydrophobicContact CB-CB 3.89Å; K84-A93 HydrophobicContact CD-CB 4.27Å; K84-A93 HydrophobicContact CG-CB 3.91Å; D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.49Å; E91-A93 VanDerWaalsContact C-N 3.29Å; E91-A93 PolarHBondContact O-N 3.22Å; A93-S96 PolarHBondContact O-N 3.04Å; A93-S97 PolarHBondContact O-N 3.17Å; A93-S97 VanDerWaalsContact O-N 3.14Å
94C98.9Very high98.7Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-62.2-44.3176-176.80000111.8V90 E91 S96 S97 L98 Y109 L149V90-C94 PolarHBondContact O-N 3.4Å; E91-C94 PolarHBondContact O-N 3.28Å; C94-S96 VanDerWaalsContact C-N 3.32Å; C94-S96 PolarHBondContact O-N 3.33Å; C94-S97 PolarHBondContact O-N 2.77Å; C94-L98 WeakPolarHBondContact O-CG 3.39Å; C94-L98 PolarHBondContact O-N 3.03Å; C94-Y109 HydrophobicContact CB-CD1 4.41Å; C94-Y109 HydrophobicContact CB-CE1 3.85Å; C94-L149 HydrophobicContact CB-CD1 3.82Å; C94-L149 HydrophobicContact CB-CD2 4.23Å
95R98.9Very high98.8Very high112 Ų11250.1 Ų50.142%0.42328%0.276SS..Hα-helixtrans-64.4-36.5177.6-72.5-179.4-178.9-74.3-0.6112E91 E92 L98 T99 L154E91-R95 HydrophobicContact CG-CG 4.33Å; E91-R95 WeakPolarHBondContact O-CB 3.28Å; E91-R95 WeakPolarHBondContact O-CG 3.45Å; E91-R95 PolarHBondContact O-N 2.86Å; E91-R95 IonicContact OE1-CZ 3.39Å; E91-R95 VanDerWaalsContact OE1-CZ 3.31Å; E91-R95 IonicContact OE1-NE 3.47Å; E91-R95 PolarHBondContact OE1-NE 3.38Å; E91-R95 IonicContact OE1-NH2 2.76Å; E91-R95 PolarHBondContact OE1-NH2 2.95Å; E92-R95 PolarHBondContact O-N 2.81Å; R95-L98 PolarHBondContact O-N 3.43Å; R95-T99 PolarHBondContact O-N 3.4Å; R95-T99 PolarHBondContact O-OG1 3.04Å; R95-T99 VanDerWaalsContact O-OG1 3.06Å; R95-L154 HydrophobicContact CG-CD1 4.26Å
96S98.8Very high98.8Very high53 Ų5350 Ų5037%0.37128%0.276SS..Hα-helixtrans-61.1-46.4173.9-179.20000111.5E92 A93 C94 L98 T99 H100E92-S96 WeakPolarHBondContact O-CB 3.23Å; E92-S96 PolarHBondContact O-N 3.03Å; A93-S96 PolarHBondContact O-N 3.04Å; C94-S96 VanDerWaalsContact C-N 3.32Å; C94-S96 PolarHBondContact O-N 3.33Å; S96-L98 PolarHBondContact O-N 2.88Å; S96-T99 PolarHBondContact O-N 2.78Å; S96-H100 PolarHBondContact O-N 3.08Å; S96-H100 PolarHBondContact O-ND1 2.84Å; S96-H100 PolarHBondContact OG-CE1 2.58Å; S96-H100 VanDerWaalsContact OG-CE1 3.25Å
97S98.9Very high98.8Very high1 Ų148.9 Ų48.91%0.00727%0.27CS..Hα-helixtrans-61.3-43.1174.1-71.50000112.5E52 A93 C94 T99 H100 L101E52-S97 PolarHBondContact OE1-OG 2.94Å; E52-S97 WeakPolarHBondContact OE2-CA 3.24Å; E52-S97 VanDerWaalsContact OE2-CB 3.26Å; E52-S97 WeakPolarHBondContact OE2-CB 3.32Å; E52-S97 PolarHBondContact OE2-OG 3.07Å; A93-S97 PolarHBondContact O-N 3.17Å; A93-S97 VanDerWaalsContact O-N 3.14Å; C94-S97 PolarHBondContact O-N 2.77Å; S97-T99 VanDerWaalsContact C-N 3.34Å; S97-T99 PolarHBondContact O-N 3.01Å; S97-H100 PolarHBondContact O-N 3.17Å; S97-L101 VanDerWaalsContact O-CB 3.32Å; S97-L101 WeakPolarHBondContact O-CB 3.35Å; S97-L101 WeakPolarHBondContact O-CD1 3.25Å; S97-L101 VanDerWaalsContact O-CG 3.24Å; S97-L101 WeakPolarHBondContact O-CG 3.04Å; S97-L101 PolarHBondContact O-N 2.79Å
98L98.9Very high98.8Very high10 Ų1046 Ų465%0.05225%0.252CS..Hα-helixtrans-57.9-45175-74.2171.8000112.2C94 R95 S96 L101 G102 L103 L106 L154C94-L98 WeakPolarHBondContact O-CG 3.39Å; C94-L98 PolarHBondContact O-N 3.03Å; R95-L98 PolarHBondContact O-N 3.43Å; S96-L98 PolarHBondContact O-N 2.88Å; L98-L101 PolarHBondContact O-N 3.27Å; L98-G102 PolarHBondContact O-N 2.91Å; L98-L103 WeakPolarHBondContact CB-O 3.1Å; L98-L103 HydrophobicContact CD2-CB 4.1Å; L98-L103 PolarHBondContact O-N 3.01Å; L98-L106 HydrophobicContact CD2-CD2 4.42Å; L98-L106 HydrophobicContact CD2-CG 3.84Å; L98-L154 HydrophobicContact CD1-CB 4.17Å; L98-L154 HydrophobicContact CD1-CD2 4.12Å
99T98.9Very high98.8Very high108 Ų10837.8 Ų37.866%0.66322%0.216SC*.Hα-helixtrans-61.3-50.4176.5-63.70000111.4R95 S96 S97 L101 G102R95-T99 PolarHBondContact O-N 3.4Å; R95-T99 PolarHBondContact O-OG1 3.04Å; R95-T99 VanDerWaalsContact O-OG1 3.06Å; S96-T99 PolarHBondContact O-N 2.78Å; S97-T99 VanDerWaalsContact C-N 3.34Å; S97-T99 PolarHBondContact O-N 3.01Å; T99-L101 VanDerWaalsContact C-N 3.3Å; T99-L101 PolarHBondContact O-N 3.26Å; T99-G102 PolarHBondContact O-N 3.06Å; T99-G102 VanDerWaalsContact O-N 3.09Å
100H98.7Very high98.8Very high72 Ų7237.1 Ų37.133%0.33321%0.212SC..Hα-helixtrans-61.4-40.4179.4-65.4145.4000112.1E52 Q53 S96 S97 G102E52-H100 HydrophobicContact CB-CB 3.82Å; Q53-H100 WeakPolarHBondContact CA-O 3.44Å; Q53-H100 HydrophobicContact CB-CB 4.48Å; Q53-H100 PolarHBondContact NE2-O 3.37Å; S96-H100 PolarHBondContact O-N 3.08Å; S96-H100 PolarHBondContact O-ND1 2.84Å; S96-H100 PolarHBondContact OG-CE1 2.58Å; S96-H100 VanDerWaalsContact OG-CE1 3.25Å; S97-H100 PolarHBondContact O-N 3.17Å; H100-G102 PolarHBondContact O-N 3.43Å
101L98.8Very high98.8Very high1 Ų137 Ų371%0.00521%0.212CC..Hα-helixtrans-76.7-10.6179-66.5165.4000113.1E52 V55 G56 L59 V76 S97 L98 T99 L103 L106E52-L101 HydrophobicContact CB-CD2 4.07Å; E52-L101 HydrophobicContact CB-CG 4.16Å; E52-L101 HydrophobicContact CG-CD2 4.45Å; E52-L101 WeakPolarHBondContact O-CD2 3.41Å; V55-L101 HydrophobicContact CB-CD2 3.92Å; V55-L101 HydrophobicContact CG1-CD2 3.79Å; G56-L101 VanDerWaalsContact CA-O 3.24Å; G56-L101 WeakPolarHBondContact CA-O 3.33Å; L59-L101 HydrophobicContact CD1-CD2 4.44Å; V76-L101 HydrophobicContact CG1-CD1 4.24Å; S97-L101 VanDerWaalsContact O-CB 3.32Å; S97-L101 WeakPolarHBondContact O-CB 3.35Å; S97-L101 WeakPolarHBondContact O-CD1 3.25Å; S97-L101 VanDerWaalsContact O-CG 3.24Å; S97-L101 WeakPolarHBondContact O-CG 3.04Å; S97-L101 PolarHBondContact O-N 2.79Å; L98-L101 PolarHBondContact O-N 3.27Å; T99-L101 VanDerWaalsContact C-N 3.3Å; T99-L101 PolarHBondContact O-N 3.26Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 HydrophobicContact CB-CB 4.42Å; L101-L103 HydrophobicContact CB-CD1 3.87Å; L101-L103 HydrophobicContact CB-CG 3.82Å; L101-L103 HydrophobicContact CD1-CD1 4.4Å; L101-L106 HydrophobicContact CD1-CD2 3.7Å
102G98.6Very high98.8Very high66 Ų6635.4 Ų35.468%0.6820%0.204SC*.THydrogen-bonded Turntrans64.334.9-174.800000113.2L98 T99 H100L98-G102 PolarHBondContact O-N 2.91Å; T99-G102 PolarHBondContact O-N 3.06Å; T99-G102 VanDerWaalsContact O-N 3.09Å; H100-G102 PolarHBondContact O-N 3.43Å
103L98.8Very high98.8Very high24 Ų2430 Ų3013%0.12618%0.178CC..  trans-116.6148.8-174-60.8-178.6000112.1L59 V76 L98 L101 L106L59-L103 HydrophobicContact CD1-CD1 4.16Å; L59-L103 HydrophobicContact CD1-CD2 4.3Å; L59-L103 HydrophobicContact CD1-CG 4.42Å; V76-L103 HydrophobicContact CB-CD1 4.01Å; V76-L103 HydrophobicContact CG1-CD1 3.91Å; V76-L103 HydrophobicContact CG2-CD1 3.98Å; L98-L103 WeakPolarHBondContact CB-O 3.1Å; L98-L103 HydrophobicContact CD2-CB 4.1Å; L98-L103 PolarHBondContact O-N 3.01Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 HydrophobicContact CB-CB 4.42Å; L101-L103 HydrophobicContact CB-CD1 3.87Å; L101-L103 HydrophobicContact CB-CG 3.82Å; L101-L103 HydrophobicContact CD1-CD1 4.4Å; L103-L106 HydrophobicContact CD1-CD2 4.3Å
104S98.4Very high98.8Very high92 Ų9229.3 Ų29.364%0.64317%0.172SC*.SBendtrans-84.3-22.9171.254.30000113.5
105Y98.9Very high98.8Very high37 Ų3729.3 Ų29.315%0.14517%0.172CC..  trans-150.9158.5175.669.6-90.6000111.9R71 L154 K156R71-Y105 HydrophobicContact CG-CE1 3.89Å; R71-Y105 VanDerWaalsContact NH2-CE2 3.33Å; R71-Y105 PolarHBondContact NH2-O 2.95Å; Y105-L154 VanDerWaalsContact CA-O 3.23Å; Y105-L154 WeakPolarHBondContact CA-O 3.39Å; Y105-K156 HydrophobicContact CD2-CD 4.06Å; Y105-K156 HydrophobicContact CD2-CG 3.93Å; Y105-K156 HydrophobicContact CE2-CD 3.76Å; Y105-K156 HydrophobicContact CE2-CG 4.17Å; Y105-K156 VanDerWaalsContact CE2-NZ 3.31Å; Y105-K156 PolarHBondContact OH-NZ 2.79Å
106L98.9Very high98.7Very high0 Ų024 Ų240%015%0.152CC..BIsolated β-bridgetrans-100.1145.3165.3-66.4170.5000110.7V76 L98 L101 L103 L108 Y109 L154 V155 K156V76-L106 HydrophobicContact CB-CD2 4.42Å; V76-L106 HydrophobicContact CG1-CD2 3.94Å; L98-L106 HydrophobicContact CD2-CD2 4.42Å; L98-L106 HydrophobicContact CD2-CG 3.84Å; L101-L106 HydrophobicContact CD1-CD2 3.7Å; L103-L106 HydrophobicContact CD1-CD2 4.3Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-Y109 HydrophobicContact CD1-CD2 3.49Å; L106-Y109 VanDerWaalsContact CD1-CD2 3.49Å; L106-Y109 HydrophobicContact CD1-CE2 4.11Å; L106-Y109 HydrophobicContact CD1-CG 4.14Å; L106-L154 PolarHBondContact N-O 3.2Å; L106-V155 HydrophobicContact CB-CG1 4.18Å; L106-V155 HydrophobicContact CD1-CG1 4.44Å; L106-V155 CarbonylContact O-C 3.57Å; L106-V155 WeakPolarHBondContact O-CA 3.28Å; L106-K156 PolarHBondContact O-N 3.36Å
107D98.9Very high98.7Very high6 Ų621.5 Ų21.53%0.03214%0.135CC..SBendtrans-74.4-31173.6-63.8-85.1000111.1Q11 R71 V74 F75 V76 K156 A157Q11-D107 PolarHBondContact NE2-O 3.48Å; R71-D107 IonicContact CZ-OD2 3.37Å; R71-D107 VanDerWaalsContact CZ-OD2 3.28Å; R71-D107 IonicContact NH1-OD1 3.7Å; R71-D107 IonicContact NH1-OD2 3.29Å; R71-D107 PolarHBondContact NH1-OD2 2.8Å; R71-D107 IonicContact NH2-OD2 3.65Å; R71-D107 PolarHBondContact NH2-OD2 3.47Å; V74-D107 VanDerWaalsContact O-OD2 3.13Å; F75-D107 WeakPolarHBondContact CA-OD2 3.43Å; F75-D107 HydrophobicContact CB-CB 4.49Å; F75-D107 HydrophobicContact CD1-CB 3.86Å; F75-D107 HydrophobicContact CD2-CB 3.7Å; F75-D107 HydrophobicContact CE1-CB 3.92Å; F75-D107 HydrophobicContact CE2-CB 3.76Å; F75-D107 HydrophobicContact CG-CB 3.75Å; F75-D107 HydrophobicContact CZ-CB 3.87Å; V76-D107 PolarHBondContact N-OD2 2.85Å; V76-D107 PolarHBondContact O-N 3.27Å; D107-K156 IonicContact OD1-NZ 2.89Å; D107-K156 PolarHBondContact OD1-NZ 3.31Å; D107-A157 PolarHBondContact O-N 3.41Å
108L98.9Very high98.7Very high0 Ų027.3 Ų27.30%016%0.16CC..EExtended strand (participates in β ladder)trans-147.7134.5177.9-177.860.5000111.1M13 F75 V76 T77 S78 L106 L110 A157 V180 V181M13-L108 HydrophobicContact CE-CD2 3.95Å; M13-L108 HydrophobicContact SD-CD2 4.48Å; F75-L108 HydrophobicContact CE1-CB 3.58Å; F75-L108 HydrophobicContact CE1-CD2 4.07Å; F75-L108 HydrophobicContact CZ-CB 3.77Å; F75-L108 HydrophobicContact CZ-CD2 4.29Å; V76-L108 PolarHBondContact O-N 3.27Å; T77-L108 VanDerWaalsContact CA-O 3.31Å; T77-L108 WeakPolarHBondContact CA-O 3.48Å; T77-L108 HydrophobicContact CG2-CB 4.17Å; T77-L108 HydrophobicContact CG2-CD2 3.96Å; T77-L108 HydrophobicContact CG2-CG 4.06Å; S78-L108 PolarHBondContact N-O 3.01Å; S78-L108 VanDerWaalsContact N-O 3.08Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L108-L110 HydrophobicContact CD1-CD2 3.75Å; L108-L110 HydrophobicContact CD2-CD2 3.85Å; L108-L110 HydrophobicContact CD2-CG 4.38Å; L108-L110 HydrophobicContact CG-CD2 3.64Å; L108-L110 HydrophobicContact CG-CG 4.16Å; L108-A157 WeakPolarHBondContact CA-O 3.47Å; L108-A157 HydrophobicContact CD1-CB 4.34Å; L108-V180 HydrophobicContact CD1-CG2 3.76Å; L108-V181 HydrophobicContact CD1-CB 4.42Å; L108-V181 HydrophobicContact CD1-CG2 4.37Å; L108-V181 HydrophobicContact CD2-CB 3.91Å; L108-V181 HydrophobicContact CD2-CG1 4.21Å; L108-V181 HydrophobicContact CD2-CG2 3.65Å
109Y98.9Very high98.6Very high1 Ų131.8 Ų31.80%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-125.6122171.5-164.1-126.6000111.1S78 L80 C94 L106 M146 L149 V155 A157 I158 G159S78-Y109 VanDerWaalsContact C-CD2 3.48Å; S78-Y109 WeakPolarHBondContact O-CA 3.26Å; S78-Y109 WeakPolarHBondContact O-CD2 3.4Å; L80-Y109 WeakPolarHBondContact CA-OH 3.31Å; L80-Y109 HydrophobicContact CB-CE1 3.8Å; L80-Y109 HydrophobicContact CD1-CE1 4.24Å; C94-Y109 HydrophobicContact CB-CD1 4.41Å; C94-Y109 HydrophobicContact CB-CE1 3.85Å; L106-Y109 HydrophobicContact CD1-CD2 3.49Å; L106-Y109 VanDerWaalsContact CD1-CD2 3.49Å; L106-Y109 HydrophobicContact CD1-CE2 4.11Å; L106-Y109 HydrophobicContact CD1-CG 4.14Å; Y109-M146 HydrophobicContact CD1-CE 4.01Å; Y109-M146 WeakPolarHBondContact O-CE 3.5Å; Y109-L149 HydrophobicContact CD1-CD1 3.74Å; Y109-L149 HydrophobicContact CE1-CD1 3.97Å; Y109-V155 HydrophobicContact CG-CG1 4.25Å; Y109-A157 PolarHBondContact N-O 3.05Å; Y109-I158 VanDerWaalsContact O-CA 3.27Å; Y109-I158 WeakPolarHBondContact O-CA 3.5Å; Y109-G159 PolarHBondContact O-N 3.38Å
110L99Very high98.3Very high0 Ų028.3 Ų28.30%016%0.162CC..EExtended strand (participates in β ladder)trans-105.8144.2-173.3-53.2179.6000111.9T77 S78 K79 L80 L108 H112 G159 V181 Q183T77-L110 HydrophobicContact CG2-CD1 3.89Å; T77-L110 HydrophobicContact CG2-CG 4.02Å; S78-L110 PolarHBondContact O-N 3.03Å; K79-L110 CarbonylContact C-O 3.57Å; K79-L110 WeakPolarHBondContact CA-O 3.4Å; K79-L110 HydrophobicContact CB-CB 4.43Å; K79-L110 HydrophobicContact CD-CD1 4.49Å; K79-L110 HydrophobicContact CG-CB 4.1Å; K79-L110 HydrophobicContact CG-CD1 4.47Å; L80-L110 PolarHBondContact N-O 2.82Å; L108-L110 HydrophobicContact CD1-CD2 3.75Å; L108-L110 HydrophobicContact CD2-CD2 3.85Å; L108-L110 HydrophobicContact CD2-CG 4.38Å; L108-L110 HydrophobicContact CG-CD2 3.64Å; L108-L110 HydrophobicContact CG-CG 4.16Å; L110-H112 PolarHBondContact O-N 2.77Å; L110-G159 WeakPolarHBondContact CA-O 3.39Å; L110-G159 VanDerWaalsContact CD2-C 3.45Å; L110-G159 VanDerWaalsContact CD2-CA 3.47Å; L110-V181 HydrophobicContact CD2-CB 4.34Å; L110-V181 HydrophobicContact CD2-CG1 4.45Å; L110-Q183 HydrophobicContact CD1-CB 3.72Å; L110-Q183 HydrophobicContact CD1-CG 4.46Å
111M98.9Very high98Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-74.8115.5160.6-164.4-179.7-50.200108.4W113 Y139 T142 W143 M146 G159 S161 F163M111-W113 VanDerWaalsContact C-N 3.33Å; M111-W113 WeakPolarHBondContact CG-O 3.24Å; M111-W113 PolarHBondContact O-N 3.4Å; M111-Y139 WeakPolarHBondContact CE-O 3.46Å; M111-T142 HydrophobicContact CE-CG2 3.57Å; M111-T142 HydrophobicContact SD-CG2 4.08Å; M111-W143 HydrophobicContact CE-CB 4.46Å; M111-W143 HydrophobicContact CE-CE3 4.3Å; M111-M146 HydrophobicContact CB-CE 4.5Å; M111-M146 HydrophobicContact CB-SD 3.95Å; M111-M146 HydrophobicContact CE-SD 3.78Å; M111-M146 HydrophobicContact CG-SD 4.47Å; M111-G159 PolarHBondContact N-O 3.17Å; M111-S161 VanDerWaalsContact O-CB 3.27Å; M111-S161 WeakPolarHBondContact O-CB 3.42Å; M111-S161 PolarHBondContact O-N 3Å; M111-F163 HydrophobicContact CB-CE2 4.2Å; M111-F163 HydrophobicContact CB-CZ 4.42Å; M111-F163 HydrophobicContact CE-CZ 4.49Å; M111-F163 HydrophobicContact CG-CE2 4.35Å; M111-F163 HydrophobicContact CG-CZ 4.37Å; M111-F163 HydrophobicContact SD-CE2 4.19Å; M111-F163 HydrophobicContact SD-CZ 3.64Å
112H98.9Very high97.8Very high16 Ų1640.9 Ų40.97%0.07422%0.217CC..SBendtrans-65.4-36.5-166.6-155.7143.3000112.7V48 Y49 K79 L80 W81 L110 S161 N162V48-H112 VanDerWaalsContact CG1-CE1 3.44Å; V48-H112 WeakPolarHBondContact CG1-CE1 3.3Å; Y49-H112 AromaticContact CE1-CE1 3.78Å; K79-H112 HydrophobicContact CB-CB 3.95Å; L80-H112 WeakPolarHBondContact O-CB 3.42Å; L80-H112 PolarHBondContact O-N 2.73Å; W81-H112 HydrophobicContact CE3-CB 4.19Å; W81-H112 AromaticContact CE3-CG 3.91Å; W81-H112 AromaticContact CE3-ND1 3.61Å; W81-H112 AromaticContact CZ3-ND1 3.92Å; L110-H112 PolarHBondContact O-N 2.77Å; H112-S161 CarbonylContact C-O 3.53Å; H112-S161 CarbonylContact O-C 3.47Å; H112-S161 VanDerWaalsContact O-CB 3.27Å; H112-S161 WeakPolarHBondContact O-CB 3.35Å; H112-S161 PolarHBondContact O-OG 2.59Å; H112-S161 VanDerWaalsContact O-OG 3.11Å; H112-N162 PolarHBondContact O-ND2 3.14Å
113W98.8Very high97.6Very high16 Ų1641.7 Ų41.76%0.06121%0.206CC..  trans-143159.2176.1-69.787.7000109.5W81 N82 H85 M111 M115 N162 P319 F320W81-W113 AromaticContact CZ3-CD1 3.84Å; W81-W113 AromaticContact CZ3-NE1 3.94Å; N82-W113 WeakPolarHBondContact OD1-CB 3.3Å; N82-W113 VanDerWaalsContact OD1-CD1 3.26Å; H85-W113 PolarHBondContact CE1-O 2.51Å; H85-W113 PolarHBondContact NE2-O 2.63Å; M111-W113 VanDerWaalsContact C-N 3.33Å; M111-W113 WeakPolarHBondContact CG-O 3.24Å; M111-W113 PolarHBondContact O-N 3.4Å; W113-M115 HydrophobicContact CD2-CE 4.34Å; W113-M115 HydrophobicContact CE3-CE 3.76Å; W113-M115 HydrophobicContact CZ3-CE 4.37Å; W113-M115 PolarHBondContact O-N 3.46Å; W113-N162 HydrophobicContact CD2-CB 3.96Å; W113-N162 VanDerWaalsContact CE2-ND2 3.32Å; W113-N162 HydrophobicContact CE3-CB 3.46Å; W113-N162 VanDerWaalsContact CE3-CB 3.46Å; W113-N162 HydrophobicContact CH2-CB 4.13Å; W113-N162 WeakPolarHBondContact CZ2-ND2 3.37Å; W113-N162 HydrophobicContact CZ3-CB 3.57Å; W113-P319 HydrophobicContact CE3-CG 4.26Å; W113-P319 HydrophobicContact CZ3-CG 4.15Å; W113-F320 AromaticContact CH2-CE2 3.84Å; W113-F320 HydrophobicContact CH2-CE2 3.84Å; W113-F320 AromaticContact CH2-CZ 3.88Å; W113-F320 HydrophobicContact CH2-CZ 3.88Å; W113-F320 AromaticContact CZ3-CE2 3.63Å; W113-F320 HydrophobicContact CZ3-CE2 3.63Å; W113-F320 AromaticContact CZ3-CZ 3.56Å; W113-F320 HydrophobicContact CZ3-CZ 3.56Å
114P98.6Very high97.4Very high0 Ų043.7 Ų43.70%022%0.215CC..SBendtrans-77.72171.830.8-36.3000113.9Y139 N162 F163 H317 P319P114-Y139 HydrophobicContact CB-CD1 4.09Å; P114-Y139 HydrophobicContact CB-CG 4.47Å; P114-Y139 WeakPolarHBondContact O-CD1 3.42Å; P114-N162 WeakPolarHBondContact CD-O 3.47Å; P114-F163 HydrophobicContact CB-CD1 4.29Å; P114-F163 HydrophobicContact CB-CD2 4.19Å; P114-F163 HydrophobicContact CB-CE1 3.87Å; P114-F163 HydrophobicContact CB-CE2 3.79Å; P114-F163 HydrophobicContact CB-CG 4.42Å; P114-F163 HydrophobicContact CB-CZ 3.6Å; P114-F163 HydrophobicContact CG-CD2 4.46Å; P114-F163 HydrophobicContact CG-CE2 4.39Å; P114-H317 HydrophobicContact CB-CB 4.5Å; P114-H317 VanDerWaalsContact CG-O 3.3Å; P114-H317 WeakPolarHBondContact CG-O 3.2Å; P114-P319 HydrophobicContact CG-CB 4.07Å; P114-P319 HydrophobicContact CG-CG 4.05Å
115M97.9Very high97.3Very high0 Ų039.8 Ų39.80%019%0.188CC..  trans-111.4132.6-172.9-54179.9-74.500110.9N82 H85 W113 D312 H315 H317 F318N82-M115 WeakPolarHBondContact CB-O 3.43Å; H85-M115 PolarHBondContact CE1-O 2.89Å; H85-M115 VanDerWaalsContact CE1-O 3.3Å; W113-M115 HydrophobicContact CD2-CE 4.34Å; W113-M115 HydrophobicContact CE3-CE 3.76Å; W113-M115 HydrophobicContact CZ3-CE 4.37Å; W113-M115 PolarHBondContact O-N 3.46Å; M115-D312 HydrophobicContact CE-CB 3.78Å; M115-D312 HydrophobicContact SD-CB 3.84Å; M115-H315 WeakPolarHBondContact CG-ND1 3.48Å; M115-H315 HydrophobicContact SD-CB 3.7Å; M115-H317 HydrophobicContact CG-CB 4.17Å; M115-F318 HydrophobicContact CE-CD2 4.01Å; M115-F318 HydrophobicContact SD-CB 4.16Å; M115-F318 HydrophobicContact SD-CD2 3.88Å
116A98.3Very high97.1Very high0 Ų043.8 Ų43.80%020%0.202CC..EExtended strand (participates in β ladder)trans-95.3138.4178.600000111.2H85 S135H85-A116 HydrophobicContact CB-CB 3.63Å; A116-S135 PolarHBondContact O-N 3.2Å
