A0A096N6M9_PAPAN Loading...

ADP-ribosylation factor 6

AlphaFold DB (P62331), UniProt , Accession A0A096N6M9, Species PAPAN (Papio anubis, Olive baboon), Gene ARF6, Length 175 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
1M47.1Very low55.4Low204 Ų204122 Ų122100%1.00566%0.662SS**  0-41.50-72.9-66.2-101.900114K3M1-K3 PolarHBondContact O-N 3.47Å
2G55.1Low58.2Low61 Ų61118.4 Ų118.463%0.62964%0.635SS**Hα-helixtrans-67.1-33.3-17400000117.8
3K52.8Low60.9Low187 Ų187117.5 Ų117.581%0.81363%0.625SS**Hα-helixtrans-78.1-18.1-177.3-73.5-173.7176.9-179.60114.9M1 S6M1-K3 PolarHBondContact O-N 3.47Å; K3-S6 PolarHBondContact O-OG 3.48Å
4V56Low63.4Low100 Ų100109.3 Ų109.361%0.60658%0.581SS**Hα-helixtrans-85.2-37.4179.61790000110.3K7 I8V4-K7 PolarHBondContact O-N 3.33Å; V4-I8 PolarHBondContact O-N 3.24Å
5L53Low65.7Low100 Ų100105.2 Ų105.252%0.52455%0.554SS.*Hα-helixtrans-65.4-37.8175-80161.3000112.4K7 I8 F9L5-K7 VanDerWaalsContact C-N 3.29Å; L5-K7 PolarHBondContact O-N 3.1Å; L5-I8 PolarHBondContact O-N 3.08Å; L5-I8 VanDerWaalsContact O-N 3.08Å; L5-F9 HydrophobicContact CD2-CE2 4.35Å; L5-F9 PolarHBondContact O-N 3.11Å; L5-F9 VanDerWaalsContact O-N 3.1Å
6S50.7Low67.8Low75 Ų7598.6 Ų98.652%0.52452%0.52SS..Hα-helixtrans-67.1-28.7177.866.50000113.4K3 I8 G10K3-S6 PolarHBondContact O-OG 3.48Å; S6-I8 VanDerWaalsContact C-N 3.28Å; S6-I8 PolarHBondContact O-N 3.48Å; S6-G10 PolarHBondContact O-N 3.36Å; S6-G10 VanDerWaalsContact O-N 3.11Å
7K50.6Low69.6Low189 Ų18992.8 Ų92.882%0.82249%0.489SS*.Hα-helixtrans-70-24.1172.5-89.7-170.9173.2-1740113.1V4 L5V4-K7 PolarHBondContact O-N 3.33Å; L5-K7 VanDerWaalsContact C-N 3.29Å; L5-K7 PolarHBondContact O-N 3.1Å
8I55.6Low71.2Confident129 Ų12987.7 Ų87.766%0.66246%0.462SS*.Hα-helixtrans-90.7-22.4179.6-63.7176.7000111.7V4 L5 S6V4-I8 PolarHBondContact O-N 3.24Å; L5-I8 PolarHBondContact O-N 3.08Å; L5-I8 VanDerWaalsContact O-N 3.08Å; S6-I8 VanDerWaalsContact C-N 3.28Å; S6-I8 PolarHBondContact O-N 3.48Å
9F57.8Low72.7Confident165 Ų16583.1 Ų83.172%0.72444%0.438SS*.Hα-helixtrans-1082.2-179.4-80.2-86.5000115.3L5 N11L5-F9 HydrophobicContact CD2-CE2 4.35Å; L5-F9 PolarHBondContact O-N 3.11Å; L5-F9 VanDerWaalsContact O-N 3.1Å; F9-N11 PolarHBondContact O-N 3.25Å
10G60.7Low74Confident54 Ų5479 Ų7956%0.55742%0.416SS*.SBendtrans-60.6129173.900000110.6S6 K12S6-G10 PolarHBondContact O-N 3.36Å; S6-G10 VanDerWaalsContact O-N 3.11Å; G10-K12 PolarHBondContact O-N 3.33Å
11N70.3Confident75.2Confident78 Ų7875.8 Ų75.842%0.41740%0.399SS..PPolyproline II helixtrans-54.9129.1167.1-73.2-47.9000108.1F9 E13 N56 K58F9-N11 PolarHBondContact O-N 3.25Å; N11-E13 PolarHBondContact O-N 3.08Å; N11-N56 WeakPolarHBondContact CA-O 3.27Å; N11-N56 PolarHBondContact OD1-O 2.95Å; N11-K58 HydrophobicContact CB-CD 4.3Å; N11-K58 HydrophobicContact CB-CG 4.16Å
12K88.5Confident77.6Confident79 Ų7968.2 Ų68.234%0.34336%0.363SS..EExtended strand (participates in β ladder)trans-63127.2174.4-175.6178180-179.90107.1G10 N56 V57 K58G10-K12 PolarHBondContact O-N 3.33Å; K12-N56 PolarHBondContact N-O 3.34Å; K12-N56 VanDerWaalsContact N-O 3.14Å; K12-V57 HydrophobicContact CB-CG2 4.25Å; K12-V57 CarbonylContact O-C 3.54Å; K12-V57 VanDerWaalsContact O-CA 3.26Å; K12-V57 WeakPolarHBondContact O-CA 3.44Å; K12-V57 WeakPolarHBondContact O-CG1 3.32Å; K12-K58 PolarHBondContact O-N 3.38Å
13E93.7Very high79.6Confident106 Ų10668.5 Ų68.550%0.49536%0.36SS..EExtended strand (participates in β ladder)trans-100.3140.3174.4-56.7-158.7166.300109.8N11 K58 N60N11-E13 PolarHBondContact O-N 3.08Å; E13-K58 CarbonylContact C-O 3.57Å; E13-K58 WeakPolarHBondContact CA-O 3.36Å; E13-K58 HydrophobicContact CG-CB 4.24Å; E13-N60 PolarHBondContact OE2-ND2 3.14Å
14M95.9Very high81.8Confident3 Ų359.7 Ų59.72%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-133.8120.8178.1-169.6174.4-179.900110I16 V57 K58 F59 N60 Q82 I116 L169 Y173M14-I16 HydrophobicContact CE-CD1 3.66Å; M14-I16 HydrophobicContact CG-CD1 3.82Å; M14-I16 HydrophobicContact CG-CG1 4.39Å; M14-I16 PolarHBondContact O-N 3.48Å; M14-I16 HydrophobicContact SD-CD1 3.82Å; M14-V57 HydrophobicContact CB-CG1 4.39Å; M14-K58 PolarHBondContact N-O 2.72Å; M14-F59 HydrophobicContact CB-CD1 4.08Å; M14-F59 HydrophobicContact CB-CE1 4.38Å; M14-F59 HydrophobicContact CG-CD1 4.47Å; M14-F59 CarbonylContact O-C 3.58Å; M14-F59 WeakPolarHBondContact O-CA 3.26Å; M14-F59 HydrophobicContact SD-CD1 4.25Å; M14-F59 HydrophobicContact SD-CE1 3.85Å; M14-N60 PolarHBondContact O-N 3.29Å; M14-Q82 HydrophobicContact CE-CB 4.24Å; M14-Q82 HydrophobicContact CG-CB 4.03Å; M14-I116 HydrophobicContact CE-CG2 3.6Å; M14-L169 HydrophobicContact CE-CD2 4.36Å; M14-Y173 HydrophobicContact CE-CD1 4.08Å; M14-Y173 HydrophobicContact CE-CD2 3.64Å; M14-Y173 HydrophobicContact CE-CE2 4.26Å; M14-Y173 HydrophobicContact CE-CG 3.56Å; M14-Y173 HydrophobicContact SD-CD1 4.03Å; M14-Y173 HydrophobicContact SD-CG 4.03Å
15R97.8Very high83.8Confident48 Ų4855.6 Ų55.618%0.18130%0.3CS..EExtended strand (participates in β ladder)trans-78.9114.4173-175.8169.2-178.7-78.5-2.3109.6Y77 T79 G80 T81 Q82 G83R15-Y77 PolarHBondContact NH1-O 2.86Å; R15-Y77 PolarHBondContact NH2-O 3.39Å; R15-T79 VanDerWaalsContact CZ-O 3.29Å; R15-T79 PolarHBondContact NH1-O 2.86Å; R15-G80 WeakPolarHBondContact CD-O 3.36Å; R15-T81 VanDerWaalsContact NH1-CA 3.28Å; R15-T81 PolarHBondContact NH1-OG1 3Å; R15-Q82 PolarHBondContact O-N 2.91Å; R15-G83 PolarHBondContact O-N 3.34Å
16I98.7Very high86Confident0 Ų051.4 Ų51.40%028%0.277CS..EExtended strand (participates in β ladder)trans-109.3133.7178.4-61.4-60000109.4M14 F59 N60 V61 W62 G83 I85 L169M14-I16 HydrophobicContact CE-CD1 3.66Å; M14-I16 HydrophobicContact CG-CD1 3.82Å; M14-I16 HydrophobicContact CG-CG1 4.39Å; M14-I16 PolarHBondContact O-N 3.48Å; M14-I16 HydrophobicContact SD-CD1 3.82Å; I16-F59 HydrophobicContact CD1-CD1 4.1Å; I16-F59 HydrophobicContact CG1-CB 4.28Å; I16-F59 HydrophobicContact CG1-CD1 3.65Å; I16-F59 HydrophobicContact CG1-CG 4.45Å; I16-N60 PolarHBondContact N-O 3.17Å; I16-V61 HydrophobicContact CB-CG2 4.3Å; I16-V61 HydrophobicContact CG2-CG1 4.27Å; I16-V61 WeakPolarHBondContact O-CA 3.37Å; I16-W62 PolarHBondContact O-N 2.76Å; I16-G83 VanDerWaalsContact CA-O 3.32Å; I16-G83 WeakPolarHBondContact CA-O 3.35Å; I16-I85 HydrophobicContact CG2-CB 4.22Å; I16-I85 HydrophobicContact CG2-CD1 3.66Å; I16-I85 HydrophobicContact CG2-CG1 3.65Å; I16-L169 HydrophobicContact CD1-CD1 4.33Å
17L98.8Very high88.2Confident0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-104.6122166.5-174.358.4000108.5L19 W62 V64 Y77 Y78 T81 G83 L84 I85 M112L17-L19 HydrophobicContact CD1-CD2 4.1Å; L17-L19 HydrophobicContact CD1-CG 4.43Å; L17-L19 HydrophobicContact CD2-CD1 3.78Å; L17-L19 HydrophobicContact CD2-CD2 4.43Å; L17-L19 HydrophobicContact CD2-CG 4.18Å; L17-L19 HydrophobicContact CG-CD1 4.03Å; L17-L19 HydrophobicContact CG-CD2 4.05Å; L17-L19 HydrophobicContact CG-CG 3.85Å; L17-W62 HydrophobicContact CD1-CB 3.74Å; L17-V64 HydrophobicContact CD1-CG2 3.77Å; L17-Y77 HydrophobicContact CD1-CG 4.43Å; L17-Y78 HydrophobicContact CD2-CD1 3.57Å; L17-Y78 HydrophobicContact CD2-CE1 4.01Å; L17-T81 HydrophobicContact CB-CG2 3.58Å; L17-G83 PolarHBondContact N-O 2.93Å; L17-L84 WeakPolarHBondContact O-CA 3.47Å; L17-I85 PolarHBondContact O-N 3.33Å; L17-M112 HydrophobicContact CD2-SD 4.46Å
18M98.9Very high90.5Very high1 Ų140.6 Ų40.61%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-105.2111.2178.8-172.1177.8-64.300110.2K26 I29 V61 W62 V64 I85 V87M18-K26 HydrophobicContact CG-CB 4.11Å; M18-K26 HydrophobicContact CG-CD 4.3Å; M18-K26 HydrophobicContact CG-CG 4.13Å; M18-K26 HydrophobicContact SD-CB 3.8Å; M18-K26 HydrophobicContact SD-CG 4.35Å; M18-I29 HydrophobicContact CE-CG2 4.02Å; M18-I29 HydrophobicContact SD-CG2 4.48Å; M18-V61 HydrophobicContact CB-CG1 3.99Å; M18-V61 HydrophobicContact CE-CG1 3.89Å; M18-W62 PolarHBondContact N-O 3.26Å; M18-V64 PolarHBondContact O-N 3.34Å; M18-I85 CarbonylContact C-O 3.48Å; M18-I85 VanDerWaalsContact CA-O 3.27Å; M18-I85 WeakPolarHBondContact CA-O 3.4Å; M18-I85 HydrophobicContact CB-CB 4.4Å; M18-I85 HydrophobicContact CE-CB 4.35Å; M18-I85 HydrophobicContact CE-CD1 4.02Å; M18-I85 HydrophobicContact CE-CG2 4.05Å; M18-I85 HydrophobicContact CG-CB 4.2Å; M18-I85 HydrophobicContact CG-CG2 4.07Å; M18-V87 HydrophobicContact CG-CG2 3.98Å; M18-V87 HydrophobicContact SD-CG2 4.14Å
19L98.9Very high92.6Very high0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-126.2174.3-177.3-56.9178.5000111.3L17 K26 V64 W74 Y78 L84 I85 F86 V87 I106L17-L19 HydrophobicContact CD1-CD2 4.1Å; L17-L19 HydrophobicContact CD1-CG 4.43Å; L17-L19 HydrophobicContact CD2-CD1 3.78Å; L17-L19 HydrophobicContact CD2-CD2 4.43Å; L17-L19 HydrophobicContact CD2-CG 4.18Å; L17-L19 HydrophobicContact CG-CD1 4.03Å; L17-L19 HydrophobicContact CG-CD2 4.05Å; L17-L19 HydrophobicContact CG-CG 3.85Å; L19-K26 VanDerWaalsContact C-CD 3.42Å; L19-K26 WeakPolarHBondContact O-CD 3.16Å; L19-V64 HydrophobicContact CD2-CB 3.73Å; L19-V64 HydrophobicContact CD2-CG1 4.48Å; L19-V64 HydrophobicContact CD2-CG2 3.95Å; L19-W74 HydrophobicContact CD1-CB 4.24Å; L19-W74 HydrophobicContact CD1-CD2 4.14Å; L19-W74 HydrophobicContact CD1-CE3 4.07Å; L19-W74 HydrophobicContact CD1-CG 4.28Å; L19-W74 HydrophobicContact CD2-CB 4.31Å; L19-W74 HydrophobicContact CD2-CD2 3.91Å; L19-W74 HydrophobicContact CD2-CG 3.79Å; L19-W74 HydrophobicContact CG-CD2 4.42Å; L19-Y78 HydrophobicContact CD1-CE1 4.02Å; L19-L84 HydrophobicContact CB-CD1 4.17Å; L19-L84 HydrophobicContact CD1-CD1 4.02Å; L19-L84 HydrophobicContact CG-CD1 4.1Å; L19-I85 PolarHBondContact N-O 2.87Å; L19-F86 HydrophobicContact CB-CD2 4.15Å; L19-F86 HydrophobicContact CB-CE2 4.48Å; L19-F86 CarbonylContact O-C 3.54Å; L19-F86 WeakPolarHBondContact O-CA 3.18Å; L19-V87 PolarHBondContact O-N 3.49Å; L19-I106 HydrophobicContact CB-CD1 4.11Å; L19-I106 HydrophobicContact CD1-CD1 3.57Å; L19-I106 HydrophobicContact CD1-CG1 3.91Å; L19-I106 HydrophobicContact CD1-CG2 4.15Å; L19-I106 HydrophobicContact CG-CD1 4.49Å
20G98.8Very high94.5Very high0 Ų026.6 Ų26.60%016%0.158CC..  trans139.1163.7-173.800000110.3K26 G66 W74G20-K26 PolarHBondContact O-NZ 2.97Å; G20-G66 WeakPolarHBondContact O-CA 3.37Å; G20-W74 WeakPolarHBondContact O-CZ2 3.24Å
21L98.8Very high96.3Very high12 Ų1227 Ų276%0.06314%0.143CC..  trans-60162.1-179-49.6-173.4000111.6A24 K26 R71 R95 E98 A99 E102L21-A24 VanDerWaalsContact O-CB 3.28Å; L21-A24 WeakPolarHBondContact O-CB 3.43Å; L21-A24 PolarHBondContact O-N 3.02Å; L21-K26 PolarHBondContact O-NZ 2.79Å; L21-R71 VanDerWaalsContact CD2-CZ 3.43Å; L21-R95 HydrophobicContact CD1-CB 3.73Å; L21-E98 HydrophobicContact CD1-CB 4.26Å; L21-E98 HydrophobicContact CD1-CG 4.2Å; L21-E98 HydrophobicContact CD2-CG 4.16Å; L21-A99 HydrophobicContact CD1-CB 3.93Å; L21-A99 HydrophobicContact CG-CB 4.07Å; L21-E102 HydrophobicContact CD2-CB 4.41Å; L21-E102 HydrophobicContact CD2-CG 3.79Å
22D98.1Very high97.6Very high45 Ų4524.8 Ų24.824%0.24113%0.13CC..THydrogen-bonded Turntrans-55.6151167.954.8-78.1000111.4A24 G66 Q67 R71 R95D22-A24 PolarHBondContact O-N 3.27Å; D22-G66 PolarHBondContact N-O 3Å; D22-Q67 HydrophobicContact CB-CG 4.1Å; D22-R71 IonicContact OD1-NH2 2.77Å; D22-R71 PolarHBondContact OD1-NH2 3.32Å; D22-R95 VanDerWaalsContact CG-NH1 3.34Å; D22-R95 PolarHBondContact O-NH2 3.3Å; D22-R95 IonicContact OD1-NH1 2.99Å; D22-R95 PolarHBondContact OD1-NH1 2.91Å; D22-R95 IonicContact OD2-CZ 3.23Å; D22-R95 IonicContact OD2-NH1 3.73Å; D22-R95 PolarHBondContact OD2-NH1 3.22Å; D22-R95 IonicContact OD2-NH2 3.26Å
23A97.5Very high98.1Very high68 Ų6821.7 Ų21.756%0.56212%0.117SC*.THydrogen-bonded Turntrans61.60.5-175.300000116.7G25 K123A23-G25 PolarHBondContact O-N 2.85Å; A23-G25 VanDerWaalsContact O-N 3.14Å; A23-K123 WeakPolarHBondContact O-CE 3.36Å; A23-K123 PolarHBondContact O-NZ 2.89Å
24A98.5Very high98.2Very high2 Ų220.8 Ų20.82%0.01711%0.111CC..SBendtrans-63.5-19.4177.900000114.8L21 D22 V87 N122L21-A24 VanDerWaalsContact O-CB 3.28Å; L21-A24 WeakPolarHBondContact O-CB 3.43Å; L21-A24 PolarHBondContact O-N 3.02Å; D22-A24 PolarHBondContact O-N 3.27Å; A24-V87 HydrophobicContact CB-CB 4.32Å; A24-V87 HydrophobicContact CB-CG1 4.08Å; A24-V87 WeakPolarHBondContact CB-O 3.36Å; A24-V87 WeakPolarHBondContact O-CG1 3.3Å; A24-N122 PolarHBondContact O-ND2 3.34Å
25G98.4Very high98.2Very high14 Ų1425 Ų2514%0.14413%0.133CC..SBendtrans103.216.317600000115.8A23 T27 T28 I29A23-G25 PolarHBondContact O-N 2.85Å; A23-G25 VanDerWaalsContact O-N 3.14Å; G25-T27 PolarHBondContact O-N 2.89Å; G25-T28 WeakPolarHBondContact O-CB 3.39Å; G25-T28 PolarHBondContact O-N 2.86Å; G25-I29 WeakPolarHBondContact O-CG1 3.41Å; G25-I29 PolarHBondContact O-N 3.23Å
26K98.6Very high98.1Very high12 Ų1224.9 Ų24.95%0.05215%0.147CC..Hα-helixtrans-52.3-56.9-179.3-60.8-176.9-63.1-71.50113.4M18 L19 G20 L21 T28 I29 L30 D63 V64 V87M18-K26 HydrophobicContact CG-CB 4.11Å; M18-K26 HydrophobicContact CG-CD 4.3Å; M18-K26 HydrophobicContact CG-CG 4.13Å; M18-K26 HydrophobicContact SD-CB 3.8Å; M18-K26 HydrophobicContact SD-CG 4.35Å; L19-K26 VanDerWaalsContact C-CD 3.42Å; L19-K26 WeakPolarHBondContact O-CD 3.16Å; G20-K26 PolarHBondContact O-NZ 2.97Å; L21-K26 PolarHBondContact O-NZ 2.79Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 3.44Å; K26-I29 WeakPolarHBondContact O-CB 3.35Å; K26-I29 PolarHBondContact O-N 2.85Å; K26-I29 VanDerWaalsContact O-N 3.15Å; K26-L30 PolarHBondContact O-N 3.1Å; K26-D63 WeakPolarHBondContact CB-OD1 3.47Å; K26-V64 WeakPolarHBondContact CE-O 3.04Å; K26-V87 HydrophobicContact CB-CG2 4.48Å; K26-V87 HydrophobicContact CG-CB 3.78Å; K26-V87 HydrophobicContact CG-CG1 4.46Å; K26-V87 HydrophobicContact CG-CG2 3.74Å
27T98.3Very high97.7Very high18 Ų1830.7 Ų30.711%0.1117%0.174CC..Hα-helixtrans-64.5-34.3-179.3-470000112.2G25 L30 Y31 T41 T44 D63G25-T27 PolarHBondContact O-N 2.89Å; T27-L30 PolarHBondContact O-N 2.8Å; T27-Y31 HydrophobicContact CG2-CD2 3.72Å; T27-Y31 HydrophobicContact CG2-CE2 3.47Å; T27-Y31 VanDerWaalsContact CG2-CE2 3.47Å; T27-Y31 WeakPolarHBondContact O-CD2 3.35Å; T27-Y31 PolarHBondContact O-N 3.49Å; T27-T41 HydrophobicContact CG2-CG2 3.61Å; T27-T44 PolarHBondContact OG1-OG1 3.41Å; T27-D63 WeakPolarHBondContact CB-OD2 3.45Å; T27-D63 PolarHBondContact OG1-OD2 2.86Å
