Q6P2U5_DANRE Loading...

ADP-ribosylation factor 6

AlphaFold DB , UniProt , Accession Q6P2U5, Species DANRE (Danio rerio, Zebrafish), Gene arf6b, 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
1M48.3Very low54.9Low211 Ų211128 Ų128100%1.03968%0.68SS**  0-53.30-76.3-73.2-117.200113.4K3 M4M1-K3 PolarHBondContact O-N 3.36Å; M1-M4 PolarHBondContact O-N 3.5Å
2G54.4Low57.7Low60 Ų60123.8 Ų123.862%0.61965%0.652SS**Hα-helixtrans-63-34.9-172.700000117.5M4 S6G2-M4 VanDerWaalsContact C-N 3.33Å; G2-M4 PolarHBondContact O-N 3.42Å; G2-S6 PolarHBondContact O-N 3.27Å
3K52.4Low60.4Low189 Ų189122.2 Ų122.282%0.82264%0.639SS**Hα-helixtrans-75.1-16.9-179-72.3-174.4176.1179.30114.6M1 S6M1-K3 PolarHBondContact O-N 3.36Å; K3-S6 PolarHBondContact O-OG 3.5Å
4M54.5Low63Low153 Ų153113.6 Ų113.675%0.75459%0.594SS**Hα-helixtrans-87-33179.7-149.1177.7-164.200111.3M1 G2 K7M1-M4 PolarHBondContact O-N 3.5Å; G2-M4 VanDerWaalsContact C-N 3.33Å; G2-M4 PolarHBondContact O-N 3.42Å; M4-K7 PolarHBondContact O-N 3.36Å
5L53.2Low65.3Low104 Ų104109.1 Ų109.155%0.54557%0.566SS.*Hα-helixtrans-68.9-36.5174.4-71.7169.8000112.1K7 I8 F9L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.16Å; L5-I8 PolarHBondContact O-N 3.09Å; L5-F9 WeakPolarHBondContact O-CD2 3.48Å; L5-F9 PolarHBondContact O-N 3.03Å; L5-F9 VanDerWaalsContact O-N 3.09Å
6S50.4Low67.4Low75 Ų75102.3 Ų102.352%0.52453%0.53SS..Hα-helixtrans-67.2-29.2178.465.10000113.5G2 K3 I8 G10G2-S6 PolarHBondContact O-N 3.27Å; K3-S6 PolarHBondContact O-OG 3.5Å; S6-I8 PolarHBondContact O-N 3.42Å; S6-G10 PolarHBondContact O-N 3.36Å; S6-G10 VanDerWaalsContact O-N 3.16Å
7K49.7Very low69.2Low190 Ų19096.2 Ų96.283%0.82650%0.499SS*.Hα-helixtrans-68.9-21.7171.5-89.8-170.3174.3-174.80113.3M4 L5M4-K7 PolarHBondContact O-N 3.36Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.16Å
8I55Low70.9Confident129 Ų12990.9 Ų90.966%0.66247%0.472SS*.Hα-helixtrans-93.9-20.8-180-62.9176.4000111.7L5 S6L5-I8 PolarHBondContact O-N 3.09Å; S6-I8 PolarHBondContact O-N 3.42Å
9F56.9Low72.4Confident164 Ų16486.2 Ų86.272%0.71945%0.447SS*.Hα-helixtrans-109.94.2-179.3-79.6-86.5000115.2L5 N11L5-F9 WeakPolarHBondContact O-CD2 3.48Å; L5-F9 PolarHBondContact O-N 3.03Å; L5-F9 VanDerWaalsContact O-N 3.09Å; F9-N11 PolarHBondContact O-N 3.18Å
10G59.5Low73.7Confident53 Ų5381.9 Ų81.955%0.54642%0.424SS..PPolyproline II helixtrans-59.7125.3173.400000110.4S6 K12S6-G10 PolarHBondContact O-N 3.36Å; S6-G10 VanDerWaalsContact O-N 3.16Å; G10-K12 PolarHBondContact O-N 3.21Å
11N69.5Low74.9Confident80 Ų8078.5 Ų78.543%0.42841%0.407SS..PPolyproline II helixtrans-55.2126.6166.9-73.7-45.4000107.9F9 E13 N56 K58F9-N11 PolarHBondContact O-N 3.18Å; N11-E13 PolarHBondContact O-N 3.42Å; N11-N56 WeakPolarHBondContact CA-O 3.46Å; N11-K58 HydrophobicContact CB-CD 4.36Å; N11-K58 HydrophobicContact CB-CG 4.24Å
12K88.3Confident77.2Confident77 Ų7770.6 Ų70.634%0.33537%0.369SS..EExtended strand (participates in β ladder)trans-63.9127.5174-175.9177.4-179.7-179.50106.9G10 N56 V57 K58 Y173G10-K12 PolarHBondContact O-N 3.21Å; K12-N56 PolarHBondContact N-O 3.16Å; K12-N56 VanDerWaalsContact N-O 3.16Å; K12-V57 HydrophobicContact CB-CG1 4.48Å; K12-V57 HydrophobicContact CB-CG2 4.22Å; K12-V57 CarbonylContact O-C 3.57Å; K12-V57 VanDerWaalsContact O-CA 3.25Å; K12-V57 WeakPolarHBondContact O-CA 3.12Å; K12-V57 WeakPolarHBondContact O-CG1 3.37Å; K12-K58 PolarHBondContact O-N 2.96Å; K12-Y173 PolarHBondContact NZ-O 3.17Å
13E93.8Very high79.3Confident104 Ų10470.9 Ų70.949%0.48637%0.366SS..EExtended strand (participates in β ladder)trans-101.2139.5173.9-56.7-158.616500109.6N11 K58 N60N11-E13 PolarHBondContact O-N 3.42Å; E13-K58 CarbonylContact C-O 3.54Å; E13-K58 VanDerWaalsContact CA-O 3.32Å; E13-K58 WeakPolarHBondContact CA-O 3.34Å; E13-K58 HydrophobicContact CG-CB 4.24Å; E13-N60 PolarHBondContact OE2-ND2 3.31Å
14M96.1Very high81.5Confident2 Ų262 Ų621%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-133.4120.4178.8-168.7174.7179.200110I16 V57 K58 F59 N60 Q82 I116 L169 Y173M14-I16 HydrophobicContact CE-CD1 3.65Å; M14-I16 HydrophobicContact CG-CD1 3.8Å; M14-I16 HydrophobicContact CG-CG1 4.38Å; M14-I16 PolarHBondContact O-N 3.42Å; M14-I16 HydrophobicContact SD-CD1 3.82Å; M14-V57 HydrophobicContact CB-CG1 4.38Å; M14-K58 PolarHBondContact N-O 3.24Å; M14-F59 HydrophobicContact CB-CD1 4.08Å; M14-F59 HydrophobicContact CB-CE1 4.39Å; M14-F59 HydrophobicContact CG-CD1 4.49Å; M14-F59 CarbonylContact O-C 3.52Å; M14-F59 WeakPolarHBondContact O-CA 3.08Å; M14-F59 HydrophobicContact SD-CD1 4.28Å; M14-F59 HydrophobicContact SD-CE1 3.88Å; M14-N60 PolarHBondContact O-N 2.97Å; M14-Q82 HydrophobicContact CE-CB 4.3Å; M14-Q82 HydrophobicContact CG-CB 4.06Å; M14-I116 HydrophobicContact CE-CG2 3.61Å; M14-L169 HydrophobicContact CE-CD2 4.3Å; M14-Y173 HydrophobicContact CE-CD1 4.05Å; M14-Y173 HydrophobicContact CE-CD2 3.66Å; M14-Y173 HydrophobicContact CE-CE2 4.32Å; M14-Y173 HydrophobicContact CE-CG 3.54Å; M14-Y173 HydrophobicContact CG-CD1 4.47Å; M14-Y173 HydrophobicContact SD-CD1 4.02Å; M14-Y173 HydrophobicContact SD-CG 4.03Å
15R97.8Very high83.6Confident45 Ų4555.3 Ų55.317%0.1730%0.298CS..EExtended strand (participates in β ladder)trans-79.1115.3173-176.3169.4-178.9-77.5-2.7109.5Y77 T79 G80 T81 Q82 G83R15-Y77 PolarHBondContact NH1-O 3.44Å; R15-Y77 PolarHBondContact NH2-O 3.1Å; R15-T79 VanDerWaalsContact CZ-O 3.31Å; R15-T79 PolarHBondContact NH1-O 2.97Å; R15-G80 WeakPolarHBondContact CD-O 3.47Å; R15-T81 VanDerWaalsContact NH1-CA 3.26Å; R15-T81 PolarHBondContact NH1-OG1 3.31Å; R15-Q82 PolarHBondContact O-N 3.28Å; R15-G83 PolarHBondContact O-N 2.78Å
16I98.7Very high85.7Confident0 Ų050.9 Ų50.90%027%0.274CS..EExtended strand (participates in β ladder)trans-110.6133.4179.1-61.3-59.4000109.4M14 F59 N60 V61 W62 G83 I85 L169M14-I16 HydrophobicContact CE-CD1 3.65Å; M14-I16 HydrophobicContact CG-CD1 3.8Å; M14-I16 HydrophobicContact CG-CG1 4.38Å; M14-I16 PolarHBondContact O-N 3.42Å; M14-I16 HydrophobicContact SD-CD1 3.82Å; I16-F59 HydrophobicContact CD1-CD1 4.12Å; I16-F59 HydrophobicContact CG1-CB 4.29Å; I16-F59 HydrophobicContact CG1-CD1 3.66Å; I16-F59 HydrophobicContact CG1-CG 4.47Å; I16-N60 PolarHBondContact N-O 3.34Å; I16-V61 HydrophobicContact CB-CG2 4.21Å; I16-V61 HydrophobicContact CG2-CG1 4.32Å; I16-V61 WeakPolarHBondContact O-CA 3.46Å; I16-W62 PolarHBondContact O-N 2.93Å; I16-G83 VanDerWaalsContact CA-O 3.32Å; I16-G83 WeakPolarHBondContact CA-O 3.04Å; I16-I85 HydrophobicContact CG2-CB 4.23Å; I16-I85 HydrophobicContact CG2-CD1 3.63Å; I16-I85 HydrophobicContact CG2-CG1 3.63Å; I16-L169 HydrophobicContact CD1-CD1 4.3Å
17L98.8Very high88Confident0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-104.5122.8166.8-174.258.8000108.6L19 W62 V64 Y77 Y78 T81 G83 L84 I85 M112L17-L19 HydrophobicContact CD1-CD2 4.13Å; L17-L19 HydrophobicContact CD1-CG 4.45Å; L17-L19 HydrophobicContact CD2-CD1 3.77Å; L17-L19 HydrophobicContact CD2-CD2 4.45Å; L17-L19 HydrophobicContact CD2-CG 4.18Å; L17-L19 HydrophobicContact CG-CD1 4.03Å; L17-L19 HydrophobicContact CG-CD2 4.08Å; L17-L19 HydrophobicContact CG-CG 3.86Å; L17-W62 HydrophobicContact CD1-CB 3.73Å; L17-V64 HydrophobicContact CD1-CG2 3.81Å; L17-Y77 HydrophobicContact CD1-CG 4.42Å; L17-Y78 HydrophobicContact CD2-CD1 3.57Å; L17-Y78 HydrophobicContact CD2-CE1 4.02Å; L17-T81 HydrophobicContact CB-CG2 3.59Å; L17-G83 PolarHBondContact N-O 3.38Å; L17-L84 WeakPolarHBondContact O-CA 3.41Å; L17-I85 PolarHBondContact O-N 2.97Å; L17-M112 HydrophobicContact CD2-SD 4.44Å
18M98.9Very high90.3Very high1 Ų140.2 Ų40.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-106.3111.3179.4-171.2179.5-67.800110.2K26 I29 V61 W62 V64 I85 V87M18-K26 HydrophobicContact CG-CB 4.14Å; M18-K26 HydrophobicContact CG-CD 4.33Å; M18-K26 HydrophobicContact CG-CG 4.2Å; M18-K26 HydrophobicContact SD-CB 3.83Å; M18-K26 HydrophobicContact SD-CG 4.41Å; M18-I29 HydrophobicContact CE-CG2 3.98Å; M18-I29 HydrophobicContact SD-CG2 4.49Å; M18-V61 HydrophobicContact CB-CG1 4.02Å; M18-V61 HydrophobicContact CE-CG1 3.87Å; M18-W62 PolarHBondContact N-O 3.13Å; M18-V64 PolarHBondContact O-N 2.81Å; M18-I85 CarbonylContact C-O 3.56Å; M18-I85 VanDerWaalsContact CA-O 3.28Å; M18-I85 WeakPolarHBondContact CA-O 3.36Å; M18-I85 HydrophobicContact CB-CB 4.41Å; M18-I85 HydrophobicContact CE-CB 4.42Å; M18-I85 HydrophobicContact CE-CD1 4.04Å; M18-I85 HydrophobicContact CE-CG2 4.12Å; M18-I85 HydrophobicContact CG-CB 4.18Å; M18-I85 HydrophobicContact CG-CG2 4.07Å; M18-V87 HydrophobicContact CG-CG2 4Å; M18-V87 HydrophobicContact SD-CG2 4.23Å
19L98.9Very high92.4Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-126.6174.3-176.8-57.6178.2000111.2L17 K26 V64 W74 Y78 L84 I85 F86 V87 I106L17-L19 HydrophobicContact CD1-CD2 4.13Å; L17-L19 HydrophobicContact CD1-CG 4.45Å; L17-L19 HydrophobicContact CD2-CD1 3.77Å; L17-L19 HydrophobicContact CD2-CD2 4.45Å; L17-L19 HydrophobicContact CD2-CG 4.18Å; L17-L19 HydrophobicContact CG-CD1 4.03Å; L17-L19 HydrophobicContact CG-CD2 4.08Å; L17-L19 HydrophobicContact CG-CG 3.86Å; L19-K26 VanDerWaalsContact C-CD 3.41Å; L19-K26 WeakPolarHBondContact O-CD 3.34Å; L19-V64 HydrophobicContact CD2-CB 3.76Å; L19-V64 HydrophobicContact CD2-CG1 4.49Å; L19-V64 HydrophobicContact CD2-CG2 3.97Å; L19-W74 HydrophobicContact CD1-CB 4.27Å; L19-W74 HydrophobicContact CD1-CD2 4.17Å; L19-W74 HydrophobicContact CD1-CE3 4.11Å; L19-W74 HydrophobicContact CD1-CG 4.31Å; L19-W74 HydrophobicContact CD2-CB 4.29Å; L19-W74 HydrophobicContact CD2-CD2 3.9Å; L19-W74 HydrophobicContact CD2-CG 3.78Å; L19-W74 HydrophobicContact CG-CD2 4.44Å; L19-Y78 HydrophobicContact CD1-CE1 4.01Å; L19-L84 HydrophobicContact CB-CD1 4.17Å; L19-L84 HydrophobicContact CD1-CD1 3.99Å; L19-L84 HydrophobicContact CG-CD1 4.1Å; L19-I85 PolarHBondContact N-O 3.18Å; L19-F86 HydrophobicContact CB-CD2 4.16Å; L19-F86 HydrophobicContact CB-CE2 4.5Å; L19-F86 CarbonylContact O-C 3.47Å; L19-F86 WeakPolarHBondContact O-CA 3.3Å; L19-V87 PolarHBondContact O-N 3.1Å; L19-I106 HydrophobicContact CB-CD1 4.11Å; L19-I106 HydrophobicContact CD1-CD1 3.57Å; L19-I106 HydrophobicContact CD1-CG1 3.93Å; L19-I106 HydrophobicContact CD1-CG2 4.14Å; L19-I106 HydrophobicContact CG-CD1 4.5Å
20G98.8Very high94.4Very high0 Ų026.2 Ų26.20%016%0.156CC..  trans138.7164.2-173.700000110.3K26 G66 W74G20-K26 PolarHBondContact O-NZ 3.48Å; G20-G66 WeakPolarHBondContact O-CA 3.5Å; G20-W74 WeakPolarHBondContact O-CZ2 3.47Å
21L98.8Very high96.2Very high11 Ų1126.5 Ų26.56%0.05814%0.141CC..  trans-60.2162.3-178.9-49.8-173.2000111.6A24 K26 R71 R95 E98 A99 E102L21-A24 VanDerWaalsContact O-CB 3.28Å; L21-A24 WeakPolarHBondContact O-CB 3.4Å; L21-A24 PolarHBondContact O-N 3.41Å; L21-K26 PolarHBondContact O-NZ 2.92Å; L21-R71 VanDerWaalsContact CD2-CZ 3.47Å; L21-R95 HydrophobicContact CD1-CB 3.73Å; L21-E98 HydrophobicContact CD1-CB 4.24Å; L21-E98 HydrophobicContact CD1-CG 4.16Å; L21-E98 HydrophobicContact CD2-CG 4.14Å; L21-A99 HydrophobicContact CD1-CB 3.92Å; L21-A99 HydrophobicContact CG-CB 4.07Å; L21-E102 HydrophobicContact CD2-CB 4.4Å; L21-E102 HydrophobicContact CD2-CG 3.79Å
22D98.1Very high97.6Very high45 Ų4524.2 Ų24.224%0.24113%0.127CC..THydrogen-bonded Turntrans-55.9151168.254.8-76.4000111.4A24 G66 Q67 R71 R95D22-A24 PolarHBondContact O-N 3.13Å; D22-G66 PolarHBondContact N-O 3.24Å; D22-G66 VanDerWaalsContact OD1-O 3.14Å; D22-Q67 HydrophobicContact CB-CG 4.16Å; D22-R71 IonicContact OD1-NH2 2.6Å; D22-R71 PolarHBondContact OD1-NH2 3.47Å; D22-R95 VanDerWaalsContact CG-NH1 3.34Å; D22-R95 PolarHBondContact O-NH2 3.31Å; D22-R95 IonicContact OD1-NH1 3.57Å; D22-R95 PolarHBondContact OD1-NH1 3.36Å; D22-R95 IonicContact OD2-CZ 3.65Å; D22-R95 IonicContact OD2-NH1 3.55Å; D22-R95 PolarHBondContact OD2-NH1 3.03Å; D22-R95 IonicContact OD2-NH2 3.14Å
23A97.4Very high98.1Very high67 Ų6721.3 Ų21.355%0.55412%0.115SC*.THydrogen-bonded Turntrans611.8-175.500000116.7G25 K123A23-G25 PolarHBondContact O-N 2.86Å; A23-G25 VanDerWaalsContact O-N 3.15Å; A23-K123 VanDerWaalsContact O-CE 3.24Å; A23-K123 WeakPolarHBondContact O-CE 3.45Å; A23-K123 PolarHBondContact O-NZ 2.91Å
24A98.5Very high98.2Very high3 Ų320.5 Ų20.53%0.02511%0.11CC..SBendtrans-63.9-18.8177.500000114.7L21 D22 V87 N122L21-A24 VanDerWaalsContact O-CB 3.28Å; L21-A24 WeakPolarHBondContact O-CB 3.4Å; L21-A24 PolarHBondContact O-N 3.41Å; D22-A24 PolarHBondContact O-N 3.13Å; A24-V87 HydrophobicContact CB-CB 4.33Å; A24-V87 HydrophobicContact CB-CG1 4.09Å; A24-V87 WeakPolarHBondContact CB-O 3.46Å; A24-V87 WeakPolarHBondContact O-CG1 3.39Å; A24-N122 PolarHBondContact O-ND2 2.94Å
25G98.4Very high98.2Very high12 Ų1224.7 Ų24.712%0.12413%0.132CC..SBendtrans102.616.2176.500000115.6A23 T28 I29A23-G25 PolarHBondContact O-N 2.86Å; A23-G25 VanDerWaalsContact O-N 3.15Å; G25-T28 WeakPolarHBondContact O-CB 3.31Å; G25-T28 PolarHBondContact O-N 3.15Å; G25-I29 WeakPolarHBondContact O-CG1 3.14Å; G25-I29 PolarHBondContact O-N 2.85Å
26K98.6Very high98.1Very high11 Ų1124.8 Ų24.85%0.04815%0.147CC..Hα-helixtrans-52.7-56.8-179.3-59.8-175.5-62.4-72.70113.3M18 L19 G20 L21 T28 I29 L30 D63 V64 V87M18-K26 HydrophobicContact CG-CB 4.14Å; M18-K26 HydrophobicContact CG-CD 4.33Å; M18-K26 HydrophobicContact CG-CG 4.2Å; M18-K26 HydrophobicContact SD-CB 3.83Å; M18-K26 HydrophobicContact SD-CG 4.41Å; L19-K26 VanDerWaalsContact C-CD 3.41Å; L19-K26 WeakPolarHBondContact O-CD 3.34Å; G20-K26 PolarHBondContact O-NZ 3.48Å; L21-K26 PolarHBondContact O-NZ 2.92Å; K26-T28 VanDerWaalsContact C-N 3.3Å; K26-T28 PolarHBondContact O-N 2.98Å; K26-I29 WeakPolarHBondContact O-CB 3.36Å; K26-I29 PolarHBondContact O-N 3.41Å; K26-I29 VanDerWaalsContact O-N 3.15Å; K26-L30 PolarHBondContact O-N 3.3Å; K26-D63 WeakPolarHBondContact CB-OD1 3.44Å; K26-V64 WeakPolarHBondContact CE-O 3.32Å; K26-V87 HydrophobicContact CB-CG2 4.49Å; K26-V87 HydrophobicContact CG-CB 3.78Å; K26-V87 HydrophobicContact CG-CG1 4.44Å; K26-V87 HydrophobicContact CG-CG2 3.75Å