117F98.3Very high96.8Very high2 Ų250.3 Ų50.31%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-100.5160.6170.6-68.3-1.9000109.6W81 N82 T83 R119 P125 I132 C133 Y134 S135W81-F117 HydrophobicContact CZ2-CE2 4.05Å; N82-F117 HydrophobicContact CB-CB 3.99Å; N82-F117 HydrophobicContact CB-CD1 3.83Å; N82-F117 HydrophobicContact CB-CD2 3.64Å; N82-F117 HydrophobicContact CB-CE1 4.18Å; N82-F117 HydrophobicContact CB-CE2 4.02Å; N82-F117 HydrophobicContact CB-CG 3.54Å; N82-F117 HydrophobicContact CB-CZ 4.28Å; N82-F117 WeakPolarHBondContact ND2-CE1 3.5Å; N82-F117 WeakPolarHBondContact ND2-CZ 3.48Å; N82-F117 PolarHBondContact O-N 3.22Å; T83-F117 HydrophobicContact CG2-CB 3.55Å; T83-F117 HydrophobicContact CG2-CD2 4.25Å; T83-F117 HydrophobicContact CG2-CG 4.42Å; F117-R119 PolarHBondContact O-N 3.27Å; F117-P125 HydrophobicContact CB-CG 4.05Å; F117-I132 HydrophobicContact CD1-CG2 3.59Å; F117-I132 HydrophobicContact CD2-CG2 4.03Å; F117-I132 HydrophobicContact CE1-CG2 3.65Å; F117-I132 HydrophobicContact CE2-CD1 4.46Å; F117-I132 HydrophobicContact CE2-CG2 4.06Å; F117-I132 HydrophobicContact CG-CG2 3.8Å; F117-I132 HydrophobicContact CZ-CG1 4.43Å; F117-I132 HydrophobicContact CZ-CG2 3.87Å; F117-C133 CarbonylContact C-O 3.54Å; F117-Y134 AromaticContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CE1 4.1Å; F117-Y134 AromaticContact CE1-CD1 3.92Å; F117-Y134 HydrophobicContact CE1-CD1 3.92Å; F117-Y134 AromaticContact CE1-CE1 3.74Å; F117-Y134 HydrophobicContact CE1-CE1 3.74Å; F117-S135 WeakPolarHBondContact O-CB 3.19Å
118K98Very high96.5Very high122 Ų12258.7 Ų58.753%0.5327%0.272SS..PPolyproline II helixtrans-52.2129.5174.9-179.1179.5178.4-177.10109.5P125 C133K118-P125 HydrophobicContact CB-CB 4.36Å; K118-P125 HydrophobicContact CB-CG 4.04Å; K118-C133 HydrophobicContact CB-CB 3.61Å; K118-C133 WeakPolarHBondContact CB-O 3.4Å; K118-C133 HydrophobicContact CD-CB 3.93Å; K118-C133 HydrophobicContact CG-CB 4.42Å; K118-C133 PolarHBondContact N-O 2.75Å
119R96.9Very high96Very high104 Ų10464.7 Ų64.739%0.39230%0.304SS..SBendtrans-58.5137.6179-61.1175.672.3-174.9-7.5110.2D86 D89 F117D86-R119 VanDerWaalsContact CB-CD 3.48Å; D86-R119 HydrophobicContact CB-CG 4.09Å; D86-R119 VanDerWaalsContact CB-NE 3.3Å; D86-R119 IonicContact OD1-CZ 3.24Å; D86-R119 IonicContact OD1-NH1 3.06Å; D86-R119 PolarHBondContact OD1-NH1 3.22Å; D86-R119 IonicContact OD1-NH2 2.85Å; D86-R119 WeakPolarHBondContact OD2-CD 3.17Å; D86-R119 IonicContact OD2-CZ 3.98Å; D86-R119 VanDerWaalsContact OD2-CZ 3.28Å; D86-R119 IonicContact OD2-NE 2.58Å; D86-R119 PolarHBondContact OD2-NE 2.93Å; D86-R119 IonicContact OD2-NH1 2.73Å; D86-R119 PolarHBondContact OD2-NH1 3.45Å; D89-R119 IonicContact OD1-CZ 2.79Å; D89-R119 IonicContact OD1-NE 3.31Å; D89-R119 IonicContact OD1-NH2 3.78Å; D89-R119 PolarHBondContact OD1-NH2 2.71Å; D89-R119 IonicContact OD2-CZ 2.94Å; D89-R119 VanDerWaalsContact OD2-CZ 3.29Å; D89-R119 IonicContact OD2-NE 3.17Å; D89-R119 PolarHBondContact OD2-NE 2.93Å; D89-R119 IonicContact OD2-NH2 3Å; D89-R119 PolarHBondContact OD2-NH2 3.35Å; D89-R119 VanDerWaalsContact OD2-NH2 3.11Å; F117-R119 PolarHBondContact O-N 3.27Å
120G93.9Very high95.5Very high35 Ų3566.2 Ų66.236%0.36132%0.32SS..SBendtrans166.2-173.4179.900000114
121K91.8Very high95.1Very high209 Ų20968.3 Ų68.391%0.90934%0.335SS*.SBendtrans-84-29.7175.5-65.9-175.4179.2-178.90112.6
122E94.8Very high95Very high128 Ų12868.3 Ų68.360%0.59834%0.335SS*.  trans-67131.9177.2-67.2175.2-164.500110.1T83 M124 P125T83-E122 WeakPolarHBondContact CG2-O 3.43Å; E122-M124 VanDerWaalsContact C-N 3.32Å; E122-P125 HydrophobicContact CB-CB 4.49Å; E122-P125 WeakPolarHBondContact OE2-CA 3.25Å
123L93.7Very high94.9Very high84 Ų8468.3 Ų68.344%0.4434%0.337SS..SBendtrans-70.2-32.8176.5-66175.1000111.8V48 W81V48-L123 HydrophobicContact CG2-CD1 4.16Å; V48-L123 HydrophobicContact CG2-CD2 4.4Å; W81-L123 PolarHBondContact NE1-O 3.29Å
124M94.2Very high94.8Very high65 Ų6570.6 Ų70.632%0.3235%0.346SS..SBendtrans-130.877.6-178.4-64.5-173.266.800108.9E122 R126 I132E122-M124 VanDerWaalsContact C-N 3.32Å; M124-R126 PolarHBondContact O-N 2.81Å; M124-I132 HydrophobicContact CB-CD1 4.28Å; M124-I132 HydrophobicContact CE-CD1 3.88Å
125P96.4Very high94.7Very high10 Ų1072 Ų727%0.06536%0.355CS..  trans-65.5129.1-179.429.3-35.4000109.4T83 F117 K118 E122 I132 C133T83-P125 HydrophobicContact CG2-CG 4.17Å; F117-P125 HydrophobicContact CB-CG 4.05Å; K118-P125 HydrophobicContact CB-CB 4.36Å; K118-P125 HydrophobicContact CB-CG 4.04Å; E122-P125 HydrophobicContact CB-CB 4.49Å; E122-P125 WeakPolarHBondContact OE2-CA 3.25Å; P125-I132 WeakPolarHBondContact O-CA 3.42Å; P125-C133 HydrophobicContact CB-CB 4.03Å; P125-C133 HydrophobicContact CG-CB 4.17Å; P125-C133 PolarHBondContact O-N 2.89Å
126R95.1Very high94.7Very high121 Ų12179.9 Ų79.946%0.45740%0.397SS..BIsolated β-bridgetrans-117.8149.5-176.5-68.3-179.9-173.3-88.34.9111.9M124 G130 S131 I132 C133M124-R126 PolarHBondContact O-N 2.81Å; R126-G130 PolarHBondContact NH1-O 2.99Å; R126-S131 CarbonylContact C-O 3.49Å; R126-S131 WeakPolarHBondContact CA-O 3.43Å; R126-I132 HydrophobicContact CG-CD1 4.34Å; R126-C133 VanDerWaalsContact C-SG 3.53Å
127R93.1Very high94.7Very high138 Ų13880.9 Ų80.952%0.52140%0.404SS..  trans-81.1172166-58.6-176.7-171-92.71.4109.5D129 G130 S131 C133R127-D129 WeakPolarHBondContact CB-OD1 3.26Å; R127-D129 PolarHBondContact O-N 2.79Å; R127-G130 PolarHBondContact O-N 2.68Å; R127-S131 WeakPolarHBondContact CD-OG 3.48Å; R127-S131 PolarHBondContact N-O 3.18Å; R127-C133 VanDerWaalsContact CG-SG 3.52Å
128D92.2Very high94.7Very high181 Ų18183.4 Ų83.497%0.96842%0.415SS*.THydrogen-bonded Turntrans-60.7-29.7178.5-60.6-19.2000112.7G130D128-G130 PolarHBondContact O-N 3.01Å
129D88.8Confident94.7Very high126 Ų12677.7 Ų77.767%0.67439%0.39SS*.THydrogen-bonded Turntrans-79.33.617569.35.9000114R127 S131R127-D129 WeakPolarHBondContact CB-OD1 3.26Å; R127-D129 PolarHBondContact O-N 2.79Å; D129-S131 VanDerWaalsContact C-N 3.27Å; D129-S131 PolarHBondContact O-N 2.89Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 3.09Å; D129-S131 PolarHBondContact OD1-OG 3.49Å; D129-S131 PolarHBondContact OD2-OG 2.94Å
130G88.4Confident94.8Very high34 Ų3477.3 Ų77.335%0.35139%0.389SS..SBendtrans81.3-7.4-179.600000115.3R126 R127 D128R126-G130 PolarHBondContact NH1-O 2.99Å; R127-G130 PolarHBondContact O-N 2.68Å; D128-G130 PolarHBondContact O-N 3.01Å
131S90.8Very high95.1Very high43 Ų4379.1 Ų79.130%0.30139%0.39SS..  trans-68.8158.8175.370.70000111.8R126 R127 D129R126-S131 CarbonylContact C-O 3.49Å; R126-S131 WeakPolarHBondContact CA-O 3.43Å; R127-S131 WeakPolarHBondContact CD-OG 3.48Å; R127-S131 PolarHBondContact N-O 3.18Å; D129-S131 VanDerWaalsContact C-N 3.27Å; D129-S131 PolarHBondContact O-N 2.89Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 3.09Å; D129-S131 PolarHBondContact OD1-OG 3.49Å; D129-S131 PolarHBondContact OD2-OG 2.94Å
132I95.3Very high95.4Very high1 Ų169.1 Ų69.11%0.00535%0.347CS..BIsolated β-bridgetrans-73.3138.2179.9-62.4-65.4000110.5F117 M124 P125 R126 Y134 R311F117-I132 HydrophobicContact CD1-CG2 3.59Å; F117-I132 HydrophobicContact CD2-CG2 4.03Å; F117-I132 HydrophobicContact CE1-CG2 3.65Å; F117-I132 HydrophobicContact CE2-CD1 4.46Å; F117-I132 HydrophobicContact CE2-CG2 4.06Å; F117-I132 HydrophobicContact CG-CG2 3.8Å; F117-I132 HydrophobicContact CZ-CG1 4.43Å; F117-I132 HydrophobicContact CZ-CG2 3.87Å; M124-I132 HydrophobicContact CB-CD1 4.28Å; M124-I132 HydrophobicContact CE-CD1 3.88Å; P125-I132 WeakPolarHBondContact O-CA 3.42Å; R126-I132 HydrophobicContact CG-CD1 4.34Å; I132-Y134 HydrophobicContact CB-CD1 4.34Å; I132-Y134 HydrophobicContact CB-CE1 3.76Å; I132-Y134 HydrophobicContact CB-CE2 4.35Å; I132-Y134 HydrophobicContact CG2-CD1 3.78Å; I132-Y134 HydrophobicContact CG2-CE1 3.59Å; I132-Y134 HydrophobicContact CG2-CG 4.45Å; I132-Y134 PolarHBondContact O-N 3.37Å; I132-R311 HydrophobicContact CG1-CG 4.27Å
133C96.9Very high95.6Very high16 Ų1663 Ų6311%0.10832%0.318CS..  trans-77.6106164.3-66.60000109.2F117 K118 P125 R126 R127F117-C133 CarbonylContact C-O 3.54Å; K118-C133 HydrophobicContact CB-CB 3.61Å; K118-C133 WeakPolarHBondContact CB-O 3.4Å; K118-C133 HydrophobicContact CD-CB 3.93Å; K118-C133 HydrophobicContact CG-CB 4.42Å; K118-C133 PolarHBondContact N-O 2.75Å; P125-C133 HydrophobicContact CB-CB 4.03Å; P125-C133 HydrophobicContact CG-CB 4.17Å; P125-C133 PolarHBondContact O-N 2.89Å; R126-C133 VanDerWaalsContact C-SG 3.53Å; R127-C133 VanDerWaalsContact CG-SG 3.52Å
134Y97.4Very high95.9Very high64 Ų6463.9 Ų63.925%0.25132%0.318SS..EExtended strand (participates in β ladder)trans-82.3166.7175.2-56.6-67000112.8F117 I132 R311 D312 H315F117-Y134 AromaticContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CD1 3.8Å; F117-Y134 HydrophobicContact CD1-CE1 4.1Å; F117-Y134 AromaticContact CE1-CD1 3.92Å; F117-Y134 HydrophobicContact CE1-CD1 3.92Å; F117-Y134 AromaticContact CE1-CE1 3.74Å; F117-Y134 HydrophobicContact CE1-CE1 3.74Å; I132-Y134 HydrophobicContact CB-CD1 4.34Å; I132-Y134 HydrophobicContact CB-CE1 3.76Å; I132-Y134 HydrophobicContact CB-CE2 4.35Å; I132-Y134 HydrophobicContact CG2-CD1 3.78Å; I132-Y134 HydrophobicContact CG2-CE1 3.59Å; I132-Y134 HydrophobicContact CG2-CG 4.45Å; I132-Y134 PolarHBondContact O-N 3.37Å; Y134-R311 PolarHBondContact OH-O 3.38Å; Y134-D312 WeakPolarHBondContact OH-CA 3.37Å; Y134-D312 PolarHBondContact OH-OD1 2.87Å; Y134-D312 VanDerWaalsContact OH-OD1 3.07Å; Y134-H315 AromaticContact CD1-CD2 3.4Å; Y134-H315 WeakPolarHBondContact CD1-CD2 3.37Å; Y134-H315 AromaticContact CE1-CD2 3.81Å; Y134-H315 AromaticContact CG-CD2 3.56Å
135S97Very high96.1Very high28 Ų2861.3 Ų61.320%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-123.1146.1167.8179.60000108.9A116 F117 T137A116-S135 PolarHBondContact O-N 3.2Å; F117-S135 WeakPolarHBondContact O-CB 3.19Å; S135-T137 PolarHBondContact O-N 3.28Å; S135-T137 PolarHBondContact OG-N 2.75Å; S135-T137 PolarHBondContact OG-OG1 3.37Å
136D96.9Very high96.2Very high166 Ų16660.8 Ų60.889%0.88830%0.304SS*.  trans-80.88.8178-58.9-38.6000113H138D136-H138 PolarHBondContact O-N 3.3Å
137T98.4Very high96.4Very high22 Ų2255.2 Ų55.214%0.13528%0.284CS..  trans-60.9113176.8-50.90000110.3H85 S135H85-T137 HydrophobicContact CB-CG2 4.17Å; H85-T137 WeakPolarHBondContact O-CG2 3.13Å; S135-T137 PolarHBondContact O-N 3.28Å; S135-T137 PolarHBondContact OG-N 2.75Å; S135-T137 PolarHBondContact OG-OG1 3.37Å
138H98.7Very high96.7Very high55 Ų5552.1 Ų52.126%0.25528%0.277SS..  trans-72.4137.5177.9-159.8-64.7000110.4D136 R140 D141 T142 H317D136-H138 PolarHBondContact O-N 3.3Å; H138-R140 VanDerWaalsContact CE1-CD 3.46Å; H138-R140 WeakPolarHBondContact CE1-CD 3.44Å; H138-R140 WeakPolarHBondContact ND1-CG 2.97Å; H138-R140 PolarHBondContact ND1-N 3.09Å; H138-R140 PolarHBondContact O-N 3.08Å; H138-D141 PolarHBondContact O-N 3.23Å; H138-T142 PolarHBondContact O-N 2.92Å; H138-H317 AromaticContact CD2-CE1 3.76Å; H138-H317 AromaticContact CD2-NE2 3.62Å; H138-H317 AromaticContact CG-NE2 3.99Å; H138-H317 AromaticContact NE2-CE1 3.69Å; H138-H317 AromaticContact NE2-NE2 3.96Å
139Y98.8Very high97Very high1 Ų143.6 Ų43.60%0.00423%0.232CC..Hα-helixtrans-58.4-14.8178.456.2-97.7000114.2M111 P114 W143 F163 Q167 D170 I171 H317M111-Y139 WeakPolarHBondContact CE-O 3.46Å; P114-Y139 HydrophobicContact CB-CD1 4.09Å; P114-Y139 HydrophobicContact CB-CG 4.47Å; P114-Y139 WeakPolarHBondContact O-CD1 3.42Å; Y139-W143 WeakPolarHBondContact O-CB 3.27Å; Y139-W143 PolarHBondContact O-N 3.34Å; Y139-F163 AromaticContact CD2-CE1 3.76Å; Y139-F163 HydrophobicContact CD2-CE1 3.76Å; Y139-F163 HydrophobicContact CD2-CZ 4.41Å; Y139-F163 HydrophobicContact CE2-CE1 4.27Å; Y139-F163 AromaticContact CG-CE1 4Å; Y139-F163 HydrophobicContact CG-CE1 4Å; Y139-F163 HydrophobicContact CG-CZ 4.28Å; Y139-Q167 HydrophobicContact CE1-CG 4.36Å; Y139-Q167 HydrophobicContact CE2-CB 4.48Å; Y139-D170 HydrophobicContact CE2-CB 4.14Å; Y139-D170 PolarHBondContact OH-OD2 3.25Å; Y139-I171 HydrophobicContact CD2-CD1 3.67Å; Y139-I171 HydrophobicContact CD2-CG1 4.05Å; Y139-I171 HydrophobicContact CE2-CD1 4.13Å; Y139-I171 HydrophobicContact CE2-CG1 4.21Å; Y139-H317 HydrophobicContact CD1-CB 4.39Å; Y139-H317 AromaticContact CD1-CD2 3.98Å; Y139-H317 HydrophobicContact CE1-CB 4.31Å; Y139-H317 AromaticContact CE1-CE1 3.98Å; Y139-H317 AromaticContact CE1-CG 3.84Å; Y139-H317 AromaticContact CE1-ND1 3.77Å
140R98.8Very high97.5Very high97 Ų9739 Ų3937%0.36621%0.208SC..Hα-helixtrans-74.2-36.1176.3-73.6173.579.4-143.810.3111.4H138 W143 K144 I171 I174H138-R140 VanDerWaalsContact CE1-CD 3.46Å; H138-R140 WeakPolarHBondContact CE1-CD 3.44Å; H138-R140 WeakPolarHBondContact ND1-CG 2.97Å; H138-R140 PolarHBondContact ND1-N 3.09Å; H138-R140 PolarHBondContact O-N 3.08Å; R140-W143 PolarHBondContact O-N 3.02Å; R140-K144 WeakPolarHBondContact O-CG 3.27Å; R140-K144 PolarHBondContact O-N 2.85Å; R140-I171 HydrophobicContact CG-CD1 4.18Å; R140-I174 HydrophobicContact CB-CD1 3.84Å; R140-I174 HydrophobicContact CG-CD1 4.08Å
141D98.8Very high97.9Very high72 Ų7241.3 Ų41.339%0.38521%0.212SC..Hα-helixtrans-74.3-38.5176.1-62.5-37.8000110.6P87 H138 W143 K144 A145P87-D141 HydrophobicContact CG-CB 4.12Å; H138-D141 PolarHBondContact O-N 3.23Å; D141-W143 VanDerWaalsContact C-N 3.32Å; D141-W143 PolarHBondContact O-N 3.05Å; D141-K144 PolarHBondContact O-N 3.11Å; D141-K144 IonicContact OD1-NZ 3.79Å; D141-A145 PolarHBondContact O-N 2.95Å
142T98.9Very high98.3Very high0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-59.1-43.4170.2-46.70000111.2L80 H85 V90 M111 H138 K144 A145 M146L80-T142 HydrophobicContact CD2-CG2 3.47Å; L80-T142 VanDerWaalsContact CD2-CG2 3.47Å; H85-T142 HydrophobicContact CB-CG2 4.25Å; H85-T142 WeakPolarHBondContact O-CB 3.42Å; H85-T142 WeakPolarHBondContact O-CG2 3.5Å; H85-T142 PolarHBondContact O-OG1 2.67Å; V90-T142 HydrophobicContact CG2-CG2 3.99Å; M111-T142 HydrophobicContact CE-CG2 3.57Å; M111-T142 HydrophobicContact SD-CG2 4.08Å; H138-T142 PolarHBondContact O-N 2.92Å; T142-K144 PolarHBondContact O-N 2.95Å; T142-A145 WeakPolarHBondContact O-CB 3.49Å; T142-A145 PolarHBondContact O-N 2.92Å; T142-A145 VanDerWaalsContact O-N 3.17Å; T142-M146 HydrophobicContact CG2-SD 4.44Å; T142-M146 WeakPolarHBondContact O-CG 3.37Å; T142-M146 PolarHBondContact O-N 3.46Å
143W98.9Very high98.5Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-58.5-49.3177.9-171.9-99.2000112.4M111 Y139 R140 D141 A145 M146 E147 I158 L160 I171 I174 H177 P179M111-W143 HydrophobicContact CE-CB 4.46Å; M111-W143 HydrophobicContact CE-CE3 4.3Å; Y139-W143 WeakPolarHBondContact O-CB 3.27Å; Y139-W143 PolarHBondContact O-N 3.34Å; R140-W143 PolarHBondContact O-N 3.02Å; D141-W143 VanDerWaalsContact C-N 3.32Å; D141-W143 PolarHBondContact O-N 3.05Å; W143-A145 PolarHBondContact O-N 3.42Å; W143-M146 CarbonylContact O-C 3.4Å; W143-M146 WeakPolarHBondContact O-CA 3.21Å; W143-M146 WeakPolarHBondContact O-CB 3.24Å; W143-M146 PolarHBondContact O-N 3.48Å; W143-E147 PolarHBondContact NE1-OE1 2.75Å; W143-E147 WeakPolarHBondContact O-CG 3.38Å; W143-E147 PolarHBondContact O-N 2.84Å; W143-I158 HydrophobicContact CD2-CD1 4.31Å; W143-I158 HydrophobicContact CE3-CD1 4.49Å; W143-I158 HydrophobicContact CH2-CB 4.02Å; W143-I158 HydrophobicContact CH2-CD1 3.62Å; W143-I158 HydrophobicContact CH2-CG1 3.58Å; W143-I158 HydrophobicContact CZ2-CD1 3.41Å; W143-I158 VanDerWaalsContact CZ2-CD1 3.41Å; W143-I158 HydrophobicContact CZ2-CG1 3.72Å; W143-I158 HydrophobicContact CZ3-CB 4.42Å; W143-I158 HydrophobicContact CZ3-CD1 4.17Å; W143-I158 HydrophobicContact CZ3-CG1 4.33Å; W143-L160 HydrophobicContact CE3-CD2 3.85Å; W143-L160 HydrophobicContact CH2-CD2 4.32Å; W143-L160 HydrophobicContact CZ3-CD2 3.51Å; W143-L160 HydrophobicContact CZ3-CG 4.27Å; W143-I171 HydrophobicContact CB-CD1 3.57Å; W143-I171 HydrophobicContact CD2-CD1 4.18Å; W143-I171 HydrophobicContact CD2-CG2 3.57Å; W143-I171 VanDerWaalsContact CE2-CG2 3.49Å; W143-I171 HydrophobicContact CE3-CD1 4.5Å; W143-I171 HydrophobicContact CE3-CG2 4.06Å; W143-I171 HydrophobicContact CG-CD1 3.77Å; W143-I171 HydrophobicContact CG-CG2 3.91Å; W143-I171 HydrophobicContact CH2-CG2 4.41Å; W143-I171 HydrophobicContact CZ2-CG2 3.93Å; W143-I171 HydrophobicContact CZ3-CG2 4.47Å; W143-I174 HydrophobicContact CB-CD1 4.48Å; W143-H177 WeakPolarHBondContact CZ2-O 3.12Å; W143-H177 PolarHBondContact NE1-O 3.36Å; W143-P179 HydrophobicContact CH2-CB 3.52Å; W143-P179 HydrophobicContact CH2-CG 4.31Å; W143-P179 HydrophobicContact CZ2-CB 3.92Å; W143-P179 HydrophobicContact CZ2-CG 4.29Å; W143-P179 HydrophobicContact CZ3-CB 4.36Å
144K98.9Very high98.6Very high101 Ų10147 Ų4744%0.43924%0.244SC..Hα-helixtrans-55.7-37.6176.3-68.6170.7-174.5166.10112.4R140 D141 T142 I174R140-K144 WeakPolarHBondContact O-CG 3.27Å; R140-K144 PolarHBondContact O-N 2.85Å; D141-K144 PolarHBondContact O-N 3.11Å; D141-K144 IonicContact OD1-NZ 3.79Å; T142-K144 PolarHBondContact O-N 2.95Å; K144-I174 HydrophobicContact CG-CD1 4.28Å
145A98.9Very high98.7Very high11 Ų1144.1 Ų44.19%0.09123%0.233CC..Hα-helixtrans-70.5-3717500000112.5P87 V90 D141 T142 W143 E147 N148P87-A145 HydrophobicContact CB-CB 3.92Å; V90-A145 HydrophobicContact CB-CB 3.98Å; V90-A145 HydrophobicContact CG1-CB 4.19Å; V90-A145 HydrophobicContact CG2-CB 3.85Å; D141-A145 PolarHBondContact O-N 2.95Å; T142-A145 WeakPolarHBondContact O-CB 3.49Å; T142-A145 PolarHBondContact O-N 2.92Å; T142-A145 VanDerWaalsContact O-N 3.17Å; W143-A145 PolarHBondContact O-N 3.42Å; A145-E147 VanDerWaalsContact C-N 3.33Å; A145-E147 PolarHBondContact O-N 2.94Å; A145-N148 WeakPolarHBondContact O-CB 3.15Å; A145-N148 PolarHBondContact O-N 3.41Å
146M98.9Very high98.7Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-65.1-34.3174.6-70.8-178.363.300112.6L80 V90 Y109 M111 T142 W143 N148 L149 I158L80-M146 HydrophobicContact CD2-CG 4.42Å; L80-M146 HydrophobicContact CD2-SD 4.13Å; V90-M146 HydrophobicContact CG1-CG 3.72Å; Y109-M146 HydrophobicContact CD1-CE 4.01Å; Y109-M146 WeakPolarHBondContact O-CE 3.5Å; M111-M146 HydrophobicContact CB-CE 4.5Å; M111-M146 HydrophobicContact CB-SD 3.95Å; M111-M146 HydrophobicContact CE-SD 3.78Å; M111-M146 HydrophobicContact CG-SD 4.47Å; T142-M146 HydrophobicContact CG2-SD 4.44Å; T142-M146 WeakPolarHBondContact O-CG 3.37Å; T142-M146 PolarHBondContact O-N 3.46Å; W143-M146 CarbonylContact O-C 3.4Å; W143-M146 WeakPolarHBondContact O-CA 3.21Å; W143-M146 WeakPolarHBondContact O-CB 3.24Å; W143-M146 PolarHBondContact O-N 3.48Å; M146-N148 PolarHBondContact O-N 3.24Å; M146-L149 VanDerWaalsContact O-CB 3.22Å; M146-L149 WeakPolarHBondContact O-CB 3.27Å; M146-L149 WeakPolarHBondContact O-CG 3.19Å; M146-L149 PolarHBondContact O-N 2.88Å; M146-I158 HydrophobicContact CB-CD1 4.21Å; M146-I158 HydrophobicContact CB-CG2 4.35Å; M146-I158 HydrophobicContact CE-CB 4.17Å; M146-I158 HydrophobicContact CE-CG2 4.09Å
147E98.9Very high98.8Very high4 Ų439.3 Ų39.32%0.01920%0.202CC..Hα-helixtrans-58.1-36.9174.3-67.3-170.6147.900112.5W143 A145 L149 V150 D151 I158 A175 R176 H177W143-E147 PolarHBondContact NE1-OE1 2.75Å; W143-E147 WeakPolarHBondContact O-CG 3.38Å; W143-E147 PolarHBondContact O-N 2.84Å; A145-E147 VanDerWaalsContact C-N 3.33Å; A145-E147 PolarHBondContact O-N 2.94Å; E147-L149 PolarHBondContact O-N 3.24Å; E147-V150 WeakPolarHBondContact O-CB 3.28Å; E147-V150 PolarHBondContact O-N 3.33Å; E147-D151 PolarHBondContact O-N 3.16Å; E147-D151 VanDerWaalsContact O-N 3.15Å; E147-I158 HydrophobicContact CG-CD1 3.94Å; E147-A175 VanDerWaalsContact OE1-CA 3.32Å; E147-A175 WeakPolarHBondContact OE1-CA 3.49Å; E147-R176 WeakPolarHBondContact OE1-CA 3.37Å; E147-R176 PolarHBondContact OE1-N 3.41Å; E147-R176 IonicContact OE2-CZ 3.71Å; E147-R176 IonicContact OE2-NE 3.01Å; E147-R176 PolarHBondContact OE2-NE 3.31Å; E147-R176 IonicContact OE2-NH2 3.6Å; E147-H177 HydrophobicContact CG-CB 4.26Å; E147-H177 PolarHBondContact OE1-N 2.97Å
