A0A060Y7J2_ONCMY Loading...

Dual specificity phosphatase 22b

Activates the Jnk signaling pathway. Dephosphorylates and deactivates p38 and stress-activated protein kinase/c-Jun N-terminal kinase (SAPK/JNK).

AlphaFold DB , UniProt , Accession A0A060Y7J2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene irf-10, Length 195 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
1M55.8Low86.9Confident153 Ų15356 Ų5675%0.75430%0.301SS*.  0143.70-64.4-178.217700107.2L89 A90M1-L89 HydrophobicContact CE-CG 4.34Å; M1-A90 HydrophobicContact CE-CB 4.41Å; M1-A90 HydrophobicContact CG-CB 3.97Å
2G62.8Low87.9Confident15 Ų1551.3 Ų51.316%0.15528%0.276CS..  trans-64.9170.7-175.600000114.7G4 C124G2-G4 VanDerWaalsContact C-N 3.25Å; G2-G4 PolarHBondContact O-N 2.8Å; G2-G4 VanDerWaalsContact O-N 3.07Å; G2-C124 VanDerWaalsContact CA-SG 3.58Å
3N71.4Confident88.7Confident172 Ų17248.4 Ų48.492%0.9226%0.258SS*.SBendtrans-83.534.3-169.5-63.1-9.2000114.8
4G86.9Confident89.4Confident13 Ų1344.9 Ų44.913%0.13424%0.24CC..SBendtrans115.9-167.2-179.700000114.2G2 N6 D19 R122G2-G4 VanDerWaalsContact C-N 3.25Å; G2-G4 PolarHBondContact O-N 2.8Å; G2-G4 VanDerWaalsContact O-N 3.07Å; G4-N6 PolarHBondContact O-OD1 2.8Å; G4-D19 WeakPolarHBondContact CA-OD1 3.33Å; G4-R122 PolarHBondContact O-NH1 3.37Å
5L93.6Very high90Very high23 Ų2341.9 Ų41.912%0.1222%0.224CC..  trans-70.2132176.6-174.379000110.9Y13 D19 Q25 N29 I31 L85L5-Y13 HydrophobicContact CD2-CD1 3.85Å; L5-Y13 HydrophobicContact CD2-CE1 4.42Å; L5-Y13 HydrophobicContact CD2-CG 4.35Å; L5-Y13 HydrophobicContact CG-CD1 3.99Å; L5-Y13 HydrophobicContact CG-CG 4.43Å; L5-D19 HydrophobicContact CB-CB 4.42Å; L5-D19 HydrophobicContact CD1-CB 4.48Å; L5-Q25 HydrophobicContact CD2-CB 4.45Å; L5-N29 HydrophobicContact CD2-CB 4.25Å; L5-N29 WeakPolarHBondContact CD2-ND2 3.39Å; L5-I31 HydrophobicContact CD1-CD1 4.19Å; L5-I31 HydrophobicContact CD2-CD1 3.6Å; L5-I31 HydrophobicContact CG-CD1 4.5Å; L5-L85 HydrophobicContact CD1-CD1 3.36Å; L5-L85 HydrophobicContact CD1-CD2 4.06Å; L5-L85 HydrophobicContact CD1-CG 4.21Å
6N97.2Very high90.4Very high39 Ų3940 Ų4021%0.20921%0.214CC..EExtended strand (participates in β ladder)trans-121.8129.7178.8-57.6116.8000111.7G4 Y13 L14 A121 R122G4-N6 PolarHBondContact O-OD1 2.8Å; N6-Y13 CarbonylContact O-C 3.5Å; N6-Y13 WeakPolarHBondContact O-CA 3.41Å; N6-L14 PolarHBondContact N-O 3.09Å; N6-L14 PolarHBondContact O-N 3.35Å; N6-A121 WeakPolarHBondContact CB-O 3.17Å; N6-A121 VanDerWaalsContact CG-O 3.24Å; N6-A121 PolarHBondContact ND2-O 3.01Å; N6-R122 HydrophobicContact CB-CB 4.23Å; N6-R122 WeakPolarHBondContact OD1-CG 3.26Å; N6-R122 PolarHBondContact OD1-NH1 3.33Å
7K97.6Very high90.8Very high108 Ų10841.3 Ų41.347%0.4722%0.217SC..EExtended strand (participates in β ladder)trans-76123.8171.7-171.8171.9176.41650109.8L9 Y13 A121K7-L9 VanDerWaalsContact CE-O 3.24Å; K7-L9 WeakPolarHBondContact CE-O 3.47Å; K7-L9 VanDerWaalsContact CG-O 3.25Å; K7-L9 WeakPolarHBondContact CG-O 3.48Å; K7-Y13 HydrophobicContact CB-CD1 3.85Å; K7-Y13 HydrophobicContact CB-CE1 3.6Å; K7-Y13 HydrophobicContact CD-CE1 4.14Å; K7-Y13 HydrophobicContact CG-CD1 4.31Å; K7-Y13 HydrophobicContact CG-CE1 3.86Å; K7-A121 WeakPolarHBondContact O-CB 3.35Å
8V97.3Very high91.1Very high6 Ų647.9 Ų47.94%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-99.5-45.9179.4-178.10000110.6L12 L14 V99 I103 V118 A121 L168V8-L12 PolarHBondContact N-O 2.95Å; V8-L14 HydrophobicContact CG2-CB 3.88Å; V8-V99 HydrophobicContact CG1-CG1 4.17Å; V8-I103 HydrophobicContact CG1-CD1 3.83Å; V8-V118 HydrophobicContact CG1-CG2 4.05Å; V8-A121 HydrophobicContact CG2-CB 4.15Å; V8-L168 WeakPolarHBondContact O-CD2 3.02Å
9L97.7Very high91.4Very high4 Ų445.7 Ų45.72%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-135.8169.8174.3-79.8173.2000108.8K7 D11 L12 I103 D164 I165K7-L9 VanDerWaalsContact CE-O 3.24Å; K7-L9 WeakPolarHBondContact CE-O 3.47Å; K7-L9 VanDerWaalsContact CG-O 3.25Å; K7-L9 WeakPolarHBondContact CG-O 3.48Å; L9-D11 PolarHBondContact O-N 3.24Å; L9-D11 VanDerWaalsContact O-N 3.15Å; L9-L12 HydrophobicContact CB-CB 4.1Å; L9-L12 HydrophobicContact CB-CD2 4.5Å; L9-L12 HydrophobicContact CD1-CD2 4.42Å; L9-L12 PolarHBondContact N-O 3.08Å; L9-L12 PolarHBondContact O-N 3.02Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L9-I103 HydrophobicContact CD1-CG1 4.11Å; L9-D164 HydrophobicContact CD2-CB 3.54Å; L9-I165 HydrophobicContact CD1-CD1 4.44Å; L9-I165 HydrophobicContact CD2-CD1 3.84Å; L9-I165 HydrophobicContact CD2-CG1 4.02Å; L9-I165 HydrophobicContact CG-CD1 4.16Å
10P97.6Very high91.6Very high41 Ų4143.5 Ų43.527%0.26622%0.221SC..THydrogen-bonded Turntrans-46.3124.4164.5-28.337.3000110.9L12 R78 D164P10-L12 PolarHBondContact O-N 3.48Å; P10-L12 VanDerWaalsContact O-N 3.09Å; P10-R78 PolarHBondContact O-NE 3.31Å; P10-R78 PolarHBondContact O-NH2 3.14Å; P10-D164 WeakPolarHBondContact CD-OD2 3.43Å; P10-D164 VanDerWaalsContact CG-OD2 3.29Å; P10-D164 WeakPolarHBondContact CG-OD2 3.42Å
11D98.2Very high91.9Very high42 Ų4247.4 Ų47.423%0.22523%0.233CC..THydrogen-bonded Turntrans6016.4178.1-47-45.2000116.3L9 R78 G83 C84L9-D11 PolarHBondContact O-N 3.24Å; L9-D11 VanDerWaalsContact O-N 3.15Å; D11-R78 HydrophobicContact CB-CG 4.2Å; D11-G83 WeakPolarHBondContact O-CA 3.39Å; D11-C84 PolarHBondContact O-N 3.3Å
