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ADP-ribosylation factor 6

GTP-binding protein involved in protein trafficking that regulates endocytic recycling and cytoskeleton remodeling1. Required for normal completion of mitotic cytokinesis. Involved in the regulation of dendritic spine development, contributing to the regulation of dendritic branching and filopodia extension. Plays an important role in membrane trafficking, during junctional remodeling and epithelial polarization. Regulates surface levels of adherens junction proteins such as CDH12,3. Required for NTRK1 sorting to the recycling pathway from early endosomes (By similarity).

AlphaFold DB , UniProt , Accession P62331, Species MOUSE (Mus musculus, Mouse), 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 1282 ms (Link to these results)

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