148N98.9Very high98.9Very high73 Ų7338.4 Ų38.439%0.3920%0.196SC..Hα-helixtrans-64.7-22.8177-61.8-33.2000112.5A145 M146 V150 K152A145-N148 WeakPolarHBondContact O-CB 3.15Å; A145-N148 PolarHBondContact O-N 3.41Å; M146-N148 PolarHBondContact O-N 3.24Å; N148-V150 VanDerWaalsContact C-N 3.33Å; N148-K152 WeakPolarHBondContact O-CB 3.08Å; N148-K152 VanDerWaalsContact O-CG 3.25Å; N148-K152 WeakPolarHBondContact O-CG 3.44Å; N148-K152 PolarHBondContact O-N 2.93Å
149L98.9Very high98.9Very high1 Ų135.8 Ų35.81%0.00518%0.183CC..Hα-helixtrans-69.5-35.2174.8-51.5178.5000111.3V90 E91 C94 Y109 M146 E147 G153 L154 V155V90-L149 HydrophobicContact CG1-CD1 3.84Å; V90-L149 HydrophobicContact CG1-CD2 4.45Å; V90-L149 HydrophobicContact CG1-CG 4.29Å; E91-L149 HydrophobicContact CB-CD2 3.84Å; 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 3.74Å; Y109-L149 HydrophobicContact CE1-CD1 3.97Å; M146-L149 VanDerWaalsContact O-CB 3.22Å; M146-L149 WeakPolarHBondContact O-CB 3.27Å; M146-L149 WeakPolarHBondContact O-CG 3.19Å; M146-L149 PolarHBondContact O-N 2.88Å; E147-L149 PolarHBondContact O-N 3.24Å; L149-G153 PolarHBondContact O-N 3.49Å; L149-L154 HydrophobicContact CB-CB 4.46Å; L149-L154 HydrophobicContact CD2-CD1 4.03Å; L149-L154 PolarHBondContact O-N 2.94Å; L149-V155 HydrophobicContact CB-CG1 4.26Å; L149-V155 HydrophobicContact CB-CG2 3.77Å; L149-V155 PolarHBondContact O-N 3.02Å
150V98.8Very high98.9Very high29 Ų2935.7 Ų35.718%0.17618%0.183CC..Hα-helixtrans-67.6-48.9174-174.60000109.2E147 N148 K152 G153 V155 I158E147-V150 WeakPolarHBondContact O-CB 3.28Å; E147-V150 PolarHBondContact O-N 3.33Å; N148-V150 VanDerWaalsContact C-N 3.33Å; V150-K152 PolarHBondContact O-N 2.93Å; V150-K152 VanDerWaalsContact O-N 3.16Å; V150-G153 PolarHBondContact O-N 3.11Å; V150-V155 HydrophobicContact CG2-CG2 3.77Å; V150-I158 HydrophobicContact CG2-CD1 4.26Å; V150-I158 HydrophobicContact CG2-CG1 4.08Å; V150-I158 HydrophobicContact CG2-CG2 3.8Å
151D98.7Very high98.9Very high84 Ų8431.1 Ų31.145%0.44917%0.166SC..Hα-helixtrans-58.7-31179.5-65.5-22.1000112.2E147 R176 H177E147-D151 PolarHBondContact O-N 3.16Å; E147-D151 VanDerWaalsContact O-N 3.15Å; D151-R176 IonicContact OD1-NH1 3.86Å; D151-R176 IonicContact OD2-CZ 3.34Å; D151-R176 IonicContact OD2-NH1 2.97Å; D151-R176 PolarHBondContact OD2-NH1 2.8Å; D151-R176 IonicContact OD2-NH2 2.79Å; D151-R176 PolarHBondContact OD2-NH2 2.75Å; D151-H177 IonicContact OD1-CD2 3.76Å; D151-H177 IonicContact OD1-CE1 2.78Å; D151-H177 IonicContact OD1-NE2 2.76Å; D151-H177 PolarHBondContact OD1-NE2 3.02Å
152K98.8Very high98.9Very high117 Ų11727.9 Ų27.951%0.50915%0.149SC..THydrogen-bonded Turntrans-86.2-3.8176.1-71.5178175.9-1690114.5E91 N148 V150 L154E91-K152 IonicContact OE1-NZ 3.89Å; E91-K152 PolarHBondContact OE1-NZ 3.42Å; E91-K152 VanDerWaalsContact OE1-NZ 3.17Å; E91-K152 IonicContact OE2-NZ 3.19Å; E91-K152 PolarHBondContact OE2-NZ 2.84Å; N148-K152 WeakPolarHBondContact O-CB 3.08Å; N148-K152 VanDerWaalsContact O-CG 3.25Å; N148-K152 WeakPolarHBondContact O-CG 3.44Å; N148-K152 PolarHBondContact O-N 2.93Å; V150-K152 PolarHBondContact O-N 2.93Å; V150-K152 VanDerWaalsContact O-N 3.16Å; K152-L154 HydrophobicContact CB-CD1 4.38Å; K152-L154 HydrophobicContact CB-CG 4.05Å; K152-L154 PolarHBondContact O-N 3.39Å
153G98.7Very high98.9Very high47 Ų4727.9 Ų27.949%0.48515%0.149SC..THydrogen-bonded Turntrans69.115.5-177.500000114.9L149 V150 V155L149-G153 PolarHBondContact O-N 3.49Å; V150-G153 PolarHBondContact O-N 3.11Å; G153-V155 VanDerWaalsContact C-N 3.29Å
154L98.9Very high98.9Very high15 Ų1527.9 Ų27.98%0.07915%0.149CC..SBendtrans-73.5-27.3176.3-61.3179.5000111.6E91 R95 L98 Y105 L106 L149 K152E91-L154 HydrophobicContact CG-CD1 4.04Å; R95-L154 HydrophobicContact CG-CD1 4.26Å; L98-L154 HydrophobicContact CD1-CB 4.17Å; L98-L154 HydrophobicContact CD1-CD2 4.12Å; Y105-L154 VanDerWaalsContact CA-O 3.23Å; Y105-L154 WeakPolarHBondContact CA-O 3.39Å; L106-L154 PolarHBondContact N-O 3.2Å; L149-L154 HydrophobicContact CB-CB 4.46Å; L149-L154 HydrophobicContact CD2-CD1 4.03Å; L149-L154 PolarHBondContact O-N 2.94Å; K152-L154 HydrophobicContact CB-CD1 4.38Å; K152-L154 HydrophobicContact CB-CG 4.05Å; K152-L154 PolarHBondContact O-N 3.39Å
155V98.9Very high98.8Very high3 Ų324.2 Ų24.22%0.01814%0.137CC..BIsolated β-bridgetrans-137.3141.8177.4-50.70000108.6L106 Y109 L149 V150 G153 I158L106-V155 HydrophobicContact CB-CG1 4.18Å; L106-V155 HydrophobicContact CD1-CG1 4.44Å; L106-V155 CarbonylContact O-C 3.57Å; L106-V155 WeakPolarHBondContact O-CA 3.28Å; Y109-V155 HydrophobicContact CG-CG1 4.25Å; L149-V155 HydrophobicContact CB-CG1 4.26Å; L149-V155 HydrophobicContact CB-CG2 3.77Å; L149-V155 PolarHBondContact O-N 3.02Å; V150-V155 HydrophobicContact CG2-CG2 3.77Å; G153-V155 VanDerWaalsContact C-N 3.29Å; V155-I158 HydrophobicContact CG2-CG2 3.66Å
156K98.8Very high98.8Very high89 Ų8928.4 Ų28.439%0.38715%0.151SC..SBendtrans-78.6-32.9176.8-72.2-175.4175.91650112.7Y105 L106 D107Y105-K156 HydrophobicContact CD2-CD 4.06Å; Y105-K156 HydrophobicContact CD2-CG 3.93Å; Y105-K156 HydrophobicContact CE2-CD 3.76Å; Y105-K156 HydrophobicContact CE2-CG 4.17Å; Y105-K156 VanDerWaalsContact CE2-NZ 3.31Å; Y105-K156 PolarHBondContact OH-NZ 2.79Å; L106-K156 PolarHBondContact O-N 3.36Å; D107-K156 IonicContact OD1-NZ 2.89Å; D107-K156 PolarHBondContact OD1-NZ 3.31Å
157A98.9Very high98.8Very high5 Ų528.4 Ų28.44%0.04115%0.151CC..  trans-150.4161.9174.300000111.6D107 L108 Y109 V180D107-A157 PolarHBondContact O-N 3.41Å; L108-A157 WeakPolarHBondContact CA-O 3.47Å; L108-A157 HydrophobicContact CD1-CB 4.34Å; Y109-A157 PolarHBondContact N-O 3.05Å; A157-V180 HydrophobicContact CB-CG1 4.13Å; A157-V180 HydrophobicContact CB-CG2 3.55Å
158I98.9Very high98.8Very high2 Ų228.2 Ų28.21%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-123.2155.2177.454173.2000110.8Y109 W143 M146 E147 V150 V155 H177 V180Y109-I158 VanDerWaalsContact O-CA 3.27Å; Y109-I158 WeakPolarHBondContact O-CA 3.5Å; W143-I158 HydrophobicContact CD2-CD1 4.31Å; W143-I158 HydrophobicContact CE3-CD1 4.49Å; W143-I158 HydrophobicContact CH2-CB 4.02Å; W143-I158 HydrophobicContact CH2-CD1 3.62Å; W143-I158 HydrophobicContact CH2-CG1 3.58Å; W143-I158 HydrophobicContact CZ2-CD1 3.41Å; W143-I158 VanDerWaalsContact CZ2-CD1 3.41Å; W143-I158 HydrophobicContact CZ2-CG1 3.72Å; W143-I158 HydrophobicContact CZ3-CB 4.42Å; W143-I158 HydrophobicContact CZ3-CD1 4.17Å; W143-I158 HydrophobicContact CZ3-CG1 4.33Å; M146-I158 HydrophobicContact CB-CD1 4.21Å; M146-I158 HydrophobicContact CB-CG2 4.35Å; M146-I158 HydrophobicContact CE-CB 4.17Å; M146-I158 HydrophobicContact CE-CG2 4.09Å; E147-I158 HydrophobicContact CG-CD1 3.94Å; V150-I158 HydrophobicContact CG2-CD1 4.26Å; V150-I158 HydrophobicContact CG2-CG1 4.08Å; V150-I158 HydrophobicContact CG2-CG2 3.8Å; V155-I158 HydrophobicContact CG2-CG2 3.66Å; I158-H177 HydrophobicContact CD1-CB 4.21Å; I158-H177 HydrophobicContact CG1-CB 4.47Å; I158-V180 PolarHBondContact O-N 3.47Å; I158-V180 VanDerWaalsContact O-N 3.07Å
159G98.9Very high98.8Very high0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-158.6-169.6-179.500000113.3Y109 L110 M111 V181Y109-G159 PolarHBondContact O-N 3.38Å; L110-G159 WeakPolarHBondContact CA-O 3.39Å; L110-G159 VanDerWaalsContact CD2-C 3.45Å; L110-G159 VanDerWaalsContact CD2-CA 3.47Å; M111-G159 PolarHBondContact N-O 3.17Å; G159-V181 CarbonylContact C-O 3.54Å; G159-V181 WeakPolarHBondContact CA-O 3.24Å
160L98.9Very high98.8Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-118.3155.5-171.5-55.3174.4000110.3W143 F163 I168 I171 P179 V181 N182 Q183W143-L160 HydrophobicContact CE3-CD2 3.85Å; W143-L160 HydrophobicContact CH2-CD2 4.32Å; W143-L160 HydrophobicContact CZ3-CD2 3.51Å; W143-L160 HydrophobicContact CZ3-CG 4.27Å; L160-F163 HydrophobicContact CB-CB 4.01Å; L160-F163 HydrophobicContact CB-CD1 4.44Å; L160-F163 HydrophobicContact CB-CD2 3.74Å; L160-F163 HydrophobicContact CB-CE2 4.33Å; L160-F163 HydrophobicContact CB-CG 3.81Å; L160-F163 HydrophobicContact CD1-CB 4.08Å; L160-F163 HydrophobicContact CD1-CD1 3.93Å; L160-F163 HydrophobicContact CD1-CG 3.99Å; L160-F163 HydrophobicContact CD2-CD1 3.91Å; L160-F163 HydrophobicContact CD2-CD2 4.12Å; L160-F163 HydrophobicContact CD2-CE1 3.81Å; L160-F163 HydrophobicContact CD2-CE2 4.02Å; L160-F163 HydrophobicContact CD2-CG 4.09Å; L160-F163 HydrophobicContact CD2-CZ 3.87Å; L160-F163 HydrophobicContact CG-CD1 4.3Å; L160-F163 HydrophobicContact CG-CD2 4.37Å; L160-F163 HydrophobicContact CG-CG 4.17Å; L160-I168 HydrophobicContact CD1-CB 4.38Å; L160-I168 HydrophobicContact CD1-CG1 3.83Å; L160-I168 HydrophobicContact CD1-CG2 4.47Å; L160-I171 HydrophobicContact CD2-CG1 4.31Å; L160-P179 HydrophobicContact CD1-CB 3.98Å; L160-P179 HydrophobicContact CD1-CG 4.09Å; L160-P179 HydrophobicContact CG-CB 3.88Å; L160-V181 PolarHBondContact N-O 3.04Å; L160-N182 HydrophobicContact CB-CB 4.44Å; L160-N182 CarbonylContact O-C 2.96Å; L160-N182 VanDerWaalsContact O-CA 3.31Å; L160-N182 WeakPolarHBondContact O-CA 3.46Å; L160-N182 PolarHBondContact O-OD1 2.89Å; L160-Q183 PolarHBondContact O-N 2.94Å
161S98.9Very high98.8Very high1 Ų129.2 Ų29.21%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-141.6131.3171175.30000108.8M111 H112 F163 Q183M111-S161 VanDerWaalsContact O-CB 3.27Å; M111-S161 WeakPolarHBondContact O-CB 3.42Å; M111-S161 PolarHBondContact O-N 3Å; H112-S161 CarbonylContact C-O 3.53Å; H112-S161 CarbonylContact O-C 3.47Å; H112-S161 VanDerWaalsContact O-CB 3.27Å; H112-S161 WeakPolarHBondContact O-CB 3.35Å; H112-S161 PolarHBondContact O-OG 2.59Å; H112-S161 VanDerWaalsContact O-OG 3.11Å; S161-F163 VanDerWaalsContact C-N 3.29Å; S161-F163 VanDerWaalsContact O-CD2 3.27Å; S161-F163 WeakPolarHBondContact O-CD2 3.26Å; S161-F163 PolarHBondContact O-N 3.3Å; S161-Q183 CarbonylContact C-O 3.6Å; S161-Q183 VanDerWaalsContact CA-O 3.24Å; S161-Q183 WeakPolarHBondContact CA-O 3.44Å; S161-Q183 PolarHBondContact OG-O 2.97Å
162N98.7Very high98.8Very high3 Ų326.8 Ų26.82%0.01614%0.141CC..SBendtrans60.131.2-174-53-70.3000114.5H112 W113 P114 Q183 Y209 P319 F320H112-N162 PolarHBondContact O-ND2 3.14Å; W113-N162 HydrophobicContact CD2-CB 3.96Å; W113-N162 VanDerWaalsContact CE2-ND2 3.32Å; W113-N162 HydrophobicContact CE3-CB 3.46Å; W113-N162 VanDerWaalsContact CE3-CB 3.46Å; W113-N162 HydrophobicContact CH2-CB 4.13Å; W113-N162 WeakPolarHBondContact CZ2-ND2 3.37Å; W113-N162 HydrophobicContact CZ3-CB 3.57Å; P114-N162 WeakPolarHBondContact CD-O 3.47Å; N162-Q183 PolarHBondContact N-O 3.39Å; N162-Y209 WeakPolarHBondContact OD1-CE1 3.33Å; N162-Y209 VanDerWaalsContact OD1-CZ 3.3Å; N162-Y209 PolarHBondContact OD1-OH 3.37Å; N162-P319 HydrophobicContact CB-CG 4.38Å; N162-P319 WeakPolarHBondContact O-CB 3.43Å; N162-P319 WeakPolarHBondContact O-CG 3.32Å; N162-F320 HydrophobicContact CB-CE1 4.36Å; N162-F320 HydrophobicContact CB-CZ 4.11Å
163F98.8Very high98.8Very high0 Ų025.3 Ų25.30%015%0.15CC..  trans-92.7139.4173.1-80.9-120.6000110.4M111 P114 Y139 L160 S161 Q167 I168 I171 N182M111-F163 HydrophobicContact CB-CE2 4.2Å; M111-F163 HydrophobicContact CB-CZ 4.42Å; M111-F163 HydrophobicContact CE-CZ 4.49Å; M111-F163 HydrophobicContact CG-CE2 4.35Å; M111-F163 HydrophobicContact CG-CZ 4.37Å; M111-F163 HydrophobicContact SD-CE2 4.19Å; M111-F163 HydrophobicContact SD-CZ 3.64Å; P114-F163 HydrophobicContact CB-CD1 4.29Å; P114-F163 HydrophobicContact CB-CD2 4.19Å; P114-F163 HydrophobicContact CB-CE1 3.87Å; P114-F163 HydrophobicContact CB-CE2 3.79Å; P114-F163 HydrophobicContact CB-CG 4.42Å; P114-F163 HydrophobicContact CB-CZ 3.6Å; P114-F163 HydrophobicContact CG-CD2 4.46Å; P114-F163 HydrophobicContact CG-CE2 4.39Å; Y139-F163 AromaticContact CD2-CE1 3.76Å; Y139-F163 HydrophobicContact CD2-CE1 3.76Å; Y139-F163 HydrophobicContact CD2-CZ 4.41Å; Y139-F163 HydrophobicContact CE2-CE1 4.27Å; Y139-F163 AromaticContact CG-CE1 4Å; Y139-F163 HydrophobicContact CG-CE1 4Å; Y139-F163 HydrophobicContact CG-CZ 4.28Å; L160-F163 HydrophobicContact CB-CB 4.01Å; L160-F163 HydrophobicContact CB-CD1 4.44Å; L160-F163 HydrophobicContact CB-CD2 3.74Å; L160-F163 HydrophobicContact CB-CE2 4.33Å; L160-F163 HydrophobicContact CB-CG 3.81Å; L160-F163 HydrophobicContact CD1-CB 4.08Å; L160-F163 HydrophobicContact CD1-CD1 3.93Å; L160-F163 HydrophobicContact CD1-CG 3.99Å; L160-F163 HydrophobicContact CD2-CD1 3.91Å; L160-F163 HydrophobicContact CD2-CD2 4.12Å; L160-F163 HydrophobicContact CD2-CE1 3.81Å; L160-F163 HydrophobicContact CD2-CE2 4.02Å; L160-F163 HydrophobicContact CD2-CG 4.09Å; L160-F163 HydrophobicContact CD2-CZ 3.87Å; L160-F163 HydrophobicContact CG-CD1 4.3Å; L160-F163 HydrophobicContact CG-CD2 4.37Å; L160-F163 HydrophobicContact CG-CG 4.17Å; S161-F163 VanDerWaalsContact C-N 3.29Å; S161-F163 VanDerWaalsContact O-CD2 3.27Å; S161-F163 WeakPolarHBondContact O-CD2 3.26Å; S161-F163 PolarHBondContact O-N 3.3Å; 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 4.37Å; F163-I168 HydrophobicContact CB-CG1 3.99Å; F163-I171 HydrophobicContact CE1-CG1 4.2Å; F163-N182 PolarHBondContact O-ND2 3.45Å
164N98.8Very high98.8Very high0 Ų024.9 Ų24.90%014%0.137CC..  trans-87.7171.7171.572.726.9000112R166 Q167 I168 P319 D322 Y324N164-R166 PolarHBondContact O-N 2.7Å; N164-R166 PolarHBondContact OD1-N 3.26Å; N164-Q167 VanDerWaalsContact N-OE1 3.15Å; N164-Q167 PolarHBondContact O-N 3.34Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.37Å; N164-Q167 VanDerWaalsContact OD1-CG 3.26Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.5Å; N164-Q167 PolarHBondContact OD1-N 2.89Å; N164-I168 VanDerWaalsContact O-CG1 3.24Å; N164-I168 WeakPolarHBondContact O-CG1 3.44Å; N164-I168 PolarHBondContact O-N 3.44Å; N164-P319 HydrophobicContact CB-CB 4.5Å; N164-P319 WeakPolarHBondContact CB-O 3.4Å; N164-P319 PolarHBondContact ND2-O 3.33Å; N164-P319 VanDerWaalsContact ND2-O 3.11Å; N164-D322 PolarHBondContact ND2-OD2 3.27Å; N164-Y324 HydrophobicContact CB-CD1 4.02Å; N164-Y324 HydrophobicContact CB-CE1 3.68Å
165A98.6Very high98.8Very high24 Ų2425.1 Ų25.120%0.19814%0.141CC..Hα-helixtrans-53.8-50.5-176.300000113.3Q167 I168 D169 L195 H198A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 3.47Å; A165-I168 WeakPolarHBondContact O-CB 3.24Å; A165-I168 PolarHBondContact O-N 2.91Å; A165-I168 VanDerWaalsContact O-N 3.1Å; A165-D169 PolarHBondContact O-N 3.39Å; A165-L195 HydrophobicContact CB-CD1 4.39Å; A165-H198 PolarHBondContact O-NE2 2.9Å
166R98.7Very high98.7Very high99 Ų9932 Ų3237%0.37417%0.166SC..Hα-helixtrans-58.3-44.9178.5179.6-17455.271.4-1.3112.3N164 I168 D169 D170 D322N164-R166 PolarHBondContact O-N 2.7Å; N164-R166 PolarHBondContact OD1-N 3.26Å; R166-I168 VanDerWaalsContact C-N 3.3Å; R166-I168 PolarHBondContact O-N 2.82Å; R166-D169 PolarHBondContact O-N 3.49Å; R166-D170 IonicContact NH1-OD2 3.74Å; R166-D170 PolarHBondContact NH1-OD2 2.8Å; R166-D170 VanDerWaalsContact O-CG 3.28Å; R166-D170 PolarHBondContact O-N 2.94Å; R166-D322 IonicContact CZ-OD2 3.4Å; R166-D322 IonicContact NE-OD2 2.71Å; R166-D322 PolarHBondContact NE-OD2 3.33Å; R166-D322 IonicContact NH2-OD2 3.97Å; R166-D322 PolarHBondContact NH2-OD2 2.94Å; R166-D322 VanDerWaalsContact NH2-OD2 3.08Å
167Q98.9Very high98.7Very high0 Ų030.6 Ų30.60%016%0.161CC..Hα-helixtrans-67.8-30.9179.1-66.5168.8-30.200112.3Y139 F163 N164 A165 I171 H317Y139-Q167 HydrophobicContact CE1-CG 4.36Å; Y139-Q167 HydrophobicContact CE2-CB 4.48Å; 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 4.37Å; N164-Q167 VanDerWaalsContact N-OE1 3.15Å; N164-Q167 PolarHBondContact O-N 3.34Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.37Å; N164-Q167 VanDerWaalsContact OD1-CG 3.26Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.5Å; N164-Q167 PolarHBondContact OD1-N 2.89Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 3.47Å; Q167-I171 WeakPolarHBondContact O-CG1 3.32Å; Q167-I171 PolarHBondContact O-N 2.98Å; Q167-H317 PolarHBondContact NE2-O 3.29Å
168I98.9Very high98.7Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-65.6-48.1172.3-64.4161.7000109.6L160 F163 N164 A165 R166 D170 I171 I172 N182 L195 L202L160-I168 HydrophobicContact CD1-CB 4.38Å; L160-I168 HydrophobicContact CD1-CG1 3.83Å; L160-I168 HydrophobicContact CD1-CG2 4.47Å; F163-I168 HydrophobicContact CB-CG1 3.99Å; N164-I168 VanDerWaalsContact O-CG1 3.24Å; N164-I168 WeakPolarHBondContact O-CG1 3.44Å; N164-I168 PolarHBondContact O-N 3.44Å; A165-I168 WeakPolarHBondContact O-CB 3.24Å; A165-I168 PolarHBondContact O-N 2.91Å; A165-I168 VanDerWaalsContact O-N 3.1Å; R166-I168 VanDerWaalsContact C-N 3.3Å; R166-I168 PolarHBondContact O-N 2.82Å; I168-D170 VanDerWaalsContact C-N 3.31Å; I168-D170 PolarHBondContact O-N 2.97Å; I168-I171 PolarHBondContact O-N 3.27Å; I168-I171 VanDerWaalsContact O-N 3.15Å; I168-I172 HydrophobicContact CG2-CG1 4.2Å; I168-I172 WeakPolarHBondContact O-CG1 3.26Å; I168-I172 PolarHBondContact O-N 2.52Å; I168-N182 WeakPolarHBondContact CD1-ND2 3.46Å; I168-L195 HydrophobicContact CD1-CD1 3.8Å; I168-L202 HydrophobicContact CG2-CD1 3.75Å
169D98.8Very high98.7Very high70 Ų7036.4 Ų36.437%0.37419%0.185SC..Hα-helixtrans-58.6-43176.1-73.5-28.4000111.7A165 R166 I171 I172 A173 H198A165-D169 PolarHBondContact O-N 3.39Å; R166-D169 PolarHBondContact O-N 3.49Å; D169-I171 VanDerWaalsContact C-N 3.26Å; D169-I171 PolarHBondContact O-N 3.36Å; D169-I172 PolarHBondContact O-N 3.44Å; D169-A173 WeakPolarHBondContact O-CB 3.22Å; D169-A173 PolarHBondContact O-N 3.49Å; D169-H198 IonicContact OD1-CE1 2.77Å; D169-H198 PolarHBondContact OD1-CE1 2.98Å; D169-H198 IonicContact OD1-NE2 3.07Å; D169-H198 IonicContact OD2-CE1 3.49Å; D169-H198 PolarHBondContact OD2-CE1 3.47Å; D169-H198 IonicContact OD2-NE2 3.87Å
170D98.7Very high98.7Very high55 Ų5536.7 Ų36.729%0.29419%0.187SC..Hα-helixtrans-59-35.3177-75.9-25.7000112.6Y139 R166 I168Y139-D170 HydrophobicContact CE2-CB 4.14Å; Y139-D170 PolarHBondContact OH-OD2 3.25Å; R166-D170 IonicContact NH1-OD2 3.74Å; R166-D170 PolarHBondContact NH1-OD2 2.8Å; R166-D170 VanDerWaalsContact O-CG 3.28Å; R166-D170 PolarHBondContact O-N 2.94Å; I168-D170 VanDerWaalsContact C-N 3.31Å; I168-D170 PolarHBondContact O-N 2.97Å