12L98.8Very high93.8Very high0 Ų042.4 Ų42.40%021%0.21CC..EExtended strand (participates in β ladder)trans-124.4121.1174.6178.756.5000111.4V8 L9 P10 I74 V86 V99 Y102V8-L12 PolarHBondContact N-O 2.95Å; L9-L12 HydrophobicContact CB-CB 4.1Å; L9-L12 HydrophobicContact CB-CD2 4.5Å; L9-L12 HydrophobicContact CD1-CD2 4.42Å; L9-L12 PolarHBondContact N-O 3.08Å; L9-L12 PolarHBondContact O-N 3.02Å; L9-L12 VanDerWaalsContact O-N 3.11Å; P10-L12 PolarHBondContact O-N 3.48Å; P10-L12 VanDerWaalsContact O-N 3.09Å; L12-I74 HydrophobicContact CD1-CG1 4.45Å; L12-I74 HydrophobicContact CD1-CG2 3.68Å; L12-I74 HydrophobicContact CD2-CG2 4.12Å; L12-I74 HydrophobicContact CG-CG2 4.42Å; L12-V86 HydrophobicContact CD1-CG2 3.93Å; L12-V99 HydrophobicContact CD1-CG2 4.47Å; L12-V99 HydrophobicContact CD2-CG1 4.27Å; L12-Y102 HydrophobicContact CD2-CD1 3.59Å; L12-Y102 HydrophobicContact CD2-CE1 3.81Å
13Y98.7Very high95.4Very high13 Ų1348.7 Ų48.75%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-124.7149.4-174.5-61.2-97.7000111.9L5 N6 K7 N29 I31 C84 V86L5-Y13 HydrophobicContact CD2-CD1 3.85Å; L5-Y13 HydrophobicContact CD2-CE1 4.42Å; L5-Y13 HydrophobicContact CD2-CG 4.35Å; L5-Y13 HydrophobicContact CG-CD1 3.99Å; L5-Y13 HydrophobicContact CG-CG 4.43Å; N6-Y13 CarbonylContact O-C 3.5Å; N6-Y13 WeakPolarHBondContact O-CA 3.41Å; K7-Y13 HydrophobicContact CB-CD1 3.85Å; K7-Y13 HydrophobicContact CB-CE1 3.6Å; K7-Y13 HydrophobicContact CD-CE1 4.14Å; K7-Y13 HydrophobicContact CG-CD1 4.31Å; K7-Y13 HydrophobicContact CG-CE1 3.86Å; Y13-N29 HydrophobicContact CE1-CB 3.82Å; Y13-N29 VanDerWaalsContact CE1-OD1 3.22Å; Y13-N29 WeakPolarHBondContact CE1-OD1 3.5Å; Y13-N29 HydrophobicContact CE2-CB 4.21Å; Y13-N29 PolarHBondContact OH-OD1 2.86Å; Y13-I31 HydrophobicContact CD1-CD1 4.47Å; Y13-I31 HydrophobicContact CD2-CD1 3.94Å; Y13-I31 HydrophobicContact CD2-CG1 3.95Å; Y13-I31 HydrophobicContact CE2-CD1 4.46Å; Y13-I31 HydrophobicContact CE2-CG1 4.23Å; Y13-I31 HydrophobicContact CG-CD1 3.96Å; Y13-I31 HydrophobicContact CG-CG1 4.47Å; Y13-C84 PolarHBondContact N-O 3.13Å; Y13-V86 PolarHBondContact O-N 2.76Å
14L98.4Very high96.6Very high0 Ų046.5 Ų46.50%021%0.213CC..EExtended strand (participates in β ladder)trans-125.3134.1178.2-17276.7000109.7N6 V8 V86 V96 V99 V118 R122N6-L14 PolarHBondContact N-O 3.09Å; N6-L14 PolarHBondContact O-N 3.35Å; V8-L14 HydrophobicContact CG2-CB 3.88Å; L14-V86 WeakPolarHBondContact CA-O 3.44Å; L14-V86 HydrophobicContact CD1-CB 4.45Å; L14-V86 WeakPolarHBondContact CD1-O 3.4Å; L14-V96 HydrophobicContact CD1-CG2 4.31Å; L14-V96 HydrophobicContact CD2-CG2 3.54Å; L14-V96 HydrophobicContact CG-CG2 4.49Å; L14-V99 HydrophobicContact CD1-CB 4.48Å; L14-V99 HydrophobicContact CD1-CG2 3.83Å; L14-V118 HydrophobicContact CD2-CG1 3.84Å; L14-R122 HydrophobicContact CD2-CB 4.22Å; L14-R122 HydrophobicContact CD2-CG 4.39Å
15G97.7Very high97Very high0 Ų048 Ų480%022%0.217CC..EExtended strand (participates in β ladder)trans-152.6179.5-175.900000114.6D19 V86 H87 G91G15-D19 WeakPolarHBondContact CA-OD2 3.4Å; G15-V86 PolarHBondContact N-O 2.98Å; G15-H87 WeakPolarHBondContact O-CA 3.24Å; G15-H87 WeakPolarHBondContact O-CB 3.45Å; G15-G91 WeakPolarHBondContact O-CA 3.32Å
16N97.1Very high97.2Very high11 Ų1147 Ų476%0.05921%0.211CC..  trans-100.4-179171.469.149.9000110.9K18 D19 A20 C88 L89N16-K18 VanDerWaalsContact C-N 3.32Å; N16-K18 PolarHBondContact O-N 3.08Å; N16-K18 WeakPolarHBondContact OD1-CA 3.19Å; N16-K18 VanDerWaalsContact OD1-CB 3.23Å; N16-K18 WeakPolarHBondContact OD1-CB 3.49Å; N16-K18 PolarHBondContact OD1-N 3.37Å; N16-D19 PolarHBondContact N-OD2 3.41Å; N16-D19 PolarHBondContact ND2-OD2 3.34Å; N16-D19 PolarHBondContact O-N 3.32Å; N16-D19 PolarHBondContact OD1-N 2.98Å; N16-D19 PolarHBondContact OD1-OD2 3.37Å; N16-A20 PolarHBondContact O-N 2.85Å; N16-C88 CarbonylContact C-O 3.56Å; N16-L89 WeakPolarHBondContact CB-O 3.45Å
17F96.1Very high97.2Very high62 Ų6250.1 Ų50.127%0.27223%0.232SC..THydrogen-bonded Turntrans-64.2-31.2-178.8180-97.2000114.6R21 H38 C88 L89F17-R21 VanDerWaalsContact CZ-CZ 3.49Å; F17-H38 AromaticContact CD2-NE2 3.98Å; F17-C88 PolarHBondContact N-O 3.28Å; F17-C88 VanDerWaalsContact N-O 3.14Å; F17-L89 HydrophobicContact CB-CD1 4.27Å; F17-L89 PolarHBondContact N-O 2.92Å; F17-L89 VanDerWaalsContact N-O 3.11Å
18K96.5Very high97.2Very high161 Ų16152.5 Ų52.570%0.724%0.238SC*.THydrogen-bonded Turntrans-68.5-43.9175.6-175.1-173.7174.9-173.80110.3N16 A20 R21 D22N16-K18 VanDerWaalsContact C-N 3.32Å; N16-K18 PolarHBondContact O-N 3.08Å; N16-K18 WeakPolarHBondContact OD1-CA 3.19Å; N16-K18 VanDerWaalsContact OD1-CB 3.23Å; N16-K18 WeakPolarHBondContact OD1-CB 3.49Å; N16-K18 PolarHBondContact OD1-N 3.37Å; K18-A20 PolarHBondContact O-N 3.15Å; K18-R21 PolarHBondContact O-N 3.2Å; K18-D22 PolarHBondContact O-N 3.36Å
19D96.6Very high97.2Very high6 Ų654.3 Ų54.33%0.03225%0.247CC..G310 helixtrans-59.5-37.9179.4-51.6-33.2000111.1G4 L5 G15 N16 R21 D22G4-D19 WeakPolarHBondContact CA-OD1 3.33Å; L5-D19 HydrophobicContact CB-CB 4.42Å; L5-D19 HydrophobicContact CD1-CB 4.48Å; G15-D19 WeakPolarHBondContact CA-OD2 3.4Å; N16-D19 PolarHBondContact N-OD2 3.41Å; N16-D19 PolarHBondContact ND2-OD2 3.34Å; N16-D19 PolarHBondContact O-N 3.32Å; N16-D19 PolarHBondContact OD1-N 2.98Å; N16-D19 PolarHBondContact OD1-OD2 3.37Å; D19-R21 PolarHBondContact O-N 3.07Å; D19-R21 VanDerWaalsContact O-N 3.17Å; D19-D22 PolarHBondContact O-N 2.72Å