27T98.2Very high97.7Very high19 Ų1930.6 Ų30.612%0.11717%0.174CC..Hα-helixtrans-64.7-34.4-179.5-46.60000112.1L30 Y31 T41 T44 D63T27-L30 PolarHBondContact O-N 3.47Å; T27-Y31 HydrophobicContact CG2-CD2 3.74Å; T27-Y31 HydrophobicContact CG2-CE2 3.5Å; T27-Y31 WeakPolarHBondContact O-CD2 3.25Å; T27-Y31 PolarHBondContact O-N 3.01Å; T27-T41 HydrophobicContact CG2-CG2 3.62Å; T27-T44 PolarHBondContact OG1-OG1 2.86Å; T27-D63 WeakPolarHBondContact CB-OD2 3.32Å; T27-D63 PolarHBondContact OG1-OD2 3.03Å
28T98.4Very high97.2Very high21 Ų2133.4 Ų33.413%0.12919%0.193CC..Hα-helixtrans-64-44.7173.4-46.50000111.3G25 K26 L30 Y31 K32 A156 T157G25-T28 WeakPolarHBondContact O-CB 3.31Å; G25-T28 PolarHBondContact O-N 3.15Å; K26-T28 VanDerWaalsContact C-N 3.3Å; K26-T28 PolarHBondContact O-N 2.98Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-L30 PolarHBondContact O-N 2.73Å; T28-Y31 PolarHBondContact O-N 3.42Å; T28-K32 VanDerWaalsContact O-CB 3.23Å; T28-K32 WeakPolarHBondContact O-CB 3.33Å; T28-K32 PolarHBondContact O-N 3.36Å; T28-A156 HydrophobicContact CG2-CB 3.75Å; T28-T157 HydrophobicContact CG2-CG2 4.33Å
29I98.8Very high96.7Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-58.7-47.5173.6-70.9173.4000110.1M18 G25 K26 Y31 K32 L33 V87 F120 A156 L162M18-I29 HydrophobicContact CE-CG2 3.98Å; M18-I29 HydrophobicContact SD-CG2 4.49Å; G25-I29 WeakPolarHBondContact O-CG1 3.14Å; G25-I29 PolarHBondContact O-N 2.85Å; K26-I29 WeakPolarHBondContact O-CB 3.36Å; K26-I29 PolarHBondContact O-N 3.41Å; K26-I29 VanDerWaalsContact O-N 3.15Å; I29-Y31 PolarHBondContact O-N 2.87Å; I29-K32 PolarHBondContact O-N 3.06Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.44Å; I29-L33 WeakPolarHBondContact O-CB 3.39Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 3.01Å; I29-V87 HydrophobicContact CD1-CG1 3.67Å; I29-V87 HydrophobicContact CD1-CG2 3.95Å; I29-F120 HydrophobicContact CD1-CB 4.21Å; I29-F120 HydrophobicContact CD1-CD2 3.99Å; I29-F120 HydrophobicContact CD1-CG 4.26Å; I29-F120 HydrophobicContact CG2-CD2 4.44Å; I29-F120 HydrophobicContact CG2-CE2 4.21Å; I29-A156 HydrophobicContact CD1-CB 4.45Å; I29-A156 HydrophobicContact CG1-CB 3.5Å; I29-A156 VanDerWaalsContact CG1-CB 3.5Å; I29-L162 HydrophobicContact CB-CD2 4.47Å; I29-L162 HydrophobicContact CD1-CD2 4.17Å; I29-L162 HydrophobicContact CG1-CD2 3.9Å; I29-L162 HydrophobicContact CG2-CD1 4.3Å; I29-L162 HydrophobicContact CG2-CD2 3.96Å
30L98.4Very high96.2Very high0 Ų042.7 Ų42.70%025%0.251CS..Hα-helixtrans-58.1-51.5-178.8-177.957.1000111.6K26 T27 T28 L33 K34 E50 V52 V61 D63K26-L30 PolarHBondContact O-N 3.3Å; T27-L30 PolarHBondContact O-N 3.47Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-L30 PolarHBondContact O-N 2.73Å; L30-L33 PolarHBondContact O-N 3.49Å; L30-K34 VanDerWaalsContact O-CB 3.25Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 3.1Å; L30-E50 HydrophobicContact CD1-CB 3.97Å; L30-E50 HydrophobicContact CD2-CB 4.04Å; L30-E50 HydrophobicContact CD2-CG 3.91Å; L30-E50 HydrophobicContact CG-CB 4.22Å; L30-E50 HydrophobicContact CG-CG 4.31Å; L30-V52 HydrophobicContact CD1-CG2 3.87Å; L30-V61 HydrophobicContact CD1-CB 3.86Å; L30-V61 HydrophobicContact CD1-CG1 3.89Å; L30-V61 HydrophobicContact CD1-CG2 4.26Å; L30-D63 HydrophobicContact CD2-CB 3.65Å
31Y97.8Very high95.8Very high59 Ų5945.3 Ų45.323%0.23127%0.266CS..Hα-helixtrans-71.7-30.8-179.5-72.2-49.9000113.1T27 T28 I29 K34 L35 T41T27-Y31 HydrophobicContact CG2-CD2 3.74Å; T27-Y31 HydrophobicContact CG2-CE2 3.5Å; T27-Y31 WeakPolarHBondContact O-CD2 3.25Å; T27-Y31 PolarHBondContact O-N 3.01Å; T28-Y31 PolarHBondContact O-N 3.42Å; I29-Y31 PolarHBondContact O-N 2.87Å; Y31-K34 PolarHBondContact O-N 3.38Å; Y31-L35 HydrophobicContact CD1-CD1 3.9Å; Y31-L35 HydrophobicContact CD1-CG 4.4Å; Y31-L35 HydrophobicContact CG-CD1 4.37Å; Y31-L35 WeakPolarHBondContact O-CA 3.12Å; Y31-L35 VanDerWaalsContact O-CB 3.3Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 3.38Å; Y31-T41 HydrophobicContact CD2-CG2 4.4Å
32K98.1Very high95.5Very high32 Ų3251.6 Ų51.614%0.13930%0.299CS..Hα-helixtrans-61.5-45.7171.6-174.969.7179.8-163.70111.4T28 I29 G36 A156 T157 T158 L162T28-K32 VanDerWaalsContact O-CB 3.23Å; T28-K32 WeakPolarHBondContact O-CB 3.33Å; T28-K32 PolarHBondContact O-N 3.36Å; I29-K32 PolarHBondContact O-N 3.06Å; K32-G36 WeakPolarHBondContact O-CA 3.23Å; K32-G36 PolarHBondContact O-N 2.88Å; K32-A156 WeakPolarHBondContact CB-O 3.4Å; K32-A156 VanDerWaalsContact CG-O 3.32Å; K32-A156 WeakPolarHBondContact CG-O 3.23Å; K32-T157 PolarHBondContact NZ-O 2.85Å; K32-T158 VanDerWaalsContact CE-C 3.45Å; K32-T158 WeakPolarHBondContact CE-O 3.39Å; K32-T158 PolarHBondContact NZ-O 3.4Å; K32-L162 HydrophobicContact CB-CD1 4.03Å; K32-L162 HydrophobicContact CG-CD1 3.8Å
33L98.1Very high95.2Very high15 Ų1554.1 Ų54.18%0.07932%0.317CS..Hα-helixtrans-67-36.9176.7-74.8172.2000112.7I29 L30 V52 L162 Y163 L166I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.44Å; I29-L33 WeakPolarHBondContact O-CB 3.39Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 3.01Å; L30-L33 PolarHBondContact O-N 3.49Å; L33-V52 HydrophobicContact CB-CG1 3.93Å; L33-V52 HydrophobicContact CB-CG2 4.15Å; L33-L162 HydrophobicContact CD2-CB 3.81Å; L33-L162 HydrophobicContact CD2-CD1 4.45Å; L33-L162 HydrophobicContact CG-CB 4.34Å; L33-L162 HydrophobicContact CG-CD1 4.26Å; L33-Y163 HydrophobicContact CD2-CD1 4.06Å; L33-Y163 HydrophobicContact CD2-CE1 3.86Å; L33-L166 HydrophobicContact CD1-CD1 4.17Å; L33-L166 HydrophobicContact CD1-CD2 4.49Å; L33-L166 HydrophobicContact CD2-CD1 3.73Å; L33-L166 HydrophobicContact CD2-CG 4.4Å
34K96.8Very high94.9Very high87 Ų8752.1 Ų52.138%0.37830%0.298SS..Hα-helixtrans-79.7-42.4-176.1179.161.1169.2-174.60113.4L30 Y31 E50 T51 V52L30-K34 VanDerWaalsContact O-CB 3.25Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 3.1Å; Y31-K34 PolarHBondContact O-N 3.38Å; K34-E50 WeakPolarHBondContact CE-OE2 3.27Å; K34-E50 IonicContact NZ-OE2 3.85Å; K34-T51 WeakPolarHBondContact CD-O 3.36Å; K34-T51 PolarHBondContact NZ-O 3.41Å; K34-V52 HydrophobicContact CB-CG2 4.34Å
35L96.3Very high94.4Very high91 Ų9158.5 Ų58.548%0.47634%0.337SS..Hα-helixtrans-112.6-8.1-168.6-54.8176.3000112.8Y31 Q37 V39Y31-L35 HydrophobicContact CD1-CD1 3.9Å; Y31-L35 HydrophobicContact CD1-CG 4.4Å; Y31-L35 HydrophobicContact CG-CD1 4.37Å; Y31-L35 WeakPolarHBondContact O-CA 3.12Å; Y31-L35 VanDerWaalsContact O-CB 3.3Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 3.38Å; L35-Q37 HydrophobicContact CB-CG 4.05Å; L35-Q37 PolarHBondContact O-N 3.11Å; L35-V39 HydrophobicContact CD1-CG2 4.04Å
36G94.6Very high94.1Very high47 Ų4759.2 Ų59.249%0.48534%0.344SS..SBendtrans73.8-3.4-176.300000114.6K32K32-G36 WeakPolarHBondContact O-CA 3.23Å; K32-G36 PolarHBondContact O-N 2.88Å
37Q91.7Very high93.9Very high122 Ų12263.2 Ų63.257%0.5736%0.362SS*.SBendtrans-130.2151.7-175.162.7-174.3-40.300111.7L35 V39L35-Q37 HydrophobicContact CB-CG 4.05Å; L35-Q37 PolarHBondContact O-N 3.11Å; Q37-V39 HydrophobicContact CG-CG2 4.46Å
38S87.7Confident93.7Very high58 Ų5864.3 Ų64.341%0.40637%0.367SS..  trans-75.8133173.2-172.50000109.2
39V88.9Confident93.7Very high55 Ų5566 Ų6633%0.33338%0.377SS..  trans-117.4140.7176.3-178.30000108.1L35 Q37 T41L35-V39 HydrophobicContact CD1-CG2 4.04Å; Q37-V39 HydrophobicContact CG-CG2 4.46Å; V39-T41 PolarHBondContact O-N 2.91Å
40T88.2Confident93.6Very high142 Ų14268.3 Ų68.387%0.87139%0.388SS*.  trans-64.9122.4172-57.10000109.5
41T91.1Very high93.6Very high54 Ų5470.6 Ų70.633%0.33140%0.402SS..  trans-109139.1-17858.40000110.9T27 Y31 V39T27-T41 HydrophobicContact CG2-CG2 3.62Å; Y31-T41 HydrophobicContact CD2-CG2 4.4Å; V39-T41 PolarHBondContact O-N 2.91Å
42I90.7Very high93.6Very high143 Ų14367.9 Ų67.973%0.73339%0.392SS*.PPolyproline II helixtrans-93.2161.1163.861.9172.4000109.6T44I42-T44 PolarHBondContact O-N 3.1Å
43P92.6Very high93.5Very high98 Ų9870.7 Ų70.764%0.63641%0.411SS*.PPolyproline II helixtrans-55.1123.4176.5-24.333.9000111.7V45P43-V45 PolarHBondContact O-N 3.2Å
44T91.4Very high93.3Very high25 Ų2572 Ų7215%0.15342%0.415CS..PPolyproline II helixtrans-63.6127.3-177.8-49.30000110.7T27 I42 Q67T27-T44 PolarHBondContact OG1-OG1 2.86Å; I42-T44 PolarHBondContact O-N 3.1Å; T44-Q67 PolarHBondContact O-NE2 2.98Å; T44-Q67 PolarHBondContact O-OE1 3.2Å
45V88.6Confident93Very high137 Ų13773.8 Ų73.883%0.8342%0.423SS*.SBendtrans-94110.9172.4-179.70000107.7P43 F47P43-V45 PolarHBondContact O-N 3.2Å; V45-F47 PolarHBondContact O-N 3.08Å
46G92Very high92.7Very high27 Ų2774.5 Ų74.528%0.27843%0.428SS..SBendtrans77.7-112.5-177.100000112.2V64 G65G46-V64 WeakPolarHBondContact O-CG1 3.31Å; G46-G65 PolarHBondContact O-N 2.97Å
47F94.8Very high92.7Very high96 Ų9672.6 Ų72.642%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-146.2159.6-175.874.5-81.7000112.9V45 V49 W62 D63 V64 Y77V45-F47 PolarHBondContact O-N 3.08Å; F47-V49 HydrophobicContact CD2-CG2 3.66Å; F47-V49 HydrophobicContact CE2-CG2 3.63Å; F47-W62 AromaticContact CD2-CE3 3.69Å; F47-W62 HydrophobicContact CD2-CE3 3.69Å; F47-W62 AromaticContact CD2-CZ3 3.7Å; F47-W62 HydrophobicContact CD2-CZ3 3.7Å; F47-W62 AromaticContact CE2-CE3 3.9Å; F47-W62 HydrophobicContact CE2-CE3 3.9Å; F47-W62 HydrophobicContact CE2-CH2 4.27Å; F47-W62 AromaticContact CE2-CZ3 3.4Å; F47-W62 HydrophobicContact CE2-CZ3 3.4Å; F47-W62 HydrophobicContact CG-CE3 4.49Å; F47-W62 HydrophobicContact CZ-CZ3 4.06Å; F47-D63 CarbonylContact C-O 3.58Å; F47-D63 WeakPolarHBondContact CA-O 3.31Å; F47-D63 WeakPolarHBondContact CB-O 3.32Å; F47-V64 HydrophobicContact CB-CG1 4.5Å; F47-V64 HydrophobicContact CB-CG2 4.15Å; F47-Y77 HydrophobicContact CB-CE1 4.26Å; F47-Y77 AromaticContact CD1-CE1 3.72Å; F47-Y77 HydrophobicContact CD1-CE1 3.72Å; F47-Y77 AromaticContact CD1-CZ 3.75Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.3Å; F47-Y77 HydrophobicContact CD2-CE1 4.4Å; F47-Y77 HydrophobicContact CE1-CE1 4.13Å; F47-Y77 AromaticContact CG-CE1 3.87Å; F47-Y77 HydrophobicContact CG-CE1 3.87Å
48N93.8Very high92.9Very high42 Ų4270 Ų7023%0.22539%0.393CS..EExtended strand (participates in β ladder)trans-127.4147.4169.3-176.944.9000109.7E50 D63N48-E50 WeakPolarHBondContact ND2-CG 3.19Å; N48-D63 PolarHBondContact N-O 3.22Å; N48-D63 PolarHBondContact O-N 3.19Å
49V97.1Very high93.4Very high56 Ų5667.2 Ų67.234%0.33937%0.374SS..EExtended strand (participates in β ladder)trans-125.8123.8176.4-173.60000109.9F47 V61 W62F47-V49 HydrophobicContact CD2-CG2 3.66Å; F47-V49 HydrophobicContact CE2-CG2 3.63Å; V49-V61 WeakPolarHBondContact CA-O 3.43Å; V49-W62 HydrophobicContact CG2-CD2 3.6Å; V49-W62 HydrophobicContact CG2-CE3 3.51Å; V49-W62 HydrophobicContact CG2-CG 4.22Å; V49-W62 HydrophobicContact CG2-CH2 4.01Å; V49-W62 HydrophobicContact CG2-CZ2 4.1Å; V49-W62 HydrophobicContact CG2-CZ3 3.73Å
50E97.8Very high93.8Very high48 Ų4866.5 Ų66.522%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-133.9143.2178.1-70.4-69.7172.400110.9L30 K34 N48 V61L30-E50 HydrophobicContact CD1-CB 3.97Å; L30-E50 HydrophobicContact CD2-CB 4.04Å; L30-E50 HydrophobicContact CD2-CG 3.91Å; L30-E50 HydrophobicContact CG-CB 4.22Å; L30-E50 HydrophobicContact CG-CG 4.31Å; K34-E50 WeakPolarHBondContact CE-OE2 3.27Å; K34-E50 IonicContact NZ-OE2 3.85Å; N48-E50 WeakPolarHBondContact ND2-CG 3.19Å; E50-V61 PolarHBondContact N-O 2.71Å; E50-V61 PolarHBondContact O-N 3Å
51T98Very high94.4Very high48 Ų4860 Ų6029%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-91.2115.7168.4-54.90000110K34 K58 F59 N60K34-T51 WeakPolarHBondContact CD-O 3.36Å; K34-T51 PolarHBondContact NZ-O 3.41Å; T51-K58 HydrophobicContact CG2-CB 3.97Å; T51-K58 HydrophobicContact CG2-CD 4.38Å; T51-K58 HydrophobicContact CG2-CG 4.28Å; T51-F59 CarbonylContact C-O 3.52Å; T51-F59 VanDerWaalsContact CA-O 3.31Å; T51-F59 WeakPolarHBondContact CA-O 3.31Å; T51-N60 PolarHBondContact OG1-OD1 3.09Å
52V97.5Very high94.7Very high3 Ų360.5 Ų60.52%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-99.4125170.91740000108.3L30 L33 K34 F59 V61 L166L30-V52 HydrophobicContact CD1-CG2 3.87Å; L33-V52 HydrophobicContact CB-CG1 3.93Å; L33-V52 HydrophobicContact CB-CG2 4.15Å; K34-V52 HydrophobicContact CB-CG2 4.34Å; V52-F59 HydrophobicContact CB-CB 4.37Å; V52-F59 PolarHBondContact N-O 2.65Å; V52-F59 PolarHBondContact O-N 3.17Å; V52-V61 HydrophobicContact CG2-CG2 4.33Å; V52-L166 HydrophobicContact CG1-CD1 4.32Å
53T95.4Very high95.1Very high90 Ų9053.7 Ų53.755%0.55229%0.289SS*.EExtended strand (participates in β ladder)trans-100.5123.5174.7-560000109.1
54Y95Very high95.3Very high42 Ų4249.1 Ų49.117%0.16526%0.26CS..EExtended strand (participates in β ladder)trans-136123.8173.8175.3-106.3000109.4N56 V57 Y163 L166 T167Y54-N56 PolarHBondContact O-N 3.46Å; Y54-V57 PolarHBondContact N-O 2.99Å; Y54-V57 PolarHBondContact O-N 3.5Å; Y54-V57 VanDerWaalsContact O-N 3.1Å; Y54-Y163 AromaticContact CD2-CD1 3.51Å; Y54-Y163 HydrophobicContact CD2-CD1 3.51Å; Y54-Y163 HydrophobicContact CD2-CE1 4.07Å; Y54-Y163 AromaticContact CE2-CD1 3.49Å; Y54-Y163 HydrophobicContact CE2-CD1 3.49Å; Y54-Y163 VanDerWaalsContact CE2-CD1 3.49Å; Y54-Y163 HydrophobicContact CE2-CE1 4.35Å; Y54-Y163 HydrophobicContact CE2-CG 4.08Å; Y54-Y163 HydrophobicContact CG-CD1 4.43Å; Y54-L166 HydrophobicContact CD1-CB 3.75Å; Y54-L166 HydrophobicContact CD1-CD1 4.33Å; Y54-L166 HydrophobicContact CE1-CB 4.1Å; Y54-L166 HydrophobicContact CG-CB 4.28Å; Y54-L166 HydrophobicContact CG-CD1 4.04Å; Y54-T167 VanDerWaalsContact CE1-OG1 3.31Å; Y54-T167 WeakPolarHBondContact CE1-OG1 3.39Å; Y54-T167 PolarHBondContact OH-OG1 3.39Å
55K91Very high95.6Very high126 Ų12648 Ų4855%0.54825%0.253SS..THydrogen-bonded Turntrans53.2-128.9-168.3-62.2171172.4161.80109.9T167K55-T167 PolarHBondContact NZ-OG1 3.3Å; K55-T167 VanDerWaalsContact NZ-OG1 3.09Å
56N89.1Confident96Very high106 Ų10641.6 Ų41.657%0.56721%0.214SC*.THydrogen-bonded Turntrans-96.220.6178.465-31.2000113.3N11 K12 Y54N11-N56 WeakPolarHBondContact CA-O 3.46Å; K12-N56 PolarHBondContact N-O 3.16Å; K12-N56 VanDerWaalsContact N-O 3.16Å; Y54-N56 PolarHBondContact O-N 3.46Å