171I98.9Very high98.7Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-76.1-48173.7-71.9-57.6000111.1Y139 R140 W143 L160 F163 Q167 I168 D169 A173 I174 A175 P179Y139-I171 HydrophobicContact CD2-CD1 3.67Å; Y139-I171 HydrophobicContact CD2-CG1 4.05Å; Y139-I171 HydrophobicContact CE2-CD1 4.13Å; Y139-I171 HydrophobicContact CE2-CG1 4.21Å; R140-I171 HydrophobicContact CG-CD1 4.18Å; W143-I171 HydrophobicContact CB-CD1 3.57Å; W143-I171 HydrophobicContact CD2-CD1 4.18Å; W143-I171 HydrophobicContact CD2-CG2 3.57Å; W143-I171 VanDerWaalsContact CE2-CG2 3.49Å; W143-I171 HydrophobicContact CE3-CD1 4.5Å; W143-I171 HydrophobicContact CE3-CG2 4.06Å; W143-I171 HydrophobicContact CG-CD1 3.77Å; W143-I171 HydrophobicContact CG-CG2 3.91Å; W143-I171 HydrophobicContact CH2-CG2 4.41Å; W143-I171 HydrophobicContact CZ2-CG2 3.93Å; W143-I171 HydrophobicContact CZ3-CG2 4.47Å; L160-I171 HydrophobicContact CD2-CG1 4.31Å; F163-I171 HydrophobicContact CE1-CG1 4.2Å; Q167-I171 WeakPolarHBondContact O-CG1 3.32Å; Q167-I171 PolarHBondContact O-N 2.98Å; I168-I171 PolarHBondContact O-N 3.27Å; I168-I171 VanDerWaalsContact O-N 3.15Å; D169-I171 VanDerWaalsContact C-N 3.26Å; D169-I171 PolarHBondContact O-N 3.36Å; I171-A173 PolarHBondContact O-N 3.33Å; I171-I174 WeakPolarHBondContact O-CG1 3.43Å; I171-I174 PolarHBondContact O-N 3.35Å; I171-A175 WeakPolarHBondContact O-CB 3.27Å; I171-A175 PolarHBondContact O-N 3.06Å; I171-P179 HydrophobicContact CG2-CG 4.03Å
172I98.6Very high98.7Very high33 Ų3336.7 Ų36.717%0.16919%0.187CC..Hα-helixtrans-56.5-38.2-179.4-73-78.1000111.1I168 D169 I174 A175 K178 P179 L202I168-I172 HydrophobicContact CG2-CG1 4.2Å; I168-I172 WeakPolarHBondContact O-CG1 3.26Å; I168-I172 PolarHBondContact O-N 2.52Å; D169-I172 PolarHBondContact O-N 3.44Å; I172-I174 PolarHBondContact O-N 3.29Å; I172-A175 PolarHBondContact O-N 2.9Å; I172-K178 HydrophobicContact CD1-CB 4.17Å; I172-K178 HydrophobicContact CD1-CD 4.21Å; I172-K178 HydrophobicContact CD1-CG 4.19Å; I172-P179 HydrophobicContact CD1-CG 3.85Å; I172-P179 HydrophobicContact CG1-CG 4.24Å; I172-L202 HydrophobicContact CG1-CD1 4.38Å
173A98.6Very high98.7Very high85 Ų8536.6 Ų36.670%0.70219%0.187SC*.THydrogen-bonded Turntrans-62.7-20.8178.900000114.3D169 I171D169-A173 WeakPolarHBondContact O-CB 3.22Å; D169-A173 PolarHBondContact O-N 3.49Å; I171-A173 PolarHBondContact O-N 3.33Å
174I98.6Very high98.7Very high39 Ų3936.7 Ų36.720%0.219%0.187CC..THydrogen-bonded Turntrans-114.8-9.9-179.664.2150000114.6R140 W143 K144 I171 I172 R176R140-I174 HydrophobicContact CB-CD1 3.84Å; R140-I174 HydrophobicContact CG-CD1 4.08Å; W143-I174 HydrophobicContact CB-CD1 4.48Å; K144-I174 HydrophobicContact CG-CD1 4.28Å; I171-I174 WeakPolarHBondContact O-CG1 3.43Å; I171-I174 PolarHBondContact O-N 3.35Å; I172-I174 PolarHBondContact O-N 3.29Å; I174-R176 PolarHBondContact O-N 2.92Å
175A98.6Very high98.7Very high20 Ų2036.7 Ų36.717%0.16519%0.187CC..  trans-76.8124.6-165.900000112.4E147 I171 I172 K178E147-A175 VanDerWaalsContact OE1-CA 3.32Å; E147-A175 WeakPolarHBondContact OE1-CA 3.49Å; I171-A175 WeakPolarHBondContact O-CB 3.27Å; I171-A175 PolarHBondContact O-N 3.06Å; I172-A175 PolarHBondContact O-N 2.9Å; A175-K178 HydrophobicContact CB-CG 4.47Å
176R98.4Very high98.7Very high147 Ų14735.6 Ų35.656%0.55518%0.178SC*.SBendtrans-74.4-44.1159.5-57.7-175.7-60.1131-4.2110.5E147 D151 I174E147-R176 WeakPolarHBondContact OE1-CA 3.37Å; E147-R176 PolarHBondContact OE1-N 3.41Å; E147-R176 IonicContact OE2-CZ 3.71Å; E147-R176 IonicContact OE2-NE 3.01Å; E147-R176 PolarHBondContact OE2-NE 3.31Å; E147-R176 IonicContact OE2-NH2 3.6Å; D151-R176 IonicContact OD1-NH1 3.86Å; D151-R176 IonicContact OD2-CZ 3.34Å; D151-R176 IonicContact OD2-NH1 2.97Å; D151-R176 PolarHBondContact OD2-NH1 2.8Å; D151-R176 IonicContact OD2-NH2 2.79Å; D151-R176 PolarHBondContact OD2-NH2 2.75Å; I174-R176 PolarHBondContact O-N 2.92Å
177H98.6Very high98.7Very high59 Ų5930.9 Ų30.927%0.27316%0.16SC..SBendtrans-105.6106.4170.8-69-71.1000108W143 E147 D151 I158W143-H177 WeakPolarHBondContact CZ2-O 3.12Å; W143-H177 PolarHBondContact NE1-O 3.36Å; E147-H177 HydrophobicContact CG-CB 4.26Å; E147-H177 PolarHBondContact OE1-N 2.97Å; D151-H177 IonicContact OD1-CD2 3.76Å; D151-H177 IonicContact OD1-CE1 2.78Å; D151-H177 IonicContact OD1-NE2 2.76Å; D151-H177 PolarHBondContact OD1-NE2 3.02Å; I158-H177 HydrophobicContact CD1-CB 4.21Å; I158-H177 HydrophobicContact CG1-CB 4.47Å
178K98.6Very high98.7Very high128 Ų12830.9 Ų30.956%0.55716%0.16SC*.  trans-65.3144.7-178.3-66.9-175.1178.8-176.80111.3I172 A175 V180I172-K178 HydrophobicContact CD1-CB 4.17Å; I172-K178 HydrophobicContact CD1-CD 4.21Å; I172-K178 HydrophobicContact CD1-CG 4.19Å; A175-K178 HydrophobicContact CB-CG 4.47Å; K178-V180 PolarHBondContact O-N 3.32Å
179P98.8Very high98.6Very high1 Ų131.3 Ų31.31%0.00616%0.162CC..  trans-59.6128.8171.925.1-33.7000110W143 L160 I171 I172 V204W143-P179 HydrophobicContact CH2-CB 3.52Å; W143-P179 HydrophobicContact CH2-CG 4.31Å; W143-P179 HydrophobicContact CZ2-CB 3.92Å; W143-P179 HydrophobicContact CZ2-CG 4.29Å; W143-P179 HydrophobicContact CZ3-CB 4.36Å; L160-P179 HydrophobicContact CD1-CB 3.98Å; L160-P179 HydrophobicContact CD1-CG 4.09Å; L160-P179 HydrophobicContact CG-CB 3.88Å; I171-P179 HydrophobicContact CG2-CG 4.03Å; I172-P179 HydrophobicContact CD1-CG 3.85Å; I172-P179 HydrophobicContact CG1-CG 4.24Å; P179-V204 HydrophobicContact CG-CG2 4.46Å
180V98.8Very high98.6Very high7 Ų728.5 Ų28.54%0.04215%0.147CC..  trans-95.2-20.8-179.1-55.80000112.9L7 S8 L108 A157 I158 K178 C205L7-V180 HydrophobicContact CB-CB 4.36Å; L7-V180 HydrophobicContact CD1-CB 4.47Å; L7-V180 HydrophobicContact CD1-CG2 3.95Å; S8-V180 WeakPolarHBondContact OG-CG1 3.46Å; L108-V180 HydrophobicContact CD1-CG2 3.76Å; A157-V180 HydrophobicContact CB-CG1 4.13Å; A157-V180 HydrophobicContact CB-CG2 3.55Å; I158-V180 PolarHBondContact O-N 3.47Å; I158-V180 VanDerWaalsContact O-N 3.07Å; K178-V180 PolarHBondContact O-N 3.32Å; V180-C205 PolarHBondContact O-N 3.35Å
181V98.9Very high98.5Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-136142.5-180173.10000110.5L7 M13 L108 L110 G159 L160 C205L7-V181 HydrophobicContact CD1-CG2 4.26Å; L7-V181 HydrophobicContact CD2-CG2 3.95Å; M13-V181 HydrophobicContact CE-CG2 4.39Å; M13-V181 HydrophobicContact SD-CG2 3.86Å; L108-V181 HydrophobicContact CD1-CB 4.42Å; L108-V181 HydrophobicContact CD1-CG2 4.37Å; L108-V181 HydrophobicContact CD2-CB 3.91Å; L108-V181 HydrophobicContact CD2-CG1 4.21Å; L108-V181 HydrophobicContact CD2-CG2 3.65Å; L110-V181 HydrophobicContact CD2-CB 4.34Å; L110-V181 HydrophobicContact CD2-CG1 4.45Å; G159-V181 CarbonylContact C-O 3.54Å; G159-V181 WeakPolarHBondContact CA-O 3.24Å; L160-V181 PolarHBondContact N-O 3.04Å; V181-C205 CarbonylContact C-O 3.56Å; V181-C205 WeakPolarHBondContact CA-O 3.17Å; V181-C205 HydrophobicContact CG2-CB 4.24Å
182N98.9Very high98.5Very high0 Ų026.4 Ų26.40%014%0.136CC..EExtended strand (participates in β ladder)trans-116.5120156.1-172.122.3000109.4L160 F163 I168 V204 C205 V206 T207L160-N182 HydrophobicContact CB-CB 4.44Å; L160-N182 CarbonylContact O-C 2.96Å; L160-N182 VanDerWaalsContact O-CA 3.31Å; L160-N182 WeakPolarHBondContact O-CA 3.46Å; L160-N182 PolarHBondContact O-OD1 2.89Å; F163-N182 PolarHBondContact O-ND2 3.45Å; I168-N182 WeakPolarHBondContact CD1-ND2 3.46Å; N182-V204 HydrophobicContact CB-CG1 3.97Å; N182-C205 PolarHBondContact N-O 2.82Å; N182-V206 WeakPolarHBondContact O-CA 3.32Å; N182-T207 PolarHBondContact O-N 2.88Å
183Q98.9Very high98.4Very high2 Ų227 Ų271%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-96.7116.8178.9-166.7-179.6111.200110.3D44 L110 L160 S161 N162 T207 Y209 I260D44-Q183 PolarHBondContact OD2-NE2 3.09Å; L110-Q183 HydrophobicContact CD1-CB 3.72Å; L110-Q183 HydrophobicContact CD1-CG 4.46Å; L160-Q183 PolarHBondContact O-N 2.94Å; S161-Q183 CarbonylContact C-O 3.6Å; S161-Q183 VanDerWaalsContact CA-O 3.24Å; S161-Q183 WeakPolarHBondContact CA-O 3.44Å; S161-Q183 PolarHBondContact OG-O 2.97Å; N162-Q183 PolarHBondContact N-O 3.39Å; Q183-T207 CarbonylContact C-O 3.46Å; Q183-T207 VanDerWaalsContact CA-O 3.28Å; Q183-T207 WeakPolarHBondContact CA-O 3.12Å; Q183-T207 HydrophobicContact CG-CG2 3.87Å; Q183-T207 WeakPolarHBondContact CG-O 3.46Å; Q183-Y209 HydrophobicContact CG-CD1 4.12Å; Q183-I260 VanDerWaalsContact CD-CD1 3.49Å; Q183-I260 HydrophobicContact CG-CD1 4.28Å
184V98.8Very high98.4Very high1 Ų128.3 Ų28.31%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-139.5161.4-174.5-64.80000111.8C186 Q192 L195 V206 T207 A208 Y209V184-C186 PolarHBondContact O-N 3.22Å; V184-Q192 HydrophobicContact CG2-CG 4.06Å; V184-L195 HydrophobicContact CG1-CD2 4.01Å; V184-L195 HydrophobicContact CG2-CD2 4.17Å; V184-V206 HydrophobicContact CG2-CG1 3.89Å; V184-T207 PolarHBondContact N-O 3.43Å; V184-A208 WeakPolarHBondContact O-CA 3.41Å; V184-Y209 PolarHBondContact O-N 2.73Å
185E98.6Very high98.4Very high0 Ų026.5 Ų26.50%013%0.132CC..EExtended strand (participates in β ladder)trans-61.7121.4170-170.5179.5141.200109.1H187 L190 Q192 Y209 R296 F297 I298E185-H187 IonicContact OE1-CE1 3.99Å; E185-H187 IonicContact OE1-NE2 3.53Å; E185-H187 PolarHBondContact OE1-NE2 3.44Å; E185-L190 HydrophobicContact CB-CD2 3.96Å; E185-L190 HydrophobicContact CG-CD2 3.94Å; E185-Q192 WeakPolarHBondContact O-CG 3.43Å; E185-Q192 PolarHBondContact O-NE2 2.94Å; E185-Y209 VanDerWaalsContact CA-CE2 3.46Å; E185-Y209 HydrophobicContact CB-CD2 4.12Å; E185-Y209 HydrophobicContact CB-CE2 3.38Å; E185-Y209 HydrophobicContact CG-CE2 4Å; E185-R296 WeakPolarHBondContact OE1-CA 3.5Å; E185-R296 WeakPolarHBondContact OE2-CG 3.33Å; E185-F297 PolarHBondContact OE1-N 3.1Å; E185-F297 PolarHBondContact OE2-N 3.09Å; E185-I298 HydrophobicContact CG-CG1 4.43Å; E185-I298 WeakPolarHBondContact OE2-CA 3.36Å; E185-I298 WeakPolarHBondContact OE2-CB 3.28Å; E185-I298 WeakPolarHBondContact OE2-CG1 3.37Å; E185-I298 PolarHBondContact OE2-N 2.98Å
186C98.6Very high98.3Very high1 Ų125.8 Ų25.81%0.00713%0.125CC..  trans-149.2120.7179.2179.90000111.2V184 L190 Q192 A208 Y209 N252V184-C186 PolarHBondContact O-N 3.22Å; C186-L190 WeakPolarHBondContact CA-O 3.33Å; C186-Q192 HydrophobicContact CB-CG 3.84Å; C186-A208 HydrophobicContact CB-CB 3.67Å; C186-Y209 PolarHBondContact N-O 2.96Å; C186-N252 PolarHBondContact SG-OD1 3.23Å
187H98.4Very high98.3Very high0 Ų022.4 Ų22.40%012%0.124CC..BIsolated β-bridgetrans-163.5171.6-179.652.650000109.5E185 Y189 L190 S191 S210 P211 L227 F297E185-H187 IonicContact OE1-CE1 3.99Å; E185-H187 IonicContact OE1-NE2 3.53Å; E185-H187 PolarHBondContact OE1-NE2 3.44Å; H187-Y189 PolarHBondContact ND1-N 3.03Å; H187-Y189 PolarHBondContact O-N 3.14Å; H187-L190 PolarHBondContact N-O 3.06Å; H187-L190 VanDerWaalsContact N-O 3.16Å; H187-L190 PolarHBondContact ND1-N 3.27Å; H187-L190 CarbonylContact O-C 3.47Å; H187-L190 WeakPolarHBondContact O-CA 3.4Å; H187-L190 PolarHBondContact O-N 3.33Å; H187-S191 PolarHBondContact O-N 3.48Å; H187-S210 PolarHBondContact CD2-O 3.45Å; H187-P211 WeakPolarHBondContact CB-O 3.38Å; H187-L227 HydrophobicContact CB-CD2 3.72Å; H187-F297 AromaticContact CE1-CD2 3.81Å; H187-F297 AromaticContact CE1-CE2 3.93Å; H187-F297 AromaticContact NE2-CD2 3.27Å; H187-F297 VanDerWaalsContact NE2-CD2 3.27Å; H187-F297 WeakPolarHBondContact NE2-CD2 3.46Å; H187-F297 AromaticContact NE2-CE2 3.76Å
188P98.2Very high98.4Very high0 Ų021.4 Ų21.40%012%0.119CC..THydrogen-bonded Turntrans-53.2-31.3-174-31.937.7000116.1L227 I248 W251 I288 F291 N292P188-L227 HydrophobicContact CB-CD1 4.11Å; P188-L227 HydrophobicContact CG-CD1 4.23Å; P188-I248 HydrophobicContact CG-CG1 4.22Å; P188-I248 HydrophobicContact CG-CG2 4.21Å; P188-W251 HydrophobicContact CG-CE3 4.31Å; P188-W251 HydrophobicContact CG-CZ3 4.37Å; P188-I288 HydrophobicContact CB-CG2 3.77Å; P188-I288 HydrophobicContact CG-CG2 3.58Å; P188-F291 HydrophobicContact CB-CB 4.08Å; P188-F291 HydrophobicContact CB-CD2 4.09Å; P188-F291 CarbonylContact O-C 3.5Å; P188-F291 VanDerWaalsContact O-C 3.24Å; P188-N292 WeakPolarHBondContact O-CA 3.34Å; P188-N292 PolarHBondContact O-N 2.82Å; P188-N292 VanDerWaalsContact O-N 3.09Å
189Y97.6Very high98.4Very high9 Ų915.3 Ų15.34%0.0359%0.093CC..THydrogen-bonded Turntrans-79.7-11.9176-64.7-26000115.7H187 L227 D230 F291 R293 N294 T295 F297H187-Y189 PolarHBondContact ND1-N 3.03Å; H187-Y189 PolarHBondContact O-N 3.14Å; Y189-L227 HydrophobicContact CD1-CD1 4.22Å; Y189-L227 HydrophobicContact CD2-CB 4.21Å; Y189-L227 HydrophobicContact CD2-CD1 3.78Å; Y189-L227 HydrophobicContact CE1-CD1 4.2Å; Y189-L227 HydrophobicContact CE2-CB 3.99Å; Y189-L227 HydrophobicContact CE2-CD1 3.76Å; Y189-L227 HydrophobicContact CE2-CG 4.5Å; Y189-L227 HydrophobicContact CG-CD1 4.04Å; Y189-D230 PolarHBondContact OH-OD2 3.09Å; Y189-F291 HydrophobicContact CD1-CB 4.31Å; Y189-F291 WeakPolarHBondContact CD1-O 3.37Å; Y189-F291 HydrophobicContact CE1-CB 4.46Å; Y189-R293 HydrophobicContact CD1-CG 4.21Å; Y189-R293 HydrophobicContact CG-CG 4.32Å; Y189-R293 PolarHBondContact O-N 2.83Å; Y189-N294 PolarHBondContact O-N 2.58Å; Y189-T295 PolarHBondContact O-N 3.01Å; Y189-T295 VanDerWaalsContact O-N 3.1Å; Y189-F297 HydrophobicContact CD2-CE2 4.16Å; Y189-F297 AromaticContact CD2-CZ 3.75Å; Y189-F297 HydrophobicContact CD2-CZ 3.75Å; Y189-F297 HydrophobicContact CE2-CZ 4.36Å
190L97.8Very high98.3Very high12 Ų1221.7 Ų21.76%0.06312%0.117CC..BIsolated β-bridgetrans-146.378.3178.2-174.669.7000107.5E185 C186 H187 Q192 N292 R296E185-L190 HydrophobicContact CB-CD2 3.96Å; E185-L190 HydrophobicContact CG-CD2 3.94Å; C186-L190 WeakPolarHBondContact CA-O 3.33Å; H187-L190 PolarHBondContact N-O 3.06Å; H187-L190 VanDerWaalsContact N-O 3.16Å; H187-L190 PolarHBondContact ND1-N 3.27Å; H187-L190 CarbonylContact O-C 3.47Å; H187-L190 WeakPolarHBondContact O-CA 3.4Å; H187-L190 PolarHBondContact O-N 3.33Å; L190-Q192 PolarHBondContact O-N 3.22Å; L190-N292 WeakPolarHBondContact CA-OD1 3.16Å; L190-R296 HydrophobicContact CD2-CB 3.99Å; L190-R296 HydrophobicContact CD2-CG 3.99Å
191S97.4Very high98.3Very high6 Ų625.6 Ų25.64%0.04215%0.145CC..  trans-73.1-12.3-166.169.10000114.9H187 A193 N292H187-S191 PolarHBondContact O-N 3.48Å; S191-A193 PolarHBondContact O-N 3.46Å; S191-N292 PolarHBondContact N-OD1 3.39Å; S191-N292 PolarHBondContact OG-OD1 3.11Å
192Q98.2Very high98.3Very high5 Ų527.9 Ų27.92%0.02316%0.156CC..  trans5535.7-175.6-61-67.6000112.7V184 E185 C186 L190 D194 L195 L196 Y324V184-Q192 HydrophobicContact CG2-CG 4.06Å; E185-Q192 WeakPolarHBondContact O-CG 3.43Å; E185-Q192 PolarHBondContact O-NE2 2.94Å; C186-Q192 HydrophobicContact CB-CG 3.84Å; L190-Q192 PolarHBondContact O-N 3.22Å; Q192-D194 PolarHBondContact O-N 3.46Å; Q192-L195 HydrophobicContact CB-CB 4.5Å; Q192-L196 WeakPolarHBondContact O-CA 3.29Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 PolarHBondContact O-N 3.28Å; Q192-Y324 VanDerWaalsContact OE1-CD2 3.27Å
193A97.1Very high98.2Very high46 Ų4630.7 Ų30.738%0.3818%0.18SC..Hα-helixtrans-56.7-50-170.400000112.8S191 S197S191-A193 PolarHBondContact O-N 3.46Å; A193-S197 WeakPolarHBondContact O-CB 3.36Å; A193-S197 PolarHBondContact O-N 3.16Å; A193-S197 VanDerWaalsContact O-N 3.07Å
194D98Very high98.2Very high111 Ų11130.8 Ų30.859%0.59418%0.18SC*.Hα-helixtrans-76-42.9-176.4-53.5-32.3000110.7Q192 L196 S197 H198 Y324Q192-D194 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact C-N 3.31Å; D194-L196 PolarHBondContact O-N 3.05Å; D194-S197 WeakPolarHBondContact O-CB 3.43Å; D194-S197 PolarHBondContact O-N 3.49Å; D194-H198 WeakPolarHBondContact O-CB 3.34Å; D194-H198 PolarHBondContact O-N 3.42Å; D194-Y324 VanDerWaalsContact CB-OXT 3.27Å; D194-Y324 WeakPolarHBondContact CB-OXT 3.4Å; D194-Y324 PolarHBondContact N-OXT 3.11Å
195L98.6Very high98.2Very high1 Ų131.7 Ų31.71%0.00519%0.186CC..Hα-helixtrans-60.1-38.6174.5-174.561.9000112.9A165 I168 V184 Q192 H198 C199 Y324A165-L195 HydrophobicContact CB-CD1 4.39Å; I168-L195 HydrophobicContact CD1-CD1 3.8Å; V184-L195 HydrophobicContact CG1-CD2 4.01Å; V184-L195 HydrophobicContact CG2-CD2 4.17Å; Q192-L195 HydrophobicContact CB-CB 4.5Å; L195-H198 PolarHBondContact O-N 2.94Å; L195-C199 WeakPolarHBondContact O-CB 3.3Å; L195-C199 PolarHBondContact O-N 3.26Å; L195-C199 PolarHBondContact O-SG 2.93Å; L195-Y324 HydrophobicContact CB-CD2 3.6Å; L195-Y324 HydrophobicContact CB-CE2 4.3Å; L195-Y324 HydrophobicContact CB-CG 4.14Å; L195-Y324 HydrophobicContact CD2-CD2 3.93Å; L195-Y324 HydrophobicContact CD2-CE2 3.78Å; L195-Y324 HydrophobicContact CG-CD2 4.27Å; L195-Y324 PolarHBondContact N-OXT 2.87Å
196L98.1Very high98.2Very high6 Ų631.9 Ų31.93%0.03119%0.188CC..Hα-helixtrans-66.6-41.6176.3179.460.7000111.1Q192 D194 R200 V206 V257Q192-L196 WeakPolarHBondContact O-CA 3.29Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 PolarHBondContact O-N 3.28Å; D194-L196 VanDerWaalsContact C-N 3.31Å; D194-L196 PolarHBondContact O-N 3.05Å; L196-R200 WeakPolarHBondContact O-CB 3.5Å; L196-R200 VanDerWaalsContact O-CG 3.24Å; L196-R200 WeakPolarHBondContact O-CG 3.46Å; L196-R200 PolarHBondContact O-N 2.92Å; L196-V206 HydrophobicContact CD1-CB 3.84Å; L196-V206 HydrophobicContact CD1-CG2 3.59Å; L196-V257 HydrophobicContact CD1-CG2 3.81Å; L196-V257 HydrophobicContact CD2-CG2 3.81Å; L196-V257 HydrophobicContact CG-CG2 4.49Å
197S98.3Very high98.3Very high75 Ų7531.9 Ų31.952%0.52419%0.188SC..Hα-helixtrans-60.5-47.5174.3-169.80000111.1A193 D194 R200 S201A193-S197 WeakPolarHBondContact O-CB 3.36Å; A193-S197 PolarHBondContact O-N 3.16Å; A193-S197 VanDerWaalsContact O-N 3.07Å; D194-S197 WeakPolarHBondContact O-CB 3.43Å; D194-S197 PolarHBondContact O-N 3.49Å; S197-R200 PolarHBondContact O-N 3.14Å; S197-S201 PolarHBondContact O-N 3.27Å; S197-S201 VanDerWaalsContact O-N 3.07Å
198H98.8Very high98.3Very high38 Ų3831.9 Ų31.918%0.17619%0.188CC..Hα-helixtrans-61-52.2177.8178.774.6000112.2A165 D169 D194 L195 R200 S201 L202A165-H198 PolarHBondContact O-NE2 2.9Å; D169-H198 IonicContact OD1-CE1 2.77Å; D169-H198 PolarHBondContact OD1-CE1 2.98Å; D169-H198 IonicContact OD1-NE2 3.07Å; D169-H198 IonicContact OD2-CE1 3.49Å; D169-H198 PolarHBondContact OD2-CE1 3.47Å; D169-H198 IonicContact OD2-NE2 3.87Å; D194-H198 WeakPolarHBondContact O-CB 3.34Å; D194-H198 PolarHBondContact O-N 3.42Å; L195-H198 PolarHBondContact O-N 2.94Å; H198-R200 VanDerWaalsContact C-N 3.29Å; H198-R200 PolarHBondContact O-N 3.08Å; H198-S201 WeakPolarHBondContact O-CB 3.2Å; H198-S201 PolarHBondContact O-N 2.98Å; H198-S201 PolarHBondContact O-OG 3.22Å; H198-L202 WeakPolarHBondContact NE2-CD1 3.36Å; H198-L202 PolarHBondContact O-N 2.89Å
199C98.8Very high98.3Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-54.5-43.4176.2-76.70000112.2L195 S201 L202 A203 V204 V206L195-C199 WeakPolarHBondContact O-CB 3.3Å; L195-C199 PolarHBondContact O-N 3.26Å; L195-C199 PolarHBondContact O-SG 2.93Å; C199-S201 PolarHBondContact O-N 3.08Å; C199-L202 CarbonylContact O-C 3.53Å; C199-L202 PolarHBondContact O-N 3.39Å; C199-L202 VanDerWaalsContact O-N 3.15Å; C199-A203 PolarHBondContact O-N 3.06Å; C199-V204 CarbonylContact C-O 3.55Å; C199-V204 HydrophobicContact CB-CB 4.08Å; C199-V204 HydrophobicContact CB-CG1 4.44Å; C199-V204 WeakPolarHBondContact CB-O 3.47Å; C199-V204 PolarHBondContact O-N 3.23Å; C199-V206 HydrophobicContact CB-CG2 3.71Å
200R98Very high98.3Very high135 Ų13533.2 Ų33.251%0.50920%0.195SC..Hα-helixtrans-61.8-41.3176.9-75.9171.6-178.5162.2-0.6112.5L196 S197 H198 L202 A203 R255L196-R200 WeakPolarHBondContact O-CB 3.5Å; L196-R200 VanDerWaalsContact O-CG 3.24Å; L196-R200 WeakPolarHBondContact O-CG 3.46Å; L196-R200 PolarHBondContact O-N 2.92Å; S197-R200 PolarHBondContact O-N 3.14Å; H198-R200 VanDerWaalsContact C-N 3.29Å; H198-R200 PolarHBondContact O-N 3.08Å; R200-L202 PolarHBondContact O-N 2.76Å; R200-A203 PolarHBondContact O-N 3.3Å; R200-A203 VanDerWaalsContact O-N 3.08Å; R200-R255 PolarHBondContact NH2-O 2.9Å