20A96.9Very high97.2Very high0 Ų058.3 Ų58.30%027%0.269CS..G310 helixtrans-67.6-11.1177.600000115N16 K18 I44 L45 L85 H87N16-A20 PolarHBondContact O-N 2.85Å; K18-A20 PolarHBondContact O-N 3.15Å; A20-I44 HydrophobicContact CB-CD1 4.37Å; A20-L45 WeakPolarHBondContact O-CD1 3.5Å; A20-L85 HydrophobicContact CB-CD2 3.97Å; A20-H87 HydrophobicContact CB-CB 4.39Å
21R96.4Very high97.3Very high126 Ų12656.6 Ų56.648%0.47526%0.257SS..G310 helixtrans-105.3-8.6176.8-72176.2177.7-105.3-5.3112.9F17 K18 D19 R23 I44F17-R21 VanDerWaalsContact CZ-CZ 3.49Å; K18-R21 PolarHBondContact O-N 3.2Å; D19-R21 PolarHBondContact O-N 3.07Å; D19-R21 VanDerWaalsContact O-N 3.17Å; R21-R23 PolarHBondContact O-N 2.88Å; R21-R23 VanDerWaalsContact O-N 3.13Å; R21-I44 HydrophobicContact CG-CD1 3.62Å
22D96.8Very high97.3Very high49 Ų4956.3 Ų56.326%0.26226%0.257SS..  trans-83.189.9-176.4-170.9-29.7000110.2K18 D19 E24 Q25 L26K18-D22 PolarHBondContact O-N 3.36Å; D19-D22 PolarHBondContact O-N 2.72Å; D22-E24 PolarHBondContact O-N 2.59Å; D22-E24 WeakPolarHBondContact OD1-CB 3.26Å; D22-E24 PolarHBondContact OD1-N 3.06Å; D22-E24 VanDerWaalsContact OD1-N 3.13Å; D22-Q25 HydrophobicContact CB-CB 4.09Å; D22-Q25 HydrophobicContact CB-CG 4.36Å; D22-Q25 PolarHBondContact O-N 3.47Å; D22-Q25 PolarHBondContact OD1-N 3.09Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.38Å; D22-Q25 PolarHBondContact OD2-NE2 3.16Å; D22-L26 VanDerWaalsContact O-CG 3.24Å; D22-L26 WeakPolarHBondContact O-CG 3.44Å; D22-L26 PolarHBondContact O-N 2.91Å
23R96.3Very high97.3Very high146 Ų14656.8 Ų56.855%0.55126%0.259SS*.Hα-helixtrans-56.5-31.4-179.8-71-169.617395.8-1.8113.3R21 T27 L45R21-R23 PolarHBondContact O-N 2.88Å; R21-R23 VanDerWaalsContact O-N 3.13Å; R23-T27 WeakPolarHBondContact O-CB 3.46Å; R23-T27 PolarHBondContact O-N 3.18Å; R23-T27 PolarHBondContact O-OG1 3.26Å; R23-L45 HydrophobicContact CG-CD1 4.3Å; R23-L45 HydrophobicContact CG-CD2 4.24Å
24E96Very high97.3Very high127 Ų12756.1 Ų56.159%0.59326%0.257SS*.Hα-helixtrans-70.5-47.6-179.5-170.1-171.9146.800110.3D22 T27 R28D22-E24 PolarHBondContact O-N 2.59Å; D22-E24 WeakPolarHBondContact OD1-CB 3.26Å; D22-E24 PolarHBondContact OD1-N 3.06Å; D22-E24 VanDerWaalsContact OD1-N 3.13Å; E24-T27 PolarHBondContact O-N 3.44Å; E24-R28 VanDerWaalsContact O-CB 3.28Å; E24-R28 WeakPolarHBondContact O-CB 3.45Å; E24-R28 PolarHBondContact O-N 3.19Å; E24-R28 IonicContact OE1-CZ 2.93Å; E24-R28 IonicContact OE1-NH1 3.98Å; E24-R28 IonicContact OE1-NH2 3.02Å; E24-R28 PolarHBondContact OE1-NH2 3.1Å
25Q96.1Very high97.4Very high45 Ų4556.1 Ų56.121%0.2126%0.257CS..Hα-helixtrans-63.1-40.9174.2-75.6-17075.300112.3L5 D22 N29L5-Q25 HydrophobicContact CD2-CB 4.45Å; D22-Q25 HydrophobicContact CB-CB 4.09Å; D22-Q25 HydrophobicContact CB-CG 4.36Å; D22-Q25 PolarHBondContact O-N 3.47Å; D22-Q25 PolarHBondContact OD1-N 3.09Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.38Å; D22-Q25 PolarHBondContact OD2-NE2 3.16Å; Q25-N29 WeakPolarHBondContact O-CB 3.32Å; Q25-N29 PolarHBondContact O-N 2.83Å; Q25-N29 PolarHBondContact O-ND2 3.15Å
26L97.9Very high97.4Very high0 Ų056.2 Ų56.20%026%0.257CS..Hα-helixtrans-61.4-48.9177.6-65.7171.5000111D22 N29 N30 I31 I34 L45 M48 L85D22-L26 VanDerWaalsContact O-CG 3.24Å; D22-L26 WeakPolarHBondContact O-CG 3.44Å; D22-L26 PolarHBondContact O-N 2.91Å; L26-N29 PolarHBondContact O-N 2.86Å; L26-N30 PolarHBondContact O-N 3.4Å; L26-I31 HydrophobicContact CB-CB 4.32Å; L26-I31 HydrophobicContact CD2-CB 3.9Å; L26-I31 HydrophobicContact CD2-CD1 3.92Å; L26-I31 HydrophobicContact CD2-CG2 3.63Å; L26-I31 PolarHBondContact O-N 3.42Å; L26-I34 HydrophobicContact CD1-CD1 4.13Å; L26-I34 HydrophobicContact CD2-CD1 4.32Å; L26-L45 HydrophobicContact CD1-CD1 3.36Å; L26-M48 HydrophobicContact CB-CE 4.25Å; L26-M48 HydrophobicContact CD1-CE 4.21Å; L26-L85 HydrophobicContact CD2-CD2 3.76Å
27T97.4Very high97.5Very high105 Ų10555.7 Ų55.764%0.64425%0.254SS*.Hα-helixtrans-64.2-46.3-179.9-54.60000111.6R23 E24 N29 N30R23-T27 WeakPolarHBondContact O-CB 3.46Å; R23-T27 PolarHBondContact O-N 3.18Å; R23-T27 PolarHBondContact O-OG1 3.26Å; E24-T27 PolarHBondContact O-N 3.44Å; T27-N29 PolarHBondContact O-N 2.83Å; T27-N29 VanDerWaalsContact O-N 3.16Å; T27-N30 PolarHBondContact O-N 3.27Å; T27-N30 VanDerWaalsContact O-N 3.09Å
28R97.3Very high97.6Very high159 Ų15953.3 Ų53.360%0.624%0.244SC*.Hα-helixtrans-57.9-31.2179.8-177.2-174.8-67.1118.9-0112.8E24E24-R28 VanDerWaalsContact O-CB 3.28Å; E24-R28 WeakPolarHBondContact O-CB 3.45Å; E24-R28 PolarHBondContact O-N 3.19Å; E24-R28 IonicContact OE1-CZ 2.93Å; E24-R28 IonicContact OE1-NH1 3.98Å; E24-R28 IonicContact OE1-NH2 3.02Å; E24-R28 PolarHBondContact OE1-NH2 3.1Å
29N97.4Very high97.6Very high43 Ų4350.1 Ų50.123%0.2324%0.235CC..THydrogen-bonded Turntrans-100.913.4-177.3-70.8-78000113.2L5 Y13 Q25 L26 T27 I31L5-N29 HydrophobicContact CD2-CB 4.25Å; L5-N29 WeakPolarHBondContact CD2-ND2 3.39Å; Y13-N29 HydrophobicContact CE1-CB 3.82Å; Y13-N29 VanDerWaalsContact CE1-OD1 3.22Å; Y13-N29 WeakPolarHBondContact CE1-OD1 3.5Å; Y13-N29 HydrophobicContact CE2-CB 4.21Å; Y13-N29 PolarHBondContact OH-OD1 2.86Å; Q25-N29 WeakPolarHBondContact O-CB 3.32Å; Q25-N29 PolarHBondContact O-N 2.83Å; Q25-N29 PolarHBondContact O-ND2 3.15Å; L26-N29 PolarHBondContact O-N 2.86Å; T27-N29 PolarHBondContact O-N 2.83Å; T27-N29 VanDerWaalsContact O-N 3.16Å; N29-I31 HydrophobicContact CB-CD1 3.83Å; N29-I31 HydrophobicContact CB-CG1 3.99Å; N29-I31 PolarHBondContact O-N 2.93Å