57V94Very high96.3Very high6 Ų642.8 Ų42.84%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-119.8131.3-177.8-172.70000110.5K12 M14 Y54 F59 T170K12-V57 HydrophobicContact CB-CG1 4.48Å; K12-V57 HydrophobicContact CB-CG2 4.22Å; K12-V57 CarbonylContact O-C 3.57Å; K12-V57 VanDerWaalsContact O-CA 3.25Å; K12-V57 WeakPolarHBondContact O-CA 3.12Å; K12-V57 WeakPolarHBondContact O-CG1 3.37Å; M14-V57 HydrophobicContact CB-CG1 4.38Å; Y54-V57 PolarHBondContact N-O 2.99Å; Y54-V57 PolarHBondContact O-N 3.5Å; Y54-V57 VanDerWaalsContact O-N 3.1Å; V57-F59 HydrophobicContact CB-CD2 4.49Å; V57-F59 HydrophobicContact CB-CE2 3.91Å; V57-F59 HydrophobicContact CB-CZ 4.27Å; V57-F59 HydrophobicContact CG1-CD1 4.49Å; V57-F59 HydrophobicContact CG1-CD2 4.16Å; V57-F59 HydrophobicContact CG1-CE1 4.19Å; V57-F59 HydrophobicContact CG1-CE2 3.78Å; V57-F59 HydrophobicContact CG1-CZ 3.85Å; V57-T170 HydrophobicContact CB-CG2 4.05Å; V57-T170 HydrophobicContact CG1-CG2 4.27Å; V57-T170 HydrophobicContact CG2-CG2 3.62Å
58K96.6Very high96.4Very high67 Ų6743.3 Ų43.329%0.29122%0.22SC..EExtended strand (participates in β ladder)trans-98.9115.6169-68.1-179.6179.5-179.50109.2N11 K12 E13 M14 T51N11-K58 HydrophobicContact CB-CD 4.36Å; N11-K58 HydrophobicContact CB-CG 4.24Å; K12-K58 PolarHBondContact O-N 2.96Å; E13-K58 CarbonylContact C-O 3.54Å; E13-K58 VanDerWaalsContact CA-O 3.32Å; E13-K58 WeakPolarHBondContact CA-O 3.34Å; E13-K58 HydrophobicContact CG-CB 4.24Å; M14-K58 PolarHBondContact N-O 3.24Å; T51-K58 HydrophobicContact CG2-CB 3.97Å; T51-K58 HydrophobicContact CG2-CD 4.38Å; T51-K58 HydrophobicContact CG2-CG 4.28Å
59F98.1Very high96.5Very high1 Ų150.6 Ų50.60%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-92114.9173.2-62.2-89.5000109.1M14 I16 T51 V52 V57 V61 L166 L169 T170M14-F59 HydrophobicContact CB-CD1 4.08Å; M14-F59 HydrophobicContact CB-CE1 4.39Å; M14-F59 HydrophobicContact CG-CD1 4.49Å; M14-F59 CarbonylContact O-C 3.52Å; M14-F59 WeakPolarHBondContact O-CA 3.08Å; M14-F59 HydrophobicContact SD-CD1 4.28Å; M14-F59 HydrophobicContact SD-CE1 3.88Å; I16-F59 HydrophobicContact CD1-CD1 4.12Å; I16-F59 HydrophobicContact CG1-CB 4.29Å; I16-F59 HydrophobicContact CG1-CD1 3.66Å; I16-F59 HydrophobicContact CG1-CG 4.47Å; T51-F59 CarbonylContact C-O 3.52Å; T51-F59 VanDerWaalsContact CA-O 3.31Å; T51-F59 WeakPolarHBondContact CA-O 3.31Å; V52-F59 HydrophobicContact CB-CB 4.37Å; V52-F59 PolarHBondContact N-O 2.65Å; V52-F59 PolarHBondContact O-N 3.17Å; V57-F59 HydrophobicContact CB-CD2 4.49Å; V57-F59 HydrophobicContact CB-CE2 3.91Å; V57-F59 HydrophobicContact CB-CZ 4.27Å; V57-F59 HydrophobicContact CG1-CD1 4.49Å; V57-F59 HydrophobicContact CG1-CD2 4.16Å; V57-F59 HydrophobicContact CG1-CE1 4.19Å; V57-F59 HydrophobicContact CG1-CE2 3.78Å; V57-F59 HydrophobicContact CG1-CZ 3.85Å; F59-V61 HydrophobicContact CB-CG2 3.91Å; F59-V61 PolarHBondContact O-N 2.97Å; F59-L166 HydrophobicContact CE1-CD2 4.39Å; F59-L166 HydrophobicContact CE2-CB 4.46Å; F59-L166 HydrophobicContact CE2-CD1 4.34Å; F59-L166 HydrophobicContact CE2-CD2 4.44Å; F59-L166 HydrophobicContact CZ-CB 4.32Å; F59-L166 HydrophobicContact CZ-CD2 4.26Å; F59-L169 HydrophobicContact CE1-CB 4.34Å; F59-L169 HydrophobicContact CE1-CD1 4.43Å; F59-T170 HydrophobicContact CE1-CG2 4.39Å; F59-T170 HydrophobicContact CE2-CG2 4.18Å; F59-T170 HydrophobicContact CZ-CG2 3.49Å; F59-T170 VanDerWaalsContact CZ-CG2 3.49Å
60N98.2Very high96.4Very high39 Ų3949.9 Ų49.921%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-88.194.9171.1-66.4-43.9000107.5E13 M14 I16 T51E13-N60 PolarHBondContact OE2-ND2 3.31Å; M14-N60 PolarHBondContact O-N 2.97Å; I16-N60 PolarHBondContact N-O 3.34Å; T51-N60 PolarHBondContact OG1-OD1 3.09Å
61V98.8Very high96.4Very high5 Ų548 Ų483%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-94.7120.8-170.1-174.40000109.9I16 M18 L30 V49 E50 V52 F59I16-V61 HydrophobicContact CB-CG2 4.21Å; I16-V61 HydrophobicContact CG2-CG1 4.32Å; I16-V61 WeakPolarHBondContact O-CA 3.46Å; M18-V61 HydrophobicContact CB-CG1 4.02Å; M18-V61 HydrophobicContact CE-CG1 3.87Å; L30-V61 HydrophobicContact CD1-CB 3.86Å; L30-V61 HydrophobicContact CD1-CG1 3.89Å; L30-V61 HydrophobicContact CD1-CG2 4.26Å; V49-V61 WeakPolarHBondContact CA-O 3.43Å; E50-V61 PolarHBondContact N-O 2.71Å; E50-V61 PolarHBondContact O-N 3Å; V52-V61 HydrophobicContact CG2-CG2 4.33Å; F59-V61 HydrophobicContact CB-CG2 3.91Å; F59-V61 PolarHBondContact O-N 2.97Å
62W98.6Very high96.3Very high65 Ų6548.7 Ų48.725%0.24624%0.24CC..EExtended strand (participates in β ladder)trans-94.299.9170.2-66.972000108.6I16 L17 M18 F47 V49 Y77I16-W62 PolarHBondContact O-N 2.93Å; L17-W62 HydrophobicContact CD1-CB 3.73Å; M18-W62 PolarHBondContact N-O 3.13Å; F47-W62 AromaticContact CD2-CE3 3.69Å; F47-W62 HydrophobicContact CD2-CE3 3.69Å; F47-W62 AromaticContact CD2-CZ3 3.7Å; F47-W62 HydrophobicContact CD2-CZ3 3.7Å; F47-W62 AromaticContact CE2-CE3 3.9Å; F47-W62 HydrophobicContact CE2-CE3 3.9Å; F47-W62 HydrophobicContact CE2-CH2 4.27Å; F47-W62 AromaticContact CE2-CZ3 3.4Å; F47-W62 HydrophobicContact CE2-CZ3 3.4Å; F47-W62 HydrophobicContact CG-CE3 4.49Å; F47-W62 HydrophobicContact CZ-CZ3 4.06Å; V49-W62 HydrophobicContact CG2-CD2 3.6Å; V49-W62 HydrophobicContact CG2-CE3 3.51Å; V49-W62 HydrophobicContact CG2-CG 4.22Å; V49-W62 HydrophobicContact CG2-CH2 4.01Å; V49-W62 HydrophobicContact CG2-CZ2 4.1Å; V49-W62 HydrophobicContact CG2-CZ3 3.73Å; W62-Y77 AromaticContact CE3-CD1 3.69Å; W62-Y77 HydrophobicContact CE3-CD1 3.69Å; W62-Y77 HydrophobicContact CE3-CE1 4.18Å; W62-Y77 AromaticContact CZ3-CD1 3.88Å; W62-Y77 HydrophobicContact CZ3-CD1 3.88Å; W62-Y77 HydrophobicContact CZ3-CE1 4.14Å
63D98.3Very high96.3Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-86.4120.3172.3172.942.7000109.2K26 T27 L30 F47 N48K26-D63 WeakPolarHBondContact CB-OD1 3.44Å; T27-D63 WeakPolarHBondContact CB-OD2 3.32Å; T27-D63 PolarHBondContact OG1-OD2 3.03Å; L30-D63 HydrophobicContact CD2-CB 3.65Å; F47-D63 CarbonylContact C-O 3.58Å; F47-D63 WeakPolarHBondContact CA-O 3.31Å; F47-D63 WeakPolarHBondContact CB-O 3.32Å; N48-D63 PolarHBondContact N-O 3.22Å; N48-D63 PolarHBondContact O-N 3.19Å
64V98.1Very high96.4Very high3 Ų348.1 Ų48.12%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-118.9137.7-174.9-169.80000109.5L17 M18 L19 K26 G46 F47 Y77L17-V64 HydrophobicContact CD1-CG2 3.81Å; M18-V64 PolarHBondContact O-N 2.81Å; L19-V64 HydrophobicContact CD2-CB 3.76Å; L19-V64 HydrophobicContact CD2-CG1 4.49Å; L19-V64 HydrophobicContact CD2-CG2 3.97Å; K26-V64 WeakPolarHBondContact CE-O 3.32Å; G46-V64 WeakPolarHBondContact O-CG1 3.31Å; F47-V64 HydrophobicContact CB-CG1 4.5Å; F47-V64 HydrophobicContact CB-CG2 4.15Å; V64-Y77 HydrophobicContact CG1-CD2 4.06Å; V64-Y77 HydrophobicContact CG1-CE2 3.71Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.08Å; V64-Y77 HydrophobicContact CG2-CG 4.21Å
65G97.1Very high96.5Very high2 Ų252.2 Ų52.22%0.02125%0.248CC..  trans-58.8146.7178.300000112G46 I70 W74G46-G65 PolarHBondContact O-N 2.97Å; G65-I70 WeakPolarHBondContact O-CD1 3.41Å; G65-W74 PolarHBondContact O-NE1 3.45Å
66G97.5Very high96.8Very high1 Ų152.1 Ų52.11%0.0125%0.249CC..  trans-112.510.5-171.600000115.3G20 D22 R71G20-G66 WeakPolarHBondContact O-CA 3.5Å; D22-G66 PolarHBondContact N-O 3.24Å; D22-G66 VanDerWaalsContact OD1-O 3.14Å; G66-R71 PolarHBondContact O-NE 2.86Å; G66-R71 PolarHBondContact O-NH2 3.02Å
67Q97Very high97.3Very high52 Ų5248.7 Ų48.724%0.24323%0.228CC..  trans-67.5138.6178.9-53.383.4-16.500109D22 T44 K69 I70 R71D22-Q67 HydrophobicContact CB-CG 4.16Å; T44-Q67 PolarHBondContact O-NE2 2.98Å; T44-Q67 PolarHBondContact O-OE1 3.2Å; Q67-K69 VanDerWaalsContact C-N 3.29Å; Q67-K69 PolarHBondContact O-N 3.02Å; Q67-K69 VanDerWaalsContact O-N 3.12Å; Q67-I70 HydrophobicContact CB-CG1 4.27Å; Q67-I70 VanDerWaalsContact O-CG1 3.24Å; Q67-I70 WeakPolarHBondContact O-CG1 3.37Å; Q67-I70 PolarHBondContact O-N 3.32Å; Q67-R71 WeakPolarHBondContact O-CG 3.34Å; Q67-R71 PolarHBondContact O-N 3.02Å
68D97Very high97.5Very high107 Ų10749 Ų4957%0.57223%0.229SC*.G310 helixtrans-43-51.8-175.2178.741.7000113.6I70 R71D68-I70 PolarHBondContact O-N 2.79Å; D68-R71 PolarHBondContact O-N 3.45Å; D68-R71 IonicContact OD1-NH1 3.78Å
69K96.1Very high97.5Very high195 Ų19550.1 Ų50.185%0.84824%0.242SC*.G310 helixtrans-58-22.1-178.4-65.6-175.1179.1179.60115.4Q67Q67-K69 VanDerWaalsContact C-N 3.29Å; Q67-K69 PolarHBondContact O-N 3.02Å; Q67-K69 VanDerWaalsContact O-N 3.12Å
70I95Very high97.4Very high41 Ų4152.6 Ų52.621%0.2127%0.268CS..G310 helixtrans-110.7-8.9-176.769.3162.3000114.1G65 Q67 D68 P72 L73G65-I70 WeakPolarHBondContact O-CD1 3.41Å; Q67-I70 HydrophobicContact CB-CG1 4.27Å; Q67-I70 VanDerWaalsContact O-CG1 3.24Å; Q67-I70 WeakPolarHBondContact O-CG1 3.37Å; Q67-I70 PolarHBondContact O-N 3.32Å; D68-I70 PolarHBondContact O-N 2.79Å; I70-P72 VanDerWaalsContact C-N 3.27Å; I70-L73 HydrophobicContact CB-CD1 4.31Å; I70-L73 VanDerWaalsContact O-CB 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.45Å; I70-L73 PolarHBondContact O-N 3.33Å
71R97.8Very high97.4Very high8 Ų851.3 Ų51.33%0.0326%0.261CS..G310 helixtrans-57.1-32.1176.6-54.8-171.7-164.5138.80.9114.1L21 D22 G66 Q67 D68 L73 W74 E98L21-R71 VanDerWaalsContact CD2-CZ 3.47Å; D22-R71 IonicContact OD1-NH2 2.6Å; D22-R71 PolarHBondContact OD1-NH2 3.47Å; G66-R71 PolarHBondContact O-NE 2.86Å; G66-R71 PolarHBondContact O-NH2 3.02Å; Q67-R71 WeakPolarHBondContact O-CG 3.34Å; Q67-R71 PolarHBondContact O-N 3.02Å; D68-R71 PolarHBondContact O-N 3.45Å; D68-R71 IonicContact OD1-NH1 3.78Å; R71-L73 PolarHBondContact O-N 3.23Å; R71-L73 VanDerWaalsContact O-N 3.08Å; R71-W74 HydrophobicContact CB-CD2 4.05Å; R71-W74 HydrophobicContact CB-CE3 4.23Å; R71-W74 HydrophobicContact CB-CH2 4.33Å; R71-W74 HydrophobicContact CB-CZ2 4.16Å; R71-W74 HydrophobicContact CB-CZ3 4.34Å; R71-W74 HydrophobicContact CG-CD2 4.43Å; R71-W74 HydrophobicContact CG-CH2 3.94Å; R71-W74 HydrophobicContact CG-CZ2 3.64Å; R71-W74 HydrophobicContact CG-CZ3 4.43Å; R71-W74 VanDerWaalsContact O-CB 3.28Å; R71-W74 WeakPolarHBondContact O-CB 3.45Å; R71-W74 VanDerWaalsContact O-CG 3.23Å; R71-W74 PolarHBondContact O-N 3.25Å; R71-E98 IonicContact CZ-OE1 2.68Å; R71-E98 IonicContact NH1-OE1 3.25Å; R71-E98 PolarHBondContact NH1-OE1 3.45Å; R71-E98 IonicContact NH2-OE1 2.73Å; R71-E98 PolarHBondContact NH2-OE1 2.83Å
72P96.4Very high97.3Very high64 Ų6453.8 Ų53.842%0.41627%0.272SS..G310 helixtrans-55.9-25171-29.137.6000114.1I70 W74 R75I70-P72 VanDerWaalsContact C-N 3.27Å; P72-W74 VanDerWaalsContact C-N 3.33Å; P72-R75 PolarHBondContact O-NE 3.03Å; P72-R75 VanDerWaalsContact O-NE 3.12Å; P72-R75 PolarHBondContact O-NH1 2.83Å; P72-R75 PolarHBondContact O-NH2 3.09Å
73L96.2Very high97.3Very high79 Ų7950.7 Ų50.741%0.41426%0.26SS..G310 helixtrans-79-13.1178.9-55178.3000113.3I70 R71 R75 H76 Y77I70-L73 HydrophobicContact CB-CD1 4.31Å; I70-L73 VanDerWaalsContact O-CB 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.45Å; I70-L73 PolarHBondContact O-N 3.33Å; R71-L73 PolarHBondContact O-N 3.23Å; R71-L73 VanDerWaalsContact O-N 3.08Å; L73-R75 PolarHBondContact O-N 2.87Å; L73-R75 VanDerWaalsContact O-N 3.14Å; L73-H76 WeakPolarHBondContact O-CB 3.47Å; L73-H76 PolarHBondContact O-CD2 2.91Å; L73-H76 PolarHBondContact O-N 3.19Å; L73-Y77 WeakPolarHBondContact O-CE2 3.24Å
74W98.4Very high97.3Very high1 Ų150.7 Ų50.70%0.00426%0.261CS..G310 helixtrans-54.5-35.3-180-70.3-7.6000113L19 G20 G65 R71 P72 H76 Y77 Y78 E102 I106L19-W74 HydrophobicContact CD1-CB 4.27Å; L19-W74 HydrophobicContact CD1-CD2 4.17Å; L19-W74 HydrophobicContact CD1-CE3 4.11Å; L19-W74 HydrophobicContact CD1-CG 4.31Å; L19-W74 HydrophobicContact CD2-CB 4.29Å; L19-W74 HydrophobicContact CD2-CD2 3.9Å; L19-W74 HydrophobicContact CD2-CG 3.78Å; L19-W74 HydrophobicContact CG-CD2 4.44Å; G20-W74 WeakPolarHBondContact O-CZ2 3.47Å; G65-W74 PolarHBondContact O-NE1 3.45Å; R71-W74 HydrophobicContact CB-CD2 4.05Å; R71-W74 HydrophobicContact CB-CE3 4.23Å; R71-W74 HydrophobicContact CB-CH2 4.33Å; R71-W74 HydrophobicContact CB-CZ2 4.16Å; R71-W74 HydrophobicContact CB-CZ3 4.34Å; R71-W74 HydrophobicContact CG-CD2 4.43Å; R71-W74 HydrophobicContact CG-CH2 3.94Å; R71-W74 HydrophobicContact CG-CZ2 3.64Å; R71-W74 HydrophobicContact CG-CZ3 4.43Å; R71-W74 VanDerWaalsContact O-CB 3.28Å; R71-W74 WeakPolarHBondContact O-CB 3.45Å; R71-W74 VanDerWaalsContact O-CG 3.23Å; R71-W74 PolarHBondContact O-N 3.25Å; P72-W74 VanDerWaalsContact C-N 3.33Å; W74-H76 PolarHBondContact O-N 2.85Å; W74-H76 VanDerWaalsContact O-N 3.11Å; W74-Y77 WeakPolarHBondContact O-CD2 3.29Å; W74-Y77 PolarHBondContact O-N 3.49Å; W74-Y78 VanDerWaalsContact C-CE1 3.49Å; W74-Y78 HydrophobicContact CB-CE1 4.02Å; W74-Y78 VanDerWaalsContact O-CD1 3.29Å; W74-Y78 WeakPolarHBondContact O-CD1 3.46Å; W74-Y78 VanDerWaalsContact O-CE1 3.24Å; W74-Y78 WeakPolarHBondContact O-CE1 3.09Å; W74-E102 HydrophobicContact CH2-CB 4.32Å; W74-E102 HydrophobicContact CH2-CG 4.35Å; W74-E102 HydrophobicContact CZ3-CB 3.93Å; W74-E102 HydrophobicContact CZ3-CG 4.19Å; W74-E102 WeakPolarHBondContact CZ3-OE2 3.5Å; W74-I106 HydrophobicContact CE3-CD1 3.75Å; W74-I106 HydrophobicContact CE3-CG1 3.96Å; W74-I106 HydrophobicContact CZ3-CD1 3.62Å; W74-I106 HydrophobicContact CZ3-CG1 4.23Å
75R98.1Very high97.4Very high129 Ų12950.7 Ų50.749%0.48726%0.26SS..G310 helixtrans-58.6-25.5179.776.2-179.393.299.3-6.3113.9P72 L73 Y77 Y78P72-R75 PolarHBondContact O-NE 3.03Å; P72-R75 VanDerWaalsContact O-NE 3.12Å; P72-R75 PolarHBondContact O-NH1 2.83Å; P72-R75 PolarHBondContact O-NH2 3.09Å; L73-R75 PolarHBondContact O-N 2.87Å; L73-R75 VanDerWaalsContact O-N 3.14Å; R75-Y77 PolarHBondContact O-N 3.41Å; R75-Y77 VanDerWaalsContact O-N 3.17Å; R75-Y78 HydrophobicContact CB-CD2 3.98Å; R75-Y78 HydrophobicContact CB-CE2 3.72Å; R75-Y78 PolarHBondContact O-N 3.37Å