201S98.4Very high98.3Very high90 Ų9032.7 Ų32.763%0.62919%0.192SC*.Hα-helixtrans-60.8-24.3177.978.70000113S197 H198 C199S197-S201 PolarHBondContact O-N 3.27Å; S197-S201 VanDerWaalsContact O-N 3.07Å; H198-S201 WeakPolarHBondContact O-CB 3.2Å; H198-S201 PolarHBondContact O-N 2.98Å; H198-S201 PolarHBondContact O-OG 3.22Å; C199-S201 PolarHBondContact O-N 3.08Å
202L98.4Very high98.3Very high47 Ų4734 Ų3425%0.24620%0.198CC..THydrogen-bonded Turntrans-101.45.4179.7-60.2175.6000113.6I168 I172 H198 C199 R200 V204I168-L202 HydrophobicContact CG2-CD1 3.75Å; I172-L202 HydrophobicContact CG1-CD1 4.38Å; H198-L202 WeakPolarHBondContact NE2-CD1 3.36Å; H198-L202 PolarHBondContact O-N 2.89Å; C199-L202 CarbonylContact O-C 3.53Å; C199-L202 PolarHBondContact O-N 3.39Å; C199-L202 VanDerWaalsContact O-N 3.15Å; R200-L202 PolarHBondContact O-N 2.76Å; L202-V204 HydrophobicContact CB-CG2 3.92Å; L202-V204 PolarHBondContact O-N 3.03Å
203A98.3Very high98.1Very high60 Ų6033.9 Ų33.950%0.49620%0.199SC..THydrogen-bonded Turntrans55.534.7-172.200000113.9S8 C199 R200S8-A203 PolarHBondContact OG-O 3.44Å; C199-A203 PolarHBondContact O-N 3.06Å; R200-A203 PolarHBondContact O-N 3.3Å; R200-A203 VanDerWaalsContact O-N 3.08Å
204V98.8Very high97.8Very high3 Ų332.5 Ų32.52%0.01819%0.187CC..PPolyproline II helixtrans-96.4121.4171.7-177.50000108.4P179 N182 C199 L202P179-V204 HydrophobicContact CG-CG2 4.46Å; N182-V204 HydrophobicContact CB-CG1 3.97Å; C199-V204 CarbonylContact C-O 3.55Å; C199-V204 HydrophobicContact CB-CB 4.08Å; C199-V204 HydrophobicContact CB-CG1 4.44Å; C199-V204 WeakPolarHBondContact CB-O 3.47Å; C199-V204 PolarHBondContact O-N 3.23Å; L202-V204 HydrophobicContact CB-CG2 3.92Å; L202-V204 PolarHBondContact O-N 3.03Å
205C98.7Very high97.2Very high20 Ų2029.9 Ų29.914%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-75.7141.6175.9-179.70000110.8L7 V180 V181 N182L7-C205 HydrophobicContact CD2-CB 3.61Å; V180-C205 PolarHBondContact O-N 3.35Å; V181-C205 CarbonylContact C-O 3.56Å; V181-C205 WeakPolarHBondContact CA-O 3.17Å; V181-C205 HydrophobicContact CG2-CB 4.24Å; N182-C205 PolarHBondContact N-O 2.82Å
206V98.9Very high96.5Very high5 Ų534.4 Ų34.43%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-94.7131.7172.6177.80000110.2N182 V184 L196 C199 V257 V258N182-V206 WeakPolarHBondContact O-CA 3.32Å; V184-V206 HydrophobicContact CG2-CG1 3.89Å; L196-V206 HydrophobicContact CD1-CB 3.84Å; L196-V206 HydrophobicContact CD1-CG2 3.59Å; C199-V206 HydrophobicContact CB-CG2 3.71Å; V206-V257 HydrophobicContact CB-CG1 4.42Å; V206-V257 HydrophobicContact CG1-CG1 4.05Å; V206-V258 PolarHBondContact O-N 2.95Å
207T98.9Very high96Very high0 Ų034.9 Ų34.90%021%0.211CC..EExtended strand (participates in β ladder)trans-110.4119.1166.4-61.70000109.6N182 Q183 V184 Y209 V258 I260N182-T207 PolarHBondContact O-N 2.88Å; Q183-T207 CarbonylContact C-O 3.46Å; Q183-T207 VanDerWaalsContact CA-O 3.28Å; Q183-T207 WeakPolarHBondContact CA-O 3.12Å; Q183-T207 HydrophobicContact CG-CG2 3.87Å; Q183-T207 WeakPolarHBondContact CG-O 3.46Å; V184-T207 PolarHBondContact N-O 3.43Å; T207-Y209 PolarHBondContact O-N 2.7Å; T207-V258 CarbonylContact C-O 3.47Å; T207-V258 WeakPolarHBondContact CA-O 3.47Å; T207-V258 HydrophobicContact CG2-CB 4.24Å; T207-V258 HydrophobicContact CG2-CG1 4.07Å; T207-I260 HydrophobicContact CG2-CD1 4.09Å; T207-I260 HydrophobicContact CG2-CG1 3.94Å; T207-I260 HydrophobicContact CG2-CG2 3.96Å
208A98.9Very high95.3Very high0 Ų036 Ų360%022%0.217CC..EExtended strand (participates in β ladder)trans-75.2105.1173.800000110.7V184 C186 P211 V257 V258 I260V184-A208 WeakPolarHBondContact O-CA 3.41Å; C186-A208 HydrophobicContact CB-CB 3.67Å; A208-P211 HydrophobicContact CB-CB 4.26Å; A208-V257 HydrophobicContact CB-CG1 3.77Å; A208-V258 PolarHBondContact N-O 3.47Å; A208-I260 VanDerWaalsContact O-CG1 3.32Å; A208-I260 WeakPolarHBondContact O-CG1 3.44Å; A208-I260 PolarHBondContact O-N 3.2Å
209Y98.7Very high94.5Very high24 Ų2437.2 Ų37.29%0.09422%0.22CC..EExtended strand (participates in β ladder)trans-81.2160.3158.476.2-116.3000110.1N162 Q183 V184 E185 C186 T207 I298N162-Y209 WeakPolarHBondContact OD1-CE1 3.33Å; N162-Y209 VanDerWaalsContact OD1-CZ 3.3Å; N162-Y209 PolarHBondContact OD1-OH 3.37Å; Q183-Y209 HydrophobicContact CG-CD1 4.12Å; V184-Y209 PolarHBondContact O-N 2.73Å; E185-Y209 VanDerWaalsContact CA-CE2 3.46Å; E185-Y209 HydrophobicContact CB-CD2 4.12Å; E185-Y209 HydrophobicContact CB-CE2 3.38Å; E185-Y209 HydrophobicContact CG-CE2 4Å; C186-Y209 PolarHBondContact N-O 2.96Å; T207-Y209 PolarHBondContact O-N 2.7Å; Y209-I298 HydrophobicContact CD2-CG1 4.36Å; Y209-I298 HydrophobicContact CE2-CB 3.82Å; Y209-I298 HydrophobicContact CE2-CG1 3.73Å; Y209-I298 HydrophobicContact CE2-CG2 4.03Å
210S97.6Very high93.7Very high13 Ų1338.9 Ų38.99%0.09123%0.233CC..SBendtrans48.139.9-173.7-66.40000114.1H187 L212 G213 S214 I298H187-S210 PolarHBondContact CD2-O 3.45Å; S210-L212 PolarHBondContact O-N 3.34Å; S210-G213 PolarHBondContact O-N 2.89Å; S210-S214 VanDerWaalsContact CB-OG 3.27Å; S210-S214 WeakPolarHBondContact CB-OG 3.47Å; S210-S214 PolarHBondContact OG-OG 3.3Å; S210-I298 WeakPolarHBondContact OG-CG1 3.44Å
211P98.1Very high92.8Very high2 Ų235 Ų351%0.01323%0.227CC..THydrogen-bonded Turntrans-62.7-20-172.328-35.9000112.9H187 A208 I248 L249 C259 P261H187-P211 WeakPolarHBondContact CB-O 3.38Å; A208-P211 HydrophobicContact CB-CB 4.26Å; P211-I248 WeakPolarHBondContact O-CG2 3.14Å; P211-L249 HydrophobicContact CB-CD2 4.06Å; P211-L249 HydrophobicContact CG-CD2 3.99Å; P211-C259 HydrophobicContact CB-CB 4.48Å; P211-C259 HydrophobicContact CG-CB 4.42Å; P211-P261 HydrophobicContact CG-CB 4.06Å
212L97.4Very high91.9Very high32 Ų3237.2 Ų37.217%0.16824%0.239CC..THydrogen-bonded Turntrans-10015.9178.2-53.7-177.6000113.3S210 S214 L228 A245 I248 L249 P261S210-L212 PolarHBondContact O-N 3.34Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.43Å; L212-L228 HydrophobicContact CB-CD1 4.49Å; L212-L228 HydrophobicContact CB-CD2 4.45Å; L212-L228 HydrophobicContact CD2-CD2 4.37Å; L212-A245 HydrophobicContact CD1-CB 4.18Å; L212-A245 HydrophobicContact CD2-CB 3.88Å; L212-I248 HydrophobicContact CD2-CB 4.38Å; L212-I248 HydrophobicContact CD2-CD1 4.41Å; L212-I248 HydrophobicContact CD2-CG2 4.46Å; L212-L249 HydrophobicContact CD2-CD1 4.38Å; L212-L249 HydrophobicContact CD2-CD2 4.22Å; L212-L249 HydrophobicContact CD2-CG 3.97Å; L212-P261 HydrophobicContact CD1-CB 3.96Å; L212-P261 HydrophobicContact CG-CB 4.26Å
213G94.3Very high91Very high3 Ų343.6 Ų43.63%0.03127%0.268CS..  trans80.7-0.7173.100000116.3S210 G215 F297S210-G213 PolarHBondContact O-N 2.89Å; G213-G215 VanDerWaalsContact C-N 3.35Å; G213-G215 PolarHBondContact O-N 3.05Å; G213-F297 WeakPolarHBondContact O-CD2 3.45Å
214S90.8Very high90.3Very high18 Ų1843.3 Ų43.313%0.12626%0.256CS..  trans46.950.5174.1-76.40000114.4S210 L212 D216 R217S210-S214 VanDerWaalsContact CB-OG 3.27Å; S210-S214 WeakPolarHBondContact CB-OG 3.47Å; S210-S214 PolarHBondContact OG-OG 3.3Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.43Å; S214-D216 PolarHBondContact O-N 3.49Å; S214-D216 VanDerWaalsContact O-N 3.09Å; S214-R217 WeakPolarHBondContact O-CB 3.27Å; S214-R217 WeakPolarHBondContact O-CD 3.27Å; S214-R217 WeakPolarHBondContact O-CG 3.49Å; S214-R217 PolarHBondContact O-N 2.9Å; S214-R217 VanDerWaalsContact O-N 3.1Å
215G85Confident89.4Confident55 Ų5546.3 Ų46.357%0.56728%0.276SS*.THydrogen-bonded Turntrans-60.8-17.6-179.500000114.8G213G213-G215 VanDerWaalsContact C-N 3.35Å; G213-G215 PolarHBondContact O-N 3.05Å
216D83.3Confident89Confident96 Ų9648.3 Ų48.351%0.51329%0.29SS..THydrogen-bonded Turntrans-92.15.1178.672.3-35000113.6K22 S214K22-D216 VanDerWaalsContact NZ-C 3.31Å; K22-D216 PolarHBondContact NZ-O 3.33Å; K22-D216 IonicContact NZ-OD1 2.73Å; K22-D216 IonicContact NZ-OD2 2.81Å; K22-D216 PolarHBondContact NZ-OD2 3.21Å; S214-D216 PolarHBondContact O-N 3.49Å; S214-D216 VanDerWaalsContact O-N 3.09Å
217R88.4Confident88.7Confident16 Ų1648.2 Ų48.26%0.0629%0.289CS..  trans-64.7150.5-174.968.2-167.2-168.9-69-3.4112.9S214 W219 A220 E224 F297S214-R217 WeakPolarHBondContact O-CB 3.27Å; S214-R217 WeakPolarHBondContact O-CD 3.27Å; S214-R217 WeakPolarHBondContact O-CG 3.49Å; S214-R217 PolarHBondContact O-N 2.9Å; S214-R217 VanDerWaalsContact O-N 3.1Å; R217-W219 PolarHBondContact O-N 3.11Å; R217-A220 HydrophobicContact CG-CB 3.91Å; R217-A220 WeakPolarHBondContact O-CB 3.44Å; R217-A220 PolarHBondContact O-N 2.68Å; R217-A220 VanDerWaalsContact O-N 3.1Å; R217-E224 IonicContact CZ-OE1 2.66Å; R217-E224 IonicContact CZ-OE2 2.58Å; R217-E224 IonicContact NH1-OE1 3.54Å; R217-E224 IonicContact NH1-OE2 3.6Å; R217-E224 PolarHBondContact NH1-OE2 3.29Å; R217-E224 IonicContact NH2-OE1 3.79Å; R217-E224 PolarHBondContact NH2-OE1 3.21Å; R217-E224 IonicContact NH2-OE2 2.86Å; R217-E224 PolarHBondContact NH2-OE2 3.09Å; R217-F297 PolarHBondContact NE-O 2.61Å
218P82.2Confident88.6Confident100 Ų10051.6 Ų51.665%0.64931%0.307SS*.THydrogen-bonded Turntrans-60.7-24.2-168.9-25.134.7000116.1
219W81.8Confident88.4Confident62 Ų6255.1 Ų55.124%0.23534%0.336CS..THydrogen-bonded Turntrans-11014.6-177.956.181.8000113.5W21 R217 F297 I298 K308W21-W219 HydrophobicContact CH2-CH2 4.4Å; R217-W219 PolarHBondContact O-N 3.11Å; W219-F297 PolarHBondContact NE1-O 2.73Å; W219-I298 HydrophobicContact CZ2-CD1 4.34Å; W219-I298 HydrophobicContact CZ2-CG2 4.22Å; W219-K308 PolarHBondContact O-NZ 2.9Å
220A82.8Confident88.2Confident35 Ų3554.4 Ų54.429%0.28933%0.334SS..  trans-61.8140.2172.700000110.5R217R217-A220 HydrophobicContact CG-CB 3.91Å; R217-A220 WeakPolarHBondContact O-CB 3.44Å; R217-A220 PolarHBondContact O-N 2.68Å; R217-A220 VanDerWaalsContact O-N 3.1Å
221S78.8Confident88.2Confident53 Ų5358.9 Ų58.937%0.37136%0.363SS..  trans-92.7141.9170.3179.10000109.6E223 E224S221-E223 PolarHBondContact O-N 3.41Å; S221-E223 VanDerWaalsContact O-N 3.17Å; S221-E223 PolarHBondContact OG-N 3.25Å; S221-E224 VanDerWaalsContact O-CB 3.31Å; S221-E224 WeakPolarHBondContact O-CB 3.45Å; S221-E224 PolarHBondContact O-N 3.23Å
222P79Confident88.1Confident137 Ų13763.8 Ų63.889%0.8938%0.381SS*.THydrogen-bonded Turntrans-56.9-25.9170.7-23.934.2000113.7E224P222-E224 VanDerWaalsContact C-N 3.33Å
223E81.4Confident88.1Confident181 Ų18162.3 Ų62.385%0.84637%0.373SS*.THydrogen-bonded Turntrans-84.4-9.9180-61.9173.3-176.400112.9S221S221-E223 PolarHBondContact O-N 3.41Å; S221-E223 VanDerWaalsContact O-N 3.17Å; S221-E223 PolarHBondContact OG-N 3.25Å
224E82.3Confident88.3Confident54 Ų5463 Ų6325%0.25238%0.381SS..SBendtrans-74.6129.5-177.7-170.6178.7-155.600110.9R217 S221 P222 S226 F297R217-E224 IonicContact CZ-OE1 2.66Å; R217-E224 IonicContact CZ-OE2 2.58Å; R217-E224 IonicContact NH1-OE1 3.54Å; R217-E224 IonicContact NH1-OE2 3.6Å; R217-E224 PolarHBondContact NH1-OE2 3.29Å; R217-E224 IonicContact NH2-OE1 3.79Å; R217-E224 PolarHBondContact NH2-OE1 3.21Å; R217-E224 IonicContact NH2-OE2 2.86Å; R217-E224 PolarHBondContact NH2-OE2 3.09Å; S221-E224 VanDerWaalsContact O-CB 3.31Å; S221-E224 WeakPolarHBondContact O-CB 3.45Å; S221-E224 PolarHBondContact O-N 3.23Å; P222-E224 VanDerWaalsContact C-N 3.33Å; E224-S226 PolarHBondContact O-N 3Å; E224-F297 HydrophobicContact CG-CE1 4.25Å; E224-F297 WeakPolarHBondContact OE1-CD1 3.3Å; E224-F297 WeakPolarHBondContact OE1-CE1 3.46Å
225P80.9Confident88.6Confident67 Ų6764.6 Ų64.644%0.43540%0.395SS..PPolyproline II helixtrans-64.2121.6-178.424.6-34.6000111.4L227P225-L227 PolarHBondContact O-N 3.21Å
226S89.8Confident89.3Confident61 Ų6162 Ų6243%0.42737%0.368SS..PPolyproline II helixtrans-68.6122.6173.2174.20000110.6E224 L228 A229 D230E224-S226 PolarHBondContact O-N 3Å; S226-L228 PolarHBondContact O-N 3.1Å; S226-L228 PolarHBondContact OG-N 2.65Å; S226-A229 PolarHBondContact O-N 3.32Å; S226-D230 PolarHBondContact O-N 2.89Å
227L93.3Very high90Very high3 Ų357.6 Ų57.62%0.01635%0.345CS..G310 helixtrans-56.7-39.5175.117666.3000112H187 P188 Y189 P225 A229 D230 L233 I248H187-L227 HydrophobicContact CB-CD2 3.72Å; P188-L227 HydrophobicContact CB-CD1 4.11Å; P188-L227 HydrophobicContact CG-CD1 4.23Å; Y189-L227 HydrophobicContact CD1-CD1 4.22Å; Y189-L227 HydrophobicContact CD2-CB 4.21Å; Y189-L227 HydrophobicContact CD2-CD1 3.78Å; Y189-L227 HydrophobicContact CE1-CD1 4.2Å; Y189-L227 HydrophobicContact CE2-CB 3.99Å; Y189-L227 HydrophobicContact CE2-CD1 3.76Å; Y189-L227 HydrophobicContact CE2-CG 4.5Å; Y189-L227 HydrophobicContact CG-CD1 4.04Å; P225-L227 PolarHBondContact O-N 3.21Å; L227-A229 PolarHBondContact O-N 2.84Å; L227-D230 PolarHBondContact O-N 2.94Å; L227-L233 HydrophobicContact CD1-CD1 3.74Å; L227-L233 HydrophobicContact CG-CD1 4.24Å; L227-L233 VanDerWaalsContact O-CD1 3.3Å; L227-L233 WeakPolarHBondContact O-CD1 3.25Å; L227-I248 HydrophobicContact CD2-CD1 3.94Å; L227-I248 HydrophobicContact CG-CD1 3.87Å
228L95.3Very high90.5Very high72 Ų7264.2 Ų64.238%0.37738%0.377SS..G310 helixtrans-68.5-15.1179.3-70.7172000113.4L212 S226 P244 A245 I248L212-L228 HydrophobicContact CB-CD1 4.49Å; L212-L228 HydrophobicContact CB-CD2 4.45Å; L212-L228 HydrophobicContact CD2-CD2 4.37Å; S226-L228 PolarHBondContact O-N 3.1Å; S226-L228 PolarHBondContact OG-N 2.65Å; L228-P244 HydrophobicContact CD2-CB 4.44Å; L228-A245 HydrophobicContact CD2-CB 3.89Å; L228-I248 HydrophobicContact CD2-CD1 3.86Å
229A95Very high91.2Very high74 Ų7466 Ų6661%0.61237%0.37SS*.G310 helixtrans-106.19.5179.100000113.1S226 L227 P231S226-A229 PolarHBondContact O-N 3.32Å; L227-A229 PolarHBondContact O-N 2.84Å; A229-P231 WeakPolarHBondContact O-CD 3.45Å
230D95.4Very high92Very high8 Ų865.6 Ų65.64%0.04337%0.369CS..  trans-63.8118.5174.1-171.5-45.5000109.2Y189 S226 L227 R232 L233 G234Y189-D230 PolarHBondContact OH-OD2 3.09Å; S226-D230 PolarHBondContact O-N 2.89Å; L227-D230 PolarHBondContact O-N 2.94Å; D230-R232 PolarHBondContact O-N 3.42Å; D230-R232 VanDerWaalsContact O-N 3.14Å; D230-R232 WeakPolarHBondContact OD1-CA 3.36Å; D230-R232 WeakPolarHBondContact OD1-CB 3.17Å; D230-R232 WeakPolarHBondContact OD1-CG 3.48Å; D230-R232 IonicContact OD1-CZ 3.4Å; D230-R232 PolarHBondContact OD1-N 2.71Å; D230-R232 IonicContact OD1-NE 3.28Å; D230-R232 PolarHBondContact OD1-NE 3.46Å; D230-R232 IonicContact OD1-NH2 3.88Å; D230-R232 IonicContact OD2-CZ 3.53Å; D230-R232 IonicContact OD2-NE 2.63Å; D230-R232 PolarHBondContact OD2-NE 3Å; D230-R232 IonicContact OD2-NH2 2.73Å; D230-R232 PolarHBondContact OD2-NH2 3.38Å; D230-L233 HydrophobicContact CB-CB 4.28Å; D230-L233 HydrophobicContact CB-CD1 4.06Å; D230-L233 HydrophobicContact CB-CG 4.24Å; D230-L233 WeakPolarHBondContact O-CB 3.3Å; D230-L233 PolarHBondContact O-N 3.36Å; D230-G234 PolarHBondContact O-N 2.73Å
231P96.4Very high92.7Very high107 Ų10772.7 Ų72.770%0.69540%0.396SS*.Hα-helixtrans-61.7-25.8-176.324.6-34.2000112.5A229 G234 A235A229-P231 WeakPolarHBondContact O-CD 3.45Å; P231-G234 PolarHBondContact O-N 2.85Å; P231-A235 PolarHBondContact O-N 2.79Å
232R97.3Very high93.7Very high106 Ų10672.1 Ų72.140%0.439%0.387SS..Hα-helixtrans-69.1-38.3175.7-53.1171.8-68.5175.70110.9D230 I236 F291D230-R232 PolarHBondContact O-N 3.42Å; D230-R232 VanDerWaalsContact O-N 3.14Å; D230-R232 WeakPolarHBondContact OD1-CA 3.36Å; D230-R232 WeakPolarHBondContact OD1-CB 3.17Å; D230-R232 WeakPolarHBondContact OD1-CG 3.48Å; D230-R232 IonicContact OD1-CZ 3.4Å; D230-R232 PolarHBondContact OD1-N 2.71Å; D230-R232 IonicContact OD1-NE 3.28Å; D230-R232 PolarHBondContact OD1-NE 3.46Å; D230-R232 IonicContact OD1-NH2 3.88Å; D230-R232 IonicContact OD2-CZ 3.53Å; D230-R232 IonicContact OD2-NE 2.63Å; D230-R232 PolarHBondContact OD2-NE 3Å; D230-R232 IonicContact OD2-NH2 2.73Å; D230-R232 PolarHBondContact OD2-NH2 3.38Å; R232-I236 WeakPolarHBondContact O-CD1 3.35Å; R232-I236 VanDerWaalsContact O-CG1 3.27Å; R232-I236 WeakPolarHBondContact O-CG1 3.39Å; R232-I236 PolarHBondContact O-N 2.68Å; R232-F291 HydrophobicContact CB-CE1 3.95Å; R232-F291 HydrophobicContact CB-CE2 4.02Å; R232-F291 HydrophobicContact CB-CZ 3.4Å; R232-F291 HydrophobicContact CG-CE1 4.45Å; R232-F291 HydrophobicContact CG-CZ 4.35Å
233L97.7Very high94.6Very high0 Ų066.7 Ų66.70%035%0.352CS..Hα-helixtrans-67.9-36.8171.3-74.2171.9000111.5L227 D230 I236 A237 V247 I248 I288 F291L227-L233 HydrophobicContact CD1-CD1 3.74Å; L227-L233 HydrophobicContact CG-CD1 4.24Å; L227-L233 VanDerWaalsContact O-CD1 3.3Å; L227-L233 WeakPolarHBondContact O-CD1 3.25Å; D230-L233 HydrophobicContact CB-CB 4.28Å; D230-L233 HydrophobicContact CB-CD1 4.06Å; D230-L233 HydrophobicContact CB-CG 4.24Å; D230-L233 WeakPolarHBondContact O-CB 3.3Å; D230-L233 PolarHBondContact O-N 3.36Å; L233-I236 HydrophobicContact CD2-CD1 4.44Å; L233-I236 PolarHBondContact O-N 3.34Å; L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 3.04Å; L233-A237 PolarHBondContact O-N 3.12Å; L233-V247 HydrophobicContact CD2-CG1 4.03Å; L233-I248 HydrophobicContact CD1-CD1 3.9Å; L233-I248 HydrophobicContact CD1-CG1 3.83Å; L233-I248 HydrophobicContact CD2-CG1 4.15Å; L233-I288 HydrophobicContact CD2-CG1 4.29Å; L233-F291 HydrophobicContact CD2-CD2 4.31Å; L233-F291 HydrophobicContact CD2-CE2 3.82Å; L233-F291 HydrophobicContact CG-CD2 4.25Å; L233-F291 HydrophobicContact CG-CE2 3.81Å
234G97.8Very high95.4Very high19 Ų1959.8 Ų59.820%0.19632%0.323CS..Hα-helixtrans-57.4-50.3172.100000112.7D230 P231 I236 A237 E238D230-G234 PolarHBondContact O-N 2.73Å; P231-G234 PolarHBondContact O-N 2.85Å; G234-I236 VanDerWaalsContact C-N 3.29Å; G234-I236 PolarHBondContact O-N 3.25Å; G234-A237 WeakPolarHBondContact O-CB 3.5Å; G234-A237 PolarHBondContact O-N 2.87Å; G234-A237 VanDerWaalsContact O-N 3.09Å; G234-E238 WeakPolarHBondContact O-CG 3.42Å; G234-E238 PolarHBondContact O-N 3.06Å
235A97.9Very high96.1Very high50 Ų5057.7 Ų57.741%0.41332%0.315SS..Hα-helixtrans-63.4-32.2178.200000113.3P231 R239P231-A235 PolarHBondContact O-N 2.79Å; A235-R239 PolarHBondContact O-NE 2.95Å
236I98.4Very high97Very high1 Ų155.2 Ų55.21%0.00530%0.298CS..Hα-helixtrans-68.8-49170.9-61161.7000109.7R232 L233 G234 E238 R239 Y240 V247 L280 L287 I288 F291R232-I236 WeakPolarHBondContact O-CD1 3.35Å; R232-I236 VanDerWaalsContact O-CG1 3.27Å; R232-I236 WeakPolarHBondContact O-CG1 3.39Å; R232-I236 PolarHBondContact O-N 2.68Å; L233-I236 HydrophobicContact CD2-CD1 4.44Å; L233-I236 PolarHBondContact O-N 3.34Å; G234-I236 VanDerWaalsContact C-N 3.29Å; G234-I236 PolarHBondContact O-N 3.25Å; I236-E238 VanDerWaalsContact C-N 3.31Å; I236-E238 PolarHBondContact O-N 3.33Å; I236-R239 VanDerWaalsContact CG1-NH2 3.26Å; I236-R239 PolarHBondContact O-N 2.84Å; I236-R239 VanDerWaalsContact O-N 3.14Å; I236-Y240 HydrophobicContact CG2-CD2 3.96Å; I236-Y240 HydrophobicContact CG2-CE2 3.88Å; I236-Y240 VanDerWaalsContact O-CD2 3.26Å; I236-Y240 WeakPolarHBondContact O-CD2 3.36Å; I236-Y240 PolarHBondContact O-N 2.63Å; I236-V247 HydrophobicContact CB-CG1 4.23Å; I236-V247 HydrophobicContact CG2-CG1 3.67Å; I236-V247 HydrophobicContact CG2-CG2 4.19Å; I236-L280 HydrophobicContact CG2-CD2 4.01Å; I236-L287 HydrophobicContact CD1-CD2 4.09Å; I236-L287 HydrophobicContact CD1-CG 4.48Å; I236-L287 HydrophobicContact CG1-CD2 4.26Å; I236-I288 HydrophobicContact CD1-CD1 4.03Å; I236-I288 HydrophobicContact CD1-CG1 3.53Å; I236-F291 HydrophobicContact CD1-CE2 4.29Å; I236-F291 HydrophobicContact CD1-CZ 4.14Å