30N98Very high97.6Very high89 Ų8954.3 Ų54.348%0.47626%0.264SS..THydrogen-bonded Turntrans5334.8-177.5-16841.5000113.2L26 T27 T32 G81 G83L26-N30 PolarHBondContact O-N 3.4Å; T27-N30 PolarHBondContact O-N 3.27Å; T27-N30 VanDerWaalsContact O-N 3.09Å; N30-T32 PolarHBondContact O-N 3.02Å; N30-G81 PolarHBondContact ND2-O 2.68Å; N30-G81 VanDerWaalsContact ND2-O 3.09Å; N30-G83 VanDerWaalsContact O-CA 3.29Å; N30-G83 WeakPolarHBondContact O-CA 3.36Å; N30-G83 PolarHBondContact O-N 3.17Å
31I98.7Very high97.6Very high4 Ų455.2 Ų55.22%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-82.3117.6-179.4-65.3163.9000109.3L5 Y13 L26 N29 H33 I34 G83 L85L5-I31 HydrophobicContact CD1-CD1 4.19Å; L5-I31 HydrophobicContact CD2-CD1 3.6Å; L5-I31 HydrophobicContact CG-CD1 4.5Å; Y13-I31 HydrophobicContact CD1-CD1 4.47Å; Y13-I31 HydrophobicContact CD2-CD1 3.94Å; Y13-I31 HydrophobicContact CD2-CG1 3.95Å; Y13-I31 HydrophobicContact CE2-CD1 4.46Å; Y13-I31 HydrophobicContact CE2-CG1 4.23Å; Y13-I31 HydrophobicContact CG-CD1 3.96Å; Y13-I31 HydrophobicContact CG-CG1 4.47Å; L26-I31 HydrophobicContact CB-CB 4.32Å; L26-I31 HydrophobicContact CD2-CB 3.9Å; L26-I31 HydrophobicContact CD2-CD1 3.92Å; L26-I31 HydrophobicContact CD2-CG2 3.63Å; L26-I31 PolarHBondContact O-N 3.42Å; N29-I31 HydrophobicContact CB-CD1 3.83Å; N29-I31 HydrophobicContact CB-CG1 3.99Å; N29-I31 PolarHBondContact O-N 2.93Å; I31-H33 WeakPolarHBondContact CG2-O 3.38Å; I31-I34 HydrophobicContact CG2-CG1 4.32Å; I31-G83 WeakPolarHBondContact CA-O 3.29Å; I31-L85 HydrophobicContact CD1-CB 4.23Å; I31-L85 HydrophobicContact CG2-CB 3.87Å
32T98.7Very high97.6Very high37 Ų3751.4 Ų51.423%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-116-19.2176.163.50000111.8N30 M48 T49 E82 G83N30-T32 PolarHBondContact O-N 3.02Å; T32-M48 WeakPolarHBondContact O-CA 3.45Å; T32-T49 PolarHBondContact O-N 2.62Å; T32-E82 WeakPolarHBondContact CB-OE2 3.48Å; T32-E82 HydrophobicContact CG2-CG 4.48Å; T32-E82 WeakPolarHBondContact OG1-CB 3.43Å; T32-E82 PolarHBondContact OG1-OE2 2.86Å; T32-G83 PolarHBondContact N-O 2.81Å
33H98.9Very high97.7Very high9 Ų953.4 Ų53.44%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-114132.5-177.7-72.671.9000111.2I31 T49 F73 E82 G83 C84 L85I31-H33 WeakPolarHBondContact CG2-O 3.38Å; H33-T49 CarbonylContact C-O 3.58Å; H33-T49 WeakPolarHBondContact CA-O 3.31Å; H33-F73 HydrophobicContact CB-CE1 3.83Å; H33-F73 HydrophobicContact CB-CZ 3.84Å; H33-F73 AromaticContact CD2-CE2 3.85Å; H33-F73 AromaticContact CD2-CZ 3.72Å; H33-E82 IonicContact CE1-OE2 3.03Å; H33-E82 PolarHBondContact CE1-OE2 2.68Å; H33-E82 IonicContact ND1-OE2 3.65Å; H33-E82 PolarHBondContact ND1-OE2 3.35Å; H33-G83 PolarHBondContact N-O 3.47Å; H33-C84 HydrophobicContact CB-CB 4.22Å; H33-C84 WeakPolarHBondContact O-CA 3.38Å; H33-L85 PolarHBondContact O-N 3.42Å
34I98.9Very high97.6Very high0 Ų049 Ų490%027%0.27CS..EExtended strand (participates in β ladder)trans-128.1113.4178.5-58.2177.2000110.2L26 I31 M48 T49 Y50 L51 L85L26-I34 HydrophobicContact CD1-CD1 4.13Å; L26-I34 HydrophobicContact CD2-CD1 4.32Å; I31-I34 HydrophobicContact CG2-CG1 4.32Å; I34-M48 HydrophobicContact CD1-CB 4.35Å; I34-M48 HydrophobicContact CD1-CG 4.15Å; I34-M48 HydrophobicContact CD1-SD 4.42Å; I34-T49 PolarHBondContact N-O 2.98Å; I34-Y50 HydrophobicContact CB-CD1 3.77Å; I34-Y50 HydrophobicContact CB-CE1 3.56Å; I34-Y50 HydrophobicContact CD1-CE1 3.96Å; I34-Y50 HydrophobicContact CG1-CE1 4.29Å; I34-Y50 HydrophobicContact CG2-CD1 3.99Å; I34-Y50 HydrophobicContact CG2-CE1 3.64Å; I34-Y50 WeakPolarHBondContact O-CA 3.15Å; I34-L51 PolarHBondContact O-N 3.3Å; I34-L85 CarbonylContact C-O 3.58Å; I34-L85 WeakPolarHBondContact CA-O 3.29Å; I34-L85 HydrophobicContact CG1-CB 4.43Å
35L98.9Very high97.6Very high0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-90.1106.5167.1-165172.6000108.6I37 L51 I53 F73 I74 L85 V86 H87 L98L35-I37 HydrophobicContact CD2-CB 4.19Å; L35-I37 HydrophobicContact CD2-CG2 4.23Å; L35-L51 CarbonylContact C-O 3.56Å; L35-L51 WeakPolarHBondContact CA-O 3.28Å; L35-L51 HydrophobicContact CD1-CD2 4Å; L35-L51 HydrophobicContact CG-CB 4.22Å; L35-L51 HydrophobicContact CG-CD2 4Å; L35-L51 HydrophobicContact CG-CG 4.17Å; L35-I53 HydrophobicContact CD2-CD1 4.15Å; L35-F73 HydrophobicContact CB-CD1 4.03Å; L35-F73 HydrophobicContact CB-CE1 4Å; L35-F73 HydrophobicContact CD1-CD1 4.46Å; L35-F73 HydrophobicContact CG-CD1 4.47Å; L35-I74 HydrophobicContact CD1-CD1 4.29Å; L35-I74 HydrophobicContact CD1-CG1 4.36Å; L35-L85 PolarHBondContact N-O 3.04Å; L35-V86 HydrophobicContact CB-CB 4.45Å; L35-V86 HydrophobicContact CB-CG1 4.22Å; L35-V86 HydrophobicContact CB-CG2 4.2Å; L35-V86 HydrophobicContact CD1-CG1 4.27Å; L35-V86 HydrophobicContact CD1-CG2 4.46Å; L35-V86 HydrophobicContact CD2-CG1 4.1Å; L35-V86 HydrophobicContact CG-CG1 4.42Å; L35-V86 WeakPolarHBondContact O-CA 3.49Å; L35-H87 PolarHBondContact O-N 3.22Å; L35-L98 HydrophobicContact CD1-CD1 4.06Å; L35-L98 HydrophobicContact CD2-CD1 3.63Å