28T98.4Very high97.2Very high19 Ų1933.4 Ų33.412%0.11719%0.193CC..Hα-helixtrans-64.3-45.1173.4-47.10000111.2G25 K26 L30 Y31 K32 A156 T157G25-T28 WeakPolarHBondContact O-CB 3.39Å; G25-T28 PolarHBondContact O-N 2.86Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 3.44Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-Y31 PolarHBondContact O-N 3Å; T28-K32 VanDerWaalsContact O-CB 3.23Å; T28-K32 WeakPolarHBondContact O-CB 3.49Å; T28-K32 PolarHBondContact O-N 3.48Å; T28-A156 HydrophobicContact CG2-CB 3.77Å; T28-T157 HydrophobicContact CG2-CG2 4.3Å
29I98.8Very high96.7Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-58.5-47.7173.8-70.9174.3000110.1M18 G25 K26 Y31 K32 L33 V87 F120 N122 A156 L162M18-I29 HydrophobicContact CE-CG2 4.02Å; M18-I29 HydrophobicContact SD-CG2 4.48Å; G25-I29 WeakPolarHBondContact O-CG1 3.41Å; G25-I29 PolarHBondContact O-N 3.23Å; K26-I29 WeakPolarHBondContact O-CB 3.35Å; K26-I29 PolarHBondContact O-N 2.85Å; K26-I29 VanDerWaalsContact O-N 3.15Å; I29-Y31 PolarHBondContact O-N 3.34Å; I29-K32 PolarHBondContact O-N 2.98Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.44Å; I29-L33 WeakPolarHBondContact O-CB 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.46Å; I29-L33 PolarHBondContact O-N 3.26Å; I29-V87 HydrophobicContact CD1-CB 4.5Å; I29-V87 HydrophobicContact CD1-CG1 3.67Å; I29-V87 HydrophobicContact CD1-CG2 3.94Å; I29-F120 HydrophobicContact CD1-CB 4.16Å; I29-F120 HydrophobicContact CD1-CD2 3.96Å; I29-F120 HydrophobicContact CD1-CG 4.21Å; I29-F120 HydrophobicContact CG2-CD2 4.39Å; I29-F120 HydrophobicContact CG2-CE2 4.15Å; I29-N122 HydrophobicContact CD1-CB 4.49Å; I29-A156 HydrophobicContact CD1-CB 4.44Å; I29-A156 HydrophobicContact CG1-CB 3.48Å; I29-A156 VanDerWaalsContact CG1-CB 3.48Å; I29-L162 HydrophobicContact CB-CD2 4.47Å; I29-L162 HydrophobicContact CD1-CD2 4.17Å; I29-L162 HydrophobicContact CG1-CD2 3.91Å; I29-L162 HydrophobicContact CG2-CD1 4.29Å; I29-L162 HydrophobicContact CG2-CD2 3.95Å
30L98.5Very high96.3Very high0 Ų042.8 Ų42.80%025%0.251CS..Hα-helixtrans-58.5-51.6-178.817858.4000111.5K26 T27 T28 L33 K34 E50 V52 V61 D63K26-L30 PolarHBondContact O-N 3.1Å; T27-L30 PolarHBondContact O-N 2.8Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-L30 PolarHBondContact O-N 2.93Å; L30-L33 PolarHBondContact O-N 2.85Å; L30-K34 VanDerWaalsContact O-CB 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.46Å; L30-K34 PolarHBondContact O-N 3.39Å; L30-E50 HydrophobicContact CD1-CB 3.88Å; L30-E50 HydrophobicContact CD2-CB 3.97Å; L30-E50 HydrophobicContact CD2-CG 3.98Å; L30-E50 HydrophobicContact CG-CB 4.2Å; L30-E50 HydrophobicContact CG-CG 4.4Å; L30-V52 HydrophobicContact CD1-CG2 3.79Å; L30-V61 HydrophobicContact CD1-CB 3.93Å; L30-V61 HydrophobicContact CD1-CG1 4.05Å; L30-V61 HydrophobicContact CD1-CG2 4.25Å; L30-D63 HydrophobicContact CD2-CB 3.67Å
31Y97.8Very high96Very high61 Ų6145.3 Ų45.324%0.23927%0.266CS..Hα-helixtrans-70.9-31.4-179.6-72.5-50.3000113T27 T28 I29 K34 L35 T41T27-Y31 HydrophobicContact CG2-CD2 3.72Å; T27-Y31 HydrophobicContact CG2-CE2 3.47Å; T27-Y31 VanDerWaalsContact CG2-CE2 3.47Å; T27-Y31 WeakPolarHBondContact O-CD2 3.35Å; T27-Y31 PolarHBondContact O-N 3.49Å; T28-Y31 PolarHBondContact O-N 3Å; I29-Y31 PolarHBondContact O-N 3.34Å; Y31-K34 PolarHBondContact O-N 2.87Å; Y31-L35 HydrophobicContact CD1-CD1 3.92Å; Y31-L35 HydrophobicContact CD1-CG 4.42Å; Y31-L35 HydrophobicContact CG-CD1 4.4Å; Y31-L35 WeakPolarHBondContact O-CA 3.25Å; Y31-L35 VanDerWaalsContact O-CB 3.3Å; Y31-L35 WeakPolarHBondContact O-CB 3.36Å; Y31-L35 PolarHBondContact O-N 3.35Å; Y31-T41 HydrophobicContact CD2-CG2 4.34Å
32K98.1Very high95.6Very high32 Ų3251.5 Ų51.514%0.13930%0.298CS..Hα-helixtrans-61.2-46.8171.7-175.369.7-180-163.80111.2T28 I29 G36 A156 T157 S158 L162T28-K32 VanDerWaalsContact O-CB 3.23Å; T28-K32 WeakPolarHBondContact O-CB 3.49Å; T28-K32 PolarHBondContact O-N 3.48Å; I29-K32 PolarHBondContact O-N 2.98Å; K32-G36 WeakPolarHBondContact O-CA 3.47Å; K32-G36 PolarHBondContact O-N 3.46Å; K32-A156 WeakPolarHBondContact CB-O 3.43Å; K32-A156 VanDerWaalsContact CG-O 3.31Å; K32-A156 WeakPolarHBondContact CG-O 3.45Å; K32-T157 PolarHBondContact NZ-O 3.19Å; K32-S158 VanDerWaalsContact CE-C 3.47Å; K32-S158 WeakPolarHBondContact CE-O 3.42Å; K32-S158 PolarHBondContact NZ-O 2.95Å; K32-L162 HydrophobicContact CB-CD1 4.02Å; K32-L162 HydrophobicContact CG-CD1 3.78Å
33L98.1Very high95.4Very high15 Ų1554 Ų548%0.07932%0.316CS..Hα-helixtrans-65.6-37.8177-75.7172.2000112.6I29 L30 V52 L162 Y163 L166I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.44Å; I29-L33 WeakPolarHBondContact O-CB 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.46Å; I29-L33 PolarHBondContact O-N 3.26Å; L30-L33 PolarHBondContact O-N 2.85Å; L33-V52 HydrophobicContact CB-CG1 3.92Å; L33-V52 HydrophobicContact CB-CG2 4.14Å; L33-L162 HydrophobicContact CD2-CB 3.8Å; L33-L162 HydrophobicContact CD2-CD1 4.47Å; L33-L162 HydrophobicContact CG-CB 4.31Å; L33-L162 HydrophobicContact CG-CD1 4.25Å; L33-Y163 HydrophobicContact CD2-CD1 4Å; L33-Y163 HydrophobicContact CD2-CE1 3.8Å; L33-L166 HydrophobicContact CD1-CD1 4.17Å; L33-L166 HydrophobicContact CD1-CD2 4.5Å; L33-L166 HydrophobicContact CD2-CD1 3.74Å; L33-L166 HydrophobicContact CD2-CG 4.4Å
34K96.9Very high95.1Very high87 Ų8751.9 Ų51.938%0.37830%0.296SS..Hα-helixtrans-78.7-42.6-175.917961.5169.7-172.60113.5L30 Y31 E50 T51 V52L30-K34 VanDerWaalsContact O-CB 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.46Å; L30-K34 PolarHBondContact O-N 3.39Å; Y31-K34 PolarHBondContact O-N 2.87Å; K34-E50 VanDerWaalsContact CE-OE2 3.27Å; K34-E50 WeakPolarHBondContact CE-OE2 3.32Å; K34-E50 IonicContact NZ-OE2 2.64Å; K34-T51 WeakPolarHBondContact CD-O 3.19Å; K34-T51 PolarHBondContact NZ-O 3.25Å; K34-V52 HydrophobicContact CB-CG2 4.36Å
35L96.2Very high94.6Very high91 Ų9158.4 Ų58.448%0.47634%0.336SS..Hα-helixtrans-112-8.7-168.8-54.8176.3000112.9Y31 Q37 V39Y31-L35 HydrophobicContact CD1-CD1 3.92Å; Y31-L35 HydrophobicContact CD1-CG 4.42Å; Y31-L35 HydrophobicContact CG-CD1 4.4Å; Y31-L35 WeakPolarHBondContact O-CA 3.25Å; Y31-L35 VanDerWaalsContact O-CB 3.3Å; Y31-L35 WeakPolarHBondContact O-CB 3.36Å; Y31-L35 PolarHBondContact O-N 3.35Å; L35-Q37 HydrophobicContact CB-CG 4.08Å; L35-Q37 PolarHBondContact O-N 3.26Å; L35-V39 HydrophobicContact CD1-CG2 4.02Å
36G94.6Very high94.3Very high45 Ų4558.9 Ų58.946%0.46434%0.341SS..SBendtrans74.1-4.3-175.800000114.6K32K32-G36 WeakPolarHBondContact O-CA 3.47Å; K32-G36 PolarHBondContact O-N 3.46Å
37Q91.4Very high94.2Very high122 Ų12262.8 Ų62.857%0.5736%0.358SS*.SBendtrans-130151.1-17662-175.1-30.900111.7L35L35-Q37 HydrophobicContact CB-CG 4.08Å; L35-Q37 PolarHBondContact O-N 3.26Å
38S87.7Confident93.9Very high58 Ų5863.9 Ų63.941%0.40636%0.363SS..  trans-75134.4173.1-172.50000109.4
39V89.1Confident93.9Very high56 Ų5665.6 Ų65.634%0.33937%0.374SS..  trans-118.4141.6176.1-178.40000108L35 T41L35-V39 HydrophobicContact CD1-CG2 4.02Å; V39-T41 PolarHBondContact O-N 2.85Å
40T89.3Confident93.8Very high142 Ų14268 Ų6887%0.87139%0.385SS*.  trans-64.4122.3171.9-56.60000109.5
41T91.9Very high93.8Very high52 Ų5270.3 Ų70.332%0.31940%0.399SS..  trans-108.7140.4-178.2590000111T27 Y31 V39T27-T41 HydrophobicContact CG2-CG2 3.61Å; Y31-T41 HydrophobicContact CD2-CG2 4.34Å; V39-T41 PolarHBondContact O-N 2.85Å
42I91.6Very high93.8Very high142 Ų14267.6 Ų67.673%0.72839%0.389SS*.PPolyproline II helixtrans-95.7161.7164.862.6173000109.7T44I42-T44 PolarHBondContact O-N 3.5Å; I42-T44 VanDerWaalsContact O-N 3.15Å
43P93.4Very high93.7Very high97 Ų9770.2 Ų70.263%0.6341%0.408SS*.PPolyproline II helixtrans-51.7122174.2-27.635.8000111.9V45P43-V45 PolarHBondContact O-N 3.49Å
44T91.8Very high93.5Very high24 Ų2471.5 Ų71.515%0.14741%0.412CS..PPolyproline II helixtrans-64.9124.9179.3-49.40000110.1T27 I42 Q67T27-T44 PolarHBondContact OG1-OG1 3.41Å; I42-T44 PolarHBondContact O-N 3.5Å; I42-T44 VanDerWaalsContact O-N 3.15Å; T44-Q67 PolarHBondContact O-NE2 2.79Å; T44-Q67 VanDerWaalsContact O-NE2 3.15Å; T44-Q67 PolarHBondContact O-OE1 3.01Å
45V88.7Confident93.2Very high139 Ų13973.5 Ų73.584%0.84242%0.42SS*.SBendtrans-91.4113.1171.6179.90000107.7P43 F47P43-V45 PolarHBondContact O-N 3.49Å; V45-F47 PolarHBondContact O-N 2.96Å
46G92.1Very high92.8Very high24 Ų2474.3 Ų74.325%0.24743%0.425CS..SBendtrans74.8-110.8-176.600000111.9V64 G65G46-V64 WeakPolarHBondContact O-CG1 3.46Å; G46-G65 PolarHBondContact O-N 2.86Å
47F94.7Very high92.8Very high94 Ų9472.5 Ų72.541%0.41241%0.405SS..EExtended strand (participates in β ladder)trans-147.3159.5-17573.6-79.5000112.9V45 V49 W62 D63 V64 Y77V45-F47 PolarHBondContact O-N 2.96Å; F47-V49 HydrophobicContact CD2-CG2 3.62Å; F47-V49 HydrophobicContact CE2-CG2 3.61Å; F47-W62 AromaticContact CD2-CE3 3.63Å; F47-W62 HydrophobicContact CD2-CE3 3.63Å; F47-W62 AromaticContact CD2-CZ3 3.63Å; F47-W62 HydrophobicContact CD2-CZ3 3.63Å; F47-W62 AromaticContact CE2-CE3 3.85Å; F47-W62 HydrophobicContact CE2-CE3 3.85Å; F47-W62 HydrophobicContact CE2-CH2 4.2Å; F47-W62 AromaticContact CE2-CZ3 3.33Å; F47-W62 HydrophobicContact CE2-CZ3 3.33Å; F47-W62 HydrophobicContact CG-CE3 4.45Å; F47-W62 HydrophobicContact CZ-CZ3 4.02Å; F47-D63 CarbonylContact C-O 3.58Å; F47-D63 WeakPolarHBondContact CA-O 3.12Å; F47-V64 HydrophobicContact CB-CG1 4.49Å; F47-V64 HydrophobicContact CB-CG2 4.14Å; F47-Y77 HydrophobicContact CB-CE1 4.23Å; F47-Y77 AromaticContact CD1-CE1 3.73Å; F47-Y77 HydrophobicContact CD1-CE1 3.73Å; F47-Y77 AromaticContact CD1-CZ 3.72Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.3Å; F47-Y77 HydrophobicContact CD2-CE1 4.31Å; F47-Y77 HydrophobicContact CE1-CE1 4.12Å; F47-Y77 AromaticContact CG-CE1 3.82Å; F47-Y77 HydrophobicContact CG-CE1 3.82Å; F47-Y77 AromaticContact CG-CZ 3.99Å
48N93.9Very high93Very high41 Ų4170 Ų7022%0.21939%0.392CS..EExtended strand (participates in β ladder)trans-126.2147.6169.6-177.445.2000109.4E50 D63N48-E50 WeakPolarHBondContact ND2-CG 3.29Å; N48-D63 HydrophobicContact CB-CB 4.45Å; N48-D63 PolarHBondContact N-O 3.17Å; N48-D63 PolarHBondContact O-N 3.33Å
49V97.1Very high93.5Very high56 Ų5667.2 Ų67.234%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-127124.9176.7-173.20000109.9F47 V61 W62F47-V49 HydrophobicContact CD2-CG2 3.62Å; F47-V49 HydrophobicContact CE2-CG2 3.61Å; V49-V61 WeakPolarHBondContact CA-O 3.29Å; V49-W62 HydrophobicContact CG1-CD2 4.5Å; V49-W62 HydrophobicContact CG2-CD2 3.6Å; V49-W62 HydrophobicContact CG2-CE3 3.48Å; V49-W62 VanDerWaalsContact CG2-CE3 3.48Å; V49-W62 HydrophobicContact CG2-CG 4.23Å; V49-W62 HydrophobicContact CG2-CH2 3.99Å; V49-W62 HydrophobicContact CG2-CZ2 4.08Å; V49-W62 HydrophobicContact CG2-CZ3 3.7Å
50E97.9Very high94Very high51 Ų5166.5 Ų66.524%0.23837%0.367CS..EExtended strand (participates in β ladder)trans-137.6141.9-179.4-76-66.5169.400110.9L30 K34 N48 V61L30-E50 HydrophobicContact CD1-CB 3.88Å; L30-E50 HydrophobicContact CD2-CB 3.97Å; L30-E50 HydrophobicContact CD2-CG 3.98Å; L30-E50 HydrophobicContact CG-CB 4.2Å; L30-E50 HydrophobicContact CG-CG 4.4Å; K34-E50 VanDerWaalsContact CE-OE2 3.27Å; K34-E50 WeakPolarHBondContact CE-OE2 3.32Å; K34-E50 IonicContact NZ-OE2 2.64Å; N48-E50 WeakPolarHBondContact ND2-CG 3.29Å; E50-V61 PolarHBondContact N-O 3.17Å; E50-V61 PolarHBondContact O-N 2.92Å
51T97.9Very high94.4Very high48 Ų4860 Ų6029%0.29433%0.327SS..EExtended strand (participates in β ladder)trans-91.9115.3170.7-55.90000109.8K34 K58 F59 N60K34-T51 WeakPolarHBondContact CD-O 3.19Å; K34-T51 PolarHBondContact NZ-O 3.25Å; T51-K58 HydrophobicContact CG2-CB 3.95Å; T51-K58 HydrophobicContact CG2-CD 4.36Å; T51-K58 HydrophobicContact CG2-CG 4.24Å; T51-F59 CarbonylContact C-O 3.58Å; T51-F59 VanDerWaalsContact CA-O 3.29Å; T51-F59 WeakPolarHBondContact CA-O 3.41Å; T51-N60 PolarHBondContact OG1-OD1 2.79Å
52V97.5Very high94.7Very high3 Ų360.5 Ų60.52%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-98124.5170.8174.50000108.5L30 L33 K34 F59 V61 L166L30-V52 HydrophobicContact CD1-CG2 3.79Å; L33-V52 HydrophobicContact CB-CG1 3.92Å; L33-V52 HydrophobicContact CB-CG2 4.14Å; K34-V52 HydrophobicContact CB-CG2 4.36Å; V52-F59 HydrophobicContact CB-CB 4.36Å; V52-F59 PolarHBondContact N-O 3.15Å; V52-F59 PolarHBondContact O-N 3.22Å; V52-V61 HydrophobicContact CG2-CG2 4.23Å; V52-L166 HydrophobicContact CG1-CD1 4.27Å
53T95.3Very high95.1Very high88 Ų8853.8 Ų53.854%0.5429%0.289SS..EExtended strand (participates in β ladder)trans-99.5123.7174.8-570000109.2
54Y94.7Very high95.3Very high42 Ų4249.3 Ų49.317%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-136.9123.9174176.6-105.4000109.6N56 V57 Y163 L166 T167Y54-N56 PolarHBondContact O-N 3.41Å; Y54-V57 PolarHBondContact N-O 3.22Å; Y54-V57 PolarHBondContact O-N 2.92Å; Y54-V57 VanDerWaalsContact O-N 3.08Å; Y54-Y163 AromaticContact CD2-CD1 3.49Å; Y54-Y163 HydrophobicContact CD2-CD1 3.49Å; Y54-Y163 VanDerWaalsContact CD2-CD1 3.49Å; Y54-Y163 HydrophobicContact CD2-CE1 4.05Å; Y54-Y163 HydrophobicContact CD2-CG 4.49Å; Y54-Y163 AromaticContact CE2-CD1 3.46Å; Y54-Y163 HydrophobicContact CE2-CD1 3.46Å; Y54-Y163 VanDerWaalsContact CE2-CD1 3.46Å; Y54-Y163 HydrophobicContact CE2-CE1 4.33Å; Y54-Y163 HydrophobicContact CE2-CG 4.04Å; Y54-Y163 HydrophobicContact CG-CD1 4.46Å; Y54-Y163 PolarHBondContact OH-O 3.3Å; Y54-L166 HydrophobicContact CD1-CB 3.73Å; Y54-L166 HydrophobicContact CD1-CD1 4.36Å; Y54-L166 HydrophobicContact CE1-CB 4.07Å; Y54-L166 HydrophobicContact CG-CB 4.22Å; Y54-L166 HydrophobicContact CG-CD1 4.02Å; Y54-T167 WeakPolarHBondContact CE1-OG1 3.48Å; Y54-T167 PolarHBondContact OH-OG1 3.26Å
55K90.6Very high95.6Very high129 Ų12948.2 Ų48.256%0.56125%0.253SS*.THydrogen-bonded Turntrans52.5-128.9-167.7-59.1176.2179165.10110.1T167K55-T167 PolarHBondContact NZ-OG1 3.47Å; K55-T167 VanDerWaalsContact NZ-OG1 3.17Å