237A98.3Very high97.4Very high4 Ų452.3 Ų52.33%0.03328%0.278CS..Hα-helixtrans-55.2-42.9-179.500000113L233 G234 R239 Y240 Q241 K242 P244 V247L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 3.04Å; L233-A237 PolarHBondContact O-N 3.12Å; G234-A237 WeakPolarHBondContact O-CB 3.5Å; G234-A237 PolarHBondContact O-N 2.87Å; G234-A237 VanDerWaalsContact O-N 3.09Å; A237-R239 PolarHBondContact O-N 3.14Å; A237-Y240 PolarHBondContact O-N 3.22Å; A237-Q241 PolarHBondContact O-N 3.14Å; A237-K242 VanDerWaalsContact CB-O 3.29Å; A237-K242 WeakPolarHBondContact CB-O 3.27Å; A237-K242 PolarHBondContact O-N 3.24Å; A237-P244 HydrophobicContact CB-CG 4.26Å; A237-V247 HydrophobicContact CB-CG2 3.84Å
238E98.2Very high97.7Very high155 Ų15552.2 Ų52.272%0.72428%0.277SS*.Hα-helixtrans-58.2-44.8176-74.2173.9-174.600112.6G234 I236 Y240 Q241G234-E238 WeakPolarHBondContact O-CG 3.42Å; G234-E238 PolarHBondContact O-N 3.06Å; I236-E238 VanDerWaalsContact C-N 3.31Å; I236-E238 PolarHBondContact O-N 3.33Å; E238-Y240 PolarHBondContact O-N 3.26Å; E238-Q241 PolarHBondContact O-N 2.96Å; E238-Q241 VanDerWaalsContact O-N 3.14Å
239R97.6Very high97.9Very high136 Ų13648.8 Ų48.851%0.51326%0.259SS..Hα-helixtrans-61.2-30179.4-72.3-176.4-71.7152.7-1.9113.5A235 I236 A237 D284A235-R239 PolarHBondContact O-NE 2.95Å; I236-R239 VanDerWaalsContact CG1-NH2 3.26Å; I236-R239 PolarHBondContact O-N 2.84Å; I236-R239 VanDerWaalsContact O-N 3.14Å; A237-R239 PolarHBondContact O-N 3.14Å; R239-D284 IonicContact CZ-OD1 3.92Å; R239-D284 IonicContact CZ-OD2 3.28Å; R239-D284 IonicContact NH1-OD1 3.33Å; R239-D284 PolarHBondContact NH1-OD1 2.89Å; R239-D284 IonicContact NH1-OD2 3.51Å; R239-D284 PolarHBondContact NH1-OD2 3.34Å; R239-D284 IonicContact NH2-OD1 3.61Å; R239-D284 PolarHBondContact NH2-OD1 3.46Å; R239-D284 IonicContact NH2-OD2 2.7Å
240Y98.2Very high98Very high54 Ų5445.3 Ų45.321%0.21223%0.23CC..Hα-helixtrans-98.8-2.6179.5-66.9-77.4000113.7I236 A237 E238 K242 F278 S279 L280 S281 D284I236-Y240 HydrophobicContact CG2-CD2 3.96Å; I236-Y240 HydrophobicContact CG2-CE2 3.88Å; I236-Y240 VanDerWaalsContact O-CD2 3.26Å; I236-Y240 WeakPolarHBondContact O-CD2 3.36Å; I236-Y240 PolarHBondContact O-N 2.63Å; A237-Y240 PolarHBondContact O-N 3.22Å; E238-Y240 PolarHBondContact O-N 3.26Å; Y240-K242 VanDerWaalsContact C-N 3.26Å; Y240-K242 WeakPolarHBondContact O-CG 3.42Å; Y240-K242 PolarHBondContact O-N 3.34Å; Y240-F278 AromaticContact CD1-CD2 3.79Å; Y240-F278 HydrophobicContact CD1-CD2 3.79Å; Y240-F278 HydrophobicContact CD1-CE2 4.47Å; Y240-F278 HydrophobicContact CE1-CD2 4.49Å; Y240-F278 AromaticContact CG-CD2 3.94Å; Y240-F278 HydrophobicContact CG-CD2 3.94Å; Y240-F278 HydrophobicContact CG-CE2 4.22Å; Y240-S279 WeakPolarHBondContact CE1-O 3.3Å; Y240-L280 HydrophobicContact CD2-CD2 3.87Å; Y240-L280 HydrophobicContact CE2-CD2 3.53Å; Y240-S281 PolarHBondContact OH-N 3.34Å; Y240-D284 WeakPolarHBondContact CE2-OD2 3.44Å; Y240-D284 PolarHBondContact OH-OD2 3.25Å
241Q98.1Very high98.2Very high184 Ų18444.9 Ų44.986%0.8623%0.228SC*.THydrogen-bonded Turntrans53.744.3-171.1-56.4177.9-13.800111.9A237 E238A237-Q241 PolarHBondContact O-N 3.14Å; E238-Q241 PolarHBondContact O-N 2.96Å; E238-Q241 VanDerWaalsContact O-N 3.14Å
242K98.4Very high98.3Very high41 Ų4139.8 Ų39.818%0.17820%0.195CC..  trans-124.5169.6-178.5-66-65174170.20110.7A237 Y240 Q246 D277 F278A237-K242 VanDerWaalsContact CB-O 3.29Å; A237-K242 WeakPolarHBondContact CB-O 3.27Å; A237-K242 PolarHBondContact O-N 3.24Å; Y240-K242 VanDerWaalsContact C-N 3.26Å; Y240-K242 WeakPolarHBondContact O-CG 3.42Å; Y240-K242 PolarHBondContact O-N 3.34Å; K242-Q246 HydrophobicContact CB-CB 4.04Å; K242-Q246 VanDerWaalsContact CD-OE1 3.27Å; K242-D277 IonicContact NZ-OD1 2.68Å; K242-D277 PolarHBondContact NZ-OD1 3.22Å; K242-D277 IonicContact NZ-OD2 3.11Å; K242-D277 PolarHBondContact NZ-OD2 3.03Å; K242-F278 HydrophobicContact CB-CZ 4.38Å; K242-F278 HydrophobicContact CD-CD1 4.06Å; K242-F278 HydrophobicContact CD-CE1 3.96Å; K242-F278 HydrophobicContact CD-CZ 4.45Å; K242-F278 HydrophobicContact CG-CD1 4.09Å; K242-F278 HydrophobicContact CG-CD2 4.3Å; K242-F278 HydrophobicContact CG-CE1 3.87Å; K242-F278 HydrophobicContact CG-CE2 4.09Å; K242-F278 HydrophobicContact CG-CG 4.29Å; K242-F278 HydrophobicContact CG-CZ 3.86Å
243S98.4Very high98.3Very high23 Ų2335.2 Ų35.216%0.16118%0.179CC..  trans-82158169.776.50000111.6A245 Q246 V247 E271S243-A245 PolarHBondContact O-N 3.33Å; S243-A245 PolarHBondContact OG-N 2.91Å; S243-Q246 PolarHBondContact O-N 3.19Å; S243-Q246 VanDerWaalsContact O-N 3.09Å; S243-Q246 PolarHBondContact OG-N 3.28Å; S243-V247 PolarHBondContact O-N 3.03Å; S243-E271 VanDerWaalsContact CB-OE1 3.23Å; S243-E271 WeakPolarHBondContact CB-OE1 3.4Å; S243-E271 PolarHBondContact OG-OE1 3.28Å
244P98.3Very high98.3Very high36 Ų3637.7 Ų37.723%0.23419%0.19CC..Hα-helixtrans-54.3-35.2170-28.236.2000112.9L228 A237 V247 I248L228-P244 HydrophobicContact CD2-CB 4.44Å; A237-P244 HydrophobicContact CB-CG 4.26Å; P244-V247 PolarHBondContact O-N 2.87Å; P244-I248 WeakPolarHBondContact O-CD1 3.45Å; P244-I248 VanDerWaalsContact O-CG1 3.25Å; P244-I248 WeakPolarHBondContact O-CG1 3.38Å; P244-I248 PolarHBondContact O-N 3.22Å
245A98.4Very high98.3Very high11 Ų1138.7 Ų38.79%0.09119%0.188CC..Hα-helixtrans-62.5-45.6176.300000111.5L212 L228 S243 V247 I248 L249L212-A245 HydrophobicContact CD1-CB 4.18Å; L212-A245 HydrophobicContact CD2-CB 3.88Å; L228-A245 HydrophobicContact CD2-CB 3.89Å; S243-A245 PolarHBondContact O-N 3.33Å; S243-A245 PolarHBondContact OG-N 2.91Å; A245-V247 PolarHBondContact O-N 2.99Å; A245-I248 PolarHBondContact O-N 3.21Å; A245-L249 WeakPolarHBondContact O-CB 3.34Å; A245-L249 VanDerWaalsContact O-CG 3.22Å; A245-L249 WeakPolarHBondContact O-CG 3.49Å; A245-L249 PolarHBondContact O-N 3.24Å
246Q98.8Very high98.2Very high15 Ų1538 Ų387%0.0719%0.186CC..Hα-helixtrans-63.7-38.5176.3-72.7174.7-45.600112.3K242 S243 R250 E271 R274 V275 F278K242-Q246 HydrophobicContact CB-CB 4.04Å; K242-Q246 VanDerWaalsContact CD-OE1 3.27Å; S243-Q246 PolarHBondContact O-N 3.19Å; S243-Q246 VanDerWaalsContact O-N 3.09Å; S243-Q246 PolarHBondContact OG-N 3.28Å; Q246-R250 WeakPolarHBondContact O-CB 3.47Å; Q246-R250 PolarHBondContact O-N 3.21Å; Q246-E271 HydrophobicContact CG-CG 3.81Å; Q246-E271 PolarHBondContact NE2-O 3Å; Q246-E271 VanDerWaalsContact NE2-O 3.11Å; Q246-R274 PolarHBondContact NE2-O 3.27Å; Q246-V275 HydrophobicContact CB-CG1 4.24Å; Q246-V275 HydrophobicContact CG-CG1 4.26Å; Q246-F278 HydrophobicContact CB-CE1 4.45Å; Q246-F278 HydrophobicContact CB-CZ 4.39Å
247V98.8Very high98.2Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-62-47.2175.4171.60000111.2L233 I236 A237 S243 P244 A245 R250 W251 L280 I288L233-V247 HydrophobicContact CD2-CG1 4.03Å; I236-V247 HydrophobicContact CB-CG1 4.23Å; I236-V247 HydrophobicContact CG2-CG1 3.67Å; I236-V247 HydrophobicContact CG2-CG2 4.19Å; A237-V247 HydrophobicContact CB-CG2 3.84Å; S243-V247 PolarHBondContact O-N 3.03Å; P244-V247 PolarHBondContact O-N 2.87Å; A245-V247 PolarHBondContact O-N 2.99Å; V247-R250 PolarHBondContact O-N 3.44Å; V247-W251 WeakPolarHBondContact O-CB 3.47Å; V247-W251 PolarHBondContact O-N 2.93Å; V247-L280 HydrophobicContact CG1-CD2 4.32Å; V247-I288 HydrophobicContact CG1-CD1 3.82Å
248I98.7Very high98.2Very high0 Ų037.8 Ų37.80%018%0.184CC..Hα-helixtrans-63.5-45.8179.3-63.6159000111.3P188 P211 L212 L227 L228 L233 P244 A245 R250 W251 N252P188-I248 HydrophobicContact CG-CG1 4.22Å; P188-I248 HydrophobicContact CG-CG2 4.21Å; P211-I248 WeakPolarHBondContact O-CG2 3.14Å; L212-I248 HydrophobicContact CD2-CB 4.38Å; L212-I248 HydrophobicContact CD2-CD1 4.41Å; L212-I248 HydrophobicContact CD2-CG2 4.46Å; L227-I248 HydrophobicContact CD2-CD1 3.94Å; L227-I248 HydrophobicContact CG-CD1 3.87Å; L228-I248 HydrophobicContact CD2-CD1 3.86Å; L233-I248 HydrophobicContact CD1-CD1 3.9Å; L233-I248 HydrophobicContact CD1-CG1 3.83Å; L233-I248 HydrophobicContact CD2-CG1 4.15Å; P244-I248 WeakPolarHBondContact O-CD1 3.45Å; P244-I248 VanDerWaalsContact O-CG1 3.25Å; P244-I248 WeakPolarHBondContact O-CG1 3.38Å; P244-I248 PolarHBondContact O-N 3.22Å; A245-I248 PolarHBondContact O-N 3.21Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 2.85Å; I248-W251 PolarHBondContact O-N 3.14Å; I248-N252 PolarHBondContact O-N 2.6Å; I248-N252 PolarHBondContact O-ND2 2.93Å
249L98.8Very high98.3Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-63.3-42.1177.3-68.9172.1000110.6P211 L212 A245 W251 N252 V253 C259 P261 N272 V275P211-L249 HydrophobicContact CB-CD2 4.06Å; P211-L249 HydrophobicContact CG-CD2 3.99Å; L212-L249 HydrophobicContact CD2-CD1 4.38Å; L212-L249 HydrophobicContact CD2-CD2 4.22Å; L212-L249 HydrophobicContact CD2-CG 3.97Å; A245-L249 WeakPolarHBondContact O-CB 3.34Å; A245-L249 VanDerWaalsContact O-CG 3.22Å; A245-L249 WeakPolarHBondContact O-CG 3.49Å; A245-L249 PolarHBondContact O-N 3.24Å; L249-W251 VanDerWaalsContact C-N 3.34Å; L249-W251 PolarHBondContact O-N 3.09Å; L249-N252 PolarHBondContact O-N 3.17Å; L249-V253 WeakPolarHBondContact O-CG1 3.5Å; L249-V253 PolarHBondContact O-N 3.45Å; L249-C259 HydrophobicContact CD2-CB 3.64Å; L249-P261 HydrophobicContact CD1-CB 4.47Å; L249-P261 HydrophobicContact CD1-CG 4.07Å; L249-P261 HydrophobicContact CD2-CB 4.11Å; L249-P261 HydrophobicContact CD2-CG 3.82Å; L249-N272 HydrophobicContact CD1-CB 3.74Å; L249-V275 HydrophobicContact CB-CG1 3.82Å; L249-V275 HydrophobicContact CD1-CG1 4.41Å
250R98.7Very high98.3Very high1 Ų124.3 Ų24.30%0.00413%0.127CC..Hα-helixtrans-60.9-43.1176.9178.864.1-157.5-163.8-16.3112.2M1 Q246 V247 I248 N252 V253 Q254 V275 F278 S279 L280M1-R250 VanDerWaalsContact SD-CZ 3.52Å; M1-R250 PolarHBondContact SD-NH2 3.39Å; Q246-R250 WeakPolarHBondContact O-CB 3.47Å; Q246-R250 PolarHBondContact O-N 3.21Å; V247-R250 PolarHBondContact O-N 3.44Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 2.85Å; R250-N252 VanDerWaalsContact C-N 3.35Å; R250-N252 PolarHBondContact O-N 3.25Å; R250-V253 WeakPolarHBondContact O-CG2 3.29Å; R250-V253 PolarHBondContact O-N 2.91Å; R250-Q254 VanDerWaalsContact NE-OE1 3.08Å; R250-Q254 WeakPolarHBondContact O-CB 3.23Å; R250-Q254 PolarHBondContact O-N 3.36Å; R250-V275 HydrophobicContact CB-CB 4.5Å; R250-V275 WeakPolarHBondContact CD-O 3.4Å; R250-V275 PolarHBondContact NH1-O 3.48Å; R250-F278 HydrophobicContact CB-CE1 3.96Å; R250-F278 HydrophobicContact CB-CE2 3.85Å; R250-F278 HydrophobicContact CB-CZ 3.33Å; R250-F278 HydrophobicContact CG-CD2 4.23Å; R250-F278 HydrophobicContact CG-CE1 4.11Å; R250-F278 HydrophobicContact CG-CE2 3.63Å; R250-F278 HydrophobicContact CG-CZ 3.57Å; R250-F278 PolarHBondContact NE-O 3.44Å; R250-F278 PolarHBondContact NH1-O 3.32Å; R250-F278 PolarHBondContact NH2-O 3.38Å; R250-S279 VanDerWaalsContact NH2-CA 3.3Å; R250-S279 VanDerWaalsContact NH2-CB 3.3Å; R250-S279 PolarHBondContact NH2-OG 3.23Å; R250-L280 HydrophobicContact CB-CD1 4.22Å; R250-L280 HydrophobicContact CB-CG 4.45Å; R250-L280 HydrophobicContact CG-CD1 3.91Å; R250-L280 HydrophobicContact CG-CG 3.75Å
251W98.7Very high98.3Very high0 Ų021.8 Ų21.80%012%0.118CC..Hα-helixtrans-58.5-45.4177.3167.484.8000111.9P188 V247 I248 L249 R255 L280 I285 I288 D289P188-W251 HydrophobicContact CG-CE3 4.31Å; P188-W251 HydrophobicContact CG-CZ3 4.37Å; V247-W251 WeakPolarHBondContact O-CB 3.47Å; V247-W251 PolarHBondContact O-N 2.93Å; I248-W251 PolarHBondContact O-N 3.14Å; L249-W251 VanDerWaalsContact C-N 3.34Å; L249-W251 PolarHBondContact O-N 3.09Å; W251-R255 WeakPolarHBondContact O-CD 3.34Å; W251-R255 WeakPolarHBondContact O-CG 3.41Å; W251-R255 PolarHBondContact O-N 3.22Å; W251-L280 HydrophobicContact CB-CD1 3.78Å; W251-I285 HydrophobicContact CB-CD1 4.45Å; W251-I285 HydrophobicContact CG-CD1 4.4Å; W251-I288 HydrophobicContact CB-CD1 3.99Å; W251-I288 HydrophobicContact CB-CG2 4.35Å; W251-I288 VanDerWaalsContact CD1-CG2 3.46Å; W251-I288 HydrophobicContact CD2-CG2 3.79Å; W251-I288 HydrophobicContact CG-CB 4.24Å; W251-I288 HydrophobicContact CG-CD1 4.18Å; W251-I288 HydrophobicContact CG-CG2 3.64Å; W251-I288 HydrophobicContact CZ2-CG2 4.38Å; W251-D289 WeakPolarHBondContact CZ2-OD1 3.37Å; W251-D289 PolarHBondContact NE1-OD1 3.46Å
252N98.6Very high98.3Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-64.4-52.1175.7-84.4-57.9000112.2C186 I248 L249 R250 Q254 R255 G256 V257 C259C186-N252 PolarHBondContact SG-OD1 3.23Å; I248-N252 PolarHBondContact O-N 2.6Å; I248-N252 PolarHBondContact O-ND2 2.93Å; L249-N252 PolarHBondContact O-N 3.17Å; R250-N252 VanDerWaalsContact C-N 3.35Å; R250-N252 PolarHBondContact O-N 3.25Å; N252-Q254 VanDerWaalsContact C-N 3.28Å; N252-Q254 PolarHBondContact O-N 3.09Å; N252-R255 CarbonylContact O-C 3.55Å; N252-R255 WeakPolarHBondContact O-CA 3.28Å; N252-R255 PolarHBondContact O-N 3.33Å; N252-G256 PolarHBondContact O-N 3.12Å; N252-V257 CarbonylContact C-O 3.54Å; N252-V257 HydrophobicContact CB-CB 4.08Å; N252-V257 HydrophobicContact CB-CG1 4.38Å; N252-V257 WeakPolarHBondContact O-CB 3.42Å; N252-V257 PolarHBondContact O-N 3.42Å; N252-C259 WeakPolarHBondContact CB-SG 3.37Å
253V98.3Very high98.2Very high9 Ų914.6 Ų14.66%0.0558%0.084CC..Hα-helixtrans-64.4-34-176.1-57.20000112.2L15 V16 L249 R250 R255 G256 V275 F276L15-V253 HydrophobicContact CB-CB 4.36Å; L15-V253 HydrophobicContact CB-CG1 4.02Å; L15-V253 HydrophobicContact CD1-CB 4.36Å; L15-V253 HydrophobicContact CD2-CB 4.37Å; V16-V253 HydrophobicContact CG2-CG1 3.93Å; L249-V253 WeakPolarHBondContact O-CG1 3.5Å; L249-V253 PolarHBondContact O-N 3.45Å; R250-V253 WeakPolarHBondContact O-CG2 3.29Å; R250-V253 PolarHBondContact O-N 2.91Å; V253-R255 PolarHBondContact O-N 3.42Å; V253-G256 PolarHBondContact O-N 3.43Å; V253-V275 HydrophobicContact CG2-CG2 4.36Å; V253-F276 HydrophobicContact CG2-CE1 4.46Å
254Q97.9Very high98.1Very high52 Ų5215.8 Ų15.824%0.2439%0.091CC..Hα-helixtrans-69.9-23.6176.9-169.2164.9-71.200112.5M1 R250 N252 G256 L280M1-Q254 HydrophobicContact CE-CG 3.97Å; R250-Q254 VanDerWaalsContact NE-OE1 3.08Å; R250-Q254 WeakPolarHBondContact O-CB 3.23Å; R250-Q254 PolarHBondContact O-N 3.36Å; N252-Q254 VanDerWaalsContact C-N 3.28Å; N252-Q254 PolarHBondContact O-N 3.09Å; Q254-G256 VanDerWaalsContact C-N 3.29Å; Q254-L280 PolarHBondContact NE2-O 3.47Å; Q254-L280 VanDerWaalsContact OE1-N 3.14Å
255R96.4Very high98Very high40 Ų4016.3 Ų16.315%0.1519%0.093CC..THydrogen-bonded Turntrans-89.38.3170.6-65.5165.674-125.11.7112R200 W251 N252 V253 V257 D289R200-R255 PolarHBondContact NH2-O 2.9Å; W251-R255 WeakPolarHBondContact O-CD 3.34Å; W251-R255 WeakPolarHBondContact O-CG 3.41Å; W251-R255 PolarHBondContact O-N 3.22Å; N252-R255 CarbonylContact O-C 3.55Å; N252-R255 WeakPolarHBondContact O-CA 3.28Å; N252-R255 PolarHBondContact O-N 3.33Å; V253-R255 PolarHBondContact O-N 3.42Å; R255-V257 VanDerWaalsContact C-N 3.28Å; R255-V257 HydrophobicContact CB-CG2 4.45Å; R255-V257 PolarHBondContact O-N 2.87Å; R255-D289 IonicContact CZ-OD1 2.73Å; R255-D289 IonicContact NE-OD1 3.85Å
256G96.4Very high97.9Very high36 Ų3618.5 Ų18.537%0.37111%0.112SC..THydrogen-bonded Turntrans71.620.1-179.800000114.2N252 V253 Q254N252-G256 PolarHBondContact O-N 3.12Å; V253-G256 PolarHBondContact O-N 3.43Å; Q254-G256 VanDerWaalsContact C-N 3.29Å
257V98.6Very high97.8Very high0 Ų021.8 Ų21.80%014%0.136CC..  trans-93.4125.8175.4-178.70000108.8L196 V206 A208 N252 R255L196-V257 HydrophobicContact CD1-CG2 3.81Å; L196-V257 HydrophobicContact CD2-CG2 3.81Å; L196-V257 HydrophobicContact CG-CG2 4.49Å; V206-V257 HydrophobicContact CB-CG1 4.42Å; V206-V257 HydrophobicContact CG1-CG1 4.05Å; A208-V257 HydrophobicContact CB-CG1 3.77Å; N252-V257 CarbonylContact C-O 3.54Å; N252-V257 HydrophobicContact CB-CB 4.08Å; N252-V257 HydrophobicContact CB-CG1 4.38Å; N252-V257 WeakPolarHBondContact O-CB 3.42Å; N252-V257 PolarHBondContact O-N 3.42Å; R255-V257 VanDerWaalsContact C-N 3.28Å; R255-V257 HydrophobicContact CB-CG2 4.45Å; R255-V257 PolarHBondContact O-N 2.87Å
258V98.9Very high97.8Very high0 Ų028.3 Ų28.30%016%0.16CC..EExtended strand (participates in β ladder)trans-72.1138.6175.3178.10000109.1V5 M13 P14 L15 V206 T207 A208V5-V258 HydrophobicContact CG2-CG2 3.74Å; M13-V258 HydrophobicContact CE-CG1 4.17Å; M13-V258 HydrophobicContact CG-CG2 4.5Å; M13-V258 HydrophobicContact SD-CG2 4.31Å; P14-V258 WeakPolarHBondContact O-CG1 3.48Å; L15-V258 HydrophobicContact CD2-CG2 4.19Å; L15-V258 CarbonylContact O-C 3.4Å; L15-V258 WeakPolarHBondContact O-CA 3.49Å; V206-V258 PolarHBondContact O-N 2.95Å; T207-V258 CarbonylContact C-O 3.47Å; T207-V258 WeakPolarHBondContact CA-O 3.47Å; T207-V258 HydrophobicContact CG2-CB 4.24Å; T207-V258 HydrophobicContact CG2-CG1 4.07Å; A208-V258 PolarHBondContact N-O 3.47Å
259C98.7Very high97.7Very high0 Ų028.3 Ų28.30%016%0.161CC..EExtended strand (participates in β ladder)trans-115.5139.6179.2-720000111.7L15 V16 G17 P211 L249 N252 P261L15-C259 PolarHBondContact O-N 3.3Å; V16-C259 CarbonylContact C-O 3.41Å; V16-C259 WeakPolarHBondContact CA-O 3.41Å; G17-C259 PolarHBondContact N-O 3Å; P211-C259 HydrophobicContact CB-CB 4.48Å; P211-C259 HydrophobicContact CG-CB 4.42Å; L249-C259 HydrophobicContact CD2-CB 3.64Å; N252-C259 WeakPolarHBondContact CB-SG 3.37Å; C259-P261 VanDerWaalsContact C-CD 3.43Å; C259-P261 WeakPolarHBondContact O-CD 3.32Å
260I98.8Very high97.7Very high8 Ų830.8 Ų30.84%0.04117%0.172CC..  trans-124.661.1175.251.3165000112.3G17 D44 Q183 T207 A208 K262G17-I260 WeakPolarHBondContact O-CA 3.37Å; D44-I260 HydrophobicContact CB-CB 4.18Å; D44-I260 HydrophobicContact CB-CD1 3.85Å; D44-I260 HydrophobicContact CB-CG2 3.93Å; D44-I260 VanDerWaalsContact CG-CD1 3.4Å; Q183-I260 VanDerWaalsContact CD-CD1 3.49Å; Q183-I260 HydrophobicContact CG-CD1 4.28Å; T207-I260 HydrophobicContact CG2-CD1 4.09Å; T207-I260 HydrophobicContact CG2-CG1 3.94Å; T207-I260 HydrophobicContact CG2-CG2 3.96Å; A208-I260 VanDerWaalsContact O-CG1 3.32Å; A208-I260 WeakPolarHBondContact O-CG1 3.44Å; A208-I260 PolarHBondContact O-N 3.2Å; I260-K262 PolarHBondContact O-N 2.97Å
261P98.2Very high97.7Very high2 Ų234 Ų341%0.01319%0.187CC..  trans-61.1131.4178.428-35.7000110.7V16 G17 G19 P211 L212 L249 C259 N272V16-P261 HydrophobicContact CG1-CG 4.49Å; G17-P261 WeakPolarHBondContact O-CD 3.46Å; G19-P261 PolarHBondContact N-O 2.9Å; P211-P261 HydrophobicContact CG-CB 4.06Å; L212-P261 HydrophobicContact CD1-CB 3.96Å; L212-P261 HydrophobicContact CG-CB 4.26Å; L249-P261 HydrophobicContact CD1-CB 4.47Å; L249-P261 HydrophobicContact CD1-CG 4.07Å; L249-P261 HydrophobicContact CD2-CB 4.11Å; L249-P261 HydrophobicContact CD2-CG 3.82Å; C259-P261 VanDerWaalsContact C-CD 3.43Å; C259-P261 WeakPolarHBondContact O-CD 3.32Å; P261-N272 HydrophobicContact CG-CB 4.02Å