76H97.2Very high97.5Very high123 Ų12350.6 Ų50.657%0.56926%0.259SS*.G310 helixtrans-68.7-10.7177.8-61.4-47.7000113.3L73 W74L73-H76 WeakPolarHBondContact O-CB 3.47Å; L73-H76 PolarHBondContact O-CD2 2.91Å; L73-H76 PolarHBondContact O-N 3.19Å; W74-H76 PolarHBondContact O-N 2.85Å; W74-H76 VanDerWaalsContact O-N 3.11Å
77Y97.9Very high97.5Very high35 Ų3550.6 Ų50.614%0.13726%0.259CS..G310 helixtrans-110.61.7-180-47.8-74.2000113.2R15 L17 F47 W62 V64 L73 W74 R75 T81R15-Y77 PolarHBondContact NH1-O 3.44Å; R15-Y77 PolarHBondContact NH2-O 3.1Å; L17-Y77 HydrophobicContact CD1-CG 4.42Å; F47-Y77 HydrophobicContact CB-CE1 4.26Å; F47-Y77 AromaticContact CD1-CE1 3.72Å; F47-Y77 HydrophobicContact CD1-CE1 3.72Å; F47-Y77 AromaticContact CD1-CZ 3.75Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.3Å; F47-Y77 HydrophobicContact CD2-CE1 4.4Å; F47-Y77 HydrophobicContact CE1-CE1 4.13Å; F47-Y77 AromaticContact CG-CE1 3.87Å; F47-Y77 HydrophobicContact CG-CE1 3.87Å; W62-Y77 AromaticContact CE3-CD1 3.69Å; W62-Y77 HydrophobicContact CE3-CD1 3.69Å; W62-Y77 HydrophobicContact CE3-CE1 4.18Å; W62-Y77 AromaticContact CZ3-CD1 3.88Å; W62-Y77 HydrophobicContact CZ3-CD1 3.88Å; W62-Y77 HydrophobicContact CZ3-CE1 4.14Å; V64-Y77 HydrophobicContact CG1-CD2 4.06Å; V64-Y77 HydrophobicContact CG1-CE2 3.71Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.08Å; V64-Y77 HydrophobicContact CG2-CG 4.21Å; L73-Y77 WeakPolarHBondContact O-CE2 3.24Å; W74-Y77 WeakPolarHBondContact O-CD2 3.29Å; W74-Y77 PolarHBondContact O-N 3.49Å; R75-Y77 PolarHBondContact O-N 3.41Å; R75-Y77 VanDerWaalsContact O-N 3.17Å; Y77-T81 PolarHBondContact O-OG1 3.12Å
78Y98.6Very high97.6Very high11 Ų1148.3 Ų48.34%0.04325%0.249CC..  trans-70.1-44.3-175.8-66.5-7.6000112.6L17 L19 W74 R75 G80 T81 I106 D109 M112L17-Y78 HydrophobicContact CD2-CD1 3.57Å; L17-Y78 HydrophobicContact CD2-CE1 4.02Å; L19-Y78 HydrophobicContact CD1-CE1 4.01Å; W74-Y78 VanDerWaalsContact C-CE1 3.49Å; W74-Y78 HydrophobicContact CB-CE1 4.02Å; W74-Y78 VanDerWaalsContact O-CD1 3.29Å; W74-Y78 WeakPolarHBondContact O-CD1 3.46Å; W74-Y78 VanDerWaalsContact O-CE1 3.24Å; W74-Y78 WeakPolarHBondContact O-CE1 3.09Å; R75-Y78 HydrophobicContact CB-CD2 3.98Å; R75-Y78 HydrophobicContact CB-CE2 3.72Å; R75-Y78 PolarHBondContact O-N 3.37Å; Y78-G80 PolarHBondContact O-N 2.87Å; Y78-T81 VanDerWaalsContact O-CB 3.23Å; Y78-T81 WeakPolarHBondContact O-CB 3.32Å; Y78-T81 PolarHBondContact O-N 2.78Å; Y78-T81 PolarHBondContact O-OG1 2.93Å; Y78-I106 HydrophobicContact CE1-CG2 4.1Å; Y78-I106 WeakPolarHBondContact OH-CG1 3.36Å; Y78-D109 HydrophobicContact CD2-CB 3.75Å; Y78-D109 VanDerWaalsContact CD2-CG 3.48Å; Y78-D109 HydrophobicContact CE2-CB 3.67Å; Y78-M112 HydrophobicContact CD1-CG 4.02Å; Y78-M112 HydrophobicContact CD1-SD 3.79Å; Y78-M112 HydrophobicContact CD2-CG 3.83Å; Y78-M112 HydrophobicContact CE1-CG 4.5Å; Y78-M112 HydrophobicContact CE2-CG 4.32Å; Y78-M112 HydrophobicContact CG-CG 3.67Å; Y78-M112 HydrophobicContact CG-SD 3.79Å
79T97.6Very high97.7Very high92 Ų9244.2 Ų44.256%0.56423%0.227SC*.THydrogen-bonded Turntrans-48122.5-178.5-52.10000112.1R15 T81 E111R15-T79 VanDerWaalsContact CZ-O 3.31Å; R15-T79 PolarHBondContact NH1-O 2.97Å; T79-T81 VanDerWaalsContact C-N 3.32Å; T79-T81 PolarHBondContact O-N 2.76Å; T79-E111 WeakPolarHBondContact CA-OE2 3.44Å; T79-E111 PolarHBondContact N-OE2 2.88Å; T79-E111 VanDerWaalsContact OG1-CD 3.24Å; T79-E111 PolarHBondContact OG1-OE1 2.86Å; T79-E111 PolarHBondContact OG1-OE2 3.39Å
80G96Very high97.8Very high53 Ų5335 Ų3555%0.54619%0.187SC..THydrogen-bonded Turntrans77.58.117800000115.1R15 Y78 Q82R15-G80 WeakPolarHBondContact CD-O 3.47Å; Y78-G80 PolarHBondContact O-N 2.87Å; G80-Q82 PolarHBondContact O-N 3.45Å
81T97.9Very high98Very high11 Ų1134.8 Ų34.87%0.06719%0.192CC..  trans-66121.9174.5-57.30000110.1R15 L17 Y77 Y78 T79 G83 M112 A115R15-T81 VanDerWaalsContact NH1-CA 3.26Å; R15-T81 PolarHBondContact NH1-OG1 3.31Å; L17-T81 HydrophobicContact CB-CG2 3.59Å; Y77-T81 PolarHBondContact O-OG1 3.12Å; Y78-T81 VanDerWaalsContact O-CB 3.23Å; Y78-T81 WeakPolarHBondContact O-CB 3.32Å; Y78-T81 PolarHBondContact O-N 2.78Å; Y78-T81 PolarHBondContact O-OG1 2.93Å; T79-T81 VanDerWaalsContact C-N 3.32Å; T79-T81 PolarHBondContact O-N 2.76Å; T81-G83 WeakPolarHBondContact CG2-O 3.38Å; T81-M112 HydrophobicContact CG2-CE 3.93Å; T81-M112 HydrophobicContact CG2-SD 4.14Å; T81-A115 HydrophobicContact CG2-CB 4.23Å
82Q97.2Very high98Very high57 Ų5735.9 Ų35.927%0.26620%0.198SC..SBendtrans-92.5-30.2176.5-67.6170.7-7200111.6M14 R15 G80 A115 I116 Y173M14-Q82 HydrophobicContact CE-CB 4.3Å; M14-Q82 HydrophobicContact CG-CB 4.06Å; R15-Q82 PolarHBondContact O-N 3.28Å; G80-Q82 PolarHBondContact O-N 3.45Å; Q82-A115 WeakPolarHBondContact O-CA 3.3Å; Q82-I116 PolarHBondContact O-N 3.1Å; Q82-I116 VanDerWaalsContact O-N 3.15Å; Q82-Y173 HydrophobicContact CB-CE1 4.47Å; Q82-Y173 HydrophobicContact CB-CE2 3.84Å; Q82-Y173 HydrophobicContact CG-CE2 4.45Å; Q82-Y173 WeakPolarHBondContact CG-OH 3.24Å; Q82-Y173 PolarHBondContact NE2-OH 3.35Å
83G98.1Very high98.1Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-142.5138.517300000112.8R15 I16 L17 T81 I116R15-G83 PolarHBondContact O-N 2.78Å; I16-G83 VanDerWaalsContact CA-O 3.32Å; I16-G83 WeakPolarHBondContact CA-O 3.04Å; L17-G83 PolarHBondContact N-O 3.38Å; T81-G83 WeakPolarHBondContact CG2-O 3.38Å; G83-I116 CarbonylContact C-O 3.55Å; G83-I116 VanDerWaalsContact CA-O 3.27Å; G83-I116 WeakPolarHBondContact CA-O 3.48Å
84L98.8Very high98.2Very high1 Ų141.7 Ų41.71%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-93.4125.5168.5175.363000108.6L17 L19 F86 L103 I106 I107 M112 I116 I117 L118L17-L84 WeakPolarHBondContact O-CA 3.41Å; L19-L84 HydrophobicContact CB-CD1 4.17Å; L19-L84 HydrophobicContact CD1-CD1 3.99Å; L19-L84 HydrophobicContact CG-CD1 4.1Å; L84-F86 HydrophobicContact CD2-CB 4.48Å; L84-F86 HydrophobicContact CG-CB 4.37Å; L84-L103 HydrophobicContact CD2-CD1 4.14Å; L84-I106 HydrophobicContact CD1-CG2 4.37Å; L84-I106 HydrophobicContact CD2-CG2 3.87Å; L84-I107 HydrophobicContact CD2-CG2 3.99Å; L84-M112 HydrophobicContact CB-CE 3.84Å; L84-M112 HydrophobicContact CD1-CE 4.21Å; L84-M112 HydrophobicContact CD2-CE 4.26Å; L84-M112 HydrophobicContact CG-CE 4.33Å; L84-I116 PolarHBondContact N-O 3.45Å; L84-I117 HydrophobicContact CD2-CG2 4.39Å; L84-L118 PolarHBondContact O-N 2.99Å
85I98.9Very high98.2Very high2 Ų244.7 Ų44.71%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-100.6114.4159.3-63.8-178.9000107.2I16 L17 M18 L19 V87 L118 F120 L169I16-I85 HydrophobicContact CG2-CB 4.23Å; I16-I85 HydrophobicContact CG2-CD1 3.63Å; I16-I85 HydrophobicContact CG2-CG1 3.63Å; L17-I85 PolarHBondContact O-N 2.97Å; M18-I85 CarbonylContact C-O 3.56Å; M18-I85 VanDerWaalsContact CA-O 3.28Å; M18-I85 WeakPolarHBondContact CA-O 3.36Å; M18-I85 HydrophobicContact CB-CB 4.41Å; M18-I85 HydrophobicContact CE-CB 4.42Å; M18-I85 HydrophobicContact CE-CD1 4.04Å; M18-I85 HydrophobicContact CE-CG2 4.12Å; M18-I85 HydrophobicContact CG-CB 4.18Å; M18-I85 HydrophobicContact CG-CG2 4.07Å; L19-I85 PolarHBondContact N-O 3.18Å; I85-V87 HydrophobicContact CG2-CG2 3.99Å; I85-L118 CarbonylContact C-O 3.57Å; I85-L118 WeakPolarHBondContact CA-O 3.25Å; I85-L118 HydrophobicContact CD1-CD2 4.36Å; I85-L118 HydrophobicContact CG1-CB 4.33Å; I85-L118 HydrophobicContact CG1-CD2 4.22Å; 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 3.78Å; I85-F120 HydrophobicContact CG2-CG 4.47Å; I85-L169 HydrophobicContact CD1-CD1 3.93Å; I85-L169 HydrophobicContact CG1-CD1 4.02Å
86F98.9Very high98.3Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-105.6118.9174.1-164.5-97.8000109.5L19 L84 V88 A99 E102 L103 I106 L118 I119 F120L19-F86 HydrophobicContact CB-CD2 4.16Å; L19-F86 HydrophobicContact CB-CE2 4.5Å; L19-F86 CarbonylContact O-C 3.47Å; L19-F86 WeakPolarHBondContact O-CA 3.3Å; L84-F86 HydrophobicContact CD2-CB 4.48Å; L84-F86 HydrophobicContact CG-CB 4.37Å; F86-V88 HydrophobicContact CD1-CG2 3.79Å; F86-V88 HydrophobicContact CE1-CG2 3.9Å; F86-A99 HydrophobicContact CE1-CB 4.31Å; F86-A99 WeakPolarHBondContact CZ-O 3.35Å; F86-E102 HydrophobicContact CZ-CB 4.31Å; F86-L103 HydrophobicContact CB-CD1 4.11Å; F86-L103 HydrophobicContact CD1-CB 4.34Å; F86-L103 HydrophobicContact CD1-CD1 4.17Å; F86-L103 HydrophobicContact CD2-CD1 4.06Å; F86-L103 HydrophobicContact CE1-CB 3.99Å; F86-L103 HydrophobicContact CE2-CB 4.21Å; F86-L103 HydrophobicContact CG-CD1 3.86Å; F86-L103 HydrophobicContact CZ-CB 3.91Å; F86-I106 HydrophobicContact CD2-CD1 3.91Å; F86-I106 HydrophobicContact CE2-CD1 3.65Å; F86-L118 PolarHBondContact N-O 3.48Å; F86-I119 HydrophobicContact CB-CD1 3.68Å; F86-I119 HydrophobicContact CD1-CD1 4.36Å; F86-I119 HydrophobicContact CG-CD1 4.42Å; F86-I119 CarbonylContact O-C 3.59Å; F86-I119 VanDerWaalsContact O-CA 3.3Å; F86-I119 WeakPolarHBondContact O-CA 3.3Å; F86-F120 PolarHBondContact O-N 3.49Å
87V99Very high98.3Very high1 Ų136.8 Ų36.81%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-101.1129-175.1-172.20000109.7M18 L19 A24 K26 I29 I85 F120 N122M18-V87 HydrophobicContact CG-CG2 4Å; M18-V87 HydrophobicContact SD-CG2 4.23Å; L19-V87 PolarHBondContact O-N 3.1Å; A24-V87 HydrophobicContact CB-CB 4.33Å; A24-V87 HydrophobicContact CB-CG1 4.09Å; A24-V87 WeakPolarHBondContact CB-O 3.46Å; A24-V87 WeakPolarHBondContact O-CG1 3.39Å; K26-V87 HydrophobicContact CB-CG2 4.49Å; K26-V87 HydrophobicContact CG-CB 3.78Å; K26-V87 HydrophobicContact CG-CG1 4.44Å; K26-V87 HydrophobicContact CG-CG2 3.75Å; I29-V87 HydrophobicContact CD1-CG1 3.67Å; I29-V87 HydrophobicContact CD1-CG2 3.95Å; I85-V87 HydrophobicContact CG2-CG2 3.99Å; V87-F120 HydrophobicContact CG1-CB 4.43Å; V87-F120 HydrophobicContact CG2-CB 4.4Å; V87-F120 HydrophobicContact CG2-CD2 4.49Å; V87-N122 HydrophobicContact CG1-CB 3.84Å
88V98.9Very high98.4Very high5 Ų537.7 Ų37.73%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-120128-178.1179.80000108.8F86 C90 I96 I119 F120 N122 I135 L139F86-V88 HydrophobicContact CD1-CG2 3.79Å; F86-V88 HydrophobicContact CE1-CG2 3.9Å; V88-C90 PolarHBondContact O-N 3.31Å; V88-I96 HydrophobicContact CG1-CD1 3.92Å; V88-I119 HydrophobicContact CG2-CG2 3.99Å; V88-F120 PolarHBondContact N-O 3.34Å; V88-N122 WeakPolarHBondContact O-CA 3.37Å; V88-N122 WeakPolarHBondContact O-CB 3.38Å; V88-N122 PolarHBondContact O-N 3.3Å; V88-I135 HydrophobicContact CG1-CD1 3.93Å; V88-L139 HydrophobicContact CG2-CD1 3.96Å
89D98.8Very high98.4Very high21 Ų2137.4 Ų37.411%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-72.4111.8165.2-172.5-17.7000108.9A91 D92 K123D89-A91 VanDerWaalsContact C-N 3.29Å; D89-A91 PolarHBondContact O-N 3.04Å; D89-A91 WeakPolarHBondContact OD1-CB 3.47Å; D89-A91 PolarHBondContact OD1-N 2.79Å; D89-D92 HydrophobicContact CB-CB 3.78Å; D89-D92 PolarHBondContact O-N 3.5Å; D89-D92 PolarHBondContact OD1-N 2.83Å; D89-K123 WeakPolarHBondContact OD1-CD 3.4Å; D89-K123 VanDerWaalsContact OD2-CE 3.25Å; D89-K123 WeakPolarHBondContact OD2-CE 3.28Å; D89-K123 IonicContact OD2-NZ 3.96Å; D89-K123 PolarHBondContact OD2-NZ 2.98Å
90C98.9Very high98.5Very high0 Ų037.3 Ų37.30%020%0.195CC..SBendtrans-77.3-16.1-178.1-64.40000113.3V88 A121 N122 Q124 A129 M130V88-C90 PolarHBondContact O-N 3.31Å; C90-A121 WeakPolarHBondContact SG-CA 3.28Å; C90-A121 VanDerWaalsContact SG-CB 3.57Å; C90-N122 VanDerWaalsContact CB-O 3.22Å; C90-N122 WeakPolarHBondContact CB-O 3.37Å; C90-N122 PolarHBondContact N-O 3.17Å; C90-N122 PolarHBondContact SG-O 2.99Å; C90-Q124 PolarHBondContact SG-NE2 3.11Å; C90-A129 HydrophobicContact CB-CB 3.98Å; C90-A129 CarbonylContact O-C 3.57Å; C90-A129 WeakPolarHBondContact O-CA 3.28Å; C90-M130 HydrophobicContact CB-CB 4.25Å; C90-M130 WeakPolarHBondContact CB-O 3.38Å; C90-M130 WeakPolarHBondContact O-CE 3.49Å; C90-M130 WeakPolarHBondContact O-CG 3.36Å; C90-M130 PolarHBondContact O-N 3.37Å
91A98.5Very high98.6Very high38 Ų3840.1 Ų40.131%0.31419%0.194SC..SBendtrans-84-18.2174.100000112.2D89 R93 L126D89-A91 VanDerWaalsContact C-N 3.29Å; D89-A91 PolarHBondContact O-N 3.04Å; D89-A91 WeakPolarHBondContact OD1-CB 3.47Å; D89-A91 PolarHBondContact OD1-N 2.79Å; A91-R93 PolarHBondContact O-N 2.84Å; A91-R93 VanDerWaalsContact O-N 3.12Å; A91-L126 HydrophobicContact CB-CB 3.96Å; A91-L126 HydrophobicContact CB-CD1 3.74Å
92D98.4Very high98.6Very high30 Ų3040 Ų4016%0.1619%0.193CC..  trans-87.476.9-179.9-165.9-21.3000111.6D89 D94 R95D89-D92 HydrophobicContact CB-CB 3.78Å; D89-D92 PolarHBondContact O-N 3.5Å; D89-D92 PolarHBondContact OD1-N 2.83Å; D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 2.78Å; D92-R95 WeakPolarHBondContact OD1-CB 3.3Å; D92-R95 PolarHBondContact OD1-N 2.84Å; D92-R95 VanDerWaalsContact OD1-N 3.08Å; D92-R95 IonicContact OD1-NE 3.3Å; D92-R95 IonicContact OD2-CZ 3.04Å; D92-R95 IonicContact OD2-NE 2.69Å; D92-R95 PolarHBondContact OD2-NE 3.07Å; D92-R95 IonicContact OD2-NH2 2.64Å; D92-R95 PolarHBondContact OD2-NH2 2.84Å
93R98.3Very high98.7Very high107 Ų10737.3 Ų37.340%0.40418%0.181SC..  trans-67.9-27.4178.1-69.5175.9170.4-80.5-7.2112.5A91 I96 D128 M130 E134A91-R93 PolarHBondContact O-N 2.84Å; A91-R93 VanDerWaalsContact O-N 3.12Å; R93-I96 VanDerWaalsContact O-CG2 3.28Å; R93-I96 WeakPolarHBondContact O-CG2 3.29Å; R93-D128 PolarHBondContact NE-O 2.86Å; R93-D128 VanDerWaalsContact NE-O 3.09Å; R93-D128 PolarHBondContact NH2-O 2.82Å; R93-M130 HydrophobicContact CG-CE 4.08Å; R93-M130 HydrophobicContact CG-CG 4.04Å; R93-M130 HydrophobicContact CG-SD 4.09Å; R93-M130 VanDerWaalsContact CZ-CG 3.49Å; R93-E134 IonicContact CZ-OE1 3.12Å; R93-E134 IonicContact CZ-OE2 2.8Å; R93-E134 IonicContact NH1-OE1 2.88Å; R93-E134 PolarHBondContact NH1-OE1 3.04Å; R93-E134 IonicContact NH1-OE2 3.8Å; R93-E134 IonicContact NH2-OE1 3.85Å; R93-E134 IonicContact NH2-OE2 3.82Å; R93-E134 PolarHBondContact NH2-OE2 3.33Å
94D98.5Very high98.7Very high159 Ų15939.1 Ų39.185%0.8519%0.189SC*.THydrogen-bonded Turntrans-70.4-33.8-176-66.3-24000112.2D92D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 2.78Å