56N88.6Confident96Very high108 Ų10841.6 Ų41.658%0.57821%0.213SC*.THydrogen-bonded Turntrans-95.720.2178.165-33.8000113.3N11 K12 Y54N11-N56 WeakPolarHBondContact CA-O 3.27Å; N11-N56 PolarHBondContact OD1-O 2.95Å; K12-N56 PolarHBondContact N-O 3.34Å; K12-N56 VanDerWaalsContact N-O 3.14Å; Y54-N56 PolarHBondContact O-N 3.41Å
57V93.8Very high96.2Very high6 Ų643 Ų434%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-119.3131.8-177.6-172.60000110.6K12 M14 Y54 F59 T170K12-V57 HydrophobicContact CB-CG2 4.25Å; K12-V57 CarbonylContact O-C 3.54Å; K12-V57 VanDerWaalsContact O-CA 3.26Å; K12-V57 WeakPolarHBondContact O-CA 3.44Å; K12-V57 WeakPolarHBondContact O-CG1 3.32Å; M14-V57 HydrophobicContact CB-CG1 4.39Å; Y54-V57 PolarHBondContact N-O 3.22Å; Y54-V57 PolarHBondContact O-N 2.92Å; Y54-V57 VanDerWaalsContact O-N 3.08Å; V57-F59 HydrophobicContact CB-CE2 3.93Å; V57-F59 HydrophobicContact CB-CZ 4.29Å; V57-F59 HydrophobicContact CG1-CD1 4.49Å; V57-F59 HydrophobicContact CG1-CD2 4.18Å; V57-F59 HydrophobicContact CG1-CE1 4.19Å; V57-F59 HydrophobicContact CG1-CE2 3.79Å; V57-F59 HydrophobicContact CG1-CZ 3.85Å; V57-T170 HydrophobicContact CB-CG2 4.06Å; V57-T170 HydrophobicContact CG1-CG2 4.31Å; V57-T170 HydrophobicContact CG2-CG2 3.64Å
58K96.5Very high96.3Very high69 Ų6943.7 Ų43.730%0.322%0.221SC..EExtended strand (participates in β ladder)trans-100114.7169.6-69.5-179.3177.6-178.40109.3N11 K12 E13 M14 T51N11-K58 HydrophobicContact CB-CD 4.3Å; N11-K58 HydrophobicContact CB-CG 4.16Å; K12-K58 PolarHBondContact O-N 3.38Å; E13-K58 CarbonylContact C-O 3.57Å; E13-K58 WeakPolarHBondContact CA-O 3.36Å; E13-K58 HydrophobicContact CG-CB 4.24Å; M14-K58 PolarHBondContact N-O 2.72Å; T51-K58 HydrophobicContact CG2-CB 3.95Å; T51-K58 HydrophobicContact CG2-CD 4.36Å; T51-K58 HydrophobicContact CG2-CG 4.24Å
59F98Very high96.4Very high1 Ų151 Ų510%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-91.4113.9173.7-62.6-88.3000109M14 I16 T51 V52 V57 V61 L166 L169 T170M14-F59 HydrophobicContact CB-CD1 4.08Å; M14-F59 HydrophobicContact CB-CE1 4.38Å; M14-F59 HydrophobicContact CG-CD1 4.47Å; M14-F59 CarbonylContact O-C 3.58Å; M14-F59 WeakPolarHBondContact O-CA 3.26Å; M14-F59 HydrophobicContact SD-CD1 4.25Å; M14-F59 HydrophobicContact SD-CE1 3.85Å; I16-F59 HydrophobicContact CD1-CD1 4.1Å; I16-F59 HydrophobicContact CG1-CB 4.28Å; I16-F59 HydrophobicContact CG1-CD1 3.65Å; I16-F59 HydrophobicContact CG1-CG 4.45Å; T51-F59 CarbonylContact C-O 3.58Å; T51-F59 VanDerWaalsContact CA-O 3.29Å; T51-F59 WeakPolarHBondContact CA-O 3.41Å; V52-F59 HydrophobicContact CB-CB 4.36Å; V52-F59 PolarHBondContact N-O 3.15Å; V52-F59 PolarHBondContact O-N 3.22Å; V57-F59 HydrophobicContact CB-CE2 3.93Å; V57-F59 HydrophobicContact CB-CZ 4.29Å; V57-F59 HydrophobicContact CG1-CD1 4.49Å; V57-F59 HydrophobicContact CG1-CD2 4.18Å; V57-F59 HydrophobicContact CG1-CE1 4.19Å; V57-F59 HydrophobicContact CG1-CE2 3.79Å; V57-F59 HydrophobicContact CG1-CZ 3.85Å; F59-V61 HydrophobicContact CB-CG2 3.94Å; F59-V61 PolarHBondContact O-N 3.48Å; F59-L166 HydrophobicContact CE1-CD2 4.44Å; F59-L166 HydrophobicContact CE2-CB 4.45Å; F59-L166 HydrophobicContact CE2-CD1 4.34Å; F59-L166 HydrophobicContact CE2-CD2 4.43Å; F59-L166 HydrophobicContact CZ-CB 4.35Å; F59-L166 HydrophobicContact CZ-CD2 4.28Å; F59-L169 HydrophobicContact CE1-CB 4.35Å; F59-L169 HydrophobicContact CE1-CD1 4.44Å; F59-T170 HydrophobicContact CE1-CG2 4.45Å; F59-T170 HydrophobicContact CE2-CG2 4.16Å; F59-T170 HydrophobicContact CZ-CG2 3.51Å
60N98.2Very high96.3Very high40 Ų4050 Ų5021%0.21424%0.243CC..EExtended strand (participates in β ladder)trans-87.894.4171.8-65.6-42.7000107.4E13 M14 I16 T51E13-N60 PolarHBondContact OE2-ND2 3.14Å; M14-N60 PolarHBondContact O-N 3.29Å; I16-N60 PolarHBondContact N-O 3.17Å; T51-N60 PolarHBondContact OG1-OD1 2.79Å
61V98.8Very high96.3Very high5 Ų548 Ų483%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-93.5121.3-170.6-171.10000110.1I16 M18 L30 V49 E50 V52 F59I16-V61 HydrophobicContact CB-CG2 4.3Å; I16-V61 HydrophobicContact CG2-CG1 4.27Å; I16-V61 WeakPolarHBondContact O-CA 3.37Å; M18-V61 HydrophobicContact CB-CG1 3.99Å; M18-V61 HydrophobicContact CE-CG1 3.89Å; L30-V61 HydrophobicContact CD1-CB 3.93Å; L30-V61 HydrophobicContact CD1-CG1 4.05Å; L30-V61 HydrophobicContact CD1-CG2 4.25Å; V49-V61 WeakPolarHBondContact CA-O 3.29Å; E50-V61 PolarHBondContact N-O 3.17Å; E50-V61 PolarHBondContact O-N 2.92Å; V52-V61 HydrophobicContact CG2-CG2 4.23Å; F59-V61 HydrophobicContact CB-CG2 3.94Å; F59-V61 PolarHBondContact O-N 3.48Å
62W98.6Very high96.2Very high64 Ų6448.8 Ų48.824%0.24224%0.24CC..EExtended strand (participates in β ladder)trans-94100.3169.2-67.172.1000108.5I16 L17 M18 F47 V49 Y77I16-W62 PolarHBondContact O-N 2.76Å; L17-W62 HydrophobicContact CD1-CB 3.74Å; M18-W62 PolarHBondContact N-O 3.26Å; F47-W62 AromaticContact CD2-CE3 3.63Å; F47-W62 HydrophobicContact CD2-CE3 3.63Å; F47-W62 AromaticContact CD2-CZ3 3.63Å; F47-W62 HydrophobicContact CD2-CZ3 3.63Å; F47-W62 AromaticContact CE2-CE3 3.85Å; F47-W62 HydrophobicContact CE2-CE3 3.85Å; F47-W62 HydrophobicContact CE2-CH2 4.2Å; F47-W62 AromaticContact CE2-CZ3 3.33Å; F47-W62 HydrophobicContact CE2-CZ3 3.33Å; F47-W62 HydrophobicContact CG-CE3 4.45Å; F47-W62 HydrophobicContact CZ-CZ3 4.02Å; V49-W62 HydrophobicContact CG1-CD2 4.5Å; V49-W62 HydrophobicContact CG2-CD2 3.6Å; V49-W62 HydrophobicContact CG2-CE3 3.48Å; V49-W62 VanDerWaalsContact CG2-CE3 3.48Å; V49-W62 HydrophobicContact CG2-CG 4.23Å; V49-W62 HydrophobicContact CG2-CH2 3.99Å; V49-W62 HydrophobicContact CG2-CZ2 4.08Å; V49-W62 HydrophobicContact CG2-CZ3 3.7Å; W62-Y77 AromaticContact CE3-CD1 3.66Å; W62-Y77 HydrophobicContact CE3-CD1 3.66Å; W62-Y77 HydrophobicContact CE3-CE1 4.11Å; W62-Y77 AromaticContact CZ3-CD1 3.87Å; W62-Y77 HydrophobicContact CZ3-CD1 3.87Å; W62-Y77 HydrophobicContact CZ3-CE1 4.07Å
63D98.4Very high96.1Very high0 Ų052.3 Ų52.30%026%0.258CS..EExtended strand (participates in β ladder)trans-86.2117.1172.1172.741.5000109K26 T27 L30 F47 N48K26-D63 WeakPolarHBondContact CB-OD1 3.47Å; T27-D63 WeakPolarHBondContact CB-OD2 3.45Å; T27-D63 PolarHBondContact OG1-OD2 2.86Å; L30-D63 HydrophobicContact CD2-CB 3.67Å; F47-D63 CarbonylContact C-O 3.58Å; F47-D63 WeakPolarHBondContact CA-O 3.12Å; N48-D63 HydrophobicContact CB-CB 4.45Å; N48-D63 PolarHBondContact N-O 3.17Å; N48-D63 PolarHBondContact O-N 3.33Å
64V98.2Very high96.3Very high3 Ų348.2 Ų48.22%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-115137.8-175.8-170.10000109.3L17 M18 L19 K26 G46 F47 Y77L17-V64 HydrophobicContact CD1-CG2 3.77Å; M18-V64 PolarHBondContact O-N 3.34Å; L19-V64 HydrophobicContact CD2-CB 3.73Å; L19-V64 HydrophobicContact CD2-CG1 4.48Å; L19-V64 HydrophobicContact CD2-CG2 3.95Å; K26-V64 WeakPolarHBondContact CE-O 3.04Å; G46-V64 WeakPolarHBondContact O-CG1 3.46Å; F47-V64 HydrophobicContact CB-CG1 4.49Å; F47-V64 HydrophobicContact CB-CG2 4.14Å; V64-Y77 HydrophobicContact CG1-CD2 4.05Å; V64-Y77 HydrophobicContact CG1-CE2 3.73Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.1Å; V64-Y77 HydrophobicContact CG2-CG 4.16Å
65G97.3Very high96.4Very high1 Ų152.3 Ų52.31%0.0125%0.248CC..  trans-58.4148.1178.300000111.9G46 I70 W74G46-G65 PolarHBondContact O-N 2.86Å; G65-I70 VanDerWaalsContact CA-CD1 3.42Å; G65-I70 VanDerWaalsContact O-CD1 3.24Å; G65-I70 WeakPolarHBondContact O-CD1 3.47Å; G65-W74 PolarHBondContact O-NE1 2.84Å
66G97.5Very high96.7Very high1 Ų151.9 Ų51.91%0.0125%0.248CC..  trans-112.710.5-172.600000115.4G20 D22 R71G20-G66 WeakPolarHBondContact O-CA 3.37Å; D22-G66 PolarHBondContact N-O 3Å; G66-R71 PolarHBondContact O-NE 2.88Å; G66-R71 PolarHBondContact O-NH2 3.37Å
67Q96.9Very high97.2Very high53 Ų5348.3 Ų48.325%0.24823%0.226CC..  trans-69.5142.9179.6-48.785.825.200109.5D22 T44 K69 I70 R71D22-Q67 HydrophobicContact CB-CG 4.1Å; T44-Q67 PolarHBondContact O-NE2 2.79Å; T44-Q67 VanDerWaalsContact O-NE2 3.15Å; T44-Q67 PolarHBondContact O-OE1 3.01Å; Q67-K69 VanDerWaalsContact C-N 3.28Å; Q67-K69 PolarHBondContact O-N 3.17Å; Q67-K69 VanDerWaalsContact O-N 3.11Å; Q67-I70 HydrophobicContact CB-CG1 4.31Å; Q67-I70 WeakPolarHBondContact O-CG1 3.38Å; Q67-I70 PolarHBondContact O-N 3.48Å; Q67-R71 WeakPolarHBondContact O-CG 3.29Å; Q67-R71 PolarHBondContact O-N 3.06Å
68D96.6Very high97.4Very high108 Ų10848.6 Ų48.658%0.57823%0.227SC*.G310 helixtrans-43.2-51-175.4178.544.9000113.5I70 R71 P72D68-I70 PolarHBondContact O-N 2.78Å; D68-R71 PolarHBondContact O-N 2.86Å; D68-P72 WeakPolarHBondContact O-CD 3.38Å
69K95.8Very high97.5Very high195 Ų19549.7 Ų49.785%0.84824%0.239SC*.G310 helixtrans-59.3-21.3-178.5-64.8-174.9180179.90115.4Q67Q67-K69 VanDerWaalsContact C-N 3.28Å; Q67-K69 PolarHBondContact O-N 3.17Å; Q67-K69 VanDerWaalsContact O-N 3.11Å
70I94.6Very high97.4Very high35 Ų3552.1 Ų52.118%0.17927%0.265CS..G310 helixtrans-109.5-11.5-176.966.2159.9000113.9G65 Q67 D68 P72 L73G65-I70 VanDerWaalsContact CA-CD1 3.42Å; G65-I70 VanDerWaalsContact O-CD1 3.24Å; G65-I70 WeakPolarHBondContact O-CD1 3.47Å; Q67-I70 HydrophobicContact CB-CG1 4.31Å; Q67-I70 WeakPolarHBondContact O-CG1 3.38Å; Q67-I70 PolarHBondContact O-N 3.48Å; D68-I70 PolarHBondContact O-N 2.78Å; I70-P72 VanDerWaalsContact C-N 3.27Å; I70-L73 HydrophobicContact CB-CD1 4.4Å; I70-L73 VanDerWaalsContact O-CB 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.18Å; I70-L73 PolarHBondContact O-N 3.03Å
71R97.7Very high97.3Very high8 Ų850.8 Ų50.83%0.0326%0.258CS..G310 helixtrans-57.3-32.5177.2-53.8-170.5-164.1139.11.8114L21 D22 G66 Q67 D68 L73 W74 E98L21-R71 VanDerWaalsContact CD2-CZ 3.43Å; D22-R71 IonicContact OD1-NH2 2.77Å; D22-R71 PolarHBondContact OD1-NH2 3.32Å; G66-R71 PolarHBondContact O-NE 2.88Å; G66-R71 PolarHBondContact O-NH2 3.37Å; Q67-R71 WeakPolarHBondContact O-CG 3.29Å; Q67-R71 PolarHBondContact O-N 3.06Å; D68-R71 PolarHBondContact O-N 2.86Å; R71-L73 PolarHBondContact O-N 2.87Å; R71-L73 VanDerWaalsContact O-N 3.08Å; R71-W74 HydrophobicContact CB-CD2 4.05Å; R71-W74 HydrophobicContact CB-CE3 4.24Å; R71-W74 HydrophobicContact CB-CH2 4.33Å; R71-W74 HydrophobicContact CB-CZ2 4.14Å; R71-W74 HydrophobicContact CB-CZ3 4.36Å; R71-W74 HydrophobicContact CG-CD2 4.44Å; R71-W74 HydrophobicContact CG-CH2 3.95Å; R71-W74 HydrophobicContact CG-CZ2 3.63Å; R71-W74 HydrophobicContact CG-CZ3 4.45Å; R71-W74 VanDerWaalsContact O-CB 3.29Å; R71-W74 WeakPolarHBondContact O-CB 3.43Å; R71-W74 VanDerWaalsContact O-CG 3.24Å; R71-W74 PolarHBondContact O-N 3.27Å; R71-E98 IonicContact CZ-OE1 3.14Å; R71-E98 IonicContact NH1-OE1 2.61Å; R71-E98 PolarHBondContact NH1-OE1 2.83Å; R71-E98 IonicContact NH2-OE1 2.8Å; R71-E98 PolarHBondContact NH2-OE1 2.79Å
72P96.1Very high97.3Very high65 Ų6553.2 Ų53.242%0.42227%0.269SS..G310 helixtrans-56.2-25171.3-28.937.4000114.2D68 I70 W74 R75D68-P72 WeakPolarHBondContact O-CD 3.38Å; I70-P72 VanDerWaalsContact C-N 3.27Å; P72-W74 VanDerWaalsContact C-N 3.34Å; P72-R75 PolarHBondContact O-NE 3.04Å; P72-R75 VanDerWaalsContact O-NE 3.08Å; P72-R75 PolarHBondContact O-NH2 3.14Å; P72-R75 VanDerWaalsContact O-NH2 3.11Å
73L96.1Very high97.3Very high78 Ų7850.1 Ų50.141%0.40826%0.258SS..G310 helixtrans-80-13.1179.2-55177.9000113.2I70 R71 R75 H76I70-L73 HydrophobicContact CB-CD1 4.4Å; I70-L73 VanDerWaalsContact O-CB 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.18Å; I70-L73 PolarHBondContact O-N 3.03Å; R71-L73 PolarHBondContact O-N 2.87Å; R71-L73 VanDerWaalsContact O-N 3.08Å; L73-R75 PolarHBondContact O-N 2.84Å; L73-R75 VanDerWaalsContact O-N 3.11Å; L73-H76 WeakPolarHBondContact O-CB 3.36Å; L73-H76 PolarHBondContact O-CD2 3.16Å; L73-H76 PolarHBondContact O-N 2.81Å
74W98.4Very high97.3Very high1 Ų150.1 Ų50.10%0.00426%0.258CS..G310 helixtrans-53.7-35.5-179.8-70.6-7000113L19 G20 G65 R71 P72 H76 Y77 Y78 E102 I106L19-W74 HydrophobicContact CD1-CB 4.24Å; L19-W74 HydrophobicContact CD1-CD2 4.14Å; L19-W74 HydrophobicContact CD1-CE3 4.07Å; L19-W74 HydrophobicContact CD1-CG 4.28Å; L19-W74 HydrophobicContact CD2-CB 4.31Å; L19-W74 HydrophobicContact CD2-CD2 3.91Å; L19-W74 HydrophobicContact CD2-CG 3.79Å; L19-W74 HydrophobicContact CG-CD2 4.42Å; G20-W74 WeakPolarHBondContact O-CZ2 3.24Å; G65-W74 PolarHBondContact O-NE1 2.84Å; R71-W74 HydrophobicContact CB-CD2 4.05Å; R71-W74 HydrophobicContact CB-CE3 4.24Å; R71-W74 HydrophobicContact CB-CH2 4.33Å; R71-W74 HydrophobicContact CB-CZ2 4.14Å; R71-W74 HydrophobicContact CB-CZ3 4.36Å; R71-W74 HydrophobicContact CG-CD2 4.44Å; R71-W74 HydrophobicContact CG-CH2 3.95Å; R71-W74 HydrophobicContact CG-CZ2 3.63Å; R71-W74 HydrophobicContact CG-CZ3 4.45Å; R71-W74 VanDerWaalsContact O-CB 3.29Å; R71-W74 WeakPolarHBondContact O-CB 3.43Å; R71-W74 VanDerWaalsContact O-CG 3.24Å; R71-W74 PolarHBondContact O-N 3.27Å; P72-W74 VanDerWaalsContact C-N 3.34Å; W74-H76 PolarHBondContact O-N 3.48Å; W74-H76 VanDerWaalsContact O-N 3.12Å; W74-Y77 WeakPolarHBondContact O-CD2 3.48Å; W74-Y77 PolarHBondContact O-N 3Å; W74-Y78 VanDerWaalsContact C-CE1 3.5Å; W74-Y78 HydrophobicContact CB-CE1 4.04Å; W74-Y78 VanDerWaalsContact O-CD1 3.29Å; W74-Y78 WeakPolarHBondContact O-CD1 3.49Å; W74-Y78 VanDerWaalsContact O-CE1 3.24Å; W74-Y78 WeakPolarHBondContact O-CE1 3.4Å; W74-E102 HydrophobicContact CH2-CB 4.32Å; W74-E102 HydrophobicContact CH2-CG 4.33Å; W74-E102 HydrophobicContact CZ3-CB 3.92Å; W74-E102 HydrophobicContact CZ3-CG 4.16Å; W74-E102 WeakPolarHBondContact CZ3-OE2 3.31Å; W74-I106 HydrophobicContact CE3-CD1 3.75Å; W74-I106 HydrophobicContact CE3-CG1 3.97Å; W74-I106 HydrophobicContact CZ3-CD1 3.62Å; W74-I106 HydrophobicContact CZ3-CG1 4.24Å
75R98.1Very high97.3Very high129 Ų12950.1 Ų50.149%0.48726%0.257SS..G310 helixtrans-58.9-25.2179.476.6-178.599.198.1-4.8114P72 L73 Y77 Y78P72-R75 PolarHBondContact O-NE 3.04Å; P72-R75 VanDerWaalsContact O-NE 3.08Å; P72-R75 PolarHBondContact O-NH2 3.14Å; P72-R75 VanDerWaalsContact O-NH2 3.11Å; L73-R75 PolarHBondContact O-N 2.84Å; L73-R75 VanDerWaalsContact O-N 3.11Å; R75-Y77 PolarHBondContact O-N 3.19Å; R75-Y78 HydrophobicContact CB-CD2 3.96Å; R75-Y78 HydrophobicContact CB-CE2 3.69Å; R75-Y78 PolarHBondContact O-N 2.95Å