262K97.1Very high97.6Very high65 Ų6534.3 Ų34.328%0.28319%0.189SC..BIsolated β-bridgetrans-87.2135.7173.2-178.7-101.1-176.1166.80110.6G19 W21 K22 S23 I260G19-K262 WeakPolarHBondContact O-CA 3.34Å; G19-K262 WeakPolarHBondContact O-CB 3.32Å; G19-K262 WeakPolarHBondContact O-CG 3.2Å; W21-K262 WeakPolarHBondContact O-CD 3.47Å; W21-K262 WeakPolarHBondContact O-CE 3.4Å; W21-K262 WeakPolarHBondContact O-CG 3.34Å; K22-K262 PolarHBondContact O-NZ 3.43Å; S23-K262 WeakPolarHBondContact OG-CE 3.39Å; I260-K262 PolarHBondContact O-N 2.97Å
263S96.3Very high97.6Very high8 Ų836 Ų366%0.05620%0.197CC..  trans-154.8148.2166.4178.60000109.4T265 R268S263-T265 PolarHBondContact OG-N 3.41Å; S263-T265 PolarHBondContact OG-O 2.99Å; S263-R268 WeakPolarHBondContact OG-CB 3.24Å
264V96.1Very high97.6Very high48 Ų4843 Ų4329%0.29122%0.223SC..SBendtrans-107.9-1.3166.2-63.70000112S23 Q27 A31S23-V264 WeakPolarHBondContact OG-CG1 3.5Å; Q27-V264 HydrophobicContact CB-CB 4.42Å; Q27-V264 HydrophobicContact CB-CG1 4.09Å; A31-V264 HydrophobicContact CB-CB 4.36Å; A31-V264 HydrophobicContact CB-CG1 4.16Å
265T96.6Very high97.6Very high48 Ų4840.5 Ų40.529%0.29421%0.212SC..  trans-94.4117.3179.9-55.40000109.3S263 S267 R268 I269S263-T265 PolarHBondContact OG-N 3.41Å; S263-T265 PolarHBondContact OG-O 2.99Å; T265-S267 VanDerWaalsContact C-N 3.35Å; T265-S267 PolarHBondContact O-N 2.89Å; T265-R268 HydrophobicContact CG2-CG 4.38Å; T265-R268 PolarHBondContact O-N 2.95Å; T265-R268 VanDerWaalsContact O-N 3.12Å; T265-R268 PolarHBondContact OG1-NH2 2.68Å; T265-I269 WeakPolarHBondContact O-CG1 3.46Å; T265-I269 PolarHBondContact O-N 2.88Å
266A96.2Very high97.7Very high57 Ų5741 Ų4147%0.47122%0.215SC..Hα-helixtrans-54.1-45-173.900000113.3A34 R268 I269 Q270A34-A266 HydrophobicContact CB-CB 4.37Å; A266-R268 PolarHBondContact O-N 2.77Å; A266-I269 WeakPolarHBondContact O-CB 3.18Å; A266-I269 PolarHBondContact O-N 3.06Å; A266-Q270 WeakPolarHBondContact O-CG 3.25Å; A266-Q270 PolarHBondContact O-N 2.75Å
267S97.6Very high97.7Very high83 Ų8344.5 Ų44.558%0.5823%0.225SC*.Hα-helixtrans-59.7-45.2178.255.60000112.5T265 Q270 E271T265-S267 VanDerWaalsContact C-N 3.35Å; T265-S267 PolarHBondContact O-N 2.89Å; S267-Q270 PolarHBondContact O-N 2.99Å; S267-E271 WeakPolarHBondContact O-CB 3.4Å; S267-E271 PolarHBondContact O-N 2.71Å
268R97.6Very high97.7Very high137 Ų13745.7 Ų45.752%0.51723%0.23SC..Hα-helixtrans-65.8-36.2175.8-69.9-169.1-71.6-136.50.9112.7S263 T265 A266 E271 N272S263-R268 WeakPolarHBondContact OG-CB 3.24Å; T265-R268 HydrophobicContact CG2-CG 4.38Å; T265-R268 PolarHBondContact O-N 2.95Å; T265-R268 VanDerWaalsContact O-N 3.12Å; T265-R268 PolarHBondContact OG1-NH2 2.68Å; A266-R268 PolarHBondContact O-N 2.77Å; R268-E271 PolarHBondContact O-N 3.28Å; R268-N272 VanDerWaalsContact O-CB 3.28Å; R268-N272 WeakPolarHBondContact O-CB 3.25Å; R268-N272 PolarHBondContact O-N 2.73Å; R268-N272 PolarHBondContact O-ND2 3.02Å
269I98.2Very high97.6Very high1 Ų148.9 Ų48.91%0.00525%0.252CS..Hα-helixtrans-60-49.4173.9-67.8167.9000109.5L18 A31 A34 A35 Y40 T265 A266 N272L18-I269 HydrophobicContact CD1-CG1 4.28Å; A31-I269 HydrophobicContact CB-CD1 4.04Å; A34-I269 HydrophobicContact CB-CD1 4.25Å; A35-I269 HydrophobicContact CB-CG2 3.78Å; Y40-I269 HydrophobicContact CD2-CG2 4.16Å; Y40-I269 HydrophobicContact CE2-CG2 3.62Å; Y40-I269 VanDerWaalsContact CE2-O 3.32Å; Y40-I269 WeakPolarHBondContact CE2-O 3.44Å; Y40-I269 PolarHBondContact OH-O 3.25Å; Y40-I269 VanDerWaalsContact OH-O 3.05Å; T265-I269 WeakPolarHBondContact O-CG1 3.46Å; T265-I269 PolarHBondContact O-N 2.88Å; A266-I269 WeakPolarHBondContact O-CB 3.18Å; A266-I269 PolarHBondContact O-N 3.06Å; I269-N272 PolarHBondContact O-N 2.95Å
270Q97.9Very high97.6Very high52 Ų5249.1 Ų49.124%0.24325%0.254CS..Hα-helixtrans-64.1-42.6177.5-60.6-52.3-44.600112.4A34 G38 A266 S267 N272 L273 R274A34-Q270 PolarHBondContact O-NE2 3.36Å; G38-Q270 VanDerWaalsContact CA-NE2 3.29Å; G38-Q270 VanDerWaalsContact CA-OE1 3.22Å; A266-Q270 WeakPolarHBondContact O-CG 3.25Å; A266-Q270 PolarHBondContact O-N 2.75Å; S267-Q270 PolarHBondContact O-N 2.99Å; Q270-N272 VanDerWaalsContact C-N 3.35Å; Q270-N272 PolarHBondContact O-N 2.69Å; Q270-L273 PolarHBondContact O-N 3.15Å; Q270-R274 WeakPolarHBondContact O-CG 3.41Å; Q270-R274 PolarHBondContact O-N 3.2Å
271E97.9Very high97.6Very high69 Ų6950.5 Ų50.532%0.32226%0.264SS..Hα-helixtrans-59.7-44.8179.2-174-176.6107.500111.8S243 Q246 S267 R268 L273 R274S243-E271 VanDerWaalsContact CB-OE1 3.23Å; S243-E271 WeakPolarHBondContact CB-OE1 3.4Å; S243-E271 PolarHBondContact OG-OE1 3.28Å; Q246-E271 HydrophobicContact CG-CG 3.81Å; Q246-E271 PolarHBondContact NE2-O 3Å; Q246-E271 VanDerWaalsContact NE2-O 3.11Å; S267-E271 WeakPolarHBondContact O-CB 3.4Å; S267-E271 PolarHBondContact O-N 2.71Å; R268-E271 PolarHBondContact O-N 3.28Å; E271-L273 PolarHBondContact O-N 3.32Å; E271-R274 PolarHBondContact O-N 3.1Å
272N98.4Very high97.6Very high5 Ų554.8 Ų54.83%0.02729%0.292CS..Hα-helixtrans-64.2-22-178.8-73.8-16.4000113.6Y40 L249 P261 R268 I269 Q270Y40-N272 WeakPolarHBondContact OH-CB 3.39Å; L249-N272 HydrophobicContact CD1-CB 3.74Å; P261-N272 HydrophobicContact CG-CB 4.02Å; R268-N272 VanDerWaalsContact O-CB 3.28Å; R268-N272 WeakPolarHBondContact O-CB 3.25Å; R268-N272 PolarHBondContact O-N 2.73Å; R268-N272 PolarHBondContact O-ND2 3.02Å; I269-N272 PolarHBondContact O-N 2.95Å; Q270-N272 VanDerWaalsContact C-N 3.35Å; Q270-N272 PolarHBondContact O-N 2.69Å
273L97.8Very high97.6Very high35 Ų3557.9 Ų57.918%0.18331%0.307CS..Hα-helixtrans-84.7-22.1175.4-166.862.8000112.9V16 G38 Y40 Q270 E271 V275 F276V16-L273 HydrophobicContact CB-CD1 4.09Å; V16-L273 HydrophobicContact CG1-CD1 4.11Å; G38-L273 VanDerWaalsContact O-CD2 3.24Å; G38-L273 WeakPolarHBondContact O-CD2 3.37Å; Y40-L273 HydrophobicContact CD1-CD1 4.47Å; Y40-L273 HydrophobicContact CD2-CB 4.34Å; Y40-L273 HydrophobicContact CD2-CD1 4.25Å; Y40-L273 HydrophobicContact CD2-CD2 3.77Å; Y40-L273 HydrophobicContact CD2-CG 4.34Å; Y40-L273 HydrophobicContact CE1-CD1 4.34Å; Y40-L273 HydrophobicContact CE2-CB 3.63Å; Y40-L273 HydrophobicContact CE2-CD1 4.11Å; Y40-L273 HydrophobicContact CE2-CD2 3.93Å; Y40-L273 HydrophobicContact CE2-CG 4.09Å; Y40-L273 HydrophobicContact CG-CD1 4.41Å; Y40-L273 HydrophobicContact CG-CD2 4.47Å; Q270-L273 PolarHBondContact O-N 3.15Å; E271-L273 PolarHBondContact O-N 3.32Å; L273-V275 PolarHBondContact O-N 3.42Å; L273-F276 WeakPolarHBondContact O-CD2 3.37Å
274R97.7Very high97.8Very high157 Ų15757.7 Ų57.759%0.59231%0.306SS*.  trans-83.160.9-177.7-65.9176.6-173.1-174.91.2111.7Q246 Q270 E271Q246-R274 PolarHBondContact NE2-O 3.27Å; Q270-R274 WeakPolarHBondContact O-CG 3.41Å; Q270-R274 PolarHBondContact O-N 3.2Å; E271-R274 PolarHBondContact O-N 3.1Å
275V98.3Very high97.9Very high0 Ų056.5 Ų56.50%030%0.297CS..  trans-121.49.2-178.6-59.80000113.1V16 Q246 L249 R250 V253 L273 F278V16-V275 HydrophobicContact CG2-CG2 3.79Å; Q246-V275 HydrophobicContact CB-CG1 4.24Å; Q246-V275 HydrophobicContact CG-CG1 4.26Å; L249-V275 HydrophobicContact CB-CG1 3.82Å; L249-V275 HydrophobicContact CD1-CG1 4.41Å; R250-V275 HydrophobicContact CB-CB 4.5Å; R250-V275 WeakPolarHBondContact CD-O 3.4Å; R250-V275 PolarHBondContact NH1-O 3.48Å; V253-V275 HydrophobicContact CG2-CG2 4.36Å; L273-V275 PolarHBondContact O-N 3.42Å; V275-F278 HydrophobicContact CB-CE1 4.5Å
276F97.9Very high97.9Very high51 Ų5161.7 Ų61.722%0.22431%0.311CS..SBendtrans-108.7-6.4-178.6-58.3-73.2000113.3T3 L15 V16 V253 L273T3-F276 HydrophobicContact CG2-CB 4.47Å; T3-F276 HydrophobicContact CG2-CD1 4.05Å; T3-F276 HydrophobicContact CG2-CD2 4.07Å; T3-F276 HydrophobicContact CG2-CE1 4.28Å; T3-F276 HydrophobicContact CG2-CE2 4.3Å; T3-F276 HydrophobicContact CG2-CG 3.94Å; T3-F276 HydrophobicContact CG2-CZ 4.39Å; L15-F276 HydrophobicContact CB-CE1 4.1Å; L15-F276 HydrophobicContact CB-CZ 3.95Å; L15-F276 HydrophobicContact CD1-CE1 4.13Å; V16-F276 HydrophobicContact CG2-CE2 4.07Å; V16-F276 HydrophobicContact CG2-CZ 3.85Å; V253-F276 HydrophobicContact CG2-CE1 4.46Å; L273-F276 WeakPolarHBondContact O-CD2 3.37Å
277D96.7Very high98Very high109 Ų10962.2 Ų62.258%0.58331%0.306SS*.SBendtrans-94.80.5-177.466-31.6000113.9K242K242-D277 IonicContact NZ-OD1 2.68Å; K242-D277 PolarHBondContact NZ-OD1 3.22Å; K242-D277 IonicContact NZ-OD2 3.11Å; K242-D277 PolarHBondContact NZ-OD2 3.03Å
278F97.9Very high98.1Very high24 Ų2458.3 Ų58.311%0.10528%0.279CS..  trans-142.1166.717376.2-73.3000110.5Y240 K242 Q246 R250 V275 L280Y240-F278 AromaticContact CD1-CD2 3.79Å; Y240-F278 HydrophobicContact CD1-CD2 3.79Å; Y240-F278 HydrophobicContact CD1-CE2 4.47Å; Y240-F278 HydrophobicContact CE1-CD2 4.49Å; Y240-F278 AromaticContact CG-CD2 3.94Å; Y240-F278 HydrophobicContact CG-CD2 3.94Å; Y240-F278 HydrophobicContact CG-CE2 4.22Å; K242-F278 HydrophobicContact CB-CZ 4.38Å; K242-F278 HydrophobicContact CD-CD1 4.06Å; K242-F278 HydrophobicContact CD-CE1 3.96Å; K242-F278 HydrophobicContact CD-CZ 4.45Å; K242-F278 HydrophobicContact CG-CD1 4.09Å; K242-F278 HydrophobicContact CG-CD2 4.3Å; K242-F278 HydrophobicContact CG-CE1 3.87Å; K242-F278 HydrophobicContact CG-CE2 4.09Å; K242-F278 HydrophobicContact CG-CG 4.29Å; K242-F278 HydrophobicContact CG-CZ 3.86Å; Q246-F278 HydrophobicContact CB-CE1 4.45Å; Q246-F278 HydrophobicContact CB-CZ 4.39Å; R250-F278 HydrophobicContact CB-CE1 3.96Å; R250-F278 HydrophobicContact CB-CE2 3.85Å; R250-F278 HydrophobicContact CB-CZ 3.33Å; R250-F278 HydrophobicContact CG-CD2 4.23Å; R250-F278 HydrophobicContact CG-CE1 4.11Å; R250-F278 HydrophobicContact CG-CE2 3.63Å; R250-F278 HydrophobicContact CG-CZ 3.57Å; R250-F278 PolarHBondContact NE-O 3.44Å; R250-F278 PolarHBondContact NH1-O 3.32Å; R250-F278 PolarHBondContact NH2-O 3.38Å; V275-F278 HydrophobicContact CB-CE1 4.5Å; F278-L280 HydrophobicContact CE2-CD2 4.09Å; F278-L280 HydrophobicContact CE2-CG 4.42Å
279S98.1Very high98.1Very high67 Ų6754.4 Ų54.447%0.46927%0.268SS..  trans-134.2139.2175.5-56.30000110.7Y240 R250Y240-S279 WeakPolarHBondContact CE1-O 3.3Å; R250-S279 VanDerWaalsContact NH2-CA 3.3Å; R250-S279 VanDerWaalsContact NH2-CB 3.3Å; R250-S279 PolarHBondContact NH2-OG 3.23Å
280L98.4Very high98Very high6 Ų658 Ų583%0.03129%0.294CS..  trans-78.6137.3173.8-65.5169.8000109I236 Y240 V247 R250 W251 Q254 F278 D284 I285 I288I236-L280 HydrophobicContact CG2-CD2 4.01Å; Y240-L280 HydrophobicContact CD2-CD2 3.87Å; Y240-L280 HydrophobicContact CE2-CD2 3.53Å; V247-L280 HydrophobicContact CG1-CD2 4.32Å; R250-L280 HydrophobicContact CB-CD1 4.22Å; R250-L280 HydrophobicContact CB-CG 4.45Å; R250-L280 HydrophobicContact CG-CD1 3.91Å; R250-L280 HydrophobicContact CG-CG 3.75Å; W251-L280 HydrophobicContact CB-CD1 3.78Å; Q254-L280 PolarHBondContact NE2-O 3.47Å; Q254-L280 VanDerWaalsContact OE1-N 3.14Å; F278-L280 HydrophobicContact CE2-CD2 4.09Å; F278-L280 HydrophobicContact CE2-CG 4.42Å; L280-D284 HydrophobicContact CB-CB 4.34Å; L280-D284 HydrophobicContact CD2-CB 4.44Å; L280-I285 HydrophobicContact CB-CD1 3.79Å; L280-I285 HydrophobicContact CB-CG1 4.02Å; L280-I285 HydrophobicContact CD1-CD1 3.72Å; L280-I285 HydrophobicContact CG-CD1 4.41Å; L280-I288 HydrophobicContact CD1-CD1 3.83Å
281S98.3Very high98Very high36 Ų3655.8 Ų55.825%0.25228%0.283SS..  trans-62.3157173.473.90000111.2Y240 E283 D284 I285Y240-S281 PolarHBondContact OH-N 3.34Å; S281-E283 PolarHBondContact O-N 3.4Å; S281-D284 PolarHBondContact O-N 3.21Å; S281-D284 VanDerWaalsContact O-N 3.11Å; S281-D284 PolarHBondContact OG-N 3.31Å; S281-D284 PolarHBondContact OG-OD2 3.28Å; S281-I285 PolarHBondContact O-N 3.19Å
282P98.3Very high98Very high92 Ų9255 Ų5560%0.59728%0.281SS*.Hα-helixtrans-57.5-31.3173.4-25.935.3000113.3R286P282-R286 WeakPolarHBondContact O-CG 3.38Å; P282-R286 PolarHBondContact O-N 3.29Å; P282-R286 VanDerWaalsContact O-N 3.12Å; P282-R286 PolarHBondContact O-NH1 3.29Å
283E98.3Very high97.8Very high131 Ų13159.6 Ų59.661%0.61230%0.298SS*.Hα-helixtrans-66.9-44.2174.9-174.9176.2-177.300111.5S281 R286 L287S281-E283 PolarHBondContact O-N 3.4Å; E283-R286 PolarHBondContact O-N 3.41Å; E283-L287 WeakPolarHBondContact O-CB 3.36Å; E283-L287 PolarHBondContact O-N 3.07Å
284D98.4Very high97.7Very high3 Ų363.3 Ų63.32%0.01632%0.318CS..Hα-helixtrans-68.8-36.3178.6-63.5-36000112.6R239 Y240 L280 S281 L287 I288R239-D284 IonicContact CZ-OD1 3.92Å; R239-D284 IonicContact CZ-OD2 3.28Å; R239-D284 IonicContact NH1-OD1 3.33Å; R239-D284 PolarHBondContact NH1-OD1 2.89Å; R239-D284 IonicContact NH1-OD2 3.51Å; R239-D284 PolarHBondContact NH1-OD2 3.34Å; R239-D284 IonicContact NH2-OD1 3.61Å; R239-D284 PolarHBondContact NH2-OD1 3.46Å; R239-D284 IonicContact NH2-OD2 2.7Å; Y240-D284 WeakPolarHBondContact CE2-OD2 3.44Å; Y240-D284 PolarHBondContact OH-OD2 3.25Å; L280-D284 HydrophobicContact CB-CB 4.34Å; L280-D284 HydrophobicContact CD2-CB 4.44Å; S281-D284 PolarHBondContact O-N 3.21Å; S281-D284 VanDerWaalsContact O-N 3.11Å; S281-D284 PolarHBondContact OG-N 3.31Å; S281-D284 PolarHBondContact OG-OD2 3.28Å; D284-L287 PolarHBondContact O-N 2.81Å; D284-I288 VanDerWaalsContact O-CG1 3.22Å; D284-I288 WeakPolarHBondContact O-CG1 3.09Å; D284-I288 PolarHBondContact O-N 2.88Å
285I98.4Very high97.4Very high23 Ų2357.9 Ų57.912%0.11830%0.303CS..Hα-helixtrans-60-49.4171.6-67-63.9000110.2W251 L280 S281 L287 I288 D289W251-I285 HydrophobicContact CB-CD1 4.45Å; W251-I285 HydrophobicContact CG-CD1 4.4Å; L280-I285 HydrophobicContact CB-CD1 3.79Å; L280-I285 HydrophobicContact CB-CG1 4.02Å; L280-I285 HydrophobicContact CD1-CD1 3.72Å; L280-I285 HydrophobicContact CG-CD1 4.41Å; S281-I285 PolarHBondContact O-N 3.19Å; I285-L287 VanDerWaalsContact C-N 3.31Å; I285-L287 PolarHBondContact O-N 2.74Å; I285-I288 PolarHBondContact O-N 3.02Å; I285-D289 WeakPolarHBondContact O-CB 3.22Å; I285-D289 PolarHBondContact O-N 3.18Å
286R97.9Very high97.2Very high157 Ų15759.7 Ų59.759%0.59231%0.309SS*.Hα-helixtrans-61.5-38.8177.3-75.1-172.1-62.2-92.52.2112.4P282 E283 D289 S290P282-R286 WeakPolarHBondContact O-CG 3.38Å; P282-R286 PolarHBondContact O-N 3.29Å; P282-R286 VanDerWaalsContact O-N 3.12Å; P282-R286 PolarHBondContact O-NH1 3.29Å; E283-R286 PolarHBondContact O-N 3.41Å; R286-D289 PolarHBondContact O-N 3.41Å; R286-S290 PolarHBondContact O-N 3.22Å; R286-S290 VanDerWaalsContact O-N 3.07Å
287L98.2Very high97Very high69 Ų6957.6 Ų57.636%0.36130%0.3SS..Hα-helixtrans-63-48.5176.3179.759.8000110.8I236 E283 D284 I285 D289 S290 F291I236-L287 HydrophobicContact CD1-CD2 4.09Å; I236-L287 HydrophobicContact CD1-CG 4.48Å; I236-L287 HydrophobicContact CG1-CD2 4.26Å; E283-L287 WeakPolarHBondContact O-CB 3.36Å; E283-L287 PolarHBondContact O-N 3.07Å; D284-L287 PolarHBondContact O-N 2.81Å; I285-L287 VanDerWaalsContact C-N 3.31Å; I285-L287 PolarHBondContact O-N 2.74Å; L287-D289 VanDerWaalsContact C-N 3.32Å; L287-D289 PolarHBondContact O-N 3.29Å; L287-S290 WeakPolarHBondContact O-CB 3.16Å; L287-S290 PolarHBondContact O-N 3.15Å; L287-S290 VanDerWaalsContact O-N 3.14Å; L287-S290 PolarHBondContact O-OG 3.3Å; L287-F291 HydrophobicContact CD1-CE1 3.85Å; L287-F291 HydrophobicContact CD1-CZ 4.37Å; L287-F291 HydrophobicContact CG-CE1 3.87Å; L287-F291 HydrophobicContact CG-CZ 3.94Å; L287-F291 WeakPolarHBondContact O-CD1 3.03Å; L287-F291 WeakPolarHBondContact O-CE1 3.14Å
288I98.4Very high96.8Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-64-39.1177.8-63165.4000111P188 L233 I236 V247 W251 L280 D284 I285 S290 F291P188-I288 HydrophobicContact CB-CG2 3.77Å; P188-I288 HydrophobicContact CG-CG2 3.58Å; L233-I288 HydrophobicContact CD2-CG1 4.29Å; I236-I288 HydrophobicContact CD1-CD1 4.03Å; I236-I288 HydrophobicContact CD1-CG1 3.53Å; V247-I288 HydrophobicContact CG1-CD1 3.82Å; W251-I288 HydrophobicContact CB-CD1 3.99Å; W251-I288 HydrophobicContact CB-CG2 4.35Å; W251-I288 VanDerWaalsContact CD1-CG2 3.46Å; W251-I288 HydrophobicContact CD2-CG2 3.79Å; W251-I288 HydrophobicContact CG-CB 4.24Å; W251-I288 HydrophobicContact CG-CD1 4.18Å; W251-I288 HydrophobicContact CG-CG2 3.64Å; W251-I288 HydrophobicContact CZ2-CG2 4.38Å; L280-I288 HydrophobicContact CD1-CD1 3.83Å; D284-I288 VanDerWaalsContact O-CG1 3.22Å; D284-I288 WeakPolarHBondContact O-CG1 3.09Å; D284-I288 PolarHBondContact O-N 2.88Å; I285-I288 PolarHBondContact O-N 3.02Å; I288-S290 PolarHBondContact O-N 3.13Å; I288-F291 HydrophobicContact CB-CE2 4.49Å; I288-F291 HydrophobicContact CG1-CE2 4.23Å; I288-F291 HydrophobicContact CG2-CD2 4.37Å; I288-F291 VanDerWaalsContact O-CB 3.28Å; I288-F291 WeakPolarHBondContact O-CB 3Å; I288-F291 WeakPolarHBondContact O-CG 3.44Å; I288-F291 PolarHBondContact O-N 3.07Å
289D97.7Very high96.3Very high55 Ų5552.6 Ų52.629%0.29427%0.274SS..Hα-helixtrans-59.3-34.8175.6-70.3-19.5000111.6W251 R255 I285 R286 L287 F291 N292W251-D289 WeakPolarHBondContact CZ2-OD1 3.37Å; W251-D289 PolarHBondContact NE1-OD1 3.46Å; R255-D289 IonicContact CZ-OD1 2.73Å; R255-D289 IonicContact NE-OD1 3.85Å; I285-D289 WeakPolarHBondContact O-CB 3.22Å; I285-D289 PolarHBondContact O-N 3.18Å; R286-D289 PolarHBondContact O-N 3.41Å; L287-D289 VanDerWaalsContact C-N 3.32Å; L287-D289 PolarHBondContact O-N 3.29Å; D289-F291 PolarHBondContact O-N 3.34Å; D289-N292 WeakPolarHBondContact O-CB 3.33Å; D289-N292 PolarHBondContact O-N 2.85Å
290S97.6Very high95.4Very high78 Ų7850.2 Ų50.255%0.54526%0.257SS..THydrogen-bonded Turntrans-67.3-10.7175.782.20000114.4R286 L287 I288 N292R286-S290 PolarHBondContact O-N 3.22Å; R286-S290 VanDerWaalsContact O-N 3.07Å; L287-S290 WeakPolarHBondContact O-CB 3.16Å; L287-S290 PolarHBondContact O-N 3.15Å; L287-S290 VanDerWaalsContact O-N 3.14Å; L287-S290 PolarHBondContact O-OG 3.3Å; I288-S290 PolarHBondContact O-N 3.13Å; S290-N292 PolarHBondContact O-N 3.23Å
291F97.3Very high94.8Very high5 Ų551.8 Ų51.82%0.02227%0.267CS..THydrogen-bonded Turntrans-77.6-10.1176.7-56.7-7.9000111.9P188 Y189 R232 L233 I236 L287 I288 D289 R293P188-F291 HydrophobicContact CB-CB 4.08Å; P188-F291 HydrophobicContact CB-CD2 4.09Å; P188-F291 CarbonylContact O-C 3.5Å; P188-F291 VanDerWaalsContact O-C 3.24Å; Y189-F291 HydrophobicContact CD1-CB 4.31Å; Y189-F291 WeakPolarHBondContact CD1-O 3.37Å; Y189-F291 HydrophobicContact CE1-CB 4.46Å; R232-F291 HydrophobicContact CB-CE1 3.95Å; R232-F291 HydrophobicContact CB-CE2 4.02Å; R232-F291 HydrophobicContact CB-CZ 3.4Å; R232-F291 HydrophobicContact CG-CE1 4.45Å; R232-F291 HydrophobicContact CG-CZ 4.35Å; L233-F291 HydrophobicContact CD2-CD2 4.31Å; L233-F291 HydrophobicContact CD2-CE2 3.82Å; L233-F291 HydrophobicContact CG-CD2 4.25Å; L233-F291 HydrophobicContact CG-CE2 3.81Å; I236-F291 HydrophobicContact CD1-CE2 4.29Å; I236-F291 HydrophobicContact CD1-CZ 4.14Å; L287-F291 HydrophobicContact CD1-CE1 3.85Å; L287-F291 HydrophobicContact CD1-CZ 4.37Å; L287-F291 HydrophobicContact CG-CE1 3.87Å; L287-F291 HydrophobicContact CG-CZ 3.94Å; L287-F291 WeakPolarHBondContact O-CD1 3.03Å; L287-F291 WeakPolarHBondContact O-CE1 3.14Å; I288-F291 HydrophobicContact CB-CE2 4.49Å; I288-F291 HydrophobicContact CG1-CE2 4.23Å; I288-F291 HydrophobicContact CG2-CD2 4.37Å; I288-F291 VanDerWaalsContact O-CB 3.28Å; I288-F291 WeakPolarHBondContact O-CB 3Å; I288-F291 WeakPolarHBondContact O-CG 3.44Å; I288-F291 PolarHBondContact O-N 3.07Å; D289-F291 PolarHBondContact O-N 3.34Å; F291-R293 PolarHBondContact O-N 2.92Å