95R98.6Very high98.7Very high63 Ų6345.4 Ų45.424%0.23821%0.212CC..THydrogen-bonded Turntrans-102.211.8-178-60.7-169.3-65.8164.94114.5L21 D22 D92 D97 E98 A99L21-R95 HydrophobicContact CD1-CB 3.73Å; D22-R95 VanDerWaalsContact CG-NH1 3.34Å; D22-R95 PolarHBondContact O-NH2 3.31Å; D22-R95 IonicContact OD1-NH1 3.57Å; D22-R95 PolarHBondContact OD1-NH1 3.36Å; D22-R95 IonicContact OD2-CZ 3.65Å; D22-R95 IonicContact OD2-NH1 3.55Å; D22-R95 PolarHBondContact OD2-NH1 3.03Å; D22-R95 IonicContact OD2-NH2 3.14Å; D92-R95 WeakPolarHBondContact OD1-CB 3.3Å; D92-R95 PolarHBondContact OD1-N 2.84Å; D92-R95 VanDerWaalsContact OD1-N 3.08Å; D92-R95 IonicContact OD1-NE 3.3Å; D92-R95 IonicContact OD2-CZ 3.04Å; D92-R95 IonicContact OD2-NE 2.69Å; D92-R95 PolarHBondContact OD2-NE 3.07Å; D92-R95 IonicContact OD2-NH2 2.64Å; D92-R95 PolarHBondContact OD2-NH2 2.84Å; R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 2.87Å; R95-E98 HydrophobicContact CB-CB 4.44Å; R95-E98 WeakPolarHBondContact CD-OE2 3.42Å; R95-E98 WeakPolarHBondContact CG-OE2 3.39Å; R95-E98 WeakPolarHBondContact O-CB 3.44Å; R95-E98 PolarHBondContact O-N 2.77Å; R95-A99 PolarHBondContact O-N 2.9Å
96I98.7Very high98.7Very high10 Ų1045.3 Ų45.35%0.05121%0.212CC..Hα-helixtrans-64.1-35.9-179.1-167.957.5000113V88 R93 E98 A99 R100 M130 I135 K138 L139V88-I96 HydrophobicContact CG1-CD1 3.92Å; R93-I96 VanDerWaalsContact O-CG2 3.28Å; R93-I96 WeakPolarHBondContact O-CG2 3.29Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-A99 PolarHBondContact O-N 3.16Å; I96-R100 PolarHBondContact O-N 3.29Å; I96-M130 HydrophobicContact CB-CE 4.13Å; I96-M130 HydrophobicContact CB-SD 4.39Å; I96-M130 HydrophobicContact CD1-CE 4Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.11Å; I96-M130 HydrophobicContact CG1-SD 4.09Å; I96-I135 HydrophobicContact CD1-CD1 4.12Å; I96-K138 HydrophobicContact CD1-CB 4.35Å; I96-K138 HydrophobicContact CG1-CB 3.63Å; I96-K138 HydrophobicContact CG1-CG 4.22Å; I96-K138 HydrophobicContact CG2-CD 4.39Å; I96-L139 HydrophobicContact CD1-CD2 3.89Å; I96-L139 HydrophobicContact CD1-CG 4.42Å
97D98.7Very high98.6Very high76 Ų7645.7 Ų45.741%0.40621%0.214SC..Hα-helixtrans-69.8-32.8176.9-79.9-39.2000112.1R95 R100 Q101R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 2.87Å; D97-R100 IonicContact OD1-CZ 3.07Å; D97-R100 IonicContact OD1-NE 3.97Å; D97-R100 IonicContact OD1-NH1 3.14Å; D97-R100 PolarHBondContact OD1-NH1 3.26Å; D97-R100 VanDerWaalsContact OD1-NH1 3.14Å; D97-R100 IonicContact OD1-NH2 2.73Å; D97-R100 PolarHBondContact OD1-NH2 3.1Å; D97-Q101 VanDerWaalsContact O-CG 3.3Å; D97-Q101 WeakPolarHBondContact O-CG 3.46Å; D97-Q101 PolarHBondContact O-N 3.34Å; D97-Q101 PolarHBondContact O-NE2 2.94Å
98E98.8Very high98.5Very high55 Ų5551.8 Ų51.826%0.25725%0.246SC..Hα-helixtrans-66.9-47.3172.2-176.1-175.818000110L21 R71 R95 I96 R100 Q101 E102L21-E98 HydrophobicContact CD1-CB 4.24Å; L21-E98 HydrophobicContact CD1-CG 4.16Å; L21-E98 HydrophobicContact CD2-CG 4.14Å; R71-E98 IonicContact CZ-OE1 2.68Å; R71-E98 IonicContact NH1-OE1 3.25Å; R71-E98 PolarHBondContact NH1-OE1 3.45Å; R71-E98 IonicContact NH2-OE1 2.73Å; R71-E98 PolarHBondContact NH2-OE1 2.83Å; R95-E98 HydrophobicContact CB-CB 4.44Å; R95-E98 WeakPolarHBondContact CD-OE2 3.42Å; R95-E98 WeakPolarHBondContact CG-OE2 3.39Å; R95-E98 WeakPolarHBondContact O-CB 3.44Å; R95-E98 PolarHBondContact O-N 2.77Å; I96-E98 VanDerWaalsContact C-N 3.33Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.35Å; E98-Q101 PolarHBondContact O-N 3.48Å; E98-Q101 VanDerWaalsContact O-N 3.09Å; E98-E102 WeakPolarHBondContact O-CG 3.47Å; E98-E102 PolarHBondContact O-N 3.23Å
99A98.9Very high98.4Very high5 Ų554 Ų544%0.04126%0.258CS..Hα-helixtrans-58.1-40.2174.700000112.1L21 F86 R95 I96 L103 L139L21-A99 HydrophobicContact CD1-CB 3.92Å; L21-A99 HydrophobicContact CG-CB 4.07Å; F86-A99 HydrophobicContact CE1-CB 4.31Å; F86-A99 WeakPolarHBondContact CZ-O 3.35Å; R95-A99 PolarHBondContact O-N 2.9Å; I96-A99 PolarHBondContact O-N 3.16Å; A99-L103 WeakPolarHBondContact O-CB 3.45Å; A99-L103 PolarHBondContact O-N 2.94Å; A99-L139 HydrophobicContact CB-CD2 4.34Å
100R98.9Very high98.3Very high89 Ų8963 Ų6334%0.33629%0.291SS..Hα-helixtrans-59.5-51.3172.2178.3-176.661.4-145.7-3.1111.1I96 D97 E98 E102 L103 H104 K138 L139I96-R100 PolarHBondContact O-N 3.29Å; D97-R100 IonicContact OD1-CZ 3.07Å; D97-R100 IonicContact OD1-NE 3.97Å; D97-R100 IonicContact OD1-NH1 3.14Å; D97-R100 PolarHBondContact OD1-NH1 3.26Å; D97-R100 VanDerWaalsContact OD1-NH1 3.14Å; D97-R100 IonicContact OD1-NH2 2.73Å; D97-R100 PolarHBondContact OD1-NH2 3.1Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.35Å; R100-E102 VanDerWaalsContact C-N 3.29Å; R100-E102 PolarHBondContact O-N 3.41Å; R100-L103 PolarHBondContact O-N 3.43Å; R100-H104 PolarHBondContact O-CD2 3.42Å; R100-H104 VanDerWaalsContact O-CD2 3.23Å; R100-H104 PolarHBondContact O-N 3.38Å; R100-K138 VanDerWaalsContact CD-O 3.3Å; R100-K138 WeakPolarHBondContact CD-O 3.28Å; R100-L139 HydrophobicContact CB-CD2 4.15Å
101Q98.7Very high98.3Very high112 Ų11266.5 Ų66.552%0.52331%0.307SS..Hα-helixtrans-58.7-43.6-178.2-73.5171.454.200111.6D97 E98 H104 R105D97-Q101 VanDerWaalsContact O-CG 3.3Å; D97-Q101 WeakPolarHBondContact O-CG 3.46Å; D97-Q101 PolarHBondContact O-N 3.34Å; D97-Q101 PolarHBondContact O-NE2 2.94Å; E98-Q101 PolarHBondContact O-N 3.48Å; E98-Q101 VanDerWaalsContact O-N 3.09Å; Q101-H104 PolarHBondContact O-N 3.2Å; Q101-R105 WeakPolarHBondContact O-CB 3.36Å; Q101-R105 PolarHBondContact O-N 2.92Å
102E98.8Very high98.2Very high10 Ų1064.7 Ų64.75%0.04729%0.292CS..Hα-helixtrans-62.2-48.7175.9-71.4-45.2120.800112.2L21 W74 F86 E98 R100 H104 R105 I106L21-E102 HydrophobicContact CD2-CB 4.4Å; L21-E102 HydrophobicContact CD2-CG 3.79Å; W74-E102 HydrophobicContact CH2-CB 4.32Å; W74-E102 HydrophobicContact CH2-CG 4.35Å; W74-E102 HydrophobicContact CZ3-CB 3.93Å; W74-E102 HydrophobicContact CZ3-CG 4.19Å; W74-E102 WeakPolarHBondContact CZ3-OE2 3.5Å; F86-E102 HydrophobicContact CZ-CB 4.31Å; E98-E102 WeakPolarHBondContact O-CG 3.47Å; E98-E102 PolarHBondContact O-N 3.23Å; R100-E102 VanDerWaalsContact C-N 3.29Å; R100-E102 PolarHBondContact O-N 3.41Å; E102-H104 PolarHBondContact O-N 2.93Å; E102-R105 PolarHBondContact O-N 3.37Å; E102-R105 IonicContact OE1-CZ 3.16Å; E102-R105 IonicContact OE1-NH1 2.65Å; E102-R105 PolarHBondContact OE1-NH1 3.44Å; E102-R105 IonicContact OE1-NH2 2.89Å; E102-R105 PolarHBondContact OE1-NH2 3.41Å; E102-R105 IonicContact OE2-CZ 3.76Å; E102-R105 IonicContact OE2-NH1 2.76Å; E102-R105 PolarHBondContact OE2-NH1 2.92Å; E102-I106 WeakPolarHBondContact O-CD1 3.16Å; E102-I106 VanDerWaalsContact O-CG1 3.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.5Å; E102-I106 PolarHBondContact O-N 3Å
103L98.8Very high98Very high0 Ų071.5 Ų71.50%032%0.316CS..Hα-helixtrans-55.9-51.1176.517665.3000111.2L84 F86 A99 R100 R105 I106 I107 I119 L139 L141L84-L103 HydrophobicContact CD2-CD1 4.14Å; F86-L103 HydrophobicContact CB-CD1 4.11Å; F86-L103 HydrophobicContact CD1-CB 4.34Å; F86-L103 HydrophobicContact CD1-CD1 4.17Å; F86-L103 HydrophobicContact CD2-CD1 4.06Å; F86-L103 HydrophobicContact CE1-CB 3.99Å; F86-L103 HydrophobicContact CE2-CB 4.21Å; F86-L103 HydrophobicContact CG-CD1 3.86Å; F86-L103 HydrophobicContact CZ-CB 3.91Å; A99-L103 WeakPolarHBondContact O-CB 3.45Å; A99-L103 PolarHBondContact O-N 2.94Å; R100-L103 PolarHBondContact O-N 3.43Å; L103-R105 VanDerWaalsContact C-N 3.28Å; L103-R105 PolarHBondContact O-N 3.49Å; L103-I106 PolarHBondContact O-N 3.27Å; L103-I107 HydrophobicContact CD1-CG2 3.83Å; L103-I107 HydrophobicContact CG-CG2 4.4Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG2 3.2Å; L103-I107 PolarHBondContact O-N 2.93Å; L103-I119 HydrophobicContact CD1-CD1 4.15Å; L103-I119 HydrophobicContact CD2-CD1 4.18Å; L103-L139 HydrophobicContact CD2-CB 4.11Å; L103-L139 HydrophobicContact CD2-CD1 4.14Å; L103-L141 HydrophobicContact CD2-CD2 3.55Å
104H98.4Very high97.8Very high38 Ų3873.1 Ų73.118%0.17633%0.332CS..Hα-helixtrans-64.8-32.8-179.2-80.4-84.9000112.1R100 Q101 E102 N108 L139R100-H104 PolarHBondContact O-CD2 3.42Å; R100-H104 VanDerWaalsContact O-CD2 3.23Å; R100-H104 PolarHBondContact O-N 3.38Å; Q101-H104 PolarHBondContact O-N 3.2Å; E102-H104 PolarHBondContact O-N 2.93Å; H104-N108 VanDerWaalsContact O-CB 3.31Å; H104-N108 WeakPolarHBondContact O-CB 3.47Å; H104-N108 VanDerWaalsContact O-CG 3.3Å; H104-N108 PolarHBondContact O-N 3.18Å; H104-N108 PolarHBondContact O-ND2 3.4Å; H104-L139 PolarHBondContact NE2-O 3.12Å
105R98.2Very high97.7Very high132 Ų13265.6 Ų65.650%0.49829%0.292SS..Hα-helixtrans-66-42.7173.3-166.6-175.7-54.9128.89.1111.9Q101 E102 L103Q101-R105 WeakPolarHBondContact O-CB 3.36Å; Q101-R105 PolarHBondContact O-N 2.92Å; E102-R105 PolarHBondContact O-N 3.37Å; E102-R105 IonicContact OE1-CZ 3.16Å; E102-R105 IonicContact OE1-NH1 2.65Å; E102-R105 PolarHBondContact OE1-NH1 3.44Å; E102-R105 IonicContact OE1-NH2 2.89Å; E102-R105 PolarHBondContact OE1-NH2 3.41Å; E102-R105 IonicContact OE2-CZ 3.76Å; E102-R105 IonicContact OE2-NH1 2.76Å; E102-R105 PolarHBondContact OE2-NH1 2.92Å; L103-R105 VanDerWaalsContact C-N 3.28Å; L103-R105 PolarHBondContact O-N 3.49Å
106I98.5Very high97.6Very high1 Ų163 Ų631%0.00528%0.283CS..Hα-helixtrans-64.2-53.2178.5-64.5154.7000110.6L19 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 3.93Å; L19-I106 HydrophobicContact CD1-CG2 4.14Å; L19-I106 HydrophobicContact CG-CD1 4.5Å; W74-I106 HydrophobicContact CE3-CD1 3.75Å; W74-I106 HydrophobicContact CE3-CG1 3.96Å; W74-I106 HydrophobicContact CZ3-CD1 3.62Å; W74-I106 HydrophobicContact CZ3-CG1 4.23Å; Y78-I106 HydrophobicContact CE1-CG2 4.1Å; Y78-I106 WeakPolarHBondContact OH-CG1 3.36Å; L84-I106 HydrophobicContact CD1-CG2 4.37Å; L84-I106 HydrophobicContact CD2-CG2 3.87Å; F86-I106 HydrophobicContact CD2-CD1 3.91Å; F86-I106 HydrophobicContact CE2-CD1 3.65Å; E102-I106 WeakPolarHBondContact O-CD1 3.16Å; E102-I106 VanDerWaalsContact O-CG1 3.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.5Å; E102-I106 PolarHBondContact O-N 3Å; L103-I106 PolarHBondContact O-N 3.27Å; I106-N108 VanDerWaalsContact C-N 3.27Å; I106-N108 PolarHBondContact O-N 3.14Å; I106-D109 WeakPolarHBondContact O-CB 3.42Å; I106-D109 PolarHBondContact O-N 3.09Å; I106-D109 VanDerWaalsContact O-N 3.1Å; I106-M112 HydrophobicContact CG2-CE 3.86Å; I106-M112 HydrophobicContact CG2-CG 4.05Å; I106-M112 WeakPolarHBondContact O-CB 3.36Å; I106-M112 WeakPolarHBondContact O-CG 3.19Å
107I97.3Very high97.6Very high8 Ų862.5 Ų62.54%0.04128%0.28CS..Hα-helixtrans-71.8-22.2-168.867.2-179.8000113.4L84 L103 D109 I117 I144 R147L84-I107 HydrophobicContact CD2-CG2 3.99Å; L103-I107 HydrophobicContact CD1-CG2 3.83Å; L103-I107 HydrophobicContact CG-CG2 4.4Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG2 3.2Å; L103-I107 PolarHBondContact O-N 2.93Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-I117 HydrophobicContact CB-CD1 4.41Å; I107-I117 HydrophobicContact CG2-CD1 3.74Å; I107-I117 HydrophobicContact CG2-CG1 4.42Å; I107-I144 HydrophobicContact CD1-CD1 3.34Å; I107-I144 HydrophobicContact CD1-CG1 3.63Å; I107-R147 VanDerWaalsContact CA-NH2 3.32Å; I107-R147 PolarHBondContact O-NH1 2.92Å; I107-R147 PolarHBondContact O-NH2 3.07Å
108N96.5Very high97.6Very high128 Ų12858.9 Ų58.968%0.68426%0.261SS*.THydrogen-bonded Turntrans-86.2-3.9175.5-71.6-45.3000112.8H104 I106H104-N108 VanDerWaalsContact O-CB 3.31Å; H104-N108 WeakPolarHBondContact O-CB 3.47Å; H104-N108 VanDerWaalsContact O-CG 3.3Å; H104-N108 PolarHBondContact O-N 3.18Å; H104-N108 PolarHBondContact O-ND2 3.4Å; I106-N108 VanDerWaalsContact C-N 3.27Å; I106-N108 PolarHBondContact O-N 3.14Å
109D98Very high97.6Very high51 Ų5156.3 Ų56.327%0.27325%0.249SC..SBendtrans-70.1135.8170.1-163.8-63.4000110.2Y78 I106 I107 E111 M112 R113Y78-D109 HydrophobicContact CD2-CB 3.75Å; Y78-D109 VanDerWaalsContact CD2-CG 3.48Å; Y78-D109 HydrophobicContact CE2-CB 3.67Å; I106-D109 WeakPolarHBondContact O-CB 3.42Å; I106-D109 PolarHBondContact O-N 3.09Å; I106-D109 VanDerWaalsContact O-N 3.1Å; I107-D109 VanDerWaalsContact C-N 3.33Å; D109-E111 PolarHBondContact O-N 2.95Å; D109-E111 VanDerWaalsContact O-N 3.17Å; D109-E111 PolarHBondContact OD1-N 2.94Å; D109-M112 HydrophobicContact CB-CG 4.36Å; D109-M112 PolarHBondContact O-N 3.46Å; D109-R113 PolarHBondContact O-N 2.94Å
110R96.8Very high97.7Very high211 Ų21156 Ų5680%0.79625%0.247SC*.G310 helixtrans-56.5-32.5-17967.3-176.7-177.7-179.50.6112.9M112 R113R110-M112 PolarHBondContact O-N 2.92Å; R110-R113 WeakPolarHBondContact O-CB 3.05Å; R110-R113 PolarHBondContact O-N 3.04Å
111E97.8Very high97.7Very high74 Ų7451.8 Ų51.835%0.34623%0.231SC..G310 helixtrans-76-16.3-179-64-166.4169.500112.7T79 D109T79-E111 WeakPolarHBondContact CA-OE2 3.44Å; T79-E111 PolarHBondContact N-OE2 2.88Å; T79-E111 VanDerWaalsContact OG1-CD 3.24Å; T79-E111 PolarHBondContact OG1-OE1 2.86Å; T79-E111 PolarHBondContact OG1-OE2 3.39Å; D109-E111 PolarHBondContact O-N 2.95Å; D109-E111 VanDerWaalsContact O-N 3.17Å; D109-E111 PolarHBondContact OD1-N 2.94Å
112M97.6Very high97.7Very high0 Ų046.6 Ų46.60%021%0.206CC..G310 helixtrans-98.32.6178.3-65-62.4-65.500112.5L17 Y78 T81 L84 I106 D109 R110 D114 A115 R147L17-M112 HydrophobicContact CD2-SD 4.44Å; Y78-M112 HydrophobicContact CD1-CG 4.02Å; Y78-M112 HydrophobicContact CD1-SD 3.79Å; Y78-M112 HydrophobicContact CD2-CG 3.83Å; Y78-M112 HydrophobicContact CE1-CG 4.5Å; Y78-M112 HydrophobicContact CE2-CG 4.32Å; Y78-M112 HydrophobicContact CG-CG 3.67Å; Y78-M112 HydrophobicContact CG-SD 3.79Å; T81-M112 HydrophobicContact CG2-CE 3.93Å; T81-M112 HydrophobicContact CG2-SD 4.14Å; L84-M112 HydrophobicContact CB-CE 3.84Å; L84-M112 HydrophobicContact CD1-CE 4.21Å; L84-M112 HydrophobicContact CD2-CE 4.26Å; L84-M112 HydrophobicContact CG-CE 4.33Å; I106-M112 HydrophobicContact CG2-CE 3.86Å; I106-M112 HydrophobicContact CG2-CG 4.05Å; I106-M112 WeakPolarHBondContact O-CB 3.36Å; I106-M112 WeakPolarHBondContact O-CG 3.19Å; D109-M112 HydrophobicContact CB-CG 4.36Å; D109-M112 PolarHBondContact O-N 3.46Å; R110-M112 PolarHBondContact O-N 2.92Å; M112-D114 PolarHBondContact O-N 3.37Å; M112-D114 VanDerWaalsContact O-N 3.13Å; M112-A115 HydrophobicContact CE-CB 3.9Å; M112-A115 PolarHBondContact O-N 2.89Å; M112-A115 VanDerWaalsContact O-N 3.13Å; M112-R147 PolarHBondContact O-NH1 3.22Å; M112-R147 PolarHBondContact O-NH2 3.45Å; M112-R147 VanDerWaalsContact O-NH2 3.08Å