76H97.3Very high97.4Very high119 Ų11950 Ų5055%0.55126%0.257SS*.G310 helixtrans-69.2-9.8177.4-61-45.7000113.3L73 W74L73-H76 WeakPolarHBondContact O-CB 3.36Å; L73-H76 PolarHBondContact O-CD2 3.16Å; L73-H76 PolarHBondContact O-N 2.81Å; W74-H76 PolarHBondContact O-N 3.48Å; W74-H76 VanDerWaalsContact O-N 3.12Å
77Y97.8Very high97.5Very high34 Ų3450 Ų5013%0.13326%0.257CS..G310 helixtrans-110.80.9179.7-49.8-74.9000113.3R15 L17 F47 W62 V64 W74 R75 T81R15-Y77 PolarHBondContact NH1-O 2.86Å; R15-Y77 PolarHBondContact NH2-O 3.39Å; L17-Y77 HydrophobicContact CD1-CG 4.43Å; F47-Y77 HydrophobicContact CB-CE1 4.23Å; F47-Y77 AromaticContact CD1-CE1 3.73Å; F47-Y77 HydrophobicContact CD1-CE1 3.73Å; F47-Y77 AromaticContact CD1-CZ 3.72Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.3Å; F47-Y77 HydrophobicContact CD2-CE1 4.31Å; F47-Y77 HydrophobicContact CE1-CE1 4.12Å; F47-Y77 AromaticContact CG-CE1 3.82Å; F47-Y77 HydrophobicContact CG-CE1 3.82Å; F47-Y77 AromaticContact CG-CZ 3.99Å; W62-Y77 AromaticContact CE3-CD1 3.66Å; W62-Y77 HydrophobicContact CE3-CD1 3.66Å; W62-Y77 HydrophobicContact CE3-CE1 4.11Å; W62-Y77 AromaticContact CZ3-CD1 3.87Å; W62-Y77 HydrophobicContact CZ3-CD1 3.87Å; W62-Y77 HydrophobicContact CZ3-CE1 4.07Å; V64-Y77 HydrophobicContact CG1-CD2 4.05Å; V64-Y77 HydrophobicContact CG1-CE2 3.73Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.1Å; V64-Y77 HydrophobicContact CG2-CG 4.16Å; W74-Y77 WeakPolarHBondContact O-CD2 3.48Å; W74-Y77 PolarHBondContact O-N 3Å; R75-Y77 PolarHBondContact O-N 3.19Å; Y77-T81 PolarHBondContact O-OG1 3.2Å
78Y98.6Very high97.6Very high11 Ų1147.7 Ų47.74%0.04325%0.246CC..  trans-69.6-43.4-175.6-66.4-8.4000112.6L17 L19 W74 R75 G80 T81 I106 D109 M112L17-Y78 HydrophobicContact CD2-CD1 3.57Å; L17-Y78 HydrophobicContact CD2-CE1 4.01Å; L19-Y78 HydrophobicContact CD1-CE1 4.02Å; W74-Y78 VanDerWaalsContact C-CE1 3.5Å; W74-Y78 HydrophobicContact CB-CE1 4.04Å; W74-Y78 VanDerWaalsContact O-CD1 3.29Å; W74-Y78 WeakPolarHBondContact O-CD1 3.49Å; W74-Y78 VanDerWaalsContact O-CE1 3.24Å; W74-Y78 WeakPolarHBondContact O-CE1 3.4Å; R75-Y78 HydrophobicContact CB-CD2 3.96Å; R75-Y78 HydrophobicContact CB-CE2 3.69Å; R75-Y78 PolarHBondContact O-N 2.95Å; Y78-G80 PolarHBondContact O-N 2.97Å; Y78-G80 VanDerWaalsContact O-N 3.17Å; Y78-T81 VanDerWaalsContact O-CB 3.25Å; Y78-T81 WeakPolarHBondContact O-CB 3.31Å; Y78-T81 PolarHBondContact O-N 2.82Å; Y78-T81 PolarHBondContact O-OG1 2.92Å; Y78-I106 HydrophobicContact CE1-CG1 4.49Å; Y78-I106 HydrophobicContact CE1-CG2 4.08Å; Y78-I106 WeakPolarHBondContact OH-CG1 2.95Å; Y78-D109 HydrophobicContact CD2-CB 3.74Å; Y78-D109 VanDerWaalsContact CD2-CG 3.47Å; Y78-D109 HydrophobicContact CE2-CB 3.65Å; Y78-M112 HydrophobicContact CD1-CG 3.98Å; Y78-M112 HydrophobicContact CD1-SD 3.84Å; Y78-M112 HydrophobicContact CD2-CG 3.84Å; Y78-M112 HydrophobicContact CE1-CG 4.46Å; Y78-M112 HydrophobicContact CE2-CG 4.32Å; Y78-M112 HydrophobicContact CG-CG 3.65Å; Y78-M112 HydrophobicContact CG-SD 3.86Å
79T97.7Very high97.7Very high92 Ų9243.6 Ų43.656%0.56422%0.224SC*.THydrogen-bonded Turntrans-50.6121.8-176.3-47.70000111.9R15 T81 E111R15-T79 VanDerWaalsContact CZ-O 3.29Å; R15-T79 PolarHBondContact NH1-O 2.86Å; T79-T81 VanDerWaalsContact C-N 3.33Å; T79-T81 PolarHBondContact O-N 2.63Å; T79-E111 WeakPolarHBondContact CA-OE2 3.49Å; T79-E111 PolarHBondContact N-OE2 3.49Å; T79-E111 VanDerWaalsContact OG1-CD 3.25Å; T79-E111 PolarHBondContact OG1-OE1 3.24Å; T79-E111 PolarHBondContact OG1-OE2 3.36Å
80G95.9Very high97.8Very high53 Ų5334.3 Ų34.355%0.54618%0.183SC..THydrogen-bonded Turntrans78.67.9178.400000115.2R15 Y78 Q82R15-G80 WeakPolarHBondContact CD-O 3.36Å; Y78-G80 PolarHBondContact O-N 2.97Å; Y78-G80 VanDerWaalsContact O-N 3.17Å; G80-Q82 PolarHBondContact O-N 3.35Å
81T98Very high98Very high11 Ų1134.4 Ų34.47%0.06719%0.19CC..  trans-65.5123.1174-570000109.9R15 L17 Y77 Y78 T79 G83 M112 A115R15-T81 VanDerWaalsContact NH1-CA 3.28Å; R15-T81 PolarHBondContact NH1-OG1 3Å; L17-T81 HydrophobicContact CB-CG2 3.58Å; Y77-T81 PolarHBondContact O-OG1 3.2Å; Y78-T81 VanDerWaalsContact O-CB 3.25Å; Y78-T81 WeakPolarHBondContact O-CB 3.31Å; Y78-T81 PolarHBondContact O-N 2.82Å; Y78-T81 PolarHBondContact O-OG1 2.92Å; T79-T81 VanDerWaalsContact C-N 3.33Å; T79-T81 PolarHBondContact O-N 2.63Å; T81-G83 WeakPolarHBondContact CG2-O 3.08Å; T81-M112 HydrophobicContact CG2-CE 3.93Å; T81-M112 HydrophobicContact CG2-SD 4.1Å; T81-A115 HydrophobicContact CG2-CB 4.32Å
82Q97.3Very high98Very high56 Ų5635.6 Ų35.626%0.26220%0.196SC..SBendtrans-93.5-29.5176.2-67.6169.7-74.900111.7M14 R15 G80 A115 I116 Y173M14-Q82 HydrophobicContact CE-CB 4.24Å; M14-Q82 HydrophobicContact CG-CB 4.03Å; R15-Q82 PolarHBondContact O-N 2.91Å; G80-Q82 PolarHBondContact O-N 3.35Å; Q82-A115 WeakPolarHBondContact O-CA 3.47Å; Q82-I116 PolarHBondContact O-N 2.91Å; Q82-Y173 HydrophobicContact CB-CE2 3.88Å; Q82-Y173 HydrophobicContact CG-CE2 4.49Å; Q82-Y173 WeakPolarHBondContact CG-OH 3.47Å; Q82-Y173 PolarHBondContact NE2-OH 2.8Å
83G98.2Very high98.1Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-142.9138.3173.300000112.6R15 I16 L17 T81 I116R15-G83 PolarHBondContact O-N 3.34Å; I16-G83 VanDerWaalsContact CA-O 3.32Å; I16-G83 WeakPolarHBondContact CA-O 3.35Å; L17-G83 PolarHBondContact N-O 2.93Å; T81-G83 WeakPolarHBondContact CG2-O 3.08Å; G83-I116 CarbonylContact C-O 3.54Å; G83-I116 VanDerWaalsContact CA-O 3.26Å; G83-I116 WeakPolarHBondContact CA-O 3.42Å
84L98.8Very high98.2Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-92.8125.5168.5175.562.3000108.6L17 L19 F86 L103 I106 I107 M112 I116 I117 L118L17-L84 WeakPolarHBondContact O-CA 3.47Å; L19-L84 HydrophobicContact CB-CD1 4.17Å; L19-L84 HydrophobicContact CD1-CD1 4.02Å; L19-L84 HydrophobicContact CG-CD1 4.1Å; L84-F86 HydrophobicContact CD2-CB 4.46Å; L84-F86 HydrophobicContact CG-CB 4.35Å; L84-L103 HydrophobicContact CD2-CD1 4.08Å; L84-I106 HydrophobicContact CD1-CG2 4.36Å; L84-I106 HydrophobicContact CD2-CG2 3.85Å; L84-I107 HydrophobicContact CD2-CG2 3.97Å; L84-M112 HydrophobicContact CB-CE 3.83Å; L84-M112 HydrophobicContact CD1-CE 4.21Å; L84-M112 HydrophobicContact CD2-CE 4.28Å; L84-M112 HydrophobicContact CG-CE 4.33Å; L84-I116 PolarHBondContact N-O 3.29Å; L84-I117 HydrophobicContact CD2-CG1 4.48Å; L84-I117 HydrophobicContact CD2-CG2 4.37Å; L84-L118 PolarHBondContact O-N 3.42Å
85I98.9Very high98.3Very high2 Ų244 Ų441%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-100.4114.4158.8-64.1-179.2000107.3I16 L17 M18 L19 V87 L118 F120 L169I16-I85 HydrophobicContact CG2-CB 4.22Å; I16-I85 HydrophobicContact CG2-CD1 3.66Å; I16-I85 HydrophobicContact CG2-CG1 3.65Å; L17-I85 PolarHBondContact O-N 3.33Å; M18-I85 CarbonylContact C-O 3.48Å; M18-I85 VanDerWaalsContact CA-O 3.27Å; M18-I85 WeakPolarHBondContact CA-O 3.4Å; M18-I85 HydrophobicContact CB-CB 4.4Å; M18-I85 HydrophobicContact CE-CB 4.35Å; M18-I85 HydrophobicContact CE-CD1 4.02Å; M18-I85 HydrophobicContact CE-CG2 4.05Å; M18-I85 HydrophobicContact CG-CB 4.2Å; M18-I85 HydrophobicContact CG-CG2 4.07Å; L19-I85 PolarHBondContact N-O 2.87Å; I85-V87 HydrophobicContact CG2-CG2 4Å; I85-L118 CarbonylContact C-O 3.51Å; I85-L118 VanDerWaalsContact CA-O 3.32Å; I85-L118 WeakPolarHBondContact CA-O 3.45Å; I85-L118 HydrophobicContact CD1-CD2 4.35Å; I85-L118 HydrophobicContact CG1-CB 4.31Å; I85-L118 HydrophobicContact CG1-CD2 4.23Å; I85-F120 HydrophobicContact CD1-CE2 4.18Å; I85-F120 HydrophobicContact CG2-CD2 3.41Å; I85-F120 VanDerWaalsContact CG2-CD2 3.41Å; I85-F120 HydrophobicContact CG2-CE2 3.8Å; I85-F120 HydrophobicContact CG2-CG 4.47Å; I85-L169 HydrophobicContact CD1-CD1 3.92Å; I85-L169 HydrophobicContact CG1-CD1 4.03Å
86F98.9Very high98.3Very high0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-105.7118.9174.2-164.3-98000109.6L19 L84 V88 A99 E102 L103 I106 L118 I119 F120L19-F86 HydrophobicContact CB-CD2 4.15Å; L19-F86 HydrophobicContact CB-CE2 4.48Å; L19-F86 CarbonylContact O-C 3.54Å; L19-F86 WeakPolarHBondContact O-CA 3.18Å; L84-F86 HydrophobicContact CD2-CB 4.46Å; L84-F86 HydrophobicContact CG-CB 4.35Å; F86-V88 HydrophobicContact CD1-CG2 3.81Å; F86-V88 HydrophobicContact CE1-CG2 3.95Å; F86-A99 HydrophobicContact CE1-CB 4.3Å; F86-A99 WeakPolarHBondContact CZ-O 3.36Å; F86-E102 HydrophobicContact CZ-CB 4.28Å; F86-L103 HydrophobicContact CB-CD1 4.14Å; F86-L103 HydrophobicContact CD1-CB 4.35Å; F86-L103 HydrophobicContact CD1-CD1 4.21Å; F86-L103 HydrophobicContact CD2-CD1 4.09Å; F86-L103 HydrophobicContact CE1-CB 4Å; F86-L103 HydrophobicContact CE2-CB 4.23Å; F86-L103 HydrophobicContact CG-CD1 3.89Å; F86-L103 HydrophobicContact CZ-CB 3.93Å; F86-I106 HydrophobicContact CD2-CD1 3.89Å; F86-I106 HydrophobicContact CE2-CD1 3.63Å; F86-L118 PolarHBondContact N-O 3.08Å; F86-I119 HydrophobicContact CB-CD1 3.69Å; F86-I119 HydrophobicContact CD1-CD1 4.37Å; F86-I119 HydrophobicContact CG-CD1 4.43Å; F86-I119 CarbonylContact O-C 3.6Å; F86-I119 VanDerWaalsContact O-CA 3.3Å; F86-I119 WeakPolarHBondContact O-CA 3.5Å; F86-F120 PolarHBondContact O-N 2.93Å
87V99Very high98.3Very high1 Ų136.2 Ų36.21%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-100.6128.7-175.3-1720000109.7M18 L19 A24 K26 I29 I85 F120 N122M18-V87 HydrophobicContact CG-CG2 3.98Å; M18-V87 HydrophobicContact SD-CG2 4.14Å; L19-V87 PolarHBondContact O-N 3.49Å; A24-V87 HydrophobicContact CB-CB 4.32Å; A24-V87 HydrophobicContact CB-CG1 4.08Å; A24-V87 WeakPolarHBondContact CB-O 3.36Å; A24-V87 WeakPolarHBondContact O-CG1 3.3Å; K26-V87 HydrophobicContact CB-CG2 4.48Å; K26-V87 HydrophobicContact CG-CB 3.78Å; K26-V87 HydrophobicContact CG-CG1 4.46Å; K26-V87 HydrophobicContact CG-CG2 3.74Å; I29-V87 HydrophobicContact CD1-CB 4.5Å; I29-V87 HydrophobicContact CD1-CG1 3.67Å; I29-V87 HydrophobicContact CD1-CG2 3.94Å; I85-V87 HydrophobicContact CG2-CG2 4Å; V87-F120 HydrophobicContact CG1-CB 4.42Å; V87-F120 HydrophobicContact CG2-CB 4.4Å; V87-N122 HydrophobicContact CG1-CB 3.84Å
88V98.9Very high98.4Very high4 Ų437.2 Ų37.22%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-118.7128.3-179.2-176.60000109.3F86 C90 I96 I119 F120 N122 I135 L139F86-V88 HydrophobicContact CD1-CG2 3.81Å; F86-V88 HydrophobicContact CE1-CG2 3.95Å; V88-C90 PolarHBondContact O-N 3.48Å; V88-I96 HydrophobicContact CG1-CD1 3.87Å; V88-I119 HydrophobicContact CG2-CG2 3.95Å; V88-F120 PolarHBondContact N-O 3.44Å; V88-N122 WeakPolarHBondContact O-CA 3.29Å; V88-N122 WeakPolarHBondContact O-CB 3.32Å; V88-N122 PolarHBondContact O-N 3.36Å; V88-I135 HydrophobicContact CG1-CD1 3.99Å; V88-L139 HydrophobicContact CG2-CD1 4.06Å
89D98.8Very high98.4Very high21 Ų2136.9 Ų36.911%0.11220%0.204CC..EExtended strand (participates in β ladder)trans-72.2110.7164.5-171.9-18.8000108.9A91 D92 K123D89-A91 VanDerWaalsContact C-N 3.28Å; D89-A91 PolarHBondContact O-N 3.05Å; D89-A91 WeakPolarHBondContact OD1-CB 3.35Å; D89-A91 PolarHBondContact OD1-N 3.33Å; D89-D92 HydrophobicContact CB-CB 3.78Å; D89-D92 PolarHBondContact O-N 2.97Å; D89-D92 PolarHBondContact OD1-N 3.17Å; D89-K123 WeakPolarHBondContact OD1-CD 3.44Å; D89-K123 VanDerWaalsContact OD2-CE 3.27Å; D89-K123 WeakPolarHBondContact OD2-CE 3.29Å; D89-K123 IonicContact OD2-NZ 3.81Å; D89-K123 PolarHBondContact OD2-NZ 2.89Å
90C98.9Very high98.5Very high0 Ų036.4 Ų36.40%019%0.191CC..SBendtrans-77-15.7-177.9-64.10000113.2V88 A121 N122 Q124 A129 M130V88-C90 PolarHBondContact O-N 3.48Å; C90-A121 WeakPolarHBondContact SG-CA 3.31Å; C90-A121 VanDerWaalsContact SG-CB 3.57Å; C90-N122 VanDerWaalsContact CB-O 3.23Å; C90-N122 WeakPolarHBondContact CB-O 3.29Å; C90-N122 PolarHBondContact N-O 3.09Å; C90-N122 PolarHBondContact SG-O 3.46Å; C90-Q124 PolarHBondContact SG-NE2 3.5Å; C90-A129 HydrophobicContact CB-CB 4Å; C90-A129 CarbonylContact O-C 3.57Å; C90-A129 WeakPolarHBondContact O-CA 3.34Å; C90-M130 HydrophobicContact CB-CB 4.26Å; C90-M130 WeakPolarHBondContact CB-O 3.29Å; C90-M130 WeakPolarHBondContact O-CE 3.43Å; C90-M130 PolarHBondContact O-N 2.94Å
91A98.5Very high98.6Very high38 Ų3839.2 Ų39.231%0.31419%0.19SC..SBendtrans-83.7-18.417400000112.2D89 R93 L126D89-A91 VanDerWaalsContact C-N 3.28Å; D89-A91 PolarHBondContact O-N 3.05Å; D89-A91 WeakPolarHBondContact OD1-CB 3.35Å; D89-A91 PolarHBondContact OD1-N 3.33Å; A91-R93 PolarHBondContact O-N 2.99Å; A91-R93 VanDerWaalsContact O-N 3.11Å; A91-L126 HydrophobicContact CB-CB 3.95Å; A91-L126 HydrophobicContact CB-CD1 3.74Å
92D98.4Very high98.6Very high32 Ų3239.2 Ų39.217%0.17119%0.189CC..  trans-87.376.2-179.6-165.3-21.3000111.6D89 D94 R95D89-D92 HydrophobicContact CB-CB 3.78Å; D89-D92 PolarHBondContact O-N 2.97Å; D89-D92 PolarHBondContact OD1-N 3.17Å; D92-D94 VanDerWaalsContact C-N 3.26Å; D92-D94 PolarHBondContact O-N 3Å; D92-R95 WeakPolarHBondContact OD1-CB 3.27Å; D92-R95 PolarHBondContact OD1-N 2.8Å; D92-R95 VanDerWaalsContact OD1-N 3.08Å; D92-R95 IonicContact OD1-NE 3.01Å; D92-R95 IonicContact OD2-CZ 3.13Å; D92-R95 IonicContact OD2-NE 2.63Å; D92-R95 PolarHBondContact OD2-NE 2.79Å; D92-R95 IonicContact OD2-NH2 2.73Å; D92-R95 PolarHBondContact OD2-NH2 3.12Å
93R98.3Very high98.7Very high105 Ų10536.5 Ų36.540%0.39618%0.177SC..  trans-67.5-27.8178.2-69.7175.8170.2-80.4-6.8112.5A91 I96 D128 M130 E134A91-R93 PolarHBondContact O-N 2.99Å; A91-R93 VanDerWaalsContact O-N 3.11Å; R93-I96 VanDerWaalsContact O-CG2 3.27Å; R93-I96 WeakPolarHBondContact O-CG2 3.47Å; R93-D128 PolarHBondContact NE-O 2.78Å; R93-D128 PolarHBondContact NH2-O 2.64Å; R93-M130 HydrophobicContact CG-CE 4.06Å; R93-M130 HydrophobicContact CG-CG 4.02Å; R93-M130 HydrophobicContact CG-SD 4.07Å; R93-M130 VanDerWaalsContact CZ-CG 3.45Å; R93-E134 IonicContact CZ-OE1 2.68Å; R93-E134 IonicContact CZ-OE2 3.59Å; R93-E134 IonicContact NH1-OE1 2.75Å; R93-E134 PolarHBondContact NH1-OE1 3.27Å; R93-E134 IonicContact NH1-OE2 3.59Å; R93-E134 IonicContact NH2-OE1 2.81Å; R93-E134 IonicContact NH2-OE2 3.56Å; R93-E134 PolarHBondContact NH2-OE2 3.19Å
94D98.5Very high98.7Very high155 Ų15538.2 Ų38.283%0.82919%0.185SC*.THydrogen-bonded Turntrans-70.2-34.2-176.3-66.6-22.9000112.1D92D92-D94 VanDerWaalsContact C-N 3.26Å; D92-D94 PolarHBondContact O-N 3Å