292N97.1Very high94.2Very high53 Ų5352.5 Ų52.528%0.28327%0.27SS..  trans-57.8127.8179.1-173.260.9000110.9P188 L190 S191 D289 S290 N294P188-N292 WeakPolarHBondContact O-CA 3.34Å; P188-N292 PolarHBondContact O-N 2.82Å; P188-N292 VanDerWaalsContact O-N 3.09Å; L190-N292 WeakPolarHBondContact CA-OD1 3.16Å; S191-N292 PolarHBondContact N-OD1 3.39Å; S191-N292 PolarHBondContact OG-OD1 3.11Å; D289-N292 WeakPolarHBondContact O-CB 3.33Å; D289-N292 PolarHBondContact O-N 2.85Å; S290-N292 PolarHBondContact O-N 3.23Å; N292-N294 PolarHBondContact ND2-OD1 2.86Å
293R95.6Very high93.7Very high101 Ų10155.7 Ų55.738%0.38128%0.277SS..  trans-140.220.4-18055.1169.1-168.8-164.43.6111.8Y189 F291 T295Y189-R293 HydrophobicContact CD1-CG 4.21Å; Y189-R293 HydrophobicContact CG-CG 4.32Å; Y189-R293 PolarHBondContact O-N 2.83Å; F291-R293 PolarHBondContact O-N 2.92Å; R293-T295 WeakPolarHBondContact CD-OG1 3.44Å; R293-T295 VanDerWaalsContact CG-OG1 3.3Å; R293-T295 WeakPolarHBondContact CG-OG1 3.42Å; R293-T295 PolarHBondContact NE-OG1 2.66Å; R293-T295 PolarHBondContact O-N 3.39Å; R293-T295 PolarHBondContact O-OG1 3.18Å
294N95Very high93Very high112 Ų11254.4 Ų54.460%0.59927%0.269SS*.  trans47.934.5-178.8-61.6-19.6000113.3Y189 N292Y189-N294 PolarHBondContact O-N 2.58Å; N292-N294 PolarHBondContact ND2-OD1 2.86Å
295T92.3Very high92.4Very high44 Ų4461.6 Ų61.627%0.2731%0.307SS..  trans-95.4109.2-177.5-60.10000109.5Y189 R293 F297Y189-T295 PolarHBondContact O-N 3.01Å; Y189-T295 VanDerWaalsContact O-N 3.1Å; R293-T295 WeakPolarHBondContact CD-OG1 3.44Å; R293-T295 VanDerWaalsContact CG-OG1 3.3Å; R293-T295 WeakPolarHBondContact CG-OG1 3.42Å; R293-T295 PolarHBondContact NE-OG1 2.66Å; R293-T295 PolarHBondContact O-N 3.39Å; R293-T295 PolarHBondContact O-OG1 3.18Å; T295-F297 HydrophobicContact CG2-CD1 4.05Å; T295-F297 HydrophobicContact CG2-CE1 3.7Å
296R93.6Very high91.8Very high38 Ų3863.5 Ų63.514%0.14333%0.333CS..  trans-92.8127176-171-179.8-64.4-83.9-1.5111.3E185 L190 I299 Y324E185-R296 WeakPolarHBondContact OE1-CA 3.5Å; E185-R296 WeakPolarHBondContact OE2-CG 3.33Å; L190-R296 HydrophobicContact CD2-CB 3.99Å; L190-R296 HydrophobicContact CD2-CG 3.99Å; R296-I299 HydrophobicContact CB-CD1 3.95Å; R296-I299 HydrophobicContact CB-CG1 4.21Å; R296-I299 HydrophobicContact CG-CD1 4.01Å; R296-I299 HydrophobicContact CG-CG1 3.71Å; R296-Y324 PolarHBondContact NH2-OH 3.24Å
297F92.8Very high91.3Very high6 Ų663.1 Ų63.13%0.02634%0.336CS..  trans-92-34179.4-67.2-28.3000112.9E185 H187 Y189 G213 R217 W219 E224 T295 I299E185-F297 PolarHBondContact OE1-N 3.1Å; E185-F297 PolarHBondContact OE2-N 3.09Å; H187-F297 AromaticContact CE1-CD2 3.81Å; H187-F297 AromaticContact CE1-CE2 3.93Å; H187-F297 AromaticContact NE2-CD2 3.27Å; H187-F297 VanDerWaalsContact NE2-CD2 3.27Å; H187-F297 WeakPolarHBondContact NE2-CD2 3.46Å; H187-F297 AromaticContact NE2-CE2 3.76Å; Y189-F297 HydrophobicContact CD2-CE2 4.16Å; Y189-F297 AromaticContact CD2-CZ 3.75Å; Y189-F297 HydrophobicContact CD2-CZ 3.75Å; Y189-F297 HydrophobicContact CE2-CZ 4.36Å; G213-F297 WeakPolarHBondContact O-CD2 3.45Å; R217-F297 PolarHBondContact NE-O 2.61Å; W219-F297 PolarHBondContact NE1-O 2.73Å; E224-F297 HydrophobicContact CG-CE1 4.25Å; E224-F297 WeakPolarHBondContact OE1-CD1 3.3Å; E224-F297 WeakPolarHBondContact OE1-CE1 3.46Å; T295-F297 HydrophobicContact CG2-CD1 4.05Å; T295-F297 HydrophobicContact CG2-CE1 3.7Å; F297-I299 PolarHBondContact O-N 3.36Å
298I92.3Very high90.7Very high13 Ų1366.3 Ų66.37%0.06735%0.347CS..  trans-96.672.7-175.3-48.4-52.6000110.3W21 E185 Y209 S210 W219W21-I298 HydrophobicContact CZ3-CD1 4.4Å; E185-I298 HydrophobicContact CG-CG1 4.43Å; E185-I298 WeakPolarHBondContact OE2-CA 3.36Å; E185-I298 WeakPolarHBondContact OE2-CB 3.28Å; E185-I298 WeakPolarHBondContact OE2-CG1 3.37Å; E185-I298 PolarHBondContact OE2-N 2.98Å; Y209-I298 HydrophobicContact CD2-CG1 4.36Å; Y209-I298 HydrophobicContact CE2-CB 3.82Å; Y209-I298 HydrophobicContact CE2-CG1 3.73Å; Y209-I298 HydrophobicContact CE2-CG2 4.03Å; S210-I298 WeakPolarHBondContact OG-CG1 3.44Å; W219-I298 HydrophobicContact CZ2-CD1 4.34Å; W219-I298 HydrophobicContact CZ2-CG2 4.22Å
299I87.8Confident90.4Very high16 Ų1668.8 Ų68.88%0.08236%0.362CS..  trans-123.2117.6167-54.6170.5000107.4R296 F297 T301 W310 F318 F320R296-I299 HydrophobicContact CB-CD1 3.95Å; R296-I299 HydrophobicContact CB-CG1 4.21Å; R296-I299 HydrophobicContact CG-CD1 4.01Å; R296-I299 HydrophobicContact CG-CG1 3.71Å; F297-I299 PolarHBondContact O-N 3.36Å; I299-T301 PolarHBondContact O-N 3.36Å; I299-T301 VanDerWaalsContact O-N 3.11Å; I299-W310 HydrophobicContact CD1-CZ2 3.92Å; I299-W310 HydrophobicContact CG2-CB 4.09Å; I299-W310 HydrophobicContact CG2-CD2 4.18Å; I299-W310 HydrophobicContact CG2-CG 3.68Å; I299-F318 HydrophobicContact CG2-CZ 4.31Å; I299-F320 HydrophobicContact CG1-CD2 4.28Å
300P80Confident90.1Very high17 Ų1771.2 Ų71.211%0.1137%0.367CS..  trans-59.5118.1170.2-22.633.8000110R311P300-R311 HydrophobicContact CB-CB 4.18Å; P300-R311 WeakPolarHBondContact O-CB 3.33Å; P300-R311 PolarHBondContact O-N 2.94Å
301T86.1Confident89.8Confident38 Ų3869.6 Ų69.623%0.23335%0.349CS..EExtended strand (participates in β ladder)trans-112.4148.117755.60000111.1I299 K308 V309I299-T301 PolarHBondContact O-N 3.36Å; I299-T301 VanDerWaalsContact O-N 3.11Å; T301-K308 HydrophobicContact CG2-CD 4.41Å; T301-K308 HydrophobicContact CG2-CG 4.06Å; T301-K308 WeakPolarHBondContact OG1-CE 3.31Å; T301-V309 CarbonylContact C-O 3.48Å; T301-V309 WeakPolarHBondContact CA-O 3.36Å; T301-V309 WeakPolarHBondContact CB-O 3.21Å
302V86.1Confident89.7Confident52 Ų5269.4 Ų69.432%0.31535%0.348SS..EExtended strand (participates in β ladder)trans-127.6160.7171.3-66.70000109.6V309 R311V302-V309 HydrophobicContact CG2-CG2 3.89Å; V302-V309 PolarHBondContact N-O 2.89Å; V302-V309 PolarHBondContact O-N 2.57Å; V302-R311 HydrophobicContact CG1-CB 3.93Å; V302-R311 HydrophobicContact CG1-CG 3.74Å; V302-R311 HydrophobicContact CG2-CB 4.29Å; V302-R311 HydrophobicContact CG2-CG 4.46Å
303E86.7Confident89.5Confident159 Ų15967.6 Ų67.674%0.74334%0.341SS*.EExtended strand (participates in β ladder)trans-90127.6171-166.3174.216200109.3K307E303-K307 WeakPolarHBondContact CA-O 3.47Å
304K83.4Confident89.4Confident104 Ų10470.8 Ų70.845%0.45236%0.36SS..EExtended strand (participates in β ladder)trans-137.1121.2175.6-173176.4177.8-179.40107.1G306 K307 V309 E314K304-G306 VanDerWaalsContact C-N 3.29Å; K304-G306 PolarHBondContact O-N 3.02Å; K304-K307 PolarHBondContact N-O 3.4Å; K304-K307 PolarHBondContact O-N 3.39Å; K304-V309 HydrophobicContact CB-CG2 3.84Å; K304-E314 IonicContact NZ-OE1 3.1Å; K304-E314 PolarHBondContact NZ-OE1 3.3Å
305D86.8Confident89.4Confident153 Ų15366.1 Ų66.182%0.81834%0.335SS*.THydrogen-bonded Turntrans52.342.8-178.8-51.1-44.3000113.9K307D305-K307 PolarHBondContact O-N 3.05Å
306G85.9Confident89.6Confident63 Ų6369.3 Ų69.365%0.64936%0.356SS*.THydrogen-bonded Turntrans71.110.7-17900000114.7K304K304-G306 VanDerWaalsContact C-N 3.29Å; K304-G306 PolarHBondContact O-N 3.02Å
307K87.1Confident89.7Confident150 Ų15069.2 Ų69.265%0.65236%0.358SS*.EExtended strand (participates in β ladder)trans-118.7139.7177.8-65-179.3-177.91760111.2E303 K304 D305 V309E303-K307 WeakPolarHBondContact CA-O 3.47Å; K304-K307 PolarHBondContact N-O 3.4Å; K304-K307 PolarHBondContact O-N 3.39Å; D305-K307 PolarHBondContact O-N 3.05Å; K307-V309 PolarHBondContact O-N 2.83Å
308K86Confident90Very high136 Ų13669.1 Ų69.159%0.59136%0.357SS*.EExtended strand (participates in β ladder)trans-78.3113.9172.1-167.6173.9-174176.80109W219 T301W219-K308 PolarHBondContact O-NZ 2.9Å; T301-K308 HydrophobicContact CG2-CD 4.41Å; T301-K308 HydrophobicContact CG2-CG 4.06Å; T301-K308 WeakPolarHBondContact OG1-CE 3.31Å
309V90.3Very high90.2Very high52 Ų5268.5 Ų68.532%0.31535%0.354SS..EExtended strand (participates in β ladder)trans-119.7160.1178.8-60.90000110.7T301 V302 K304 K307 R311T301-V309 CarbonylContact C-O 3.48Å; T301-V309 WeakPolarHBondContact CA-O 3.36Å; T301-V309 WeakPolarHBondContact CB-O 3.21Å; V302-V309 HydrophobicContact CG2-CG2 3.89Å; V302-V309 PolarHBondContact N-O 2.89Å; V302-V309 PolarHBondContact O-N 2.57Å; K304-V309 HydrophobicContact CB-CG2 3.84Å; K307-V309 PolarHBondContact O-N 2.83Å; V309-R311 PolarHBondContact O-N 2.79Å
310W92.2Very high90.7Very high106 Ų10668.7 Ų68.740%0.40235%0.354SS..EExtended strand (participates in β ladder)trans-70.6122.6173-60.9-11.1000109.5I299 D312 G313 F318 H321I299-W310 HydrophobicContact CD1-CZ2 3.92Å; I299-W310 HydrophobicContact CG2-CB 4.09Å; I299-W310 HydrophobicContact CG2-CD2 4.18Å; I299-W310 HydrophobicContact CG2-CG 3.68Å; W310-D312 VanDerWaalsContact C-N 3.25Å; W310-D312 PolarHBondContact O-N 3.36Å; W310-G313 PolarHBondContact O-N 3.28Å; W310-G313 VanDerWaalsContact O-N 3.13Å; W310-F318 HydrophobicContact CB-CZ 4.4Å; W310-F318 HydrophobicContact CD2-CE1 4.17Å; W310-F318 HydrophobicContact CD2-CZ 4.19Å; W310-F318 HydrophobicContact CE3-CD1 4.2Å; W310-F318 AromaticContact CE3-CE1 3.26Å; W310-F318 HydrophobicContact CE3-CE1 3.26Å; W310-F318 AromaticContact CE3-CZ 3.72Å; W310-F318 HydrophobicContact CE3-CZ 3.72Å; W310-F318 HydrophobicContact CZ3-CD1 4.39Å; W310-F318 AromaticContact CZ3-CE1 3.54Å; W310-F318 HydrophobicContact CZ3-CE1 3.54Å; W310-F318 HydrophobicContact CZ3-CZ 4.32Å; W310-H321 AromaticContact CZ3-CE1 3.89Å; W310-H321 AromaticContact CZ3-ND1 3.77Å
311R91.9Very high91.4Very high44 Ų4473 Ų7317%0.16637%0.373CS..THydrogen-bonded Turntrans-54.3-43.9-175.6-174.5-170.770-154.2-0.7112.5I132 Y134 P300 V302 V309I132-R311 HydrophobicContact CG1-CG 4.27Å; Y134-R311 PolarHBondContact OH-O 3.38Å; P300-R311 HydrophobicContact CB-CB 4.18Å; P300-R311 WeakPolarHBondContact O-CB 3.33Å; P300-R311 PolarHBondContact O-N 2.94Å; V302-R311 HydrophobicContact CG1-CB 3.93Å; V302-R311 HydrophobicContact CG1-CG 3.74Å; V302-R311 HydrophobicContact CG2-CB 4.29Å; V302-R311 HydrophobicContact CG2-CG 4.46Å; V309-R311 PolarHBondContact O-N 2.79Å
312D94.3Very high91.9Very high1 Ų173.8 Ų73.81%0.00538%0.376CS..THydrogen-bonded Turntrans-105.711.6-175.1-47.8-36.2000111.9M115 Y134 W310 E314 H315 F318M115-D312 HydrophobicContact CE-CB 3.78Å; M115-D312 HydrophobicContact SD-CB 3.84Å; Y134-D312 WeakPolarHBondContact OH-CA 3.37Å; Y134-D312 PolarHBondContact OH-OD1 2.87Å; Y134-D312 VanDerWaalsContact OH-OD1 3.07Å; W310-D312 VanDerWaalsContact C-N 3.25Å; W310-D312 PolarHBondContact O-N 3.36Å; D312-E314 PolarHBondContact O-N 3.04Å; D312-E314 VanDerWaalsContact O-N 3.15Å; D312-H315 VanDerWaalsContact O-CB 3.25Å; D312-H315 WeakPolarHBondContact O-CB 3.18Å; D312-H315 PolarHBondContact O-N 3.17Å; D312-F318 HydrophobicContact CB-CD2 3.85Å; D312-F318 HydrophobicContact CB-CE2 4.09Å; D312-F318 WeakPolarHBondContact O-CB 3.17Å; D312-F318 WeakPolarHBondContact O-CD2 3.41Å; D312-F318 WeakPolarHBondContact O-CG 3.4Å
313G93.6Very high92.2Very high14 Ų1477.4 Ų77.414%0.14440%0.4CS..THydrogen-bonded Turntrans-64.4-19.5-173.800000114.2W310 H321W310-G313 PolarHBondContact O-N 3.28Å; W310-G313 VanDerWaalsContact O-N 3.13Å; G313-H321 PolarHBondContact O-CE1 3.27Å; G313-H321 PolarHBondContact O-NE2 2.97Å
314E92.6Very high92.4Very high168 Ų16872 Ų7279%0.78537%0.373SS*.THydrogen-bonded Turntrans-89.6-4.6176-64.9175.1-17000112.5K304 D312K304-E314 IonicContact NZ-OE1 3.1Å; K304-E314 PolarHBondContact NZ-OE1 3.3Å; D312-E314 PolarHBondContact O-N 3.04Å; D312-E314 VanDerWaalsContact O-N 3.15Å
315H96Very high92.8Very high15 Ų1570.4 Ų70.47%0.06937%0.369CS..SBendtrans-72.8133.4-178.3-168.9-82.3000111.2M115 Y134 D312 H317 F318M115-H315 WeakPolarHBondContact CG-ND1 3.48Å; M115-H315 HydrophobicContact SD-CB 3.7Å; Y134-H315 AromaticContact CD1-CD2 3.4Å; Y134-H315 WeakPolarHBondContact CD1-CD2 3.37Å; Y134-H315 AromaticContact CE1-CD2 3.81Å; Y134-H315 AromaticContact CG-CD2 3.56Å; D312-H315 VanDerWaalsContact O-CB 3.25Å; D312-H315 WeakPolarHBondContact O-CB 3.18Å; D312-H315 PolarHBondContact O-N 3.17Å; H315-H317 AromaticContact CE1-CD2 3.9Å; H315-H317 PolarHBondContact ND1-N 3.47Å; H315-H317 PolarHBondContact O-N 3.05Å; H315-F318 HydrophobicContact CB-CB 4.39Å; H315-F318 VanDerWaalsContact O-CB 3.24Å; H315-F318 WeakPolarHBondContact O-CB 3.43Å; H315-F318 PolarHBondContact O-N 3.1Å
316P95.8Very high93.1Very high110 Ų11066 Ų6671%0.71435%0.346SS*.THydrogen-bonded Turntrans-59.5-23.5-177.5-26.134.2000115.1
317H97.3Very high93.5Very high36 Ų3666.2 Ų66.217%0.16733%0.329CS..THydrogen-bonded Turntrans-103.916.4176.7-55.1-36.9000113.6P114 M115 H138 Y139 Q167 H315 P319P114-H317 HydrophobicContact CB-CB 4.5Å; P114-H317 VanDerWaalsContact CG-O 3.3Å; P114-H317 WeakPolarHBondContact CG-O 3.2Å; M115-H317 HydrophobicContact CG-CB 4.17Å; H138-H317 AromaticContact CD2-CE1 3.76Å; H138-H317 AromaticContact CD2-NE2 3.62Å; H138-H317 AromaticContact CG-NE2 3.99Å; H138-H317 AromaticContact NE2-CE1 3.69Å; H138-H317 AromaticContact NE2-NE2 3.96Å; Y139-H317 HydrophobicContact CD1-CB 4.39Å; Y139-H317 AromaticContact CD1-CD2 3.98Å; Y139-H317 HydrophobicContact CE1-CB 4.31Å; Y139-H317 AromaticContact CE1-CE1 3.98Å; Y139-H317 AromaticContact CE1-CG 3.84Å; Y139-H317 AromaticContact CE1-ND1 3.77Å; Q167-H317 PolarHBondContact NE2-O 3.29Å; H315-H317 AromaticContact CE1-CD2 3.9Å; H315-H317 PolarHBondContact ND1-N 3.47Å; H315-H317 PolarHBondContact O-N 3.05Å; H317-P319 WeakPolarHBondContact O-CD 3.17Å
318F97.7Very high93.9Very high5 Ų561.2 Ų61.22%0.02231%0.31CS..  trans-61.7120.8175.5-172.4-105.5000110.4M115 I299 W310 D312 H315 F320 H321M115-F318 HydrophobicContact CE-CD2 4.01Å; M115-F318 HydrophobicContact SD-CB 4.16Å; M115-F318 HydrophobicContact SD-CD2 3.88Å; I299-F318 HydrophobicContact CG2-CZ 4.31Å; W310-F318 HydrophobicContact CB-CZ 4.4Å; W310-F318 HydrophobicContact CD2-CE1 4.17Å; W310-F318 HydrophobicContact CD2-CZ 4.19Å; W310-F318 HydrophobicContact CE3-CD1 4.2Å; W310-F318 AromaticContact CE3-CE1 3.26Å; W310-F318 HydrophobicContact CE3-CE1 3.26Å; W310-F318 AromaticContact CE3-CZ 3.72Å; W310-F318 HydrophobicContact CE3-CZ 3.72Å; W310-F318 HydrophobicContact CZ3-CD1 4.39Å; W310-F318 AromaticContact CZ3-CE1 3.54Å; W310-F318 HydrophobicContact CZ3-CE1 3.54Å; W310-F318 HydrophobicContact CZ3-CZ 4.32Å; D312-F318 HydrophobicContact CB-CD2 3.85Å; D312-F318 HydrophobicContact CB-CE2 4.09Å; D312-F318 WeakPolarHBondContact O-CB 3.17Å; D312-F318 WeakPolarHBondContact O-CD2 3.41Å; D312-F318 WeakPolarHBondContact O-CG 3.4Å; H315-F318 HydrophobicContact CB-CB 4.39Å; H315-F318 VanDerWaalsContact O-CB 3.24Å; H315-F318 WeakPolarHBondContact O-CB 3.43Å; H315-F318 PolarHBondContact O-N 3.1Å; F318-F320 VanDerWaalsContact C-N 3.34Å; F318-F320 HydrophobicContact CD1-CB 4.3Å; F318-F320 HydrophobicContact CE1-CB 3.61Å; F318-F320 HydrophobicContact CE1-CD2 4.07Å; F318-F320 HydrophobicContact CE1-CG 4.19Å; F318-F320 HydrophobicContact CE2-CD2 4.17Å; F318-F320 HydrophobicContact CZ-CB 4.06Å; F318-F320 AromaticContact CZ-CD2 3.6Å; F318-F320 HydrophobicContact CZ-CD2 3.6Å; F318-F320 HydrophobicContact CZ-CE2 4.5Å; F318-F320 HydrophobicContact CZ-CG 4.19Å; F318-F320 PolarHBondContact O-N 2.89Å; F318-H321 AromaticContact CD1-CD2 3.65Å; F318-H321 AromaticContact CD1-NE2 3.62Å
319P97.4Very high94.4Very high0 Ų056.6 Ų56.60%029%0.292CS..THydrogen-bonded Turntrans-78.4-14.2-165.426.8-33.9000114.7W113 P114 N162 N164 H317W113-P319 HydrophobicContact CE3-CG 4.26Å; W113-P319 HydrophobicContact CZ3-CG 4.15Å; P114-P319 HydrophobicContact CG-CB 4.07Å; P114-P319 HydrophobicContact CG-CG 4.05Å; N162-P319 HydrophobicContact CB-CG 4.38Å; N162-P319 WeakPolarHBondContact O-CB 3.43Å; N162-P319 WeakPolarHBondContact O-CG 3.32Å; N164-P319 HydrophobicContact CB-CB 4.5Å; N164-P319 WeakPolarHBondContact CB-O 3.4Å; N164-P319 PolarHBondContact ND2-O 3.33Å; N164-P319 VanDerWaalsContact ND2-O 3.11Å; H317-P319 WeakPolarHBondContact O-CD 3.17Å
320F97.1Very high94.7Very high19 Ų1956.9 Ų56.98%0.08329%0.29CS..THydrogen-bonded Turntrans-10412.4-166.2-46.9-37.3000114.4W113 N162 I299 F318 Y324W113-F320 AromaticContact CH2-CE2 3.84Å; W113-F320 HydrophobicContact CH2-CE2 3.84Å; W113-F320 AromaticContact CH2-CZ 3.88Å; W113-F320 HydrophobicContact CH2-CZ 3.88Å; W113-F320 AromaticContact CZ3-CE2 3.63Å; W113-F320 HydrophobicContact CZ3-CE2 3.63Å; W113-F320 AromaticContact CZ3-CZ 3.56Å; W113-F320 HydrophobicContact CZ3-CZ 3.56Å; N162-F320 HydrophobicContact CB-CE1 4.36Å; N162-F320 HydrophobicContact CB-CZ 4.11Å; I299-F320 HydrophobicContact CG1-CD2 4.28Å; F318-F320 VanDerWaalsContact C-N 3.34Å; F318-F320 HydrophobicContact CD1-CB 4.3Å; F318-F320 HydrophobicContact CE1-CB 3.61Å; F318-F320 HydrophobicContact CE1-CD2 4.07Å; F318-F320 HydrophobicContact CE1-CG 4.19Å; F318-F320 HydrophobicContact CE2-CD2 4.17Å; F318-F320 HydrophobicContact CZ-CB 4.06Å; F318-F320 AromaticContact CZ-CD2 3.6Å; F318-F320 HydrophobicContact CZ-CD2 3.6Å; F318-F320 HydrophobicContact CZ-CE2 4.5Å; F318-F320 HydrophobicContact CZ-CG 4.19Å; F318-F320 PolarHBondContact O-N 2.89Å; F320-Y324 WeakPolarHBondContact CD1-OH 3.42Å
321H95.4Very high94.9Very high107 Ų10753.4 Ų53.450%0.49528%0.282SS..SBendtrans-82.3-38.1170-72.4-47.6000112.9W310 G313 F318W310-H321 AromaticContact CZ3-CE1 3.89Å; W310-H321 AromaticContact CZ3-ND1 3.77Å; G313-H321 PolarHBondContact O-CE1 3.27Å; G313-H321 PolarHBondContact O-NE2 2.97Å; F318-H321 AromaticContact CD1-CD2 3.65Å; F318-H321 AromaticContact CD1-NE2 3.62Å
322D95.6Very high95.1Very high56 Ų5654.1 Ų54.130%0.29929%0.291SS..SBendtrans-73.1139.2-178.1-62.4-22.2000109.8N164 R166 Y324N164-D322 PolarHBondContact ND2-OD2 3.27Å; R166-D322 IonicContact CZ-OD2 3.4Å; R166-D322 IonicContact NE-OD2 2.71Å; R166-D322 PolarHBondContact NE-OD2 3.33Å; R166-D322 IonicContact NH2-OD2 3.97Å; R166-D322 PolarHBondContact NH2-OD2 2.94Å; R166-D322 VanDerWaalsContact NH2-OD2 3.08Å; D322-Y324 VanDerWaalsContact O-CD1 3.25Å; D322-Y324 WeakPolarHBondContact O-CD1 2.88Å; D322-Y324 WeakPolarHBondContact O-CE1 3.38Å
323P93.6Very high95.2Very high128 Ų12858.5 Ų58.583%0.83132%0.315SS*.  trans-71.4141.4177.229.5-34.4000111.8
324Y90Very high95.3Very high44 Ų4462.5 Ų62.517%0.17333%0.331CS..  trans-171.90169.658.7-97.7000111.1N164 Q192 D194 L195 R296 F320 D322N164-Y324 HydrophobicContact CB-CD1 4.02Å; N164-Y324 HydrophobicContact CB-CE1 3.68Å; Q192-Y324 VanDerWaalsContact OE1-CD2 3.27Å; D194-Y324 VanDerWaalsContact CB-OXT 3.27Å; D194-Y324 WeakPolarHBondContact CB-OXT 3.4Å; D194-Y324 PolarHBondContact N-OXT 3.11Å; L195-Y324 HydrophobicContact CB-CD2 3.6Å; L195-Y324 HydrophobicContact CB-CE2 4.3Å; L195-Y324 HydrophobicContact CB-CG 4.14Å; L195-Y324 HydrophobicContact CD2-CD2 3.93Å; L195-Y324 HydrophobicContact CD2-CE2 3.78Å; L195-Y324 HydrophobicContact CG-CD2 4.27Å; L195-Y324 PolarHBondContact N-OXT 2.87Å; R296-Y324 PolarHBondContact NH2-OH 3.24Å; F320-Y324 WeakPolarHBondContact CD1-OH 3.42Å; D322-Y324 VanDerWaalsContact O-CD1 3.25Å; D322-Y324 WeakPolarHBondContact O-CD1 2.88Å; D322-Y324 WeakPolarHBondContact O-CE1 3.38Å

Retrieved 324 of 324 residues in 112.6 ms (Link to these results)

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