36S98.8Very high97.6Very high1 Ų146.7 Ų46.71%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-100.5118180-166.40000110.7H38 A41 L51 C52 I53 H87S36-H38 PolarHBondContact OG-CD2 3.14Å; S36-H38 PolarHBondContact OG-NE2 3.39Å; S36-A41 WeakPolarHBondContact O-CB 3.23Å; S36-L51 PolarHBondContact N-O 3.33Å; S36-C52 CarbonylContact O-C 3.55Å; S36-C52 WeakPolarHBondContact O-CA 3.43Å; S36-I53 PolarHBondContact O-N 3.04Å; S36-H87 VanDerWaalsContact CB-NE2 3.32Å; S36-H87 WeakPolarHBondContact CB-NE2 3.33Å; S36-H87 PolarHBondContact OG-CE1 3.18Å; S36-H87 VanDerWaalsContact OG-CE1 3.24Å; S36-H87 PolarHBondContact OG-NE2 3.38Å
37I98.8Very high97.5Very high0 Ų050.6 Ų50.60%031%0.309CS..EExtended strand (participates in β ladder)trans-126.696.3177.4-176.9168.9000112.3L35 I53 A55 L63 H87 C88 R94 L98L35-I37 HydrophobicContact CD2-CB 4.19Å; L35-I37 HydrophobicContact CD2-CG2 4.23Å; I37-I53 WeakPolarHBondContact CA-O 3.46Å; I37-I53 HydrophobicContact CB-CB 4.27Å; I37-I53 HydrophobicContact CD1-CB 4.36Å; I37-I53 HydrophobicContact CD1-CG2 3.97Å; I37-I53 HydrophobicContact CG1-CB 4.12Å; I37-I53 HydrophobicContact CG1-CG2 4.06Å; I37-A55 HydrophobicContact CD1-CB 3.99Å; I37-A55 HydrophobicContact CG1-CB 3.89Å; I37-L63 HydrophobicContact CD1-CD1 4.31Å; I37-L63 HydrophobicContact CD1-CD2 3.72Å; I37-H87 WeakPolarHBondContact CG2-O 3.39Å; I37-H87 PolarHBondContact N-O 3.23Å; I37-C88 HydrophobicContact CG2-CB 4.11Å; I37-C88 VanDerWaalsContact O-CA 3.26Å; I37-C88 WeakPolarHBondContact O-CA 3.48Å; I37-C88 WeakPolarHBondContact O-CB 3.32Å; I37-R94 HydrophobicContact CD1-CB 4.17Å; I37-R94 HydrophobicContact CG1-CB 4.12Å; I37-R94 HydrophobicContact CG2-CB 4.05Å; I37-L98 HydrophobicContact CB-CD1 4.32Å; I37-L98 HydrophobicContact CD1-CD1 3.78Å; I37-L98 HydrophobicContact CD1-CG 4.29Å; I37-L98 HydrophobicContact CG2-CD1 4.03Å
38H98.1Very high97.5Very high12 Ų1247.8 Ų47.86%0.05629%0.289CS..SBendtrans-162173172.460.589.2000110.6F17 S36 S40 A41 I53 S54 A55 H87F17-H38 AromaticContact CD2-NE2 3.98Å; S36-H38 PolarHBondContact OG-CD2 3.14Å; S36-H38 PolarHBondContact OG-NE2 3.39Å; H38-S40 PolarHBondContact CE1-O 2.88Å; H38-S40 PolarHBondContact ND1-N 2.79Å; H38-S40 PolarHBondContact ND1-OG 2.89Å; H38-S40 PolarHBondContact O-N 2.77Å; H38-A41 VanDerWaalsContact CE1-CA 3.48Å; H38-A41 WeakPolarHBondContact CE1-CA 3.4Å; H38-A41 PolarHBondContact CE1-N 2.94Å; H38-A41 PolarHBondContact ND1-N 2.95Å; H38-A41 WeakPolarHBondContact O-CB 3.35Å; H38-A41 PolarHBondContact O-N 3.48Å; H38-I53 PolarHBondContact N-O 2.99Å; H38-S54 WeakPolarHBondContact O-CA 3.32Å; H38-A55 CarbonylContact C-O 3.2Å; H38-H87 AromaticContact CD2-CE1 3.91Å; H38-H87 AromaticContact NE2-CE1 3.92Å
39D96.6Very high97.6Very high94 Ų9443.7 Ų43.750%0.50328%0.282SS..THydrogen-bonded Turntrans-50.6-39.1-170.5-53.2-107.6000113.5S54 R94D39-S54 PolarHBondContact O-OG 3.15Å; D39-R94 IonicContact OD2-CZ 2.74Å; D39-R94 IonicContact OD2-NH1 3.87Å; D39-R94 PolarHBondContact OD2-NH1 3.21Å
40S96.3Very high97.6Very high94 Ų9443.5 Ų43.566%0.65728%0.279SS*.THydrogen-bonded Turntrans-116.533.3-179.755.60000114.1H38 A42H38-S40 PolarHBondContact CE1-O 2.88Å; H38-S40 PolarHBondContact ND1-N 2.79Å; H38-S40 PolarHBondContact ND1-OG 2.89Å; H38-S40 PolarHBondContact O-N 2.77Å; S40-A42 PolarHBondContact O-N 3.45Å
41A97.6Very high97.7Very high19 Ų1940.6 Ų40.616%0.15726%0.263CS..  trans-56.5124-178.700000111.8S36 H38 C52 I53S36-A41 WeakPolarHBondContact O-CB 3.23Å; H38-A41 VanDerWaalsContact CE1-CA 3.48Å; H38-A41 WeakPolarHBondContact CE1-CA 3.4Å; H38-A41 PolarHBondContact CE1-N 2.94Å; H38-A41 PolarHBondContact ND1-N 2.95Å; H38-A41 WeakPolarHBondContact O-CB 3.35Å; H38-A41 PolarHBondContact O-N 3.48Å; A41-C52 HydrophobicContact CB-CB 4.06Å; A41-I53 WeakPolarHBondContact CB-O 3.45Å
42A97.5Very high97.7Very high46 Ų4642.6 Ų42.638%0.3828%0.276SS..  trans-151.9158.9177.600000109.6S40 I44 C52S40-A42 PolarHBondContact O-N 3.45Å; A42-I44 PolarHBondContact O-N 3.13Å; A42-C52 VanDerWaalsContact CA-SG 3.58Å
43P97.6Very high97.7Very high91 Ų9141 Ų4159%0.59127%0.267SS*.  trans-58.2134.6169.9-24.736000111.2Y50P43-Y50 HydrophobicContact CB-CD2 3.65Å; P43-Y50 HydrophobicContact CB-CE2 3.88Å; P43-Y50 HydrophobicContact CB-CG 4.01Å; P43-Y50 HydrophobicContact CG-CD2 4.19Å; P43-Y50 HydrophobicContact CG-CG 4.17Å
44I95.3Very high97.7Very high53 Ų5344.6 Ų44.627%0.27229%0.293SS..  trans-126-17.8-174.853.5173.6000114.2A20 R21 A42 Y50A20-I44 HydrophobicContact CB-CD1 4.37Å; R21-I44 HydrophobicContact CG-CD1 3.62Å; A42-I44 PolarHBondContact O-N 3.13Å; I44-Y50 HydrophobicContact CG1-CE1 4.24Å; I44-Y50 VanDerWaalsContact CG1-OH 3.29Å; I44-Y50 WeakPolarHBondContact CG1-OH 3.49Å; I44-Y50 PolarHBondContact N-OH 2.9Å
45L96.1Very high97.6Very high17 Ų1744.6 Ų44.69%0.08929%0.293CS..SBendtrans-127.3134.4179.1-59.7174.5000109.8A20 R23 L26 M48 Y50A20-L45 WeakPolarHBondContact O-CD1 3.5Å; R23-L45 HydrophobicContact CG-CD1 4.3Å; R23-L45 HydrophobicContact CG-CD2 4.24Å; L26-L45 HydrophobicContact CD1-CD1 3.36Å; L45-M48 HydrophobicContact CB-CG 4.06Å; L45-Y50 WeakPolarHBondContact CB-OH 3.3Å; L45-Y50 PolarHBondContact N-OH 3.17Å; L45-Y50 WeakPolarHBondContact O-CE2 3.47Å
46P95.5Very high97.6Very high108 Ų10845.5 Ų45.570%0.70130%0.3SS*.THydrogen-bonded Turntrans-68.9153.7171.530.7-34.7000110.8M48P46-M48 VanDerWaalsContact C-N 3.29Å; P46-M48 PolarHBondContact O-N 2.96Å
47G94.9Very high97.6Very high82 Ų8248.2 Ų48.285%0.84532%0.315SS*.THydrogen-bonded Turntrans77.89.5177.200000115.1