95R98.6Very high98.7Very high61 Ų6144.6 Ų44.623%0.2321%0.209CC..THydrogen-bonded Turntrans-101.711.7-178.3-60.3-168.8-65.3164.94.2114.5L21 D22 D92 D97 E98 A99L21-R95 HydrophobicContact CD1-CB 3.73Å; D22-R95 VanDerWaalsContact CG-NH1 3.34Å; D22-R95 PolarHBondContact O-NH2 3.3Å; D22-R95 IonicContact OD1-NH1 2.99Å; D22-R95 PolarHBondContact OD1-NH1 2.91Å; D22-R95 IonicContact OD2-CZ 3.23Å; D22-R95 IonicContact OD2-NH1 3.73Å; D22-R95 PolarHBondContact OD2-NH1 3.22Å; D22-R95 IonicContact OD2-NH2 3.26Å; D92-R95 WeakPolarHBondContact OD1-CB 3.27Å; D92-R95 PolarHBondContact OD1-N 2.8Å; D92-R95 VanDerWaalsContact OD1-N 3.08Å; D92-R95 IonicContact OD1-NE 3.01Å; D92-R95 IonicContact OD2-CZ 3.13Å; D92-R95 IonicContact OD2-NE 2.63Å; D92-R95 PolarHBondContact OD2-NE 2.79Å; D92-R95 IonicContact OD2-NH2 2.73Å; D92-R95 PolarHBondContact OD2-NH2 3.12Å; R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 3.22Å; R95-E98 HydrophobicContact CB-CB 4.41Å; R95-E98 WeakPolarHBondContact CD-OE2 3.07Å; R95-E98 WeakPolarHBondContact CG-OE2 3.37Å; R95-E98 WeakPolarHBondContact O-CB 3.29Å; R95-E98 PolarHBondContact O-N 3.37Å; R95-A99 PolarHBondContact O-N 3.44Å
96I98.7Very high98.7Very high9 Ų944.5 Ų44.55%0.04621%0.208CC..Hα-helixtrans-64.1-36-179.1-167.957.6000112.9V88 R93 E98 A99 R100 M130 I135 K138 L139V88-I96 HydrophobicContact CG1-CD1 3.87Å; R93-I96 VanDerWaalsContact O-CG2 3.27Å; R93-I96 WeakPolarHBondContact O-CG2 3.47Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-A99 PolarHBondContact O-N 3Å; I96-R100 PolarHBondContact O-N 2.91Å; I96-M130 HydrophobicContact CB-CE 4.11Å; I96-M130 HydrophobicContact CB-SD 4.37Å; I96-M130 HydrophobicContact CD1-CE 3.99Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.09Å; I96-M130 HydrophobicContact CG1-SD 4.08Å; I96-I135 HydrophobicContact CD1-CD1 4.09Å; I96-K138 HydrophobicContact CD1-CB 4.35Å; I96-K138 HydrophobicContact CG1-CB 3.6Å; I96-K138 HydrophobicContact CG1-CG 4.18Å; I96-K138 HydrophobicContact CG2-CD 4.39Å; I96-L139 HydrophobicContact CD1-CD2 3.91Å; I96-L139 HydrophobicContact CD1-CG 4.45Å
97D98.8Very high98.6Very high75 Ų7544.7 Ų44.740%0.40121%0.209SC..Hα-helixtrans-70.2-31.6176.8-80.8-35.4000112.1R95 R100 Q101R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 3.22Å; D97-R100 IonicContact OD1-CZ 3.78Å; D97-R100 IonicContact OD1-NH1 3.79Å; D97-R100 PolarHBondContact OD1-NH1 3.1Å; D97-R100 IonicContact OD1-NH2 2.69Å; D97-R100 PolarHBondContact OD1-NH2 2.9Å; D97-Q101 VanDerWaalsContact O-CG 3.29Å; D97-Q101 WeakPolarHBondContact O-CG 3.27Å; D97-Q101 PolarHBondContact O-N 2.94Å; D97-Q101 PolarHBondContact O-NE2 3.09Å
98E98.8Very high98.5Very high56 Ų5650.4 Ų50.426%0.26224%0.24SC..Hα-helixtrans-67.3-47.2171.8-175.5-175.9172.900110.1L21 R71 R95 I96 R100 Q101 E102L21-E98 HydrophobicContact CD1-CB 4.26Å; L21-E98 HydrophobicContact CD1-CG 4.2Å; L21-E98 HydrophobicContact CD2-CG 4.16Å; R71-E98 IonicContact CZ-OE1 3.14Å; R71-E98 IonicContact NH1-OE1 2.61Å; R71-E98 PolarHBondContact NH1-OE1 2.83Å; R71-E98 IonicContact NH2-OE1 2.8Å; R71-E98 PolarHBondContact NH2-OE1 2.79Å; R95-E98 HydrophobicContact CB-CB 4.41Å; R95-E98 WeakPolarHBondContact CD-OE2 3.07Å; R95-E98 WeakPolarHBondContact CG-OE2 3.37Å; R95-E98 WeakPolarHBondContact O-CB 3.29Å; R95-E98 PolarHBondContact O-N 3.37Å; I96-E98 VanDerWaalsContact C-N 3.33Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.46Å; E98-Q101 PolarHBondContact O-N 2.85Å; E98-Q101 VanDerWaalsContact O-N 3.09Å; E98-E102 WeakPolarHBondContact O-CG 3.47Å; E98-E102 PolarHBondContact O-N 3.18Å
99A98.9Very high98.5Very high4 Ų452.5 Ų52.53%0.03325%0.251CS..Hα-helixtrans-58.2-40.2174.400000112.1L21 F86 R95 I96 L103 L139L21-A99 HydrophobicContact CD1-CB 3.93Å; L21-A99 HydrophobicContact CG-CB 4.07Å; F86-A99 HydrophobicContact CE1-CB 4.3Å; F86-A99 WeakPolarHBondContact CZ-O 3.36Å; R95-A99 PolarHBondContact O-N 3.44Å; I96-A99 PolarHBondContact O-N 3Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 PolarHBondContact O-N 3.33Å; A99-L139 HydrophobicContact CB-CD2 4.35Å
100R98.9Very high98.4Very high81 Ų8161.7 Ų61.731%0.30628%0.284SS..Hα-helixtrans-59.3-51.4172.3179-175.263.1-135-3.6111I96 D97 E98 E102 L103 H104 K138 L139I96-R100 PolarHBondContact O-N 2.91Å; D97-R100 IonicContact OD1-CZ 3.78Å; D97-R100 IonicContact OD1-NH1 3.79Å; D97-R100 PolarHBondContact OD1-NH1 3.1Å; D97-R100 IonicContact OD1-NH2 2.69Å; D97-R100 PolarHBondContact OD1-NH2 2.9Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.46Å; R100-E102 VanDerWaalsContact C-N 3.29Å; R100-E102 PolarHBondContact O-N 3.47Å; R100-L103 PolarHBondContact O-N 3.32Å; R100-H104 PolarHBondContact O-CD2 2.86Å; R100-H104 VanDerWaalsContact O-CD2 3.24Å; R100-H104 PolarHBondContact O-N 3.21Å; R100-K138 VanDerWaalsContact CD-O 3.31Å; R100-K138 WeakPolarHBondContact CD-O 3.45Å; R100-K138 PolarHBondContact NH1-O 2.63Å; R100-L139 HydrophobicContact CB-CD2 4.19Å
101Q98.7Very high98.4Very high112 Ų11265.1 Ų65.152%0.52330%0.3SS..Hα-helixtrans-58.9-43.6-178.1-73.4170.956.700111.6D97 E98 R105D97-Q101 VanDerWaalsContact O-CG 3.29Å; D97-Q101 WeakPolarHBondContact O-CG 3.27Å; D97-Q101 PolarHBondContact O-N 2.94Å; D97-Q101 PolarHBondContact O-NE2 3.09Å; E98-Q101 PolarHBondContact O-N 2.85Å; E98-Q101 VanDerWaalsContact O-N 3.09Å; Q101-R105 WeakPolarHBondContact O-CB 3.42Å; Q101-R105 PolarHBondContact O-N 3Å
102E98.8Very high98.3Very high11 Ų1163.4 Ų63.45%0.05129%0.286CS..Hα-helixtrans-61.6-48.9175.3-72.4-44.2127.800112.3L21 W74 F86 E98 R100 H104 R105 I106L21-E102 HydrophobicContact CD2-CB 4.41Å; L21-E102 HydrophobicContact CD2-CG 3.79Å; W74-E102 HydrophobicContact CH2-CB 4.32Å; W74-E102 HydrophobicContact CH2-CG 4.33Å; W74-E102 HydrophobicContact CZ3-CB 3.92Å; W74-E102 HydrophobicContact CZ3-CG 4.16Å; W74-E102 WeakPolarHBondContact CZ3-OE2 3.31Å; F86-E102 HydrophobicContact CZ-CB 4.28Å; E98-E102 WeakPolarHBondContact O-CG 3.47Å; E98-E102 PolarHBondContact O-N 3.18Å; R100-E102 VanDerWaalsContact C-N 3.29Å; R100-E102 PolarHBondContact O-N 3.47Å; E102-H104 PolarHBondContact O-N 3.38Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.98Å; E102-R105 IonicContact OE1-CZ 3.89Å; E102-R105 VanDerWaalsContact OE1-CZ 3.32Å; E102-R105 IonicContact OE1-NH1 3.67Å; E102-R105 PolarHBondContact OE1-NH1 2.86Å; E102-R105 IonicContact OE1-NH2 2.86Å; E102-R105 PolarHBondContact OE1-NH2 3.39Å; E102-R105 IonicContact OE2-CZ 3.32Å; E102-R105 IonicContact OE2-NH1 3.24Å; E102-R105 PolarHBondContact OE2-NH1 3.08Å; E102-I106 WeakPolarHBondContact O-CD1 3.24Å; E102-I106 VanDerWaalsContact O-CG1 3.29Å; E102-I106 WeakPolarHBondContact O-CG1 3.37Å; E102-I106 PolarHBondContact O-N 3.29Å
103L98.8Very high98.1Very high0 Ų069.9 Ų69.90%031%0.308CS..Hα-helixtrans-56.4-50.3177.1175.964.5000111.3L84 F86 A99 R100 R105 I106 I107 I119 L139 L141L84-L103 HydrophobicContact CD2-CD1 4.08Å; F86-L103 HydrophobicContact CB-CD1 4.14Å; F86-L103 HydrophobicContact CD1-CB 4.35Å; F86-L103 HydrophobicContact CD1-CD1 4.21Å; F86-L103 HydrophobicContact CD2-CD1 4.09Å; F86-L103 HydrophobicContact CE1-CB 4Å; F86-L103 HydrophobicContact CE2-CB 4.23Å; F86-L103 HydrophobicContact CG-CD1 3.89Å; F86-L103 HydrophobicContact CZ-CB 3.93Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 PolarHBondContact O-N 3.33Å; R100-L103 PolarHBondContact O-N 3.32Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.29Å; L103-I106 PolarHBondContact O-N 3.49Å; L103-I107 HydrophobicContact CD1-CG2 3.85Å; L103-I107 HydrophobicContact CG-CG2 4.46Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG2 3.37Å; L103-I107 PolarHBondContact O-N 2.86Å; L103-I119 HydrophobicContact CD1-CD1 4.18Å; L103-I119 HydrophobicContact CD2-CD1 4.14Å; L103-L139 HydrophobicContact CD2-CB 4.13Å; L103-L139 HydrophobicContact CD2-CD1 4.1Å; L103-L141 HydrophobicContact CD2-CD2 3.55Å
104H98.5Very high97.9Very high36 Ų3671.8 Ų71.817%0.16733%0.326CS..Hα-helixtrans-66-31.8-179.5-79.9-86.1000112.1R100 E102 N108 L139R100-H104 PolarHBondContact O-CD2 2.86Å; R100-H104 VanDerWaalsContact O-CD2 3.24Å; R100-H104 PolarHBondContact O-N 3.21Å; E102-H104 PolarHBondContact O-N 3.38Å; H104-N108 VanDerWaalsContact O-CB 3.27Å; H104-N108 WeakPolarHBondContact O-CB 3.39Å; H104-N108 VanDerWaalsContact O-CG 3.26Å; H104-N108 PolarHBondContact O-N 2.87Å; H104-N108 PolarHBondContact O-ND2 3.49Å; H104-L139 PolarHBondContact NE2-O 3.14Å
105R98.3Very high97.8Very high134 Ų13464.5 Ų64.551%0.50629%0.287SS..Hα-helixtrans-65.4-42.4172.4-168.6-176.6-57.1132.86.1111.8Q101 E102 L103Q101-R105 WeakPolarHBondContact O-CB 3.42Å; Q101-R105 PolarHBondContact O-N 3Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.98Å; E102-R105 IonicContact OE1-CZ 3.89Å; E102-R105 VanDerWaalsContact OE1-CZ 3.32Å; E102-R105 IonicContact OE1-NH1 3.67Å; E102-R105 PolarHBondContact OE1-NH1 2.86Å; E102-R105 IonicContact OE1-NH2 2.86Å; E102-R105 PolarHBondContact OE1-NH2 3.39Å; E102-R105 IonicContact OE2-CZ 3.32Å; E102-R105 IonicContact OE2-NH1 3.24Å; E102-R105 PolarHBondContact OE2-NH1 3.08Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.29Å
106I98.6Very high97.8Very high0 Ų062 Ų620%028%0.278CS..Hα-helixtrans-64.5-54.4178.8-64.4154.8000110.9L19 W74 Y78 L84 F86 E102 L103 N108 D109 M112L19-I106 HydrophobicContact CB-CD1 4.11Å; L19-I106 HydrophobicContact CD1-CD1 3.57Å; L19-I106 HydrophobicContact CD1-CG1 3.91Å; L19-I106 HydrophobicContact CD1-CG2 4.15Å; L19-I106 HydrophobicContact CG-CD1 4.49Å; W74-I106 HydrophobicContact CE3-CD1 3.75Å; W74-I106 HydrophobicContact CE3-CG1 3.97Å; W74-I106 HydrophobicContact CZ3-CD1 3.62Å; W74-I106 HydrophobicContact CZ3-CG1 4.24Å; Y78-I106 HydrophobicContact CE1-CG1 4.49Å; Y78-I106 HydrophobicContact CE1-CG2 4.08Å; Y78-I106 WeakPolarHBondContact OH-CG1 2.95Å; L84-I106 HydrophobicContact CD1-CG2 4.36Å; L84-I106 HydrophobicContact CD2-CG2 3.85Å; F86-I106 HydrophobicContact CD2-CD1 3.89Å; F86-I106 HydrophobicContact CE2-CD1 3.63Å; E102-I106 WeakPolarHBondContact O-CD1 3.24Å; E102-I106 VanDerWaalsContact O-CG1 3.29Å; E102-I106 WeakPolarHBondContact O-CG1 3.37Å; E102-I106 PolarHBondContact O-N 3.29Å; L103-I106 PolarHBondContact O-N 3.49Å; I106-N108 VanDerWaalsContact C-N 3.28Å; I106-N108 PolarHBondContact O-N 2.96Å; I106-D109 VanDerWaalsContact O-CB 3.29Å; I106-D109 WeakPolarHBondContact O-CB 3.23Å; I106-D109 PolarHBondContact O-N 2.9Å; I106-D109 VanDerWaalsContact O-N 3.08Å; I106-M112 HydrophobicContact CG2-CE 3.85Å; I106-M112 HydrophobicContact CG2-CG 4.04Å; I106-M112 WeakPolarHBondContact O-CB 3.22Å; I106-M112 WeakPolarHBondContact O-CG 3.22Å
107I97.5Very high97.8Very high4 Ų461.6 Ų61.62%0.02128%0.276CS..Hα-helixtrans-72.6-21.7-169.468.5-177.3000113.3L84 L103 D109 I117 I144 R147L84-I107 HydrophobicContact CD2-CG2 3.97Å; L103-I107 HydrophobicContact CD1-CG2 3.85Å; L103-I107 HydrophobicContact CG-CG2 4.46Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG2 3.37Å; L103-I107 PolarHBondContact O-N 2.86Å; I107-D109 VanDerWaalsContact C-N 3.3Å; I107-I117 HydrophobicContact CB-CD1 4.31Å; I107-I117 HydrophobicContact CG2-CD1 3.61Å; I107-I117 HydrophobicContact CG2-CG1 4.33Å; I107-I144 HydrophobicContact CD1-CD1 3.35Å; I107-I144 HydrophobicContact CD1-CG1 3.59Å; I107-R147 VanDerWaalsContact O-CZ 3.28Å; I107-R147 PolarHBondContact O-NH1 3.15Å; I107-R147 PolarHBondContact O-NH2 2.91Å
108N96.8Very high97.8Very high120 Ų12058 Ų5864%0.64226%0.257SS*.THydrogen-bonded Turntrans-84-5.4174.3-71.1-42.1000112.8H104 I106H104-N108 VanDerWaalsContact O-CB 3.27Å; H104-N108 WeakPolarHBondContact O-CB 3.39Å; H104-N108 VanDerWaalsContact O-CG 3.26Å; H104-N108 PolarHBondContact O-N 2.87Å; H104-N108 PolarHBondContact O-ND2 3.49Å; I106-N108 VanDerWaalsContact C-N 3.28Å; I106-N108 PolarHBondContact O-N 2.96Å
109D98.2Very high97.8Very high49 Ų4955.3 Ų55.326%0.26224%0.244SC..SBendtrans-69.3135.7169.7-163.3-63.4000110.2Y78 I106 I107 E111 M112 R113Y78-D109 HydrophobicContact CD2-CB 3.74Å; Y78-D109 VanDerWaalsContact CD2-CG 3.47Å; Y78-D109 HydrophobicContact CE2-CB 3.65Å; I106-D109 VanDerWaalsContact O-CB 3.29Å; I106-D109 WeakPolarHBondContact O-CB 3.23Å; I106-D109 PolarHBondContact O-N 2.9Å; I106-D109 VanDerWaalsContact O-N 3.08Å; I107-D109 VanDerWaalsContact C-N 3.3Å; D109-E111 PolarHBondContact O-N 2.89Å; D109-E111 PolarHBondContact OD1-N 3.35Å; D109-M112 HydrophobicContact CB-CG 4.39Å; D109-M112 PolarHBondContact O-N 3.02Å; D109-R113 PolarHBondContact O-N 3.11Å
110R97.1Very high97.8Very high213 Ų21355.1 Ų55.180%0.80424%0.243SC*.G310 helixtrans-57-32.8-179.166.9-177.4-177.9-178.90.4112.8M112 R113R110-M112 PolarHBondContact O-N 3.37Å; R110-R113 WeakPolarHBondContact O-CB 3.08Å; R110-R113 PolarHBondContact O-N 3.15Å
111E98Very high97.8Very high73 Ų7351.3 Ų51.334%0.34123%0.228SC..G310 helixtrans-75.3-15.4-179.1-63-165.6166.800112.7T79 D109T79-E111 WeakPolarHBondContact CA-OE2 3.49Å; T79-E111 PolarHBondContact N-OE2 3.49Å; T79-E111 VanDerWaalsContact OG1-CD 3.25Å; T79-E111 PolarHBondContact OG1-OE1 3.24Å; T79-E111 PolarHBondContact OG1-OE2 3.36Å; D109-E111 PolarHBondContact O-N 2.89Å; D109-E111 PolarHBondContact OD1-N 3.35Å
112M97.7Very high97.8Very high2 Ų246 Ų461%0.0120%0.204CC..G310 helixtrans-100.81179.6-67.5-60.7-6800113.1L17 Y78 T81 L84 I106 D109 R110 D114 A115 R147L17-M112 HydrophobicContact CD2-SD 4.46Å; Y78-M112 HydrophobicContact CD1-CG 3.98Å; Y78-M112 HydrophobicContact CD1-SD 3.84Å; Y78-M112 HydrophobicContact CD2-CG 3.84Å; Y78-M112 HydrophobicContact CE1-CG 4.46Å; Y78-M112 HydrophobicContact CE2-CG 4.32Å; Y78-M112 HydrophobicContact CG-CG 3.65Å; Y78-M112 HydrophobicContact CG-SD 3.86Å; T81-M112 HydrophobicContact CG2-CE 3.93Å; T81-M112 HydrophobicContact CG2-SD 4.1Å; L84-M112 HydrophobicContact CB-CE 3.83Å; L84-M112 HydrophobicContact CD1-CE 4.21Å; L84-M112 HydrophobicContact CD2-CE 4.28Å; L84-M112 HydrophobicContact CG-CE 4.33Å; I106-M112 HydrophobicContact CG2-CE 3.85Å; I106-M112 HydrophobicContact CG2-CG 4.04Å; I106-M112 WeakPolarHBondContact O-CB 3.22Å; I106-M112 WeakPolarHBondContact O-CG 3.22Å; D109-M112 HydrophobicContact CB-CG 4.39Å; D109-M112 PolarHBondContact O-N 3.02Å; R110-M112 PolarHBondContact O-N 3.37Å; M112-D114 VanDerWaalsContact C-N 3.29Å; M112-D114 PolarHBondContact O-N 3.08Å; M112-A115 HydrophobicContact CE-CB 3.93Å; M112-A115 WeakPolarHBondContact O-CB 3.24Å; M112-A115 PolarHBondContact O-N 3.03Å; M112-A115 VanDerWaalsContact O-N 3.15Å; M112-R147 PolarHBondContact O-NH1 2.88Å