113R94Very high97.7Very high173 Ų17348.3 Ų48.365%0.65321%0.214SC*.THydrogen-bonded Turntrans-55.8-33-171-178.8177.9177.1-179.9-0.3114.4D109 R110 R147D109-R113 PolarHBondContact O-N 2.94Å; R110-R113 WeakPolarHBondContact O-CB 3.05Å; R110-R113 PolarHBondContact O-N 3.04Å; R113-R147 WeakPolarHBondContact O-CD 3.18Å; R113-R147 PolarHBondContact O-NH1 3.3Å
114D92.8Very high97.6Very high140 Ų14050.1 Ų50.175%0.74922%0.222SC*.THydrogen-bonded Turntrans-106.80-175.2-58.3-43000112.8M112 I116M112-D114 PolarHBondContact O-N 3.37Å; M112-D114 VanDerWaalsContact O-N 3.13Å; D114-I116 PolarHBondContact O-N 2.8Å
115A96.9Very high97.6Very high1 Ų152.9 Ų52.91%0.00824%0.238CC..  trans-74.3123.2-176.800000111.3T81 Q82 M112 R147T81-A115 HydrophobicContact CG2-CB 4.23Å; Q82-A115 WeakPolarHBondContact O-CA 3.3Å; M112-A115 HydrophobicContact CE-CB 3.9Å; M112-A115 PolarHBondContact O-N 2.89Å; M112-A115 VanDerWaalsContact O-N 3.13Å; A115-R147 WeakPolarHBondContact O-CD 3.36Å; A115-R147 PolarHBondContact O-NE 3.41Å
116I97.6Very high97.7Very high9 Ų949.7 Ų49.75%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-64.5142.8170.8-171.2169.5000110.4M14 Q82 G83 L84 D114 N148 W168 L169 N172 Y173M14-I116 HydrophobicContact CE-CG2 3.61Å; Q82-I116 PolarHBondContact O-N 3.1Å; Q82-I116 VanDerWaalsContact O-N 3.15Å; G83-I116 CarbonylContact C-O 3.55Å; G83-I116 VanDerWaalsContact CA-O 3.27Å; G83-I116 WeakPolarHBondContact CA-O 3.48Å; L84-I116 PolarHBondContact N-O 3.45Å; D114-I116 PolarHBondContact O-N 2.8Å; I116-N148 HydrophobicContact CD1-CB 4.16Å; I116-N148 HydrophobicContact CG1-CB 4.08Å; I116-W168 HydrophobicContact CD1-CE3 4.44Å; I116-W168 HydrophobicContact CD1-CH2 3.52Å; I116-W168 HydrophobicContact CD1-CZ2 4.13Å; I116-W168 HydrophobicContact CD1-CZ3 3.7Å; I116-W168 HydrophobicContact CG1-CH2 3.46Å; I116-W168 VanDerWaalsContact CG1-CH2 3.46Å; I116-W168 HydrophobicContact CG1-CZ2 4.43Å; I116-W168 HydrophobicContact CG1-CZ3 3.69Å; I116-L169 HydrophobicContact CG2-CD2 3.67Å; I116-N172 VanDerWaalsContact CD1-C 3.5Å; I116-N172 HydrophobicContact CD1-CB 3.56Å; I116-N172 WeakPolarHBondContact CD1-O 3.33Å; I116-Y173 HydrophobicContact CG2-CD2 4.01Å
117I98.6Very high97.6Very high0 Ų054.6 Ų54.60%026%0.263CS..EExtended strand (participates in β ladder)trans-113.3112.8-171-54.9164.3000110.5L84 I107 I119 I144 N148 W149 Y150 W168L84-I117 HydrophobicContact CD2-CG2 4.39Å; I107-I117 HydrophobicContact CB-CD1 4.41Å; I107-I117 HydrophobicContact CG2-CD1 3.74Å; I107-I117 HydrophobicContact CG2-CG1 4.42Å; I117-I119 HydrophobicContact CG2-CD1 3.63Å; I117-I119 HydrophobicContact CG2-CG1 4.33Å; I117-I144 HydrophobicContact CD1-CD1 4.33Å; I117-I144 HydrophobicContact CD1-CG2 4.27Å; I117-N148 PolarHBondContact N-O 2.99Å; I117-N148 VanDerWaalsContact N-O 3.09Å; I117-W149 HydrophobicContact CB-CB 3.87Å; I117-W149 HydrophobicContact CG2-CB 4.3Å; I117-W149 CarbonylContact O-C 3.47Å; I117-W149 WeakPolarHBondContact O-CA 3.31Å; I117-Y150 PolarHBondContact O-N 2.81Å; I117-W168 VanDerWaalsContact O-CH2 3.3Å; I117-W168 WeakPolarHBondContact O-CH2 3.49Å; I117-W168 WeakPolarHBondContact O-CZ3 3.37Å
118L98.8Very high97.4Very high0 Ų060.7 Ų60.70%030%0.295CS..EExtended strand (participates in β ladder)trans-101.7126165.8176.666.1000109L84 I85 F86 F120 Y150 Q152 W168 L169L84-L118 PolarHBondContact O-N 2.99Å; I85-L118 CarbonylContact C-O 3.57Å; I85-L118 WeakPolarHBondContact CA-O 3.25Å; I85-L118 HydrophobicContact CD1-CD2 4.36Å; I85-L118 HydrophobicContact CG1-CB 4.33Å; I85-L118 HydrophobicContact CG1-CD2 4.22Å; F86-L118 PolarHBondContact N-O 3.48Å; L118-F120 HydrophobicContact CD2-CD2 4.38Å; L118-F120 HydrophobicContact CD2-CE1 4.07Å; L118-F120 HydrophobicContact CD2-CE2 3.84Å; L118-F120 HydrophobicContact CD2-CZ 3.67Å; L118-Y150 HydrophobicContact CD1-CD1 3.88Å; L118-Q152 HydrophobicContact CD1-CB 3.94Å; L118-W168 HydrophobicContact CB-CE3 4.22Å; L118-W168 HydrophobicContact CB-CZ3 4.03Å; L118-W168 HydrophobicContact CD1-CE3 3.93Å; L118-W168 HydrophobicContact CD1-CZ3 4.39Å; L118-L169 HydrophobicContact CB-CD1 4.26Å; L118-L169 HydrophobicContact CB-CD2 3.94Å; L118-L169 HydrophobicContact CB-CG 4.06Å; L118-L169 HydrophobicContact CD2-CD1 3.7Å; L118-L169 HydrophobicContact CD2-CG 3.96Å
119I98.9Very high97.5Very high0 Ų054.9 Ų54.90%027%0.265CS..EExtended strand (participates in β ladder)trans-99.7118.5169.3-48.5-59.4000108F86 V88 L103 I117 A121 I135 L139 L141 Y150 V151 Q152F86-I119 HydrophobicContact CB-CD1 3.68Å; F86-I119 HydrophobicContact CD1-CD1 4.36Å; F86-I119 HydrophobicContact CG-CD1 4.42Å; F86-I119 CarbonylContact O-C 3.59Å; F86-I119 VanDerWaalsContact O-CA 3.3Å; F86-I119 WeakPolarHBondContact O-CA 3.3Å; V88-I119 HydrophobicContact CG2-CG2 3.99Å; L103-I119 HydrophobicContact CD1-CD1 4.15Å; L103-I119 HydrophobicContact CD2-CD1 4.18Å; I117-I119 HydrophobicContact CG2-CD1 3.63Å; I117-I119 HydrophobicContact CG2-CG1 4.33Å; I119-A121 PolarHBondContact O-N 3.49Å; I119-I135 HydrophobicContact CG2-CG2 4.17Å; I119-L139 HydrophobicContact CG2-CD1 3.96Å; I119-L141 HydrophobicContact CG1-CD1 4.01Å; I119-L141 HydrophobicContact CG1-CD2 4.42Å; I119-Y150 PolarHBondContact N-O 2.9Å; 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 4.46Å; I119-V151 WeakPolarHBondContact O-CA 3.34Å; I119-Q152 PolarHBondContact O-N 2.98Å
120F98.9Very high97.5Very high0 Ų052.5 Ų52.50%025%0.252CS..EExtended strand (participates in β ladder)trans-86.4108.8164.1-81.4-53.1000108.9I29 I85 F86 V87 V88 L118 N122 Q152 L162I29-F120 HydrophobicContact CD1-CB 4.21Å; I29-F120 HydrophobicContact CD1-CD2 3.99Å; I29-F120 HydrophobicContact CD1-CG 4.26Å; I29-F120 HydrophobicContact CG2-CD2 4.44Å; I29-F120 HydrophobicContact CG2-CE2 4.21Å; 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 3.78Å; I85-F120 HydrophobicContact CG2-CG 4.47Å; F86-F120 PolarHBondContact O-N 3.49Å; V87-F120 HydrophobicContact CG1-CB 4.43Å; V87-F120 HydrophobicContact CG2-CB 4.4Å; V87-F120 HydrophobicContact CG2-CD2 4.49Å; V88-F120 PolarHBondContact N-O 3.34Å; L118-F120 HydrophobicContact CD2-CD2 4.38Å; L118-F120 HydrophobicContact CD2-CE1 4.07Å; L118-F120 HydrophobicContact CD2-CE2 3.84Å; L118-F120 HydrophobicContact CD2-CZ 3.67Å; F120-N122 PolarHBondContact O-N 2.94Å; F120-Q152 HydrophobicContact CD1-CB 4Å; F120-Q152 HydrophobicContact CD1-CG 4.04Å; F120-Q152 HydrophobicContact CE1-CB 4.11Å; F120-Q152 HydrophobicContact CE1-CG 3.83Å; F120-L162 HydrophobicContact CD1-CD2 4.3Å; F120-L162 HydrophobicContact CE1-CD2 4.01Å; F120-L162 HydrophobicContact CE2-CD2 4.41Å; F120-L162 HydrophobicContact CZ-CD2 4.07Å
121A98.9Very high97.6Very high0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans-77.780.9168.400000107.9C90 I119 Q124 I135 V151 Q152 S154C90-A121 WeakPolarHBondContact SG-CA 3.28Å; C90-A121 VanDerWaalsContact SG-CB 3.57Å; I119-A121 PolarHBondContact O-N 3.49Å; A121-Q124 VanDerWaalsContact O-CG 3.29Å; A121-Q124 WeakPolarHBondContact O-CG 3.34Å; A121-Q124 PolarHBondContact O-NE2 3.26Å; A121-I135 HydrophobicContact CB-CG1 4.14Å; A121-V151 HydrophobicContact CB-CG1 3.79Å; A121-Q152 PolarHBondContact N-O 3.32Å; A121-S154 PolarHBondContact O-N 3.15Å
122N98.9Very high97.6Very high2 Ų245.3 Ų45.31%0.01123%0.229CC..EExtended strand (participates in β ladder)trans-85.2161.9-167.5-168.939.3000113.1A24 V87 V88 C90 F120 S154 A156A24-N122 PolarHBondContact O-ND2 2.94Å; V87-N122 HydrophobicContact CG1-CB 3.84Å; V88-N122 WeakPolarHBondContact O-CA 3.37Å; V88-N122 WeakPolarHBondContact O-CB 3.38Å; V88-N122 PolarHBondContact O-N 3.3Å; C90-N122 VanDerWaalsContact CB-O 3.22Å; C90-N122 WeakPolarHBondContact CB-O 3.37Å; C90-N122 PolarHBondContact N-O 3.17Å; C90-N122 PolarHBondContact SG-O 2.99Å; F120-N122 PolarHBondContact O-N 2.94Å; N122-S154 CarbonylContact C-O 3.58Å; N122-S154 WeakPolarHBondContact CA-O 3.4Å; N122-S154 WeakPolarHBondContact CA-OG 3.37Å; N122-S154 PolarHBondContact OD1-O 3.35Å; N122-S154 PolarHBondContact OD1-OG 2.63Å; N122-A156 PolarHBondContact OD1-N 2.8Å
123K98.6Very high97.6Very high47 Ų4751.7 Ų51.720%0.20426%0.259CS..  trans66.239.3-179.2-45.2-164.8-166171.90113.5A23 D89 D125 L126 A129 S154A23-K123 VanDerWaalsContact O-CE 3.24Å; A23-K123 WeakPolarHBondContact O-CE 3.45Å; A23-K123 PolarHBondContact O-NZ 2.91Å; D89-K123 WeakPolarHBondContact OD1-CD 3.4Å; D89-K123 VanDerWaalsContact OD2-CE 3.25Å; D89-K123 WeakPolarHBondContact OD2-CE 3.28Å; D89-K123 IonicContact OD2-NZ 3.96Å; D89-K123 PolarHBondContact OD2-NZ 2.98Å; K123-D125 VanDerWaalsContact C-OD1 3.3Å; K123-D125 VanDerWaalsContact CA-OD1 3.31Å; K123-D125 WeakPolarHBondContact CA-OD1 3.42Å; K123-D125 PolarHBondContact O-N 3.35Å; K123-L126 HydrophobicContact CB-CD1 3.79Å; K123-L126 HydrophobicContact CB-CG 4.04Å; K123-L126 HydrophobicContact CD-CD1 3.72Å; K123-L126 HydrophobicContact CG-CD1 4.39Å; K123-L126 PolarHBondContact O-N 3.19Å; K123-L126 VanDerWaalsContact O-N 3.17Å; K123-A129 WeakPolarHBondContact O-CB 3.39Å; K123-S154 PolarHBondContact N-O 2.91Å
124Q98.7Very high97.8Very high38 Ų3845.3 Ų45.318%0.17824%0.236CC..THydrogen-bonded Turntrans-65.7-12.9177.4-69.7-65.6-54.300114C90 A121 L126 M130 P153 S154C90-Q124 PolarHBondContact SG-NE2 3.11Å; A121-Q124 VanDerWaalsContact O-CG 3.29Å; A121-Q124 WeakPolarHBondContact O-CG 3.34Å; A121-Q124 PolarHBondContact O-NE2 3.26Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-M130 PolarHBondContact NE2-O 3.36Å; Q124-P153 HydrophobicContact CG-CB 3.95Å; Q124-S154 PolarHBondContact N-O 3.35Å
125D98.2Very high98.1Very high95 Ų9538.6 Ų38.651%0.50820%0.2SC..THydrogen-bonded Turntrans-75.9-18.1174.258.5-60.4000113.5K123 C155K123-D125 VanDerWaalsContact C-OD1 3.3Å; K123-D125 VanDerWaalsContact CA-OD1 3.31Å; K123-D125 WeakPolarHBondContact CA-OD1 3.42Å; K123-D125 PolarHBondContact O-N 3.35Å; D125-C155 PolarHBondContact OD1-SG 3.32Å
126L98.4Very high98.2Very high66 Ų6641.9 Ų41.935%0.34622%0.216SC..SBendtrans-81.2150.3-178.2-64-174.6000112.4A91 K123 Q124 A129A91-L126 HydrophobicContact CB-CB 3.96Å; A91-L126 HydrophobicContact CB-CD1 3.74Å; K123-L126 HydrophobicContact CB-CD1 3.79Å; K123-L126 HydrophobicContact CB-CG 4.04Å; K123-L126 HydrophobicContact CD-CD1 3.72Å; K123-L126 HydrophobicContact CG-CD1 4.39Å; K123-L126 PolarHBondContact O-N 3.19Å; K123-L126 VanDerWaalsContact O-N 3.17Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; L126-A129 WeakPolarHBondContact O-CB 3.47Å; L126-A129 PolarHBondContact O-N 2.73Å
127P96.3Very high98.2Very high104 Ų10448.3 Ų48.368%0.67525%0.245SC*.THydrogen-bonded Turntrans-59.5146.2174.126.5-34.6000110.9A129P127-A129 PolarHBondContact O-N 3.14Å
128D93.9Very high98.2Very high136 Ų13652.4 Ų52.473%0.72726%0.263SS*.THydrogen-bonded Turntrans57.614.1178.2-55.5-43.4000116.2R93 M130R93-D128 PolarHBondContact NE-O 2.86Å; R93-D128 VanDerWaalsContact NE-O 3.09Å; R93-D128 PolarHBondContact NH2-O 2.82Å; D128-M130 PolarHBondContact O-N 2.89Å
129A98.5Very high98.2Very high5 Ų552.4 Ų52.44%0.04126%0.263CS..PPolyproline II helixtrans-56.1122.9175.800000111.4C90 K123 L126 P127 K131C90-A129 HydrophobicContact CB-CB 3.98Å; C90-A129 CarbonylContact O-C 3.57Å; C90-A129 WeakPolarHBondContact O-CA 3.28Å; K123-A129 WeakPolarHBondContact O-CB 3.39Å; L126-A129 WeakPolarHBondContact O-CB 3.47Å; L126-A129 PolarHBondContact O-N 2.73Å; P127-A129 PolarHBondContact O-N 3.14Å; A129-K131 PolarHBondContact O-N 2.91Å
130M98.7Very high98.2Very high1 Ų152.8 Ų52.81%0.00527%0.268CS..PPolyproline II helixtrans-53.2128.8174.9-68.2179.5-81.700110.3C90 R93 I96 Q124 D128 E134 I135C90-M130 HydrophobicContact CB-CB 4.25Å; C90-M130 WeakPolarHBondContact CB-O 3.38Å; C90-M130 WeakPolarHBondContact O-CE 3.49Å; C90-M130 WeakPolarHBondContact O-CG 3.36Å; C90-M130 PolarHBondContact O-N 3.37Å; R93-M130 HydrophobicContact CG-CE 4.08Å; R93-M130 HydrophobicContact CG-CG 4.04Å; R93-M130 HydrophobicContact CG-SD 4.09Å; R93-M130 VanDerWaalsContact CZ-CG 3.49Å; I96-M130 HydrophobicContact CB-CE 4.13Å; I96-M130 HydrophobicContact CB-SD 4.39Å; I96-M130 HydrophobicContact CD1-CE 4Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.11Å; I96-M130 HydrophobicContact CG1-SD 4.09Å; Q124-M130 PolarHBondContact NE2-O 3.36Å; D128-M130 PolarHBondContact O-N 2.89Å; M130-E134 WeakPolarHBondContact CA-OE2 3.24Å; M130-E134 HydrophobicContact CB-CB 4.41Å; M130-E134 HydrophobicContact CB-CG 4.25Å; M130-E134 HydrophobicContact CG-CG 4.23Å; M130-E134 WeakPolarHBondContact CG-OE2 3.24Å; M130-I135 HydrophobicContact CB-CD1 3.6Å; M130-I135 HydrophobicContact CB-CG1 4.03Å; M130-I135 HydrophobicContact CE-CD1 3.97Å; M130-I135 HydrophobicContact CG-CD1 4.4Å; M130-I135 HydrophobicContact SD-CD1 4.02Å
131K98.1Very high98.1Very high99 Ų9952.8 Ų52.843%0.4327%0.268SS..PPolyproline II helixtrans-78.4159.9-179.8-60.9-53.1179.6-165.70110.8A129 H133 E134 I135A129-K131 PolarHBondContact O-N 2.91Å; K131-H133 PolarHBondContact O-N 3.37Å; K131-H133 VanDerWaalsContact O-N 3.09Å; K131-E134 WeakPolarHBondContact O-CA 3.4Å; K131-E134 WeakPolarHBondContact O-CB 3.42Å; K131-E134 PolarHBondContact O-N 3.09Å; K131-I135 PolarHBondContact O-N 2.92Å
132P98.2Very high97.9Very high35 Ų3557 Ų5723%0.22729%0.293CS..Hα-helixtrans-52.3-36.9-175.8-32.437.8000115.5I135 Q136 V151 P153P132-I135 PolarHBondContact O-N 3.19Å; P132-Q136 WeakPolarHBondContact O-CB 3.35Å; P132-Q136 PolarHBondContact O-N 2.76Å; P132-V151 HydrophobicContact CB-CG1 3.93Å; P132-P153 HydrophobicContact CG-CB 3.73Å; P132-P153 HydrophobicContact CG-CG 3.92Å