48M97.9Very high97.6Very high45 Ų4552.8 Ų52.822%0.22234%0.339CS..  trans-112.8144.2176.4-62.3-69.2172.100109.9L26 T32 I34 L45 P46 Y50L26-M48 HydrophobicContact CB-CE 4.25Å; L26-M48 HydrophobicContact CD1-CE 4.21Å; T32-M48 WeakPolarHBondContact O-CA 3.45Å; I34-M48 HydrophobicContact CD1-CB 4.35Å; I34-M48 HydrophobicContact CD1-CG 4.15Å; I34-M48 HydrophobicContact CD1-SD 4.42Å; L45-M48 HydrophobicContact CB-CG 4.06Å; P46-M48 VanDerWaalsContact C-N 3.29Å; P46-M48 PolarHBondContact O-N 2.96Å; M48-Y50 HydrophobicContact CB-CD2 4.13Å; M48-Y50 HydrophobicContact CB-CE2 3.52Å; M48-Y50 WeakPolarHBondContact O-CD2 3.27Å
49T98.7Very high97.6Very high73 Ų7355.8 Ų55.845%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-87.5130.9171.1-55.50000109T32 H33 I34 F73T32-T49 PolarHBondContact O-N 2.62Å; H33-T49 CarbonylContact C-O 3.58Å; H33-T49 WeakPolarHBondContact CA-O 3.31Å; I34-T49 PolarHBondContact N-O 2.98Å; T49-F73 HydrophobicContact CG2-CE2 3.99Å; T49-F73 HydrophobicContact CG2-CZ 4.43Å
50Y98.8Very high97.6Very high40 Ų4057.4 Ų57.416%0.15737%0.372CS..EExtended strand (participates in β ladder)trans-118.9141.5-175.6-77.5-89.2000113.4I34 P43 I44 L45 M48I34-Y50 HydrophobicContact CB-CD1 3.77Å; I34-Y50 HydrophobicContact CB-CE1 3.56Å; I34-Y50 HydrophobicContact CD1-CE1 3.96Å; I34-Y50 HydrophobicContact CG1-CE1 4.29Å; I34-Y50 HydrophobicContact CG2-CD1 3.99Å; I34-Y50 HydrophobicContact CG2-CE1 3.64Å; I34-Y50 WeakPolarHBondContact O-CA 3.15Å; P43-Y50 HydrophobicContact CB-CD2 3.65Å; P43-Y50 HydrophobicContact CB-CE2 3.88Å; P43-Y50 HydrophobicContact CB-CG 4.01Å; P43-Y50 HydrophobicContact CG-CD2 4.19Å; P43-Y50 HydrophobicContact CG-CG 4.17Å; I44-Y50 HydrophobicContact CG1-CE1 4.24Å; I44-Y50 VanDerWaalsContact CG1-OH 3.29Å; I44-Y50 WeakPolarHBondContact CG1-OH 3.49Å; I44-Y50 PolarHBondContact N-OH 2.9Å; L45-Y50 WeakPolarHBondContact CB-OH 3.3Å; L45-Y50 PolarHBondContact N-OH 3.17Å; L45-Y50 WeakPolarHBondContact O-CE2 3.47Å; M48-Y50 HydrophobicContact CB-CD2 4.13Å; M48-Y50 HydrophobicContact CB-CE2 3.52Å; M48-Y50 WeakPolarHBondContact O-CD2 3.27Å
51L98.9Very high97.7Very high28 Ų2855.3 Ų55.315%0.14735%0.352CS..EExtended strand (participates in β ladder)trans-115.7112.5154.2173.159.3000107.9I34 L35 S36 I53 Q69 F73I34-L51 PolarHBondContact O-N 3.3Å; L35-L51 CarbonylContact C-O 3.56Å; L35-L51 WeakPolarHBondContact CA-O 3.28Å; L35-L51 HydrophobicContact CD1-CD2 4Å; L35-L51 HydrophobicContact CG-CB 4.22Å; L35-L51 HydrophobicContact CG-CD2 4Å; L35-L51 HydrophobicContact CG-CG 4.17Å; S36-L51 PolarHBondContact N-O 3.33Å; L51-I53 HydrophobicContact CD1-CG1 4.39Å; L51-I53 HydrophobicContact CD2-CD1 4.27Å; L51-I53 HydrophobicContact CG-CD1 4.26Å; L51-I53 HydrophobicContact CG-CG1 4.3Å; L51-Q69 HydrophobicContact CD2-CG 4.34Å; L51-F73 HydrophobicContact CB-CB 4.47Å; L51-F73 HydrophobicContact CB-CD1 4.02Å; L51-F73 HydrophobicContact CB-CD2 3.63Å; L51-F73 HydrophobicContact CB-CE1 4.11Å; L51-F73 HydrophobicContact CB-CE2 3.7Å; L51-F73 HydrophobicContact CB-CG 3.78Å; L51-F73 HydrophobicContact CB-CZ 3.95Å; L51-F73 HydrophobicContact CD2-CB 3.74Å; L51-F73 HydrophobicContact CD2-CD1 4.46Å; L51-F73 HydrophobicContact CD2-CD2 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.96Å
52C98.8Very high97.8Very high45 Ų4557.6 Ų57.630%0.30436%0.362SS..EExtended strand (participates in β ladder)trans-106.6123-179.4-64.50000110.4S36 A41 A42S36-C52 CarbonylContact O-C 3.55Å; S36-C52 WeakPolarHBondContact O-CA 3.43Å; A41-C52 HydrophobicContact CB-CB 4.06Å; A42-C52 VanDerWaalsContact CA-SG 3.58Å
53I98.8Very high97.8Very high4 Ų455.4 Ų55.42%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-121.5113.1179.3-62.8165.4000108.2L35 S36 I37 H38 A41 L51 A55 H66 L98L35-I53 HydrophobicContact CD2-CD1 4.15Å; S36-I53 PolarHBondContact O-N 3.04Å; I37-I53 WeakPolarHBondContact CA-O 3.46Å; I37-I53 HydrophobicContact CB-CB 4.27Å; I37-I53 HydrophobicContact CD1-CB 4.36Å; I37-I53 HydrophobicContact CD1-CG2 3.97Å; I37-I53 HydrophobicContact CG1-CB 4.12Å; I37-I53 HydrophobicContact CG1-CG2 4.06Å; H38-I53 PolarHBondContact N-O 2.99Å; A41-I53 WeakPolarHBondContact CB-O 3.45Å; L51-I53 HydrophobicContact CD1-CG1 4.39Å; L51-I53 HydrophobicContact CD2-CD1 4.27Å; L51-I53 HydrophobicContact CG-CD1 4.26Å; L51-I53 HydrophobicContact CG-CG1 4.3Å; I53-A55 HydrophobicContact CG2-CB 4.19Å; I53-A55 PolarHBondContact O-N 2.95Å; I53-H66 HydrophobicContact CD1-CB 3.92Å; I53-L98 HydrophobicContact CD1-CD1 4.23Å
54S98.4Very high97.8Very high84 Ų8455.2 Ų55.259%0.58733%0.331SS*.  trans-75.9111.8170.5-179.10000109.6H38 D39H38-S54 WeakPolarHBondContact O-CA 3.32Å; D39-S54 PolarHBondContact O-OG 3.15Å
55A98.3Very high98Very high1 Ų158.7 Ų58.71%0.00835%0.348CS..  trans-152.7134.2179.800000111.8I37 H38 I53 Q61 L63 R94I37-A55 HydrophobicContact CD1-CB 3.99Å; I37-A55 HydrophobicContact CG1-CB 3.89Å; H38-A55 CarbonylContact C-O 3.2Å; I53-A55 HydrophobicContact CG2-CB 4.19Å; I53-A55 PolarHBondContact O-N 2.95Å; A55-Q61 HydrophobicContact CB-CG 3.99Å; A55-L63 HydrophobicContact CB-CD2 3.81Å; A55-R94 VanDerWaalsContact O-CD 3.26Å; A55-R94 WeakPolarHBondContact O-CD 3.45Å; A55-R94 PolarHBondContact O-NH1 2.92Å
56A98.2Very high98.1Very high19 Ų1959.2 Ų59.216%0.15735%0.35CS..  trans-78155175.200000111.5L58 Q61A56-L58 HydrophobicContact CB-CD1 4.09Å; A56-L58 HydrophobicContact CB-CG 4.05Å; A56-L58 PolarHBondContact O-N 2.82Å; A56-L58 VanDerWaalsContact O-N 3.13Å; A56-Q61 WeakPolarHBondContact O-CB 3.44Å; A56-Q61 WeakPolarHBondContact O-CG 3.47Å