113R94.2Very high97.8Very high168 Ų16847.7 Ų47.763%0.63421%0.211SC*.THydrogen-bonded Turntrans-51.9-44.6-173.2-176.1-179.9178.6174.5-1113.4D109 R110 R147D109-R113 PolarHBondContact O-N 3.11Å; R110-R113 WeakPolarHBondContact O-CB 3.08Å; R110-R113 PolarHBondContact O-N 3.15Å; R113-R147 PolarHBondContact O-NH1 3.11Å
114D92.9Very high97.8Very high144 Ų14449.5 Ų49.577%0.7722%0.219SC*.THydrogen-bonded Turntrans-96.51.1-173.2-55.8-43.3000113.1M112 I116M112-D114 VanDerWaalsContact C-N 3.29Å; M112-D114 PolarHBondContact O-N 3.08Å; D114-I116 PolarHBondContact O-N 2.63Å
115A97.2Very high97.8Very high2 Ų252.5 Ų52.52%0.01724%0.236CC..  trans-72.2128179.800000111.1T81 Q82 M112 R147T81-A115 HydrophobicContact CG2-CB 4.32Å; Q82-A115 WeakPolarHBondContact O-CA 3.47Å; M112-A115 HydrophobicContact CE-CB 3.93Å; M112-A115 WeakPolarHBondContact O-CB 3.24Å; M112-A115 PolarHBondContact O-N 3.03Å; M112-A115 VanDerWaalsContact O-N 3.15Å; A115-R147 WeakPolarHBondContact O-CD 3.45Å
116I97.8Very high97.8Very high8 Ų849.4 Ų49.44%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-69.3142.2168.5-172.1168.6000110M14 Q82 G83 L84 D114 N148 W168 L169 N172 Y173M14-I116 HydrophobicContact CE-CG2 3.6Å; Q82-I116 PolarHBondContact O-N 2.91Å; G83-I116 CarbonylContact C-O 3.54Å; G83-I116 VanDerWaalsContact CA-O 3.26Å; G83-I116 WeakPolarHBondContact CA-O 3.42Å; L84-I116 PolarHBondContact N-O 3.29Å; D114-I116 PolarHBondContact O-N 2.63Å; I116-N148 HydrophobicContact CD1-CB 4.09Å; I116-N148 HydrophobicContact CG1-CB 4.04Å; I116-W168 HydrophobicContact CD1-CE3 4.45Å; I116-W168 HydrophobicContact CD1-CH2 3.51Å; I116-W168 HydrophobicContact CD1-CZ2 4.12Å; I116-W168 HydrophobicContact CD1-CZ3 3.7Å; I116-W168 HydrophobicContact CG1-CH2 3.44Å; I116-W168 VanDerWaalsContact CG1-CH2 3.44Å; I116-W168 HydrophobicContact CG1-CZ2 4.42Å; I116-W168 HydrophobicContact CG1-CZ3 3.68Å; I116-L169 HydrophobicContact CG2-CD2 3.67Å; I116-N172 VanDerWaalsContact CD1-C 3.5Å; I116-N172 HydrophobicContact CD1-CB 3.6Å; I116-N172 WeakPolarHBondContact CD1-O 3.48Å; I116-Y173 HydrophobicContact CG2-CD2 4Å
117I98.6Very high97.7Very high1 Ų154.3 Ų54.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-112.2114.9-173-56.2163.7000110.7L84 I107 I119 I144 R147 N148 W149 Y150 W168L84-I117 HydrophobicContact CD2-CG1 4.48Å; L84-I117 HydrophobicContact CD2-CG2 4.37Å; I107-I117 HydrophobicContact CB-CD1 4.31Å; I107-I117 HydrophobicContact CG2-CD1 3.61Å; I107-I117 HydrophobicContact CG2-CG1 4.33Å; I117-I119 HydrophobicContact CG2-CD1 3.57Å; I117-I119 HydrophobicContact CG2-CG1 4.28Å; I117-I144 HydrophobicContact CD1-CD1 4.27Å; I117-I144 HydrophobicContact CD1-CG2 4.3Å; I117-R147 HydrophobicContact CD1-CG 3.93Å; I117-N148 PolarHBondContact N-O 3.32Å; I117-W149 HydrophobicContact CB-CB 3.88Å; I117-W149 HydrophobicContact CG2-CB 4.34Å; I117-W149 CarbonylContact O-C 3.54Å; I117-W149 WeakPolarHBondContact O-CA 3.47Å; I117-Y150 PolarHBondContact O-N 3.11Å; I117-W168 VanDerWaalsContact O-CH2 3.29Å; I117-W168 WeakPolarHBondContact O-CH2 3.27Å; I117-W168 WeakPolarHBondContact O-CZ3 3.36Å
118L98.9Very high97.5Very high0 Ų060.5 Ų60.50%029%0.294CS..EExtended strand (participates in β ladder)trans-102.4125.3165176.166.1000108.9L84 I85 F86 F120 Y150 Q152 W168 L169L84-L118 PolarHBondContact O-N 3.42Å; I85-L118 CarbonylContact C-O 3.51Å; I85-L118 VanDerWaalsContact CA-O 3.32Å; I85-L118 WeakPolarHBondContact CA-O 3.45Å; I85-L118 HydrophobicContact CD1-CD2 4.35Å; I85-L118 HydrophobicContact CG1-CB 4.31Å; I85-L118 HydrophobicContact CG1-CD2 4.23Å; F86-L118 PolarHBondContact N-O 3.08Å; L118-F120 HydrophobicContact CD2-CD2 4.39Å; L118-F120 HydrophobicContact CD2-CE1 4.1Å; L118-F120 HydrophobicContact CD2-CE2 3.86Å; L118-F120 HydrophobicContact CD2-CZ 3.69Å; L118-Y150 HydrophobicContact CD1-CD1 3.98Å; L118-Q152 HydrophobicContact CD1-CB 3.9Å; L118-W168 HydrophobicContact CB-CE3 4.22Å; L118-W168 HydrophobicContact CB-CZ3 4.02Å; L118-W168 HydrophobicContact CD1-CE3 3.94Å; L118-W168 HydrophobicContact CD1-CZ3 4.4Å; L118-L169 HydrophobicContact CB-CD1 4.21Å; L118-L169 HydrophobicContact CB-CD2 3.93Å; L118-L169 HydrophobicContact CB-CG 4.03Å; L118-L169 HydrophobicContact CD2-CD1 3.68Å; L118-L169 HydrophobicContact CD2-CG 3.95Å
119I98.9Very high97.6Very high0 Ų055 Ų550%027%0.266CS..EExtended strand (participates in β ladder)trans-98.5117.8169.1-48.3-59.7000108F86 V88 L103 I117 A121 I135 L139 L141 Y150 V151 Q152F86-I119 HydrophobicContact CB-CD1 3.69Å; F86-I119 HydrophobicContact CD1-CD1 4.37Å; F86-I119 HydrophobicContact CG-CD1 4.43Å; F86-I119 CarbonylContact O-C 3.6Å; F86-I119 VanDerWaalsContact O-CA 3.3Å; F86-I119 WeakPolarHBondContact O-CA 3.5Å; V88-I119 HydrophobicContact CG2-CG2 3.95Å; L103-I119 HydrophobicContact CD1-CD1 4.18Å; L103-I119 HydrophobicContact CD2-CD1 4.14Å; I117-I119 HydrophobicContact CG2-CD1 3.57Å; I117-I119 HydrophobicContact CG2-CG1 4.28Å; I119-A121 PolarHBondContact O-N 3.41Å; I119-I135 HydrophobicContact CG2-CG2 4.18Å; I119-L139 HydrophobicContact CG2-CD1 3.97Å; I119-L141 HydrophobicContact CG1-CD1 4.01Å; I119-L141 HydrophobicContact CG1-CD2 4.43Å; I119-Y150 PolarHBondContact N-O 3.39Å; I119-V151 HydrophobicContact CB-CB 4.49Å; I119-V151 HydrophobicContact CB-CG1 4.44Å; I119-V151 HydrophobicContact CB-CG2 4.15Å; I119-V151 HydrophobicContact CG1-CG2 4.31Å; I119-V151 HydrophobicContact CG2-CG1 4.47Å; I119-V151 WeakPolarHBondContact O-CA 3.39Å; I119-Q152 PolarHBondContact O-N 2.83Å
120F98.9Very high97.6Very high0 Ų052.7 Ų52.70%025%0.254CS..EExtended strand (participates in β ladder)trans-85.5108.1163.7-81.8-53.4000108.7I29 I85 F86 V87 V88 L118 N122 Q152 L162I29-F120 HydrophobicContact CD1-CB 4.16Å; I29-F120 HydrophobicContact CD1-CD2 3.96Å; I29-F120 HydrophobicContact CD1-CG 4.21Å; I29-F120 HydrophobicContact CG2-CD2 4.39Å; I29-F120 HydrophobicContact CG2-CE2 4.15Å; I85-F120 HydrophobicContact CD1-CE2 4.18Å; I85-F120 HydrophobicContact CG2-CD2 3.41Å; I85-F120 VanDerWaalsContact CG2-CD2 3.41Å; I85-F120 HydrophobicContact CG2-CE2 3.8Å; I85-F120 HydrophobicContact CG2-CG 4.47Å; F86-F120 PolarHBondContact O-N 2.93Å; V87-F120 HydrophobicContact CG1-CB 4.42Å; V87-F120 HydrophobicContact CG2-CB 4.4Å; V88-F120 PolarHBondContact N-O 3.44Å; L118-F120 HydrophobicContact CD2-CD2 4.39Å; L118-F120 HydrophobicContact CD2-CE1 4.1Å; L118-F120 HydrophobicContact CD2-CE2 3.86Å; L118-F120 HydrophobicContact CD2-CZ 3.69Å; F120-N122 PolarHBondContact O-N 3.28Å; F120-Q152 HydrophobicContact CD1-CB 3.99Å; F120-Q152 HydrophobicContact CD1-CG 3.96Å; F120-Q152 HydrophobicContact CE1-CB 4.12Å; F120-Q152 HydrophobicContact CE1-CG 3.77Å; F120-L162 HydrophobicContact CD1-CD2 4.25Å; F120-L162 HydrophobicContact CE1-CD2 3.95Å; F120-L162 HydrophobicContact CE2-CD2 4.4Å; F120-L162 HydrophobicContact CZ-CD2 4.04Å
121A98.9Very high97.6Very high0 Ų047.3 Ų47.30%024%0.236CC..EExtended strand (participates in β ladder)trans-77.480.7168.300000107.9C90 I119 Q124 I135 V151 Q152 S154C90-A121 WeakPolarHBondContact SG-CA 3.31Å; C90-A121 VanDerWaalsContact SG-CB 3.57Å; I119-A121 PolarHBondContact O-N 3.41Å; A121-Q124 VanDerWaalsContact O-CG 3.29Å; A121-Q124 WeakPolarHBondContact O-CG 3.43Å; A121-Q124 PolarHBondContact O-NE2 3.11Å; A121-I135 HydrophobicContact CB-CG1 4.16Å; A121-V151 HydrophobicContact CB-CG1 3.76Å; A121-Q152 PolarHBondContact N-O 3.45Å; A121-S154 PolarHBondContact O-N 3.36Å
122N98.9Very high97.7Very high2 Ų245.6 Ų45.61%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-84.9162.3-167.7-169.239.2000113.1A24 I29 V87 V88 C90 F120 S154 A156A24-N122 PolarHBondContact O-ND2 3.34Å; I29-N122 HydrophobicContact CD1-CB 4.49Å; V87-N122 HydrophobicContact CG1-CB 3.84Å; V88-N122 WeakPolarHBondContact O-CA 3.29Å; V88-N122 WeakPolarHBondContact O-CB 3.32Å; V88-N122 PolarHBondContact O-N 3.36Å; C90-N122 VanDerWaalsContact CB-O 3.23Å; C90-N122 WeakPolarHBondContact CB-O 3.29Å; C90-N122 PolarHBondContact N-O 3.09Å; C90-N122 PolarHBondContact SG-O 3.46Å; F120-N122 PolarHBondContact O-N 3.28Å; N122-S154 CarbonylContact C-O 3.59Å; N122-S154 WeakPolarHBondContact CA-O 3.37Å; N122-S154 WeakPolarHBondContact CA-OG 3.48Å; N122-S154 PolarHBondContact OD1-O 3.22Å; N122-S154 PolarHBondContact OD1-OG 3.01Å; N122-A156 PolarHBondContact OD1-N 3.17Å
123K98.7Very high97.7Very high46 Ų4651.8 Ų51.820%0.226%0.26CS..  trans65.839.5-179.4-45.3-164.9-166.2171.90113.5A23 D89 D125 L126 A129 S154A23-K123 WeakPolarHBondContact O-CE 3.36Å; A23-K123 PolarHBondContact O-NZ 2.89Å; D89-K123 WeakPolarHBondContact OD1-CD 3.44Å; D89-K123 VanDerWaalsContact OD2-CE 3.27Å; D89-K123 WeakPolarHBondContact OD2-CE 3.29Å; D89-K123 IonicContact OD2-NZ 3.81Å; D89-K123 PolarHBondContact OD2-NZ 2.89Å; K123-D125 VanDerWaalsContact C-OD1 3.3Å; K123-D125 WeakPolarHBondContact CA-OD1 3.42Å; K123-D125 PolarHBondContact O-N 2.78Å; K123-L126 HydrophobicContact CB-CD1 3.78Å; K123-L126 HydrophobicContact CB-CG 4.03Å; K123-L126 HydrophobicContact CD-CD1 3.71Å; K123-L126 HydrophobicContact CG-CD1 4.38Å; K123-L126 PolarHBondContact O-N 3.24Å; K123-L126 VanDerWaalsContact O-N 3.17Å; K123-A129 WeakPolarHBondContact O-CB 3.4Å; K123-S154 PolarHBondContact N-O 3.38Å; K123-S154 VanDerWaalsContact N-O 3.07Å
124Q98.7Very high97.9Very high38 Ų3845.5 Ų45.518%0.17824%0.237CC..THydrogen-bonded Turntrans-65.8-12.7177.5-69.8-65-5500114.1C90 A121 L126 M130 P153 S154C90-Q124 PolarHBondContact SG-NE2 3.5Å; A121-Q124 VanDerWaalsContact O-CG 3.29Å; A121-Q124 WeakPolarHBondContact O-CG 3.43Å; A121-Q124 PolarHBondContact O-NE2 3.11Å; Q124-L126 VanDerWaalsContact C-N 3.34Å; Q124-M130 PolarHBondContact NE2-O 2.95Å; Q124-P153 HydrophobicContact CG-CB 3.98Å; Q124-S154 PolarHBondContact N-O 2.89Å
125D98.3Very high98.1Very high98 Ų9838.6 Ų38.652%0.52420%0.201SC..THydrogen-bonded Turntrans-76.2-18174.158.2-60.7000113.6K123 C155K123-D125 VanDerWaalsContact C-OD1 3.3Å; K123-D125 WeakPolarHBondContact CA-OD1 3.42Å; K123-D125 PolarHBondContact O-N 2.78Å; D125-C155 PolarHBondContact OD1-SG 3.49Å
126L98.4Very high98.2Very high69 Ų6941.9 Ų41.936%0.36122%0.216SC..SBendtrans-81150.3-178.2-64.2-174.7000112.4A91 K123 Q124 A129A91-L126 HydrophobicContact CB-CB 3.95Å; A91-L126 HydrophobicContact CB-CD1 3.74Å; K123-L126 HydrophobicContact CB-CD1 3.78Å; K123-L126 HydrophobicContact CB-CG 4.03Å; K123-L126 HydrophobicContact CD-CD1 3.71Å; K123-L126 HydrophobicContact CG-CD1 4.38Å; K123-L126 PolarHBondContact O-N 3.24Å; K123-L126 VanDerWaalsContact O-N 3.17Å; Q124-L126 VanDerWaalsContact C-N 3.34Å; L126-A129 VanDerWaalsContact O-CB 3.32Å; L126-A129 WeakPolarHBondContact O-CB 3.38Å; L126-A129 PolarHBondContact O-N 3.22Å
127P96.1Very high98.2Very high103 Ų10348.5 Ų48.567%0.66925%0.247SC*.THydrogen-bonded Turntrans-59.3146.1173.926.6-34.7000110.9A129P127-A129 PolarHBondContact O-N 3.07Å
128D93.9Very high98.2Very high134 Ų13452.5 Ų52.572%0.71726%0.264SS*.THydrogen-bonded Turntrans5813.5178.2-55.1-43.9000116.2R93 M130R93-D128 PolarHBondContact NE-O 2.78Å; R93-D128 PolarHBondContact NH2-O 2.64Å; D128-M130 PolarHBondContact O-N 3.03Å
129A98.5Very high98.2Very high5 Ų552.5 Ų52.54%0.04126%0.264CS..PPolyproline II helixtrans-56.1122.2175.900000111.3C90 K123 L126 P127 K131C90-A129 HydrophobicContact CB-CB 4Å; C90-A129 CarbonylContact O-C 3.57Å; C90-A129 WeakPolarHBondContact O-CA 3.34Å; K123-A129 WeakPolarHBondContact O-CB 3.4Å; L126-A129 VanDerWaalsContact O-CB 3.32Å; L126-A129 WeakPolarHBondContact O-CB 3.38Å; L126-A129 PolarHBondContact O-N 3.22Å; P127-A129 PolarHBondContact O-N 3.07Å; A129-K131 PolarHBondContact O-N 3.46Å
130M98.7Very high98.2Very high1 Ų152.9 Ų52.91%0.00527%0.268CS..PPolyproline II helixtrans-53.3128.8175-68.2179-81.100110.4C90 R93 I96 Q124 D128 E134 I135C90-M130 HydrophobicContact CB-CB 4.26Å; C90-M130 WeakPolarHBondContact CB-O 3.29Å; C90-M130 WeakPolarHBondContact O-CE 3.43Å; C90-M130 PolarHBondContact O-N 2.94Å; R93-M130 HydrophobicContact CG-CE 4.06Å; R93-M130 HydrophobicContact CG-CG 4.02Å; R93-M130 HydrophobicContact CG-SD 4.07Å; R93-M130 VanDerWaalsContact CZ-CG 3.45Å; I96-M130 HydrophobicContact CB-CE 4.11Å; I96-M130 HydrophobicContact CB-SD 4.37Å; I96-M130 HydrophobicContact CD1-CE 3.99Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.09Å; I96-M130 HydrophobicContact CG1-SD 4.08Å; Q124-M130 PolarHBondContact NE2-O 2.95Å; D128-M130 PolarHBondContact O-N 3.03Å; M130-E134 WeakPolarHBondContact CA-OE2 3.41Å; M130-E134 HydrophobicContact CB-CB 4.41Å; M130-E134 HydrophobicContact CB-CG 4.26Å; M130-E134 HydrophobicContact CG-CG 4.22Å; M130-E134 WeakPolarHBondContact CG-OE2 3.28Å; M130-I135 HydrophobicContact CB-CD1 3.59Å; M130-I135 HydrophobicContact CB-CG1 4.02Å; M130-I135 HydrophobicContact CE-CD1 3.95Å; M130-I135 HydrophobicContact CG-CD1 4.39Å; M130-I135 HydrophobicContact SD-CD1 4Å
131K98.2Very high98.2Very high100 Ų10052.9 Ų52.944%0.43527%0.268SS..PPolyproline II helixtrans-78.4159.7179.8-60.6-53.8178.9-166.20110.8A129 H133 E134 I135A129-K131 PolarHBondContact O-N 3.46Å; K131-H133 PolarHBondContact O-N 2.93Å; K131-H133 VanDerWaalsContact O-N 3.08Å; K131-E134 WeakPolarHBondContact O-CA 3.37Å; K131-E134 WeakPolarHBondContact O-CB 3.3Å; K131-E134 PolarHBondContact O-N 3.42Å; K131-I135 PolarHBondContact O-N 2.86Å
132P98.3Very high98Very high36 Ų3657 Ų5723%0.23429%0.293CS..Hα-helixtrans-52-36.7-175.7-32.637.8000115.5I135 Q136 V151 P153P132-I135 PolarHBondContact O-N 2.94Å; P132-Q136 WeakPolarHBondContact O-CB 3.49Å; P132-Q136 PolarHBondContact O-N 3.32Å; P132-V151 HydrophobicContact CB-CB 4.49Å; P132-V151 HydrophobicContact CB-CG1 3.91Å; P132-P153 HydrophobicContact CG-CB 3.72Å; P132-P153 HydrophobicContact CG-CG 3.93Å
133H97.8Very high97.8Very high132 Ų13266.4 Ų66.461%0.61133%0.328SS*.Hα-helixtrans-66-39.8176.771.1-90000112.2K131 Q136 E137K131-H133 PolarHBondContact O-N 2.93Å; K131-H133 VanDerWaalsContact O-N 3.08Å; H133-Q136 WeakPolarHBondContact O-CB 3.39Å; H133-Q136 PolarHBondContact O-N 3.39Å; H133-E137 PolarHBondContact O-N 3.19Å; H133-E137 VanDerWaalsContact O-N 3.11Å