133H97.6Very high97.7Very high134 Ų13466.4 Ų66.462%0.6233%0.329SS*.Hα-helixtrans-66.6-38.8176.868.9-91000112.3K131 Q136 E137K131-H133 PolarHBondContact O-N 3.37Å; K131-H133 VanDerWaalsContact O-N 3.09Å; H133-Q136 WeakPolarHBondContact O-CB 3.43Å; H133-Q136 PolarHBondContact O-N 2.95Å; H133-E137 PolarHBondContact O-N 3.08Å; H133-E137 VanDerWaalsContact O-N 3.1Å
134E98.5Very high97.5Very high39 Ų3964.7 Ų64.718%0.18232%0.321CS..Hα-helixtrans-67.2-42.4175.8-175.9177.9-174.600110.4R93 M130 K131 Q136 E137 K138R93-E134 IonicContact CZ-OE1 3.12Å; R93-E134 IonicContact CZ-OE2 2.8Å; R93-E134 IonicContact NH1-OE1 2.88Å; R93-E134 PolarHBondContact NH1-OE1 3.04Å; R93-E134 IonicContact NH1-OE2 3.8Å; R93-E134 IonicContact NH2-OE1 3.85Å; R93-E134 IonicContact NH2-OE2 3.82Å; R93-E134 PolarHBondContact NH2-OE2 3.33Å; M130-E134 WeakPolarHBondContact CA-OE2 3.24Å; M130-E134 HydrophobicContact CB-CB 4.41Å; M130-E134 HydrophobicContact CB-CG 4.25Å; M130-E134 HydrophobicContact CG-CG 4.23Å; M130-E134 WeakPolarHBondContact CG-OE2 3.24Å; K131-E134 WeakPolarHBondContact O-CA 3.4Å; K131-E134 WeakPolarHBondContact O-CB 3.42Å; K131-E134 PolarHBondContact O-N 3.09Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 2.65Å; E134-E137 PolarHBondContact O-N 2.89Å; E134-K138 HydrophobicContact CG-CG 4.13Å; E134-K138 WeakPolarHBondContact O-CB 3.28Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 2.93Å; E134-K138 PolarHBondContact O-N 2.83Å
135I98.6Very high97.2Very high0 Ų073.7 Ų73.70%035%0.354CS..Hα-helixtrans-59.4-44.2173.6-66.2-58.5000111.2V88 I96 I119 A121 M130 K131 P132 E137 K138 L139 V151V88-I135 HydrophobicContact CG1-CD1 3.93Å; I96-I135 HydrophobicContact CD1-CD1 4.12Å; I119-I135 HydrophobicContact CG2-CG2 4.17Å; A121-I135 HydrophobicContact CB-CG1 4.14Å; M130-I135 HydrophobicContact CB-CD1 3.6Å; M130-I135 HydrophobicContact CB-CG1 4.03Å; M130-I135 HydrophobicContact CE-CD1 3.97Å; M130-I135 HydrophobicContact CG-CD1 4.4Å; M130-I135 HydrophobicContact SD-CD1 4.02Å; K131-I135 PolarHBondContact O-N 2.92Å; P132-I135 PolarHBondContact O-N 3.19Å; I135-E137 VanDerWaalsContact C-N 3.32Å; I135-E137 PolarHBondContact O-N 3.04Å; I135-K138 PolarHBondContact O-N 3.31Å; I135-L139 HydrophobicContact CG2-CD1 3.57Å; I135-L139 HydrophobicContact CG2-CG 4.14Å; I135-L139 VanDerWaalsContact O-CB 3.29Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.22Å; I135-L139 PolarHBondContact O-N 3.36Å; I135-V151 HydrophobicContact CB-CG1 4.38Å; I135-V151 HydrophobicContact CG2-CG1 4.06Å
136Q98.4Very high96.9Very high70 Ų7074.5 Ų74.533%0.32736%0.358SS..Hα-helixtrans-58.4-44177.4-179.7-176.6-43.800112P132 H133 E134 G140 L141 W149 V151P132-Q136 WeakPolarHBondContact O-CB 3.35Å; P132-Q136 PolarHBondContact O-N 2.76Å; H133-Q136 WeakPolarHBondContact O-CB 3.43Å; H133-Q136 PolarHBondContact O-N 2.95Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 2.65Å; Q136-G140 PolarHBondContact O-N 3Å; Q136-L141 HydrophobicContact CB-CD1 4.34Å; Q136-L141 HydrophobicContact CG-CB 4.15Å; Q136-L141 HydrophobicContact CG-CD1 4.28Å; Q136-L141 PolarHBondContact O-N 2.82Å; Q136-L141 VanDerWaalsContact O-N 3.1Å; Q136-W149 HydrophobicContact CG-CH2 3.79Å; Q136-W149 HydrophobicContact CG-CZ3 3.98Å; Q136-V151 HydrophobicContact CB-CG2 4.38Å
137E98.5Very high96.5Very high144 Ų14472.7 Ų72.767%0.67335%0.347SS*.Hα-helixtrans-67.4-53.6177.1-173.8-174.1159.900111.6H133 E134 I135 L139 G140H133-E137 PolarHBondContact O-N 3.08Å; H133-E137 VanDerWaalsContact O-N 3.1Å; E134-E137 PolarHBondContact O-N 2.89Å; I135-E137 VanDerWaalsContact C-N 3.32Å; I135-E137 PolarHBondContact O-N 3.04Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 2.69Å; E137-G140 WeakPolarHBondContact O-CA 3.44Å; E137-G140 PolarHBondContact O-N 2.79Å
138K98.7Very high96.4Very high85 Ų8571.6 Ų71.637%0.3734%0.335SS..Hα-helixtrans-62.7-37.2-174.9-72-72-176.3-174.70112.7I96 R100 E134 I135 G140I96-K138 HydrophobicContact CD1-CB 4.35Å; I96-K138 HydrophobicContact CG1-CB 3.63Å; I96-K138 HydrophobicContact CG1-CG 4.22Å; I96-K138 HydrophobicContact CG2-CD 4.39Å; R100-K138 VanDerWaalsContact CD-O 3.3Å; R100-K138 WeakPolarHBondContact CD-O 3.28Å; E134-K138 HydrophobicContact CG-CG 4.13Å; E134-K138 WeakPolarHBondContact O-CB 3.28Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 2.93Å; E134-K138 PolarHBondContact O-N 2.83Å; I135-K138 PolarHBondContact O-N 3.31Å; K138-G140 VanDerWaalsContact C-N 3.26Å; K138-G140 PolarHBondContact O-N 2.9Å
139L98.8Very high96.6Very high0 Ų068.1 Ų68.10%031%0.312CS..THydrogen-bonded Turntrans-79.1-7.7174.3-63.4-179.5000113.2V88 I96 A99 R100 L103 H104 I119 I135 E137 L141V88-L139 HydrophobicContact CG2-CD1 3.96Å; I96-L139 HydrophobicContact CD1-CD2 3.89Å; I96-L139 HydrophobicContact CD1-CG 4.42Å; A99-L139 HydrophobicContact CB-CD2 4.34Å; R100-L139 HydrophobicContact CB-CD2 4.15Å; L103-L139 HydrophobicContact CD2-CB 4.11Å; L103-L139 HydrophobicContact CD2-CD1 4.14Å; H104-L139 PolarHBondContact NE2-O 3.12Å; I119-L139 HydrophobicContact CG2-CD1 3.96Å; I135-L139 HydrophobicContact CG2-CD1 3.57Å; I135-L139 HydrophobicContact CG2-CG 4.14Å; I135-L139 VanDerWaalsContact O-CB 3.29Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 VanDerWaalsContact O-CG 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.22Å; I135-L139 PolarHBondContact O-N 3.36Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 2.69Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 HydrophobicContact CB-CD2 3.75Å; L139-L141 HydrophobicContact CB-CG 3.95Å; L139-L141 HydrophobicContact CD1-CD2 4.35Å; L139-L141 PolarHBondContact O-N 3.23Å
140G98.1Very high96.6Very high9 Ų972.1 Ų72.19%0.09333%0.326CS..THydrogen-bonded Turntrans64.136.4179.700000113.3Q136 E137 K138 T142 R143Q136-G140 PolarHBondContact O-N 3Å; E137-G140 WeakPolarHBondContact O-CA 3.44Å; E137-G140 PolarHBondContact O-N 2.79Å; K138-G140 VanDerWaalsContact C-N 3.26Å; K138-G140 PolarHBondContact O-N 2.9Å; G140-T142 PolarHBondContact O-N 3.33Å; G140-R143 WeakPolarHBondContact O-CB 3.44Å; G140-R143 PolarHBondContact O-N 2.94Å; G140-R143 VanDerWaalsContact O-N 3.12Å
141L98.1Very high96.6Very high0 Ų072.5 Ų72.50%033%0.329CS..G310 helixtrans-65.4-27-174-57.5-175.6000112.9L103 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 4.42Å; Q136-L141 HydrophobicContact CB-CD1 4.34Å; Q136-L141 HydrophobicContact CG-CB 4.15Å; Q136-L141 HydrophobicContact CG-CD1 4.28Å; Q136-L141 PolarHBondContact O-N 2.82Å; Q136-L141 VanDerWaalsContact O-N 3.1Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 HydrophobicContact CB-CD2 3.75Å; L139-L141 HydrophobicContact CB-CG 3.95Å; L139-L141 HydrophobicContact CD1-CD2 4.35Å; L139-L141 PolarHBondContact O-N 3.23Å; L141-R143 PolarHBondContact O-N 3.22Å; L141-R143 VanDerWaalsContact O-N 3.1Å; L141-I144 HydrophobicContact CD2-CD1 3.92Å; L141-I144 WeakPolarHBondContact O-CB 3.5Å; L141-I144 PolarHBondContact O-N 2.82Å; L141-W149 HydrophobicContact CB-CD2 3.98Å; L141-W149 HydrophobicContact CB-CE3 4.03Å; L141-W149 HydrophobicContact CB-CH2 4.03Å; L141-W149 HydrophobicContact CB-CZ2 3.94Å; L141-W149 HydrophobicContact CB-CZ3 4.06Å; L141-W149 HydrophobicContact CD1-CD2 4.37Å; L141-W149 HydrophobicContact CD1-CE3 3.76Å; L141-W149 HydrophobicContact CD1-CZ3 3.95Å; L141-W149 PolarHBondContact O-NE1 3.25Å; L141-V151 HydrophobicContact CD1-CG2 3.3Å
142T94.8Very high96.6Very high87 Ų8768.6 Ų68.653%0.53431%0.312SS..G310 helixtrans-64.5-13.7176.257.30000113.6G140 I144G140-T142 PolarHBondContact O-N 3.33Å; T142-I144 VanDerWaalsContact C-N 3.33Å
143R94Very high96.6Very high201 Ų20169.2 Ų69.276%0.75832%0.316SS*.G310 helixtrans-77.3-21.2171.3-59.8-177.7176.4-170.3-1.2112.4G140 L141 R145G140-R143 WeakPolarHBondContact O-CB 3.44Å; G140-R143 PolarHBondContact O-N 2.94Å; G140-R143 VanDerWaalsContact O-N 3.12Å; L141-R143 PolarHBondContact O-N 3.22Å; L141-R143 VanDerWaalsContact O-N 3.1Å; R143-R145 PolarHBondContact O-N 2.86Å
144I94.6Very high96.7Very high10 Ų1062.9 Ų62.95%0.05129%0.287CS..  trans-84.5105178.3-48.1172000107.6I107 I117 L141 T142 R147 W149I107-I144 HydrophobicContact CD1-CD1 3.34Å; I107-I144 HydrophobicContact CD1-CG1 3.63Å; I117-I144 HydrophobicContact CD1-CD1 4.33Å; I117-I144 HydrophobicContact CD1-CG2 4.27Å; L141-I144 HydrophobicContact CD2-CD1 3.92Å; L141-I144 WeakPolarHBondContact O-CB 3.5Å; L141-I144 PolarHBondContact O-N 2.82Å; T142-I144 VanDerWaalsContact C-N 3.33Å; I144-R147 HydrophobicContact CG2-CB 4.27Å; I144-W149 PolarHBondContact O-NE1 2.83Å; I144-W149 VanDerWaalsContact O-NE1 3.11Å
145R92.3Very high96.7Very high228 Ų22861.2 Ų61.286%0.8628%0.28SS*.  trans-116.4-14.2-174.6-63.9-176.9178.5-176.9-0.9113.6R143R143-R145 PolarHBondContact O-N 2.86Å
146D91.7Very high96.7Very high112 Ų11261.5 Ų61.560%0.59928%0.282SS*.SBendtrans-90.2-7.5-176.463.4-35.8000112.9
147R89.7Confident96.6Very high28 Ų2861.4 Ų61.411%0.10629%0.286CS..SBendtrans-142.2153.8-174.8-68.8-145.6-79.6-74.411.6113.9I107 M112 R113 A115 I144I107-R147 VanDerWaalsContact CA-NH2 3.32Å; I107-R147 PolarHBondContact O-NH1 2.92Å; I107-R147 PolarHBondContact O-NH2 3.07Å; M112-R147 PolarHBondContact O-NH1 3.22Å; M112-R147 PolarHBondContact O-NH2 3.45Å; M112-R147 VanDerWaalsContact O-NH2 3.08Å; R113-R147 WeakPolarHBondContact O-CD 3.18Å; R113-R147 PolarHBondContact O-NH1 3.3Å; A115-R147 WeakPolarHBondContact O-CD 3.36Å; A115-R147 PolarHBondContact O-NE 3.41Å; I144-R147 HydrophobicContact CG2-CB 4.27Å
148N94Very high96.6Very high80 Ų8057.9 Ų57.943%0.42828%0.275SS..  trans-72.3129.3167.5-73.6-12.8000110.1I116 I117 W168I116-N148 HydrophobicContact CD1-CB 4.16Å; I116-N148 HydrophobicContact CG1-CB 4.08Å; I117-N148 PolarHBondContact N-O 2.99Å; I117-N148 VanDerWaalsContact N-O 3.09Å; N148-W168 HydrophobicContact CB-CZ2 4.43Å
149W97.6Very high96.6Very high64 Ų6454.2 Ų54.224%0.24226%0.261CS..EExtended strand (participates in β ladder)trans-135.8156.8170.557-98.2000111I117 Q136 L141 I144 V151I117-W149 HydrophobicContact CB-CB 3.87Å; I117-W149 HydrophobicContact CG2-CB 4.3Å; I117-W149 CarbonylContact O-C 3.47Å; I117-W149 WeakPolarHBondContact O-CA 3.31Å; Q136-W149 HydrophobicContact CG-CH2 3.79Å; Q136-W149 HydrophobicContact CG-CZ3 3.98Å; L141-W149 HydrophobicContact CB-CD2 3.98Å; L141-W149 HydrophobicContact CB-CE3 4.03Å; L141-W149 HydrophobicContact CB-CH2 4.03Å; L141-W149 HydrophobicContact CB-CZ2 3.94Å; L141-W149 HydrophobicContact CB-CZ3 4.06Å; L141-W149 HydrophobicContact CD1-CD2 4.37Å; L141-W149 HydrophobicContact CD1-CE3 3.76Å; L141-W149 HydrophobicContact CD1-CZ3 3.95Å; L141-W149 PolarHBondContact O-NE1 3.25Å; I144-W149 PolarHBondContact O-NE1 2.83Å; I144-W149 VanDerWaalsContact O-NE1 3.11Å; W149-V151 HydrophobicContact CZ3-CG2 4.41Å
150Y98.6Very high96.5Very high88 Ų8859.2 Ų59.235%0.34529%0.288SS..EExtended strand (participates in β ladder)trans-150.4145174.5177-116.8000111.5I117 L118 I119 Q152 W168I117-Y150 PolarHBondContact O-N 2.81Å; L118-Y150 HydrophobicContact CD1-CD1 3.88Å; I119-Y150 PolarHBondContact N-O 2.9Å; Y150-Q152 HydrophobicContact CD1-CB 4.17Å; Y150-Q152 HydrophobicContact CE1-CB 3.81Å; Y150-Q152 HydrophobicContact CE1-CG 4.47Å; Y150-Q152 VanDerWaalsContact CE1-OE1 3.27Å; Y150-Q152 PolarHBondContact OH-OE1 3.25Å; Y150-W168 VanDerWaalsContact CB-CD2 3.47Å; Y150-W168 HydrophobicContact CD1-CB 3.93Å; Y150-W168 AromaticContact CD1-CD1 3.65Å; Y150-W168 AromaticContact CD1-CD2 3.77Å; Y150-W168 HydrophobicContact CD1-CD2 3.77Å; Y150-W168 HydrophobicContact CD1-CE3 4.36Å; Y150-W168 AromaticContact CD1-CG 3.5Å; Y150-W168 HydrophobicContact CD1-CG 3.5Å; Y150-W168 VanDerWaalsContact CD1-CG 3.5Å; Y150-W168 HydrophobicContact CE1-CB 4.23Å; Y150-W168 HydrophobicContact CE1-CG 4.15Å; Y150-W168 AromaticContact CG-CD1 3.71Å; Y150-W168 AromaticContact CG-CD2 3.9Å; Y150-W168 HydrophobicContact CG-CD2 3.9Å; Y150-W168 AromaticContact CG-CE2 3.79Å; Y150-W168 AromaticContact CG-CG 3.91Å; Y150-W168 HydrophobicContact CG-CG 3.91Å; Y150-W168 HydrophobicContact CG-CZ2 4.38Å; Y150-W168 AromaticContact CG-NE1 3.64Å
151V98.8Very high96.6Very high10 Ų1059.2 Ų59.26%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-105.8113.2175.7-173.70000108.4I119 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 4.46Å; I119-V151 WeakPolarHBondContact O-CA 3.34Å; A121-V151 HydrophobicContact CB-CG1 3.79Å; P132-V151 HydrophobicContact CB-CG1 3.93Å; I135-V151 HydrophobicContact CB-CG1 4.38Å; I135-V151 HydrophobicContact CG2-CG1 4.06Å; Q136-V151 HydrophobicContact CB-CG2 4.38Å; L141-V151 HydrophobicContact CD1-CG2 3.3Å; W149-V151 HydrophobicContact CZ3-CG2 4.41Å
152Q98.8Very high96.6Very high17 Ų1759.2 Ų59.28%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-103.2115.7176.3178.856.85500109.2L118 I119 F120 A121 Y150 S154 G161L118-Q152 HydrophobicContact CD1-CB 3.94Å; I119-Q152 PolarHBondContact O-N 2.98Å; F120-Q152 HydrophobicContact CD1-CB 4Å; F120-Q152 HydrophobicContact CD1-CG 4.04Å; F120-Q152 HydrophobicContact CE1-CB 4.11Å; F120-Q152 HydrophobicContact CE1-CG 3.83Å; A121-Q152 PolarHBondContact N-O 3.32Å; Y150-Q152 HydrophobicContact CD1-CB 4.17Å; Y150-Q152 HydrophobicContact CE1-CB 3.81Å; Y150-Q152 HydrophobicContact CE1-CG 4.47Å; Y150-Q152 VanDerWaalsContact CE1-OE1 3.27Å; Y150-Q152 PolarHBondContact OH-OE1 3.25Å; Q152-S154 PolarHBondContact O-N 3.15Å; Q152-G161 WeakPolarHBondContact CG-O 3.48Å
153P98.8Very high96.8Very high47 Ų4759.4 Ų59.431%0.30528%0.279SS..EExtended strand (participates in β ladder)trans-58.7136.6167.523.4-31.3000109.7Q124 P132 G161Q124-P153 HydrophobicContact CG-CB 3.95Å; P132-P153 HydrophobicContact CG-CB 3.73Å; P132-P153 HydrophobicContact CG-CG 3.92Å; P153-G161 WeakPolarHBondContact O-CA 3.35Å
154S98.9Very high97Very high2 Ų254.8 Ų54.81%0.01427%0.266CS..  trans-146.9159.7179.968.90000114.5A121 N122 K123 Q124 Q152 D160A121-S154 PolarHBondContact O-N 3.15Å; N122-S154 CarbonylContact C-O 3.58Å; N122-S154 WeakPolarHBondContact CA-O 3.4Å; N122-S154 WeakPolarHBondContact CA-OG 3.37Å; N122-S154 PolarHBondContact OD1-O 3.35Å; N122-S154 PolarHBondContact OD1-OG 2.63Å; K123-S154 PolarHBondContact N-O 2.91Å; Q124-S154 PolarHBondContact N-O 3.35Å; Q152-S154 PolarHBondContact O-N 3.15Å; S154-D160 CarbonylContact C-O 3.55Å; S154-D160 WeakPolarHBondContact CA-O 3.41Å; S154-D160 WeakPolarHBondContact CB-O 3.21Å