57D98.4Very high98.3Very high57 Ų5754.1 Ų54.131%0.30532%0.317SS..SBendtrans-87.753.8173.6-154.5-9.2000111.8S93 R94 N128 F131D57-S93 VanDerWaalsContact OD1-CB 3.23Å; D57-S93 WeakPolarHBondContact OD1-CB 3.43Å; D57-S93 PolarHBondContact OD1-OG 3.26Å; D57-S93 VanDerWaalsContact OD2-CB 3.3Å; D57-S93 WeakPolarHBondContact OD2-CB 3.49Å; D57-R94 HydrophobicContact CB-CG 4.26Å; D57-R94 IonicContact OD2-NE 3.13Å; D57-N128 PolarHBondContact OD1-ND2 3.24Å; D57-F131 WeakPolarHBondContact OD1-CE2 3.42Å
58L98.4Very high98.4Very high97 Ų9755.3 Ų55.351%0.50830%0.298SS..SBendtrans-111.1143.7-179.1-64.6175.9000109.9A56 T60 Q61 F131A56-L58 HydrophobicContact CB-CD1 4.09Å; A56-L58 HydrophobicContact CB-CG 4.05Å; A56-L58 PolarHBondContact O-N 2.82Å; A56-L58 VanDerWaalsContact O-N 3.13Å; L58-T60 PolarHBondContact O-N 3.39Å; L58-Q61 WeakPolarHBondContact O-CB 3.24Å; L58-Q61 PolarHBondContact O-N 3.31Å; L58-F131 WeakPolarHBondContact O-CE1 3.35Å
59P97.9Very high98.5Very high74 Ų7457 Ų5748%0.48131%0.306SS..THydrogen-bonded Turntrans-56.5-23.5174.4-27.536000114.4N128P59-N128 WeakPolarHBondContact CA-OD1 3.07Å
60T97.9Very high98.5Very high128 Ų12853.6 Ų53.679%0.78529%0.285SS*.THydrogen-bonded Turntrans-84.1-14.2178.251.70000113.8L58 N62L58-T60 PolarHBondContact O-N 3.39Å; T60-N62 PolarHBondContact O-N 3.05Å
61Q98.6Very high98.5Very high50 Ų5051.7 Ų51.723%0.23428%0.278CS..SBendtrans-68.6127.4177.917870.455.500109.7A55 A56 L58 L63 F131 Q134A55-Q61 HydrophobicContact CB-CG 3.99Å; A56-Q61 WeakPolarHBondContact O-CB 3.44Å; A56-Q61 WeakPolarHBondContact O-CG 3.47Å; L58-Q61 WeakPolarHBondContact O-CB 3.24Å; L58-Q61 PolarHBondContact O-N 3.31Å; Q61-L63 HydrophobicContact CG-CD2 3.87Å; Q61-L63 HydrophobicContact CG-CG 4.48Å; Q61-L63 PolarHBondContact O-N 2.85Å; Q61-F131 HydrophobicContact CB-CE1 4Å; Q61-F131 HydrophobicContact CB-CZ 4.21Å; Q61-F131 HydrophobicContact CG-CE1 4.46Å; Q61-F131 WeakPolarHBondContact O-CE1 3.45Å; Q61-Q134 PolarHBondContact O-NE2 3.1Å
62N98.4Very high98.5Very high67 Ų6753 Ų5336%0.35828%0.284SS..  trans-84.6110.3176-174.7-2.4000110.3T60 R64T60-N62 PolarHBondContact O-N 3.05Å; N62-R64 WeakPolarHBondContact OD1-CB 3.44Å; N62-R64 PolarHBondContact OD1-N 2.8Å
63L98.7Very high98.5Very high0 Ų052.1 Ų52.10%028%0.275CS..  trans-96.2-18.5174-64-168.7000113.1I37 A55 Q61 M65 H66 F67 R94 T97 F131I37-L63 HydrophobicContact CD1-CD1 4.31Å; I37-L63 HydrophobicContact CD1-CD2 3.72Å; A55-L63 HydrophobicContact CB-CD2 3.81Å; Q61-L63 HydrophobicContact CG-CD2 3.87Å; Q61-L63 HydrophobicContact CG-CG 4.48Å; Q61-L63 PolarHBondContact O-N 2.85Å; L63-M65 PolarHBondContact O-N 2.83Å; L63-H66 WeakPolarHBondContact O-CB 3.35Å; L63-H66 PolarHBondContact O-N 2.87Å; L63-F67 HydrophobicContact CB-CE1 4.06Å; L63-F67 WeakPolarHBondContact O-CD1 3.48Å; L63-F67 WeakPolarHBondContact O-CE1 3.29Å; L63-F67 PolarHBondContact O-N 3.09Å; L63-R94 HydrophobicContact CD1-CG 4.47Å; L63-T97 HydrophobicContact CD1-CG2 4.02Å; L63-F131 HydrophobicContact CD1-CD1 3.87Å; L63-F131 HydrophobicContact CD1-CD2 3.8Å; L63-F131 HydrophobicContact CD1-CE1 3.67Å; L63-F131 HydrophobicContact CD1-CE2 3.58Å; L63-F131 HydrophobicContact CD1-CG 3.97Å; L63-F131 HydrophobicContact CD1-CZ 3.52Å; L63-F131 HydrophobicContact CD2-CZ 4.46Å; L63-F131 HydrophobicContact CG-CD1 4Å; L63-F131 HydrophobicContact CG-CE1 3.61Å; L63-F131 HydrophobicContact CG-CE2 4.4Å; L63-F131 HydrophobicContact CG-CZ 3.84Å
64R97.8Very high98.5Very high88 Ų8851.9 Ų51.933%0.33227%0.274SS..G310 helixtrans-57-37.2179.9-65.7-170.8-72148.6-15.1112.4N62 H66 F67 Q134 E137N62-R64 WeakPolarHBondContact OD1-CB 3.44Å; N62-R64 PolarHBondContact OD1-N 2.8Å; R64-H66 PolarHBondContact O-N 3.39Å; R64-F67 HydrophobicContact CB-CE2 4.46Å; R64-F67 HydrophobicContact CG-CD2 4.49Å; R64-F67 HydrophobicContact CG-CE2 3.97Å; R64-F67 HydrophobicContact CG-CZ 4.16Å; R64-F67 WeakPolarHBondContact O-CB 3.22Å; R64-F67 PolarHBondContact O-N 3.03Å; R64-F67 VanDerWaalsContact O-N 3.08Å; R64-Q134 HydrophobicContact CG-CB 3.82Å; R64-Q134 HydrophobicContact CG-CG 4.07Å; R64-E137 IonicContact CZ-OE2 3.14Å; R64-E137 IonicContact NE-OE2 3.87Å; R64-E137 PolarHBondContact NE-OE2 2.87Å; R64-E137 IonicContact NH1-OE2 2.68Å; R64-E137 IonicContact NH2-OE2 3.77Å; R64-E137 PolarHBondContact NH2-OE2 2.83Å
65M98.1Very high98.5Very high126 Ų12648.3 Ų48.362%0.62125%0.248SC*.G310 helixtrans-60.1-18.8176.767.4-177.1-69.600113.6L63L63-M65 PolarHBondContact O-N 2.83Å
66H98.8Very high98.5Very high28 Ų2851.8 Ų51.813%0.1326%0.264CS..G310 helixtrans-102.4-5.1179.5-58.1-57.5000113.9I53 L63 R64 K68 Q69 S70I53-H66 HydrophobicContact CD1-CB 3.92Å; L63-H66 WeakPolarHBondContact O-CB 3.35Å; L63-H66 PolarHBondContact O-N 2.87Å; R64-H66 PolarHBondContact O-N 3.39Å; H66-K68 PolarHBondContact O-N 3.11Å; H66-Q69 HydrophobicContact CB-CG 4.43Å; H66-Q69 PolarHBondContact ND1-NE2 2.92Å; H66-Q69 VanDerWaalsContact O-CG 3.26Å; H66-Q69 WeakPolarHBondContact O-CG 3.4Å; H66-S70 VanDerWaalsContact O-CB 3.27Å; H66-S70 WeakPolarHBondContact O-CB 3.38Å; H66-S70 PolarHBondContact O-N 3.5Å; H66-S70 PolarHBondContact O-OG 3.22Å