134E98.6Very high97.7Very high36 Ų3664.7 Ų64.717%0.16832%0.322CS..Hα-helixtrans-67.1-42.2176.3-176.3177.3-173.200110.4R93 M130 K131 Q136 E137 K138R93-E134 IonicContact CZ-OE1 2.68Å; R93-E134 IonicContact CZ-OE2 3.59Å; R93-E134 IonicContact NH1-OE1 2.75Å; R93-E134 PolarHBondContact NH1-OE1 3.27Å; R93-E134 IonicContact NH1-OE2 3.59Å; R93-E134 IonicContact NH2-OE1 2.81Å; R93-E134 IonicContact NH2-OE2 3.56Å; R93-E134 PolarHBondContact NH2-OE2 3.19Å; M130-E134 WeakPolarHBondContact CA-OE2 3.41Å; M130-E134 HydrophobicContact CB-CB 4.41Å; M130-E134 HydrophobicContact CB-CG 4.26Å; M130-E134 HydrophobicContact CG-CG 4.22Å; M130-E134 WeakPolarHBondContact CG-OE2 3.28Å; K131-E134 WeakPolarHBondContact O-CA 3.37Å; K131-E134 WeakPolarHBondContact O-CB 3.3Å; K131-E134 PolarHBondContact O-N 3.42Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 3.14Å; E134-K138 HydrophobicContact CG-CG 4.11Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.42Å; E134-K138 PolarHBondContact O-N 2.95Å
135I98.7Very high97.4Very high0 Ų073.8 Ų73.80%035%0.354CS..Hα-helixtrans-59.3-44.3173.8-66.2-58.5000111.2V88 I96 I119 A121 M130 K131 P132 E137 K138 L139 V151V88-I135 HydrophobicContact CG1-CD1 3.99Å; I96-I135 HydrophobicContact CD1-CD1 4.09Å; I119-I135 HydrophobicContact CG2-CG2 4.18Å; A121-I135 HydrophobicContact CB-CG1 4.16Å; M130-I135 HydrophobicContact CB-CD1 3.59Å; M130-I135 HydrophobicContact CB-CG1 4.02Å; M130-I135 HydrophobicContact CE-CD1 3.95Å; M130-I135 HydrophobicContact CG-CD1 4.39Å; M130-I135 HydrophobicContact SD-CD1 4Å; K131-I135 PolarHBondContact O-N 2.86Å; P132-I135 PolarHBondContact O-N 2.94Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-E137 PolarHBondContact O-N 2.97Å; I135-K138 PolarHBondContact O-N 2.77Å; I135-L139 HydrophobicContact CG2-CD1 3.57Å; I135-L139 HydrophobicContact CG2-CG 4.12Å; I135-L139 VanDerWaalsContact O-CB 3.29Å; I135-L139 WeakPolarHBondContact O-CB 3.48Å; I135-L139 VanDerWaalsContact O-CG 3.29Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 2.93Å; I135-V151 HydrophobicContact CB-CG1 4.38Å; I135-V151 HydrophobicContact CG2-CG1 4.06Å
136Q98.5Very high97.1Very high71 Ų7174 Ų7433%0.33236%0.355SS..Hα-helixtrans-58.3-43.4177.5-179.6-176.8-4400111.9P132 H133 E134 G140 L141 W149 V151P132-Q136 WeakPolarHBondContact O-CB 3.49Å; P132-Q136 PolarHBondContact O-N 3.32Å; H133-Q136 WeakPolarHBondContact O-CB 3.39Å; H133-Q136 PolarHBondContact O-N 3.39Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.44Å; Q136-G140 PolarHBondContact O-N 2.81Å; Q136-L141 HydrophobicContact CB-CD1 4.32Å; Q136-L141 HydrophobicContact CG-CB 4.13Å; Q136-L141 HydrophobicContact CG-CD1 4.26Å; Q136-L141 PolarHBondContact O-N 2.84Å; Q136-L141 VanDerWaalsContact O-N 3.09Å; Q136-W149 HydrophobicContact CG-CH2 3.77Å; Q136-W149 HydrophobicContact CG-CZ3 3.95Å; Q136-V151 HydrophobicContact CB-CG2 4.37Å
137E98.5Very high96.8Very high147 Ų14772.3 Ų72.369%0.68734%0.344SS*.Hα-helixtrans-67.9-53.9177-173.1-173.6158.600111.6H133 E134 I135 L139 G140H133-E137 PolarHBondContact O-N 3.19Å; H133-E137 VanDerWaalsContact O-N 3.11Å; E134-E137 PolarHBondContact O-N 3.14Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-E137 PolarHBondContact O-N 2.97Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 2.81Å; E137-G140 WeakPolarHBondContact O-CA 3.24Å; E137-G140 PolarHBondContact O-N 2.82Å
138K98.7Very high96.7Very high84 Ų8471.1 Ų71.137%0.36533%0.332SS..Hα-helixtrans-62.1-37-175.3-71-70.1-174.8-166.70112.8I96 R100 E134 I135 G140I96-K138 HydrophobicContact CD1-CB 4.35Å; I96-K138 HydrophobicContact CG1-CB 3.6Å; I96-K138 HydrophobicContact CG1-CG 4.18Å; I96-K138 HydrophobicContact CG2-CD 4.39Å; R100-K138 VanDerWaalsContact CD-O 3.31Å; R100-K138 WeakPolarHBondContact CD-O 3.45Å; R100-K138 PolarHBondContact NH1-O 2.63Å; E134-K138 HydrophobicContact CG-CG 4.11Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.42Å; E134-K138 PolarHBondContact O-N 2.95Å; I135-K138 PolarHBondContact O-N 2.77Å; K138-G140 VanDerWaalsContact C-N 3.27Å; K138-G140 PolarHBondContact O-N 3.4Å
139L98.8Very high96.9Very high0 Ų067.7 Ų67.70%031%0.309CS..THydrogen-bonded Turntrans-79.2-8.3174.4-63.5-179.5000113.1V88 I96 A99 R100 L103 H104 I119 I135 E137 L141V88-L139 HydrophobicContact CG2-CD1 4.06Å; I96-L139 HydrophobicContact CD1-CD2 3.91Å; I96-L139 HydrophobicContact CD1-CG 4.45Å; A99-L139 HydrophobicContact CB-CD2 4.35Å; R100-L139 HydrophobicContact CB-CD2 4.19Å; L103-L139 HydrophobicContact CD2-CB 4.13Å; L103-L139 HydrophobicContact CD2-CD1 4.1Å; H104-L139 PolarHBondContact NE2-O 3.14Å; I119-L139 HydrophobicContact CG2-CD1 3.97Å; I135-L139 HydrophobicContact CG2-CD1 3.57Å; I135-L139 HydrophobicContact CG2-CG 4.12Å; I135-L139 VanDerWaalsContact O-CB 3.29Å; I135-L139 WeakPolarHBondContact O-CB 3.48Å; I135-L139 VanDerWaalsContact O-CG 3.29Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 2.93Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 2.81Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 HydrophobicContact CB-CD2 3.72Å; L139-L141 HydrophobicContact CB-CG 3.94Å; L139-L141 HydrophobicContact CD1-CD2 4.24Å; L139-L141 PolarHBondContact O-N 3.08Å
140G98.2Very high96.9Very high9 Ų971.8 Ų71.89%0.09332%0.324CS..THydrogen-bonded Turntrans63.437.3-179.800000113.3Q136 E137 K138 T142 R143Q136-G140 PolarHBondContact O-N 2.81Å; E137-G140 WeakPolarHBondContact O-CA 3.24Å; E137-G140 PolarHBondContact O-N 2.82Å; K138-G140 VanDerWaalsContact C-N 3.27Å; K138-G140 PolarHBondContact O-N 3.4Å; G140-T142 PolarHBondContact O-N 3.3Å; G140-R143 VanDerWaalsContact O-CB 3.31Å; G140-R143 WeakPolarHBondContact O-CB 3.44Å; G140-R143 WeakPolarHBondContact O-CG 3.14Å; G140-R143 PolarHBondContact O-N 3.15Å; G140-R143 VanDerWaalsContact O-N 3.11Å
141L98.3Very high96.9Very high0 Ų072.1 Ų72.10%033%0.326CS..G310 helixtrans-65.3-26.8-174.2-57.6-175.4000112.9L103 I119 Q136 L139 R143 I144 W149 V151L103-L141 HydrophobicContact CD2-CD2 3.55Å; I119-L141 HydrophobicContact CG1-CD1 4.01Å; I119-L141 HydrophobicContact CG1-CD2 4.43Å; Q136-L141 HydrophobicContact CB-CD1 4.32Å; Q136-L141 HydrophobicContact CG-CB 4.13Å; Q136-L141 HydrophobicContact CG-CD1 4.26Å; Q136-L141 PolarHBondContact O-N 2.84Å; Q136-L141 VanDerWaalsContact O-N 3.09Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 HydrophobicContact CB-CD2 3.72Å; L139-L141 HydrophobicContact CB-CG 3.94Å; L139-L141 HydrophobicContact CD1-CD2 4.24Å; L139-L141 PolarHBondContact O-N 3.08Å; L141-R143 PolarHBondContact O-N 3.25Å; L141-R143 VanDerWaalsContact O-N 3.1Å; L141-I144 HydrophobicContact CD2-CD1 3.9Å; L141-I144 VanDerWaalsContact O-CB 3.31Å; L141-I144 WeakPolarHBondContact O-CB 3.4Å; L141-I144 PolarHBondContact O-N 3.29Å; L141-W149 HydrophobicContact CB-CD2 3.98Å; L141-W149 HydrophobicContact CB-CE3 4Å; L141-W149 HydrophobicContact CB-CH2 3.98Å; L141-W149 HydrophobicContact CB-CZ2 3.91Å; L141-W149 HydrophobicContact CB-CZ3 4.01Å; L141-W149 HydrophobicContact CD1-CD2 4.37Å; L141-W149 HydrophobicContact CD1-CE3 3.73Å; L141-W149 HydrophobicContact CD1-CZ3 3.9Å; L141-W149 HydrophobicContact CG-CE3 4.49Å; L141-W149 PolarHBondContact O-NE1 2.91Å; L141-V151 HydrophobicContact CD1-CG2 3.3Å
142T95.4Very high97Very high85 Ų8568.1 Ų68.152%0.52131%0.309SS..G310 helixtrans-64.1-13.8175.8570000113.7G140 I144G140-T142 PolarHBondContact O-N 3.3Å; T142-I144 VanDerWaalsContact C-N 3.32Å
143R94.7Very high97Very high200 Ų20068.8 Ų68.876%0.75531%0.313SS*.G310 helixtrans-76.9-21.1171.1-59.7-178.3176.7-171.4-1112.3G140 L141 R145G140-R143 VanDerWaalsContact O-CB 3.31Å; G140-R143 WeakPolarHBondContact O-CB 3.44Å; G140-R143 WeakPolarHBondContact O-CG 3.14Å; G140-R143 PolarHBondContact O-N 3.15Å; G140-R143 VanDerWaalsContact O-N 3.11Å; L141-R143 PolarHBondContact O-N 3.25Å; L141-R143 VanDerWaalsContact O-N 3.1Å; R143-R145 PolarHBondContact O-N 3.34Å
144I95.6Very high97Very high11 Ų1162.6 Ų62.66%0.05629%0.285CS..  trans-85104.1178.7-48.4171.4000107.7I107 I117 L141 T142 R147 W149I107-I144 HydrophobicContact CD1-CD1 3.35Å; I107-I144 HydrophobicContact CD1-CG1 3.59Å; I117-I144 HydrophobicContact CD1-CD1 4.27Å; I117-I144 HydrophobicContact CD1-CG2 4.3Å; L141-I144 HydrophobicContact CD2-CD1 3.9Å; L141-I144 VanDerWaalsContact O-CB 3.31Å; L141-I144 WeakPolarHBondContact O-CB 3.4Å; L141-I144 PolarHBondContact O-N 3.29Å; T142-I144 VanDerWaalsContact C-N 3.32Å; I144-R147 HydrophobicContact CG2-CG 3.84Å; I144-W149 PolarHBondContact O-NE1 3.25Å; I144-W149 VanDerWaalsContact O-NE1 3.09Å
145R93.2Very high97Very high229 Ų22961.2 Ų61.286%0.86428%0.279SS*.  trans-116.3-10.1-175.3-62.8-176.6178.6-177.1-1.2113.7R143R143-R145 PolarHBondContact O-N 3.34Å
146D92.4Very high97Very high102 Ų10261.5 Ų61.555%0.54528%0.281SS..SBendtrans-92.6-8.3-172.761-16000113.4
147R91.5Very high97Very high34 Ų3461.6 Ų61.613%0.12829%0.287CS..SBendtrans-154.9162.4-177.869.7-158.397.9176.64.8113.2I107 M112 R113 A115 I117 I144I107-R147 VanDerWaalsContact O-CZ 3.28Å; I107-R147 PolarHBondContact O-NH1 3.15Å; I107-R147 PolarHBondContact O-NH2 2.91Å; M112-R147 PolarHBondContact O-NH1 2.88Å; R113-R147 PolarHBondContact O-NH1 3.11Å; A115-R147 WeakPolarHBondContact O-CD 3.45Å; I117-R147 HydrophobicContact CD1-CG 3.93Å; I144-R147 HydrophobicContact CG2-CG 3.84Å
148N95Very high96.9Very high77 Ų7757.1 Ų57.141%0.41227%0.272SS..  trans-72.4133.6177.1-72.2-17000110.8I116 I117 W168I116-N148 HydrophobicContact CD1-CB 4.09Å; I116-N148 HydrophobicContact CG1-CB 4.04Å; I117-N148 PolarHBondContact N-O 3.32Å; N148-W168 HydrophobicContact CB-CH2 4.45Å; N148-W168 HydrophobicContact CB-CZ2 4.36Å
149W97.8Very high96.9Very high63 Ų6353.6 Ų53.624%0.23926%0.259CS..EExtended strand (participates in β ladder)trans-137.5156.517057.5-97.9000111.2I117 Q136 L141 I144 V151I117-W149 HydrophobicContact CB-CB 3.88Å; I117-W149 HydrophobicContact CG2-CB 4.34Å; I117-W149 CarbonylContact O-C 3.54Å; I117-W149 WeakPolarHBondContact O-CA 3.47Å; Q136-W149 HydrophobicContact CG-CH2 3.77Å; Q136-W149 HydrophobicContact CG-CZ3 3.95Å; L141-W149 HydrophobicContact CB-CD2 3.98Å; L141-W149 HydrophobicContact CB-CE3 4Å; L141-W149 HydrophobicContact CB-CH2 3.98Å; L141-W149 HydrophobicContact CB-CZ2 3.91Å; L141-W149 HydrophobicContact CB-CZ3 4.01Å; L141-W149 HydrophobicContact CD1-CD2 4.37Å; L141-W149 HydrophobicContact CD1-CE3 3.73Å; L141-W149 HydrophobicContact CD1-CZ3 3.9Å; L141-W149 HydrophobicContact CG-CE3 4.49Å; L141-W149 PolarHBondContact O-NE1 2.91Å; I144-W149 PolarHBondContact O-NE1 3.25Å; I144-W149 VanDerWaalsContact O-NE1 3.09Å; W149-V151 HydrophobicContact CZ3-CG2 4.42Å
150Y98.6Very high96.9Very high90 Ų9058.6 Ų58.635%0.35329%0.286SS..EExtended strand (participates in β ladder)trans-149.9146.3174.5179.7-117.2000111.8I117 L118 I119 Q152 W168I117-Y150 PolarHBondContact O-N 3.11Å; L118-Y150 HydrophobicContact CD1-CD1 3.98Å; I119-Y150 PolarHBondContact N-O 3.39Å; Y150-Q152 HydrophobicContact CD1-CB 4.18Å; Y150-Q152 HydrophobicContact CE1-CB 3.91Å; Y150-W168 VanDerWaalsContact CB-CD2 3.47Å; Y150-W168 HydrophobicContact CD1-CB 4.02Å; Y150-W168 AromaticContact CD1-CD1 3.71Å; Y150-W168 AromaticContact CD1-CD2 3.88Å; Y150-W168 HydrophobicContact CD1-CD2 3.88Å; Y150-W168 HydrophobicContact CD1-CE3 4.47Å; Y150-W168 AromaticContact CD1-CG 3.59Å; Y150-W168 HydrophobicContact CD1-CG 3.59Å; Y150-W168 HydrophobicContact CE1-CB 4.39Å; Y150-W168 HydrophobicContact CE1-CG 4.27Å; Y150-W168 AromaticContact CG-CD1 3.73Å; Y150-W168 AromaticContact CG-CD2 3.94Å; Y150-W168 HydrophobicContact CG-CD2 3.94Å; Y150-W168 AromaticContact CG-CE2 3.82Å; Y150-W168 AromaticContact CG-CG 3.94Å; Y150-W168 HydrophobicContact CG-CG 3.94Å; Y150-W168 HydrophobicContact CG-CZ2 4.41Å; Y150-W168 AromaticContact CG-NE1 3.66Å
151V98.9Very high96.9Very high9 Ų958.6 Ų58.66%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-106.3112.8174.8-173.50000108.5I119 A121 P132 I135 Q136 L141 W149I119-V151 HydrophobicContact CB-CB 4.49Å; I119-V151 HydrophobicContact CB-CG1 4.44Å; I119-V151 HydrophobicContact CB-CG2 4.15Å; I119-V151 HydrophobicContact CG1-CG2 4.31Å; I119-V151 HydrophobicContact CG2-CG1 4.47Å; I119-V151 WeakPolarHBondContact O-CA 3.39Å; A121-V151 HydrophobicContact CB-CG1 3.76Å; P132-V151 HydrophobicContact CB-CB 4.49Å; P132-V151 HydrophobicContact CB-CG1 3.91Å; I135-V151 HydrophobicContact CB-CG1 4.38Å; I135-V151 HydrophobicContact CG2-CG1 4.06Å; Q136-V151 HydrophobicContact CB-CG2 4.37Å; L141-V151 HydrophobicContact CD1-CG2 3.3Å; W149-V151 HydrophobicContact CZ3-CG2 4.42Å
152Q98.9Very high96.9Very high16 Ų1658.7 Ų58.78%0.07529%0.286CS..EExtended strand (participates in β ladder)trans-102.1115.5176.117759.960.300109.1L118 I119 F120 A121 Y150 S154 G161L118-Q152 HydrophobicContact CD1-CB 3.9Å; I119-Q152 PolarHBondContact O-N 2.83Å; F120-Q152 HydrophobicContact CD1-CB 3.99Å; F120-Q152 HydrophobicContact CD1-CG 3.96Å; F120-Q152 HydrophobicContact CE1-CB 4.12Å; F120-Q152 HydrophobicContact CE1-CG 3.77Å; A121-Q152 PolarHBondContact N-O 3.45Å; Y150-Q152 HydrophobicContact CD1-CB 4.18Å; Y150-Q152 HydrophobicContact CE1-CB 3.91Å; Q152-S154 PolarHBondContact O-N 3.33Å; Q152-G161 WeakPolarHBondContact CG-O 3.28Å
153P98.8Very high97.1Very high49 Ų4959 Ų5932%0.31828%0.279SS..EExtended strand (participates in β ladder)trans-59.1136.2167.323.8-31.5000109.7Q124 P132 G161Q124-P153 HydrophobicContact CG-CB 3.98Å; P132-P153 HydrophobicContact CG-CB 3.72Å; P132-P153 HydrophobicContact CG-CG 3.93Å; P153-G161 WeakPolarHBondContact O-CA 3.32Å
154S98.9Very high97.3Very high3 Ų354.6 Ų54.62%0.02127%0.267CS..  trans-146.6159.7179.768.70000114.6A121 N122 K123 Q124 Q152 D160A121-S154 PolarHBondContact O-N 3.36Å; N122-S154 CarbonylContact C-O 3.59Å; N122-S154 WeakPolarHBondContact CA-O 3.37Å; N122-S154 WeakPolarHBondContact CA-OG 3.48Å; N122-S154 PolarHBondContact OD1-O 3.22Å; N122-S154 PolarHBondContact OD1-OG 3.01Å; K123-S154 PolarHBondContact N-O 3.38Å; K123-S154 VanDerWaalsContact N-O 3.07Å; Q124-S154 PolarHBondContact N-O 2.89Å; Q152-S154 PolarHBondContact O-N 3.33Å; S154-D160 CarbonylContact C-O 3.52Å; S154-D160 WeakPolarHBondContact CA-O 3.23Å; S154-D160 WeakPolarHBondContact CB-O 3.29Å