155C98.6Very high97.2Very high4 Ų454.3 Ų54.33%0.02726%0.264CS..  trans-131.8111.7164.8178.30000109.2D125 T157 T158 G159 D160D125-C155 PolarHBondContact OD1-SG 3.32Å; C155-T157 VanDerWaalsContact C-N 3.28Å; C155-T157 PolarHBondContact O-N 3.45Å; C155-T157 PolarHBondContact SG-OG1 3.11Å; C155-T158 VanDerWaalsContact CB-OG1 3.3Å; C155-T158 WeakPolarHBondContact CB-OG1 3.3Å; C155-T158 PolarHBondContact SG-OG1 3.19Å; C155-G159 WeakPolarHBondContact O-CA 3.32Å; C155-G159 PolarHBondContact O-N 3.02Å; C155-D160 HydrophobicContact CB-CB 4.37Å; C155-D160 PolarHBondContact N-O 2.68Å; C155-D160 PolarHBondContact O-N 3.37Å
156A98.5Very high97.5Very high5 Ų543.6 Ų43.64%0.04122%0.224CC..THydrogen-bonded Turntrans-62.1-33.3-175.300000113.7T28 I29 K32 N122T28-A156 HydrophobicContact CG2-CB 3.75Å; I29-A156 HydrophobicContact CD1-CB 4.45Å; I29-A156 HydrophobicContact CG1-CB 3.5Å; I29-A156 VanDerWaalsContact CG1-CB 3.5Å; K32-A156 WeakPolarHBondContact CB-O 3.4Å; K32-A156 VanDerWaalsContact CG-O 3.32Å; K32-A156 WeakPolarHBondContact CG-O 3.23Å; N122-A156 PolarHBondContact OD1-N 2.8Å
157T97.2Very high97.8Very high68 Ų6840.1 Ų40.142%0.41721%0.207SC..THydrogen-bonded Turntrans-77.7-44.1-175.452.50000111.4T28 K32 C155T28-T157 HydrophobicContact CG2-CG2 4.33Å; K32-T157 PolarHBondContact NZ-O 2.85Å; C155-T157 VanDerWaalsContact C-N 3.28Å; C155-T157 PolarHBondContact O-N 3.45Å; C155-T157 PolarHBondContact SG-OG1 3.11Å
158T97.4Very high98.2Very high71 Ų7140.6 Ų40.644%0.43621%0.208SC..THydrogen-bonded Turntrans-77.4-35.3177.366.40000111.7K32 C155 D160K32-T158 VanDerWaalsContact CE-C 3.45Å; K32-T158 WeakPolarHBondContact CE-O 3.39Å; K32-T158 PolarHBondContact NZ-O 3.4Å; C155-T158 VanDerWaalsContact CB-OG1 3.3Å; C155-T158 WeakPolarHBondContact CB-OG1 3.3Å; C155-T158 PolarHBondContact SG-OG1 3.19Å; T158-D160 WeakPolarHBondContact CB-OD2 3.41Å; T158-D160 PolarHBondContact OG1-N 2.87Å; T158-D160 PolarHBondContact OG1-OD2 2.87Å
159G98.2Very high98.3Very high8 Ų836.8 Ų36.88%0.08219%0.188CC..  trans98.8-1.2-174.500000113.8C155 G161 L162C155-G159 WeakPolarHBondContact O-CA 3.32Å; C155-G159 PolarHBondContact O-N 3.02Å; G159-G161 PolarHBondContact O-N 2.95Å; G159-L162 WeakPolarHBondContact O-CG 3.46Å; G159-L162 PolarHBondContact O-N 2.6Å
160D98.6Very high98.1Very high105 Ų10535.2 Ų35.256%0.56119%0.186SC*.THydrogen-bonded Turntrans-59.4135-178-61.1-34.6000110.9S154 C155 T158 L162S154-D160 CarbonylContact C-O 3.55Å; S154-D160 WeakPolarHBondContact CA-O 3.41Å; S154-D160 WeakPolarHBondContact CB-O 3.21Å; C155-D160 HydrophobicContact CB-CB 4.37Å; C155-D160 PolarHBondContact N-O 2.68Å; C155-D160 PolarHBondContact O-N 3.37Å; T158-D160 WeakPolarHBondContact CB-OD2 3.41Å; T158-D160 PolarHBondContact OG1-N 2.87Å; T158-D160 PolarHBondContact OG1-OD2 2.87Å; D160-L162 PolarHBondContact O-N 2.8Å; D160-L162 VanDerWaalsContact O-N 3.16Å
161G98.7Very high97.9Very high9 Ų935.2 Ų35.29%0.09320%0.198CC..THydrogen-bonded Turntrans76.8-12.6177.400000115.5Q152 P153 G159 E164 G165Q152-G161 WeakPolarHBondContact CG-O 3.48Å; P153-G161 WeakPolarHBondContact O-CA 3.35Å; G159-G161 PolarHBondContact O-N 2.95Å; G161-E164 WeakPolarHBondContact CA-OE2 3.28Å; G161-E164 PolarHBondContact N-OE2 3.06Å; G161-G165 PolarHBondContact O-N 3.09Å
162L98.8Very high97.7Very high0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-68-44.3-173.9-58.9-174.3000112I29 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 3.9Å; I29-L162 HydrophobicContact CG2-CD1 4.3Å; I29-L162 HydrophobicContact CG2-CD2 3.96Å; K32-L162 HydrophobicContact CB-CD1 4.03Å; K32-L162 HydrophobicContact CG-CD1 3.8Å; L33-L162 HydrophobicContact CD2-CB 3.81Å; L33-L162 HydrophobicContact CD2-CD1 4.45Å; L33-L162 HydrophobicContact CG-CB 4.34Å; L33-L162 HydrophobicContact CG-CD1 4.26Å; F120-L162 HydrophobicContact CD1-CD2 4.3Å; F120-L162 HydrophobicContact CE1-CD2 4.01Å; F120-L162 HydrophobicContact CE2-CD2 4.41Å; F120-L162 HydrophobicContact CZ-CD2 4.07Å; G159-L162 WeakPolarHBondContact O-CG 3.46Å; G159-L162 PolarHBondContact O-N 2.6Å; D160-L162 PolarHBondContact O-N 2.8Å; D160-L162 VanDerWaalsContact O-N 3.16Å; L162-G165 PolarHBondContact O-N 3.08Å; L162-L166 PolarHBondContact O-N 2.88Å; L162-L166 VanDerWaalsContact O-N 3.1Å
163Y98.4Very high97.3Very high90 Ų9038.2 Ų38.235%0.35321%0.212SC..Hα-helixtrans-74.7-29.1-179.2-64.2-69.8000112.7L33 Y54 L166 T167L33-Y163 HydrophobicContact CD2-CD1 4.06Å; L33-Y163 HydrophobicContact CD2-CE1 3.86Å; Y54-Y163 AromaticContact CD2-CD1 3.51Å; Y54-Y163 HydrophobicContact CD2-CD1 3.51Å; Y54-Y163 HydrophobicContact CD2-CE1 4.07Å; Y54-Y163 AromaticContact CE2-CD1 3.49Å; Y54-Y163 HydrophobicContact CE2-CD1 3.49Å; Y54-Y163 VanDerWaalsContact CE2-CD1 3.49Å; Y54-Y163 HydrophobicContact CE2-CE1 4.35Å; Y54-Y163 HydrophobicContact CE2-CG 4.08Å; Y54-Y163 HydrophobicContact CG-CD1 4.43Å; Y163-L166 PolarHBondContact O-N 3.23Å; Y163-T167 WeakPolarHBondContact O-CB 3.34Å; Y163-T167 PolarHBondContact O-N 3.25Å; Y163-T167 PolarHBondContact O-OG1 3.01Å
164E98.7Very high96.4Very high104 Ų10444.3 Ų44.349%0.48623%0.234SC..Hα-helixtrans-63.6-44.3170.6-66.577.5-176.700110.1G161 L166 T167 W168G161-E164 WeakPolarHBondContact CA-OE2 3.28Å; G161-E164 PolarHBondContact N-OE2 3.06Å; E164-L166 PolarHBondContact O-N 3Å; E164-T167 WeakPolarHBondContact O-CB 3.45Å; E164-T167 PolarHBondContact O-N 2.68Å; E164-W168 PolarHBondContact O-N 3.12Å
165G98.8Very high94.6Very high0 Ų051.4 Ų51.40%028%0.284CS..Hα-helixtrans-59.4-45.6173.100000112.6G161 L162 T167 W168 L169G161-G165 PolarHBondContact O-N 3.09Å; L162-G165 PolarHBondContact O-N 3.08Å; G165-T167 VanDerWaalsContact C-N 3.34Å; G165-T167 PolarHBondContact O-N 3.46Å; G165-W168 PolarHBondContact O-N 2.92Å; G165-L169 PolarHBondContact O-N 3.12Å
166L98.5Very high94.4Very high4 Ų453.8 Ų53.82%0.02130%0.296CS..Hα-helixtrans-64.5-37.4174.8-64.6-170.6000112.4L33 V52 Y54 F59 L162 Y163 E164 W168 L169 T170L33-L166 HydrophobicContact CD1-CD1 4.17Å; L33-L166 HydrophobicContact CD1-CD2 4.49Å; L33-L166 HydrophobicContact CD2-CD1 3.73Å; L33-L166 HydrophobicContact CD2-CG 4.4Å; V52-L166 HydrophobicContact CG1-CD1 4.32Å; Y54-L166 HydrophobicContact CD1-CB 3.75Å; Y54-L166 HydrophobicContact CD1-CD1 4.33Å; Y54-L166 HydrophobicContact CE1-CB 4.1Å; Y54-L166 HydrophobicContact CG-CB 4.28Å; Y54-L166 HydrophobicContact CG-CD1 4.04Å; F59-L166 HydrophobicContact CE1-CD2 4.39Å; F59-L166 HydrophobicContact CE2-CB 4.46Å; F59-L166 HydrophobicContact CE2-CD1 4.34Å; F59-L166 HydrophobicContact CE2-CD2 4.44Å; F59-L166 HydrophobicContact CZ-CB 4.32Å; F59-L166 HydrophobicContact CZ-CD2 4.26Å; L162-L166 PolarHBondContact O-N 2.88Å; L162-L166 VanDerWaalsContact O-N 3.1Å; Y163-L166 PolarHBondContact O-N 3.23Å; E164-L166 PolarHBondContact O-N 3Å; L166-W168 VanDerWaalsContact C-N 3.33Å; L166-L169 HydrophobicContact CD2-CD1 4.2Å; L166-L169 PolarHBondContact O-N 3.4Å; L166-T170 WeakPolarHBondContact O-CG2 3.49Å; L166-T170 PolarHBondContact O-N 2.92Å; L166-T170 PolarHBondContact O-OG1 2.64Å
167T97.7Very high94.2Very high39 Ų3956.4 Ų56.424%0.23931%0.31CS..Hα-helixtrans-63.2-40.6174.1-68.70000111.5Y54 K55 Y163 E164 G165 T170 S171Y54-T167 VanDerWaalsContact CE1-OG1 3.31Å; Y54-T167 WeakPolarHBondContact CE1-OG1 3.39Å; Y54-T167 PolarHBondContact OH-OG1 3.39Å; K55-T167 PolarHBondContact NZ-OG1 3.3Å; K55-T167 VanDerWaalsContact NZ-OG1 3.09Å; Y163-T167 WeakPolarHBondContact O-CB 3.34Å; Y163-T167 PolarHBondContact O-N 3.25Å; Y163-T167 PolarHBondContact O-OG1 3.01Å; E164-T167 WeakPolarHBondContact O-CB 3.45Å; E164-T167 PolarHBondContact O-N 2.68Å; G165-T167 VanDerWaalsContact C-N 3.34Å; G165-T167 PolarHBondContact O-N 3.46Å; T167-T170 PolarHBondContact O-N 3.48Å; T167-T170 PolarHBondContact O-OG1 2.73Å; T167-S171 VanDerWaalsContact O-CB 3.31Å; T167-S171 WeakPolarHBondContact O-CB 3.25Å; T167-S171 PolarHBondContact O-N 3.28Å; T167-S171 PolarHBondContact O-OG 3.38Å
168W98.1Very high94.1Very high37 Ų3755.7 Ų55.714%0.1430%0.304CS..Hα-helixtrans-62.6-45.1175.2-179.889.6000111.2I116 I117 L118 N148 Y150 E164 G165 L166 T170 S171 N172I116-W168 HydrophobicContact CD1-CE3 4.44Å; I116-W168 HydrophobicContact CD1-CH2 3.52Å; I116-W168 HydrophobicContact CD1-CZ2 4.13Å; I116-W168 HydrophobicContact CD1-CZ3 3.7Å; I116-W168 HydrophobicContact CG1-CH2 3.46Å; I116-W168 VanDerWaalsContact CG1-CH2 3.46Å; I116-W168 HydrophobicContact CG1-CZ2 4.43Å; I116-W168 HydrophobicContact CG1-CZ3 3.69Å; I117-W168 VanDerWaalsContact O-CH2 3.3Å; I117-W168 WeakPolarHBondContact O-CH2 3.49Å; I117-W168 WeakPolarHBondContact O-CZ3 3.37Å; L118-W168 HydrophobicContact CB-CE3 4.22Å; L118-W168 HydrophobicContact CB-CZ3 4.03Å; L118-W168 HydrophobicContact CD1-CE3 3.93Å; L118-W168 HydrophobicContact CD1-CZ3 4.39Å; N148-W168 HydrophobicContact CB-CZ2 4.43Å; Y150-W168 VanDerWaalsContact CB-CD2 3.47Å; Y150-W168 HydrophobicContact CD1-CB 3.93Å; Y150-W168 AromaticContact CD1-CD1 3.65Å; Y150-W168 AromaticContact CD1-CD2 3.77Å; Y150-W168 HydrophobicContact CD1-CD2 3.77Å; Y150-W168 HydrophobicContact CD1-CE3 4.36Å; Y150-W168 AromaticContact CD1-CG 3.5Å; Y150-W168 HydrophobicContact CD1-CG 3.5Å; Y150-W168 VanDerWaalsContact CD1-CG 3.5Å; Y150-W168 HydrophobicContact CE1-CB 4.23Å; Y150-W168 HydrophobicContact CE1-CG 4.15Å; Y150-W168 AromaticContact CG-CD1 3.71Å; Y150-W168 AromaticContact CG-CD2 3.9Å; Y150-W168 HydrophobicContact CG-CD2 3.9Å; Y150-W168 AromaticContact CG-CE2 3.79Å; Y150-W168 AromaticContact CG-CG 3.91Å; Y150-W168 HydrophobicContact CG-CG 3.91Å; Y150-W168 HydrophobicContact CG-CZ2 4.38Å; Y150-W168 AromaticContact CG-NE1 3.64Å; E164-W168 PolarHBondContact O-N 3.12Å; G165-W168 PolarHBondContact O-N 2.92Å; L166-W168 VanDerWaalsContact C-N 3.33Å; W168-T170 PolarHBondContact O-N 2.99Å; W168-S171 PolarHBondContact O-N 3.45Å; W168-N172 HydrophobicContact CD2-CB 4.44Å; W168-N172 HydrophobicContact CZ2-CB 4.18Å; W168-N172 PolarHBondContact NE1-ND2 3.39Å; W168-N172 WeakPolarHBondContact O-CB 3.41Å; W168-N172 PolarHBondContact O-N 2.95Å; W168-N172 PolarHBondContact O-ND2 3.19Å
169L96.9Very high93.9Very high0 Ų054.8 Ų54.80%030%0.296CS..Hα-helixtrans-57.6-49.8176.3-79170.9000112M14 I16 F59 I85 I116 L118 G165 L166 S171 N172 Y173M14-L169 HydrophobicContact CE-CD2 4.3Å; I16-L169 HydrophobicContact CD1-CD1 4.3Å; F59-L169 HydrophobicContact CE1-CB 4.34Å; F59-L169 HydrophobicContact CE1-CD1 4.43Å; I85-L169 HydrophobicContact CD1-CD1 3.93Å; I85-L169 HydrophobicContact CG1-CD1 4.02Å; I116-L169 HydrophobicContact CG2-CD2 3.67Å; L118-L169 HydrophobicContact CB-CD1 4.26Å; L118-L169 HydrophobicContact CB-CD2 3.94Å; L118-L169 HydrophobicContact CB-CG 4.06Å; L118-L169 HydrophobicContact CD2-CD1 3.7Å; L118-L169 HydrophobicContact CD2-CG 3.96Å; G165-L169 PolarHBondContact O-N 3.12Å; L166-L169 HydrophobicContact CD2-CD1 4.2Å; L166-L169 PolarHBondContact O-N 3.4Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 3Å; L169-N172 PolarHBondContact O-N 3.17Å; L169-Y173 WeakPolarHBondContact O-CB 3.47Å; L169-Y173 PolarHBondContact O-N 2.8Å
170T93.7Very high93.6Very high32 Ų3257.8 Ų57.820%0.19631%0.31CS..Hα-helixtrans-64-35.3-178.956.90000112.9V57 F59 L166 T167 W168V57-T170 HydrophobicContact CB-CG2 4.05Å; V57-T170 HydrophobicContact CG1-CG2 4.27Å; V57-T170 HydrophobicContact CG2-CG2 3.62Å; F59-T170 HydrophobicContact CE1-CG2 4.39Å; F59-T170 HydrophobicContact CE2-CG2 4.18Å; F59-T170 HydrophobicContact CZ-CG2 3.49Å; F59-T170 VanDerWaalsContact CZ-CG2 3.49Å; L166-T170 WeakPolarHBondContact O-CG2 3.49Å; L166-T170 PolarHBondContact O-N 2.92Å; L166-T170 PolarHBondContact O-OG1 2.64Å; T167-T170 PolarHBondContact O-N 3.48Å; T167-T170 PolarHBondContact O-OG1 2.73Å; W168-T170 PolarHBondContact O-N 2.99Å
171S94.4Very high93.2Very high87 Ų8754.6 Ų54.661%0.60829%0.293SS*.Hα-helixtrans-79.3-26.1-176.6-53.40000113T167 W168 L169T167-S171 VanDerWaalsContact O-CB 3.31Å; T167-S171 WeakPolarHBondContact O-CB 3.25Å; T167-S171 PolarHBondContact O-N 3.28Å; T167-S171 PolarHBondContact O-OG 3.38Å; W168-S171 PolarHBondContact O-N 3.45Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 3Å
172N95Very high92.9Very high57 Ų5757.9 Ų57.931%0.30531%0.307SS..Hα-helixtrans-110.6-11.8-173.7-67.7-86.1000113.9I116 W168 L169 K174I116-N172 VanDerWaalsContact CD1-C 3.5Å; I116-N172 HydrophobicContact CD1-CB 3.56Å; I116-N172 WeakPolarHBondContact CD1-O 3.33Å; W168-N172 HydrophobicContact CD2-CB 4.44Å; W168-N172 HydrophobicContact CZ2-CB 4.18Å; W168-N172 PolarHBondContact NE1-ND2 3.39Å; W168-N172 WeakPolarHBondContact O-CB 3.41Å; W168-N172 PolarHBondContact O-N 2.95Å; W168-N172 PolarHBondContact O-ND2 3.19Å; L169-N172 PolarHBondContact O-N 3.17Å; N172-K174 PolarHBondContact O-N 3.31Å
173Y89.7Confident92.4Very high34 Ų3462.3 Ų62.313%0.13333%0.331CS..  trans-73.4106.9174179.5-116.5000111K12 M14 Q82 I116 L169K12-Y173 PolarHBondContact NZ-O 3.17Å; M14-Y173 HydrophobicContact CE-CD1 4.05Å; M14-Y173 HydrophobicContact CE-CD2 3.66Å; M14-Y173 HydrophobicContact CE-CE2 4.32Å; M14-Y173 HydrophobicContact CE-CG 3.54Å; M14-Y173 HydrophobicContact CG-CD1 4.47Å; M14-Y173 HydrophobicContact SD-CD1 4.02Å; M14-Y173 HydrophobicContact SD-CG 4.03Å; Q82-Y173 HydrophobicContact CB-CE1 4.47Å; Q82-Y173 HydrophobicContact CB-CE2 3.84Å; Q82-Y173 HydrophobicContact CG-CE2 4.45Å; Q82-Y173 WeakPolarHBondContact CG-OH 3.24Å; Q82-Y173 PolarHBondContact NE2-OH 3.35Å; I116-Y173 HydrophobicContact CG2-CD2 4.01Å; L169-Y173 WeakPolarHBondContact O-CB 3.47Å; L169-Y173 PolarHBondContact O-N 2.8Å
174K78.7Confident91.9Very high175 Ų17560 Ų6076%0.76133%0.329SS*.  trans-85.1120.2171-61.7-178.1-177.9179.10108.2N172N172-K174 PolarHBondContact O-N 3.31Å
175S62.8Low91.3Very high151 Ų15156 Ų56100%1.05632%0.315SS*.  trans-74.10172.7-1750000111.4

Retrieved 175 of 175 residues in 95.8 ms (Link to these results)

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