155C98.7Very high97.4Very high6 Ų654 Ų544%0.04126%0.264CS..  trans-131.3110.8164.7177.50000109D125 T157 S158 G159 D160D125-C155 PolarHBondContact OD1-SG 3.49Å; C155-T157 VanDerWaalsContact C-N 3.27Å; C155-T157 PolarHBondContact O-N 2.82Å; C155-T157 PolarHBondContact SG-OG1 3.24Å; C155-S158 VanDerWaalsContact CB-OG 3.3Å; C155-S158 WeakPolarHBondContact CB-OG 3.31Å; C155-S158 PolarHBondContact O-OG 3.21Å; C155-S158 PolarHBondContact SG-OG 3.46Å; C155-G159 CarbonylContact O-C 3.47Å; C155-G159 WeakPolarHBondContact O-CA 3.47Å; C155-G159 PolarHBondContact O-N 2.93Å; C155-D160 HydrophobicContact CB-CB 4.34Å; C155-D160 PolarHBondContact N-O 3.33Å; C155-D160 PolarHBondContact O-N 3.38Å
156A98.6Very high97.7Very high6 Ų643.3 Ų43.35%0.0522%0.224CC..THydrogen-bonded Turntrans-61.5-32.8-175.100000113.7T28 I29 K32 N122T28-A156 HydrophobicContact CG2-CB 3.77Å; I29-A156 HydrophobicContact CD1-CB 4.44Å; I29-A156 HydrophobicContact CG1-CB 3.48Å; I29-A156 VanDerWaalsContact CG1-CB 3.48Å; K32-A156 WeakPolarHBondContact CB-O 3.43Å; K32-A156 VanDerWaalsContact CG-O 3.31Å; K32-A156 WeakPolarHBondContact CG-O 3.45Å; N122-A156 PolarHBondContact OD1-N 3.17Å
157T97.3Very high97.9Very high73 Ų7340.4 Ų40.445%0.44821%0.21SC..THydrogen-bonded Turntrans-78.5-45.9-175.351.50000111.6T28 K32 C155T28-T157 HydrophobicContact CG2-CG2 4.3Å; K32-T157 PolarHBondContact NZ-O 3.19Å; C155-T157 VanDerWaalsContact C-N 3.27Å; C155-T157 PolarHBondContact O-N 2.82Å; C155-T157 PolarHBondContact SG-OG1 3.24Å
158S97.5Very high98.3Very high54 Ų5440.6 Ų40.638%0.37821%0.21SC..THydrogen-bonded Turntrans-73.7-36175.669.10000111.9K32 C155 D160K32-S158 VanDerWaalsContact CE-C 3.47Å; K32-S158 WeakPolarHBondContact CE-O 3.42Å; K32-S158 PolarHBondContact NZ-O 2.95Å; C155-S158 VanDerWaalsContact CB-OG 3.3Å; C155-S158 WeakPolarHBondContact CB-OG 3.31Å; C155-S158 PolarHBondContact O-OG 3.21Å; C155-S158 PolarHBondContact SG-OG 3.46Å; S158-D160 WeakPolarHBondContact CB-OD2 3.45Å; S158-D160 PolarHBondContact OG-N 2.9Å; S158-D160 PolarHBondContact OG-OD2 3.37Å
159G98.2Very high98.3Very high9 Ų936.9 Ų36.99%0.09319%0.191CC..  trans98.9-0.9-173.400000113.9C155 G161 L162C155-G159 CarbonylContact O-C 3.47Å; C155-G159 WeakPolarHBondContact O-CA 3.47Å; C155-G159 PolarHBondContact O-N 2.93Å; G159-G161 PolarHBondContact O-N 2.92Å; G159-L162 WeakPolarHBondContact O-CG 3.32Å; G159-L162 PolarHBondContact O-N 2.95Å
160D98.6Very high98.1Very high106 Ų10635.4 Ų35.457%0.56719%0.189SC*.THydrogen-bonded Turntrans-59.4134.7-177.6-60.7-34.7000110.9S154 C155 S158 L162S154-D160 CarbonylContact C-O 3.52Å; S154-D160 WeakPolarHBondContact CA-O 3.23Å; S154-D160 WeakPolarHBondContact CB-O 3.29Å; C155-D160 HydrophobicContact CB-CB 4.34Å; C155-D160 PolarHBondContact N-O 3.33Å; C155-D160 PolarHBondContact O-N 3.38Å; S158-D160 WeakPolarHBondContact CB-OD2 3.45Å; S158-D160 PolarHBondContact OG-N 2.9Å; S158-D160 PolarHBondContact OG-OD2 3.37Å; D160-L162 PolarHBondContact O-N 3.09Å; D160-L162 VanDerWaalsContact O-N 3.16Å
161G98.7Very high98Very high9 Ų935.3 Ų35.39%0.09320%0.201CC..THydrogen-bonded Turntrans76.5-12177.400000115.4Q152 P153 G159 E164 G165Q152-G161 WeakPolarHBondContact CG-O 3.28Å; P153-G161 WeakPolarHBondContact O-CA 3.32Å; G159-G161 PolarHBondContact O-N 2.92Å; G161-E164 WeakPolarHBondContact CA-OE2 3.27Å; G161-E164 PolarHBondContact N-OE2 3Å; G161-G165 PolarHBondContact O-N 2.86Å
162L98.8Very high97.8Very high1 Ų137.6 Ų37.61%0.00521%0.213CC..Hα-helixtrans-68-44.3-173.9-59.5-173.8000112.1I29 K32 L33 F120 G159 D160 G165 L166I29-L162 HydrophobicContact CB-CD2 4.47Å; I29-L162 HydrophobicContact CD1-CD2 4.17Å; I29-L162 HydrophobicContact CG1-CD2 3.91Å; I29-L162 HydrophobicContact CG2-CD1 4.29Å; I29-L162 HydrophobicContact CG2-CD2 3.95Å; K32-L162 HydrophobicContact CB-CD1 4.02Å; K32-L162 HydrophobicContact CG-CD1 3.78Å; L33-L162 HydrophobicContact CD2-CB 3.8Å; L33-L162 HydrophobicContact CD2-CD1 4.47Å; L33-L162 HydrophobicContact CG-CB 4.31Å; L33-L162 HydrophobicContact CG-CD1 4.25Å; F120-L162 HydrophobicContact CD1-CD2 4.25Å; F120-L162 HydrophobicContact CE1-CD2 3.95Å; F120-L162 HydrophobicContact CE2-CD2 4.4Å; F120-L162 HydrophobicContact CZ-CD2 4.04Å; G159-L162 WeakPolarHBondContact O-CG 3.32Å; G159-L162 PolarHBondContact O-N 2.95Å; D160-L162 PolarHBondContact O-N 3.09Å; D160-L162 VanDerWaalsContact O-N 3.16Å; L162-G165 PolarHBondContact O-N 3.26Å; L162-L166 PolarHBondContact O-N 3.05Å; L162-L166 VanDerWaalsContact O-N 3.14Å
163Y98.4Very high97.3Very high93 Ų9338.4 Ų38.437%0.36522%0.215SC..Hα-helixtrans-74.8-29-179.4-65.2-67.7000112.7L33 Y54 L166 T167L33-Y163 HydrophobicContact CD2-CD1 4Å; L33-Y163 HydrophobicContact CD2-CE1 3.8Å; Y54-Y163 AromaticContact CD2-CD1 3.49Å; Y54-Y163 HydrophobicContact CD2-CD1 3.49Å; Y54-Y163 VanDerWaalsContact CD2-CD1 3.49Å; Y54-Y163 HydrophobicContact CD2-CE1 4.05Å; Y54-Y163 HydrophobicContact CD2-CG 4.49Å; Y54-Y163 AromaticContact CE2-CD1 3.46Å; Y54-Y163 HydrophobicContact CE2-CD1 3.46Å; Y54-Y163 VanDerWaalsContact CE2-CD1 3.46Å; Y54-Y163 HydrophobicContact CE2-CE1 4.33Å; Y54-Y163 HydrophobicContact CE2-CG 4.04Å; Y54-Y163 HydrophobicContact CG-CD1 4.46Å; Y54-Y163 PolarHBondContact OH-O 3.3Å; Y163-L166 PolarHBondContact O-N 2.64Å; Y163-T167 WeakPolarHBondContact O-CB 3.21Å; Y163-T167 PolarHBondContact O-N 3.42Å; Y163-T167 PolarHBondContact O-OG1 3.02Å; Y163-T167 VanDerWaalsContact O-OG1 3.1Å
164E98.7Very high96.3Very high106 Ų10644.3 Ų44.350%0.49524%0.236SC..Hα-helixtrans-63.6-44.2170.7-66.377.8-177.400110.2G161 L166 T167 W168G161-E164 WeakPolarHBondContact CA-OE2 3.27Å; G161-E164 PolarHBondContact N-OE2 3Å; E164-L166 PolarHBondContact O-N 3.24Å; E164-T167 WeakPolarHBondContact O-CB 3.42Å; E164-T167 PolarHBondContact O-N 2.79Å; E164-W168 PolarHBondContact O-N 3.11Å
165G98.8Very high94.6Very high0 Ų051.3 Ų51.30%029%0.285CS..Hα-helixtrans-59-45.4172.900000112.7G161 L162 T167 W168 L169G161-G165 PolarHBondContact O-N 2.86Å; L162-G165 PolarHBondContact O-N 3.26Å; G165-T167 VanDerWaalsContact C-N 3.34Å; G165-T167 PolarHBondContact O-N 3.23Å; G165-W168 PolarHBondContact O-N 3.07Å; G165-L169 PolarHBondContact O-N 2.68Å
166L98.5Very high94.4Very high4 Ų453.6 Ų53.62%0.02130%0.297CS..Hα-helixtrans-65.2-37174.7-63.6-170.7000112.4L33 V52 Y54 F59 L162 Y163 E164 W168 L169 T170L33-L166 HydrophobicContact CD1-CD1 4.17Å; L33-L166 HydrophobicContact CD1-CD2 4.5Å; L33-L166 HydrophobicContact CD2-CD1 3.74Å; L33-L166 HydrophobicContact CD2-CG 4.4Å; V52-L166 HydrophobicContact CG1-CD1 4.27Å; Y54-L166 HydrophobicContact CD1-CB 3.73Å; Y54-L166 HydrophobicContact CD1-CD1 4.36Å; Y54-L166 HydrophobicContact CE1-CB 4.07Å; Y54-L166 HydrophobicContact CG-CB 4.22Å; Y54-L166 HydrophobicContact CG-CD1 4.02Å; F59-L166 HydrophobicContact CE1-CD2 4.44Å; F59-L166 HydrophobicContact CE2-CB 4.45Å; F59-L166 HydrophobicContact CE2-CD1 4.34Å; F59-L166 HydrophobicContact CE2-CD2 4.43Å; F59-L166 HydrophobicContact CZ-CB 4.35Å; F59-L166 HydrophobicContact CZ-CD2 4.28Å; L162-L166 PolarHBondContact O-N 3.05Å; L162-L166 VanDerWaalsContact O-N 3.14Å; Y163-L166 PolarHBondContact O-N 2.64Å; E164-L166 PolarHBondContact O-N 3.24Å; L166-W168 VanDerWaalsContact C-N 3.34Å; L166-L169 HydrophobicContact CD2-CD1 4.18Å; L166-L169 PolarHBondContact O-N 2.81Å; L166-T170 WeakPolarHBondContact O-CG2 3.35Å; L166-T170 PolarHBondContact O-N 2.99Å; L166-T170 PolarHBondContact O-OG1 3.45Å
167T97.8Very high94.2Very high41 Ų4156.1 Ų56.125%0.25231%0.31SS..Hα-helixtrans-61.3-44.2173.2-70.90000111.1Y54 K55 Y163 E164 G165 L169 T170 S171Y54-T167 WeakPolarHBondContact CE1-OG1 3.48Å; Y54-T167 PolarHBondContact OH-OG1 3.26Å; K55-T167 PolarHBondContact NZ-OG1 3.47Å; K55-T167 VanDerWaalsContact NZ-OG1 3.17Å; Y163-T167 WeakPolarHBondContact O-CB 3.21Å; Y163-T167 PolarHBondContact O-N 3.42Å; Y163-T167 PolarHBondContact O-OG1 3.02Å; Y163-T167 VanDerWaalsContact O-OG1 3.1Å; E164-T167 WeakPolarHBondContact O-CB 3.42Å; E164-T167 PolarHBondContact O-N 2.79Å; G165-T167 VanDerWaalsContact C-N 3.34Å; G165-T167 PolarHBondContact O-N 3.23Å; T167-L169 PolarHBondContact O-N 2.75Å; T167-T170 PolarHBondContact O-N 2.79Å; T167-T170 PolarHBondContact O-OG1 3.01Å; T167-S171 WeakPolarHBondContact O-CB 3.37Å; T167-S171 PolarHBondContact O-N 3.4Å; T167-S171 PolarHBondContact O-OG 3.46Å
168W98.2Very high94Very high37 Ų3755.1 Ų55.114%0.1430%0.303CS..Hα-helixtrans-60.4-46.3175.9-179.589.3000111.5I116 I117 L118 N148 Y150 E164 G165 L166 T170 S171 N172I116-W168 HydrophobicContact CD1-CE3 4.45Å; I116-W168 HydrophobicContact CD1-CH2 3.51Å; I116-W168 HydrophobicContact CD1-CZ2 4.12Å; I116-W168 HydrophobicContact CD1-CZ3 3.7Å; I116-W168 HydrophobicContact CG1-CH2 3.44Å; I116-W168 VanDerWaalsContact CG1-CH2 3.44Å; I116-W168 HydrophobicContact CG1-CZ2 4.42Å; I116-W168 HydrophobicContact CG1-CZ3 3.68Å; I117-W168 VanDerWaalsContact O-CH2 3.29Å; I117-W168 WeakPolarHBondContact O-CH2 3.27Å; I117-W168 WeakPolarHBondContact O-CZ3 3.36Å; L118-W168 HydrophobicContact CB-CE3 4.22Å; L118-W168 HydrophobicContact CB-CZ3 4.02Å; L118-W168 HydrophobicContact CD1-CE3 3.94Å; L118-W168 HydrophobicContact CD1-CZ3 4.4Å; N148-W168 HydrophobicContact CB-CH2 4.45Å; N148-W168 HydrophobicContact CB-CZ2 4.36Å; Y150-W168 VanDerWaalsContact CB-CD2 3.47Å; Y150-W168 HydrophobicContact CD1-CB 4.02Å; Y150-W168 AromaticContact CD1-CD1 3.71Å; Y150-W168 AromaticContact CD1-CD2 3.88Å; Y150-W168 HydrophobicContact CD1-CD2 3.88Å; Y150-W168 HydrophobicContact CD1-CE3 4.47Å; Y150-W168 AromaticContact CD1-CG 3.59Å; Y150-W168 HydrophobicContact CD1-CG 3.59Å; Y150-W168 HydrophobicContact CE1-CB 4.39Å; Y150-W168 HydrophobicContact CE1-CG 4.27Å; Y150-W168 AromaticContact CG-CD1 3.73Å; Y150-W168 AromaticContact CG-CD2 3.94Å; Y150-W168 HydrophobicContact CG-CD2 3.94Å; Y150-W168 AromaticContact CG-CE2 3.82Å; Y150-W168 AromaticContact CG-CG 3.94Å; Y150-W168 HydrophobicContact CG-CG 3.94Å; Y150-W168 HydrophobicContact CG-CZ2 4.41Å; Y150-W168 AromaticContact CG-NE1 3.66Å; E164-W168 PolarHBondContact O-N 3.11Å; G165-W168 PolarHBondContact O-N 3.07Å; L166-W168 VanDerWaalsContact C-N 3.34Å; W168-T170 PolarHBondContact O-N 3.04Å; W168-S171 PolarHBondContact O-N 3.11Å; W168-N172 HydrophobicContact CD2-CB 4.44Å; W168-N172 HydrophobicContact CZ2-CB 4.16Å; W168-N172 PolarHBondContact NE1-ND2 2.69Å; W168-N172 WeakPolarHBondContact O-CB 3.45Å; W168-N172 PolarHBondContact O-N 2.99Å; W168-N172 PolarHBondContact O-ND2 3.36Å
169L96.8Very high93.8Very high0 Ų055.2 Ų55.20%030%0.298CS..Hα-helixtrans-56.9-51.5176.3-79.4171000111.9M14 I16 F59 I85 I116 L118 G165 L166 T167 S171 N172 Y173M14-L169 HydrophobicContact CE-CD2 4.36Å; I16-L169 HydrophobicContact CD1-CD1 4.33Å; F59-L169 HydrophobicContact CE1-CB 4.35Å; F59-L169 HydrophobicContact CE1-CD1 4.44Å; I85-L169 HydrophobicContact CD1-CD1 3.92Å; I85-L169 HydrophobicContact CG1-CD1 4.03Å; I116-L169 HydrophobicContact CG2-CD2 3.67Å; L118-L169 HydrophobicContact CB-CD1 4.21Å; L118-L169 HydrophobicContact CB-CD2 3.93Å; L118-L169 HydrophobicContact CB-CG 4.03Å; L118-L169 HydrophobicContact CD2-CD1 3.68Å; L118-L169 HydrophobicContact CD2-CG 3.95Å; G165-L169 PolarHBondContact O-N 2.68Å; L166-L169 HydrophobicContact CD2-CD1 4.18Å; L166-L169 PolarHBondContact O-N 2.81Å; T167-L169 PolarHBondContact O-N 2.75Å; L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 3.08Å; L169-N172 PolarHBondContact O-N 3.18Å; L169-Y173 WeakPolarHBondContact O-CB 3.37Å; L169-Y173 PolarHBondContact O-N 2.73Å
170T93.6Very high93.5Very high32 Ų3258.1 Ų58.120%0.19631%0.311CS..Hα-helixtrans-61-35.4-179.754.70000113.2V57 F59 L166 T167 W168V57-T170 HydrophobicContact CB-CG2 4.06Å; V57-T170 HydrophobicContact CG1-CG2 4.31Å; V57-T170 HydrophobicContact CG2-CG2 3.64Å; F59-T170 HydrophobicContact CE1-CG2 4.45Å; F59-T170 HydrophobicContact CE2-CG2 4.16Å; F59-T170 HydrophobicContact CZ-CG2 3.51Å; L166-T170 WeakPolarHBondContact O-CG2 3.35Å; L166-T170 PolarHBondContact O-N 2.99Å; L166-T170 PolarHBondContact O-OG1 3.45Å; T167-T170 PolarHBondContact O-N 2.79Å; T167-T170 PolarHBondContact O-OG1 3.01Å; W168-T170 PolarHBondContact O-N 3.04Å
171S94.6Very high93.2Very high87 Ų8754.9 Ų54.961%0.60829%0.294SS*.Hα-helixtrans-81.5-25-175.7-52.90000112.9T167 W168 L169T167-S171 WeakPolarHBondContact O-CB 3.37Å; T167-S171 PolarHBondContact O-N 3.4Å; T167-S171 PolarHBondContact O-OG 3.46Å; W168-S171 PolarHBondContact O-N 3.11Å; L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 3.08Å
172N95.1Very high92.8Very high57 Ų5758.1 Ų58.131%0.30531%0.308SS..Hα-helixtrans-111.5-11.1-173.5-67.7-86000113.8I116 W168 L169 K174I116-N172 VanDerWaalsContact CD1-C 3.5Å; I116-N172 HydrophobicContact CD1-CB 3.6Å; I116-N172 WeakPolarHBondContact CD1-O 3.48Å; W168-N172 HydrophobicContact CD2-CB 4.44Å; W168-N172 HydrophobicContact CZ2-CB 4.16Å; W168-N172 PolarHBondContact NE1-ND2 2.69Å; W168-N172 WeakPolarHBondContact O-CB 3.45Å; W168-N172 PolarHBondContact O-N 2.99Å; W168-N172 PolarHBondContact O-ND2 3.36Å; L169-N172 PolarHBondContact O-N 3.18Å; N172-K174 PolarHBondContact O-N 2.61Å
173Y89.3Confident92.3Very high33 Ų3362.5 Ų62.513%0.12933%0.332CS..  trans-73.7107.5173.6179.5-116.3000110.9M14 Q82 I116 L169M14-Y173 HydrophobicContact CE-CD1 4.08Å; M14-Y173 HydrophobicContact CE-CD2 3.64Å; M14-Y173 HydrophobicContact CE-CE2 4.26Å; M14-Y173 HydrophobicContact CE-CG 3.56Å; M14-Y173 HydrophobicContact SD-CD1 4.03Å; M14-Y173 HydrophobicContact SD-CG 4.03Å; Q82-Y173 HydrophobicContact CB-CE2 3.88Å; Q82-Y173 HydrophobicContact CG-CE2 4.49Å; Q82-Y173 WeakPolarHBondContact CG-OH 3.47Å; Q82-Y173 PolarHBondContact NE2-OH 2.8Å; I116-Y173 HydrophobicContact CG2-CD2 4Å; L169-Y173 WeakPolarHBondContact O-CB 3.37Å; L169-Y173 PolarHBondContact O-N 2.73Å
174K78.1Confident91.8Very high174 Ų17460 Ų6076%0.75733%0.329SS*.  trans-85121.2170.8-63-179.7-178.8178.90108.2N172N172-K174 PolarHBondContact O-N 2.61Å
175S62.5Low91.2Very high149 Ų14955.8 Ų55.8100%1.04231%0.314SS*.  trans-74.30173.1-174.60000111.4

Retrieved 175 of 175 residues in 617.6 ms (Link to these results)

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