67F98.8Very high98.5Very high1 Ų150.9 Ų50.90%0.00426%0.256CS..Hα-helixtrans-59.4-48.5-176.5-73.61.5000111.4L63 R64 Q69 S70 I71 T97 L98 A101 L135 F138 F146L63-F67 HydrophobicContact CB-CE1 4.06Å; L63-F67 WeakPolarHBondContact O-CD1 3.48Å; L63-F67 WeakPolarHBondContact O-CE1 3.29Å; L63-F67 PolarHBondContact O-N 3.09Å; R64-F67 HydrophobicContact CB-CE2 4.46Å; R64-F67 HydrophobicContact CG-CD2 4.49Å; R64-F67 HydrophobicContact CG-CE2 3.97Å; R64-F67 HydrophobicContact CG-CZ 4.16Å; R64-F67 WeakPolarHBondContact O-CB 3.22Å; R64-F67 PolarHBondContact O-N 3.03Å; R64-F67 VanDerWaalsContact O-N 3.08Å; F67-Q69 PolarHBondContact O-N 3.43Å; F67-S70 PolarHBondContact O-N 3.42Å; F67-I71 HydrophobicContact CB-CD1 4.25Å; F67-I71 WeakPolarHBondContact O-CB 3.33Å; F67-I71 WeakPolarHBondContact O-CD1 3.36Å; F67-I71 WeakPolarHBondContact O-CG1 3.24Å; F67-I71 PolarHBondContact O-N 3.44Å; F67-T97 HydrophobicContact CE1-CG2 4.03Å; F67-T97 HydrophobicContact CZ-CG2 4.08Å; F67-L98 HydrophobicContact CD1-CD2 3.81Å; F67-L98 HydrophobicContact CE1-CD2 3.99Å; F67-A101 HydrophobicContact CD1-CB 4.09Å; F67-A101 HydrophobicContact CD2-CB 3.86Å; F67-A101 HydrophobicContact CE1-CB 4.11Å; F67-A101 HydrophobicContact CE2-CB 3.87Å; F67-A101 HydrophobicContact CG-CB 3.97Å; F67-A101 HydrophobicContact CZ-CB 4Å; F67-L135 HydrophobicContact CE2-CD2 4.35Å; F67-L135 HydrophobicContact CZ-CD2 4.04Å; F67-F138 HydrophobicContact CD2-CB 4.42Å; F67-F138 HydrophobicContact CD2-CD1 4.3Å; F67-F138 AromaticContact CD2-CD2 3.71Å; F67-F138 HydrophobicContact CD2-CD2 3.71Å; F67-F138 AromaticContact CD2-CE2 4Å; F67-F138 HydrophobicContact CD2-CE2 4Å; F67-F138 AromaticContact CD2-CG 3.89Å; F67-F138 HydrophobicContact CD2-CG 3.89Å; F67-F138 HydrophobicContact CD2-CZ 4.42Å; F67-F138 HydrophobicContact CE2-CB 3.88Å; F67-F138 HydrophobicContact CE2-CD1 4.19Å; F67-F138 HydrophobicContact CE2-CD2 4.04Å; F67-F138 AromaticContact CE2-CG 3.77Å; F67-F138 HydrophobicContact CE2-CG 3.77Å; F67-F146 HydrophobicContact CB-CE1 4.1Å
68K98.6Very high98.5Very high106 Ų10648.3 Ų48.346%0.46124%0.242SC..Hα-helixtrans-56.8-54.4-177.1-167175.3-175.5173.70112.4H66 S70 I71 M72 F146 W149H66-K68 PolarHBondContact O-N 3.11Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-S70 PolarHBondContact O-N 3.03Å; K68-I71 PolarHBondContact O-N 3.35Å; K68-M72 WeakPolarHBondContact O-CG 3.24Å; K68-M72 PolarHBondContact O-N 3.36Å; K68-F146 HydrophobicContact CB-CE1 3.96Å; K68-F146 HydrophobicContact CB-CZ 4.19Å; K68-F146 HydrophobicContact CG-CE1 4.45Å; K68-W149 HydrophobicContact CD-CH2 4.46Å; K68-W149 HydrophobicContact CD-CZ2 4.21Å; K68-W149 HydrophobicContact CG-CH2 3.52Å; K68-W149 HydrophobicContact CG-CZ2 3.7Å; K68-W149 HydrophobicContact CG-CZ3 4.02Å
69Q98.7Very high98.4Very high81 Ų8146.4 Ų46.438%0.37923%0.232SC..Hα-helixtrans-64.4-36.3179.663.9177.310.900112.8L51 H66 F67 F73L51-Q69 HydrophobicContact CD2-CG 4.34Å; H66-Q69 HydrophobicContact CB-CG 4.43Å; H66-Q69 PolarHBondContact ND1-NE2 2.92Å; H66-Q69 VanDerWaalsContact O-CG 3.26Å; H66-Q69 WeakPolarHBondContact O-CG 3.4Å; F67-Q69 PolarHBondContact O-N 3.43Å; Q69-F73 WeakPolarHBondContact O-CB 3.46Å; Q69-F73 PolarHBondContact O-N 2.83Å
70S98.9Very high98.3Very high1 Ų148.9 Ų48.91%0.00724%0.235CC..Hα-helixtrans-67.6-42.5178.9-56.60000111.1H66 F67 K68 F73 I74H66-S70 VanDerWaalsContact O-CB 3.27Å; H66-S70 WeakPolarHBondContact O-CB 3.38Å; H66-S70 PolarHBondContact O-N 3.5Å; H66-S70 PolarHBondContact O-OG 3.22Å; F67-S70 PolarHBondContact O-N 3.42Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-S70 PolarHBondContact O-N 3.03Å; S70-F73 PolarHBondContact O-N 2.95Å; S70-I74 WeakPolarHBondContact O-CD1 3.28Å; S70-I74 VanDerWaalsContact O-CG1 3.24Å; S70-I74 WeakPolarHBondContact O-CG1 3.36Å; S70-I74 PolarHBondContact O-N 3.02Å
71I98.8Very high98.3Very high1 Ų144.5 Ų44.51%0.00522%0.216CC..Hα-helixtrans-63.3-47.1177.8-71.2163.6000110.2F67 K68 F73 I74 H75 Y102 T105 F146 W149 L150F67-I71 HydrophobicContact CB-CD1 4.25Å; F67-I71 WeakPolarHBondContact O-CB 3.33Å; F67-I71 WeakPolarHBondContact O-CD1 3.36Å; F67-I71 WeakPolarHBondContact O-CG1 3.24Å; F67-I71 PolarHBondContact O-N 3.44Å; K68-I71 PolarHBondContact O-N 3.35Å; I71-F73 PolarHBondContact O-N 3.37Å; I71-I74 PolarHBondContact O-N 3.04Å; I71-H75 VanDerWaalsContact O-CB 3.23Å; I71-H75 WeakPolarHBondContact O-CB 3.25Å; I71-H75 PolarHBondContact O-N 3.38Å; I71-Y102 HydrophobicContact CB-CD2 4.33Å; I71-Y102 HydrophobicContact CG1-CD2 4.3Å; I71-Y102 HydrophobicContact CG2-CD2 4.05Å; I71-Y102 HydrophobicContact CG2-CE2 4.47Å; I71-T105 HydrophobicContact CD1-CG2 4.37Å; I71-T105 WeakPolarHBondContact CD1-OG1 3.42Å; I71-T105 HydrophobicContact CG2-CG2 4.19Å; I71-F146 HydrophobicContact CD1-CD1 3.62Å; I71-F146 HydrophobicContact CD1-CE1 3.94Å; I71-W149 HydrophobicContact CG2-CH2 4.47Å; I71-W149 HydrophobicContact CG2-CZ3 4.07Å; I71-L150 HydrophobicContact CG2-CD1 3.82Å; I71-L150 HydrophobicContact CG2-CD2 4.46Å
72M98.6Very high98.2Very high56 Ų5644.8 Ų44.828%0.27622%0.217SC..Hα-helixtrans-57.8-50.1176.1-66.2-178.459.600111.4K68 I74 H75 E76 W149 L153K68-M72 WeakPolarHBondContact O-CG 3.24Å; K68-M72 PolarHBondContact O-N 3.36Å; M72-I74 VanDerWaalsContact C-N 3.33Å; M72-I74 PolarHBondContact O-N 3.41Å; M72-H75 PolarHBondContact O-N 2.85Å; M72-H75 VanDerWaalsContact O-N 3.1Å; M72-E76 WeakPolarHBondContact O-CB 3.33Å; M72-E76 WeakPolarHBondContact O-CG 3.27Å; M72-E76 PolarHBondContact O-N 3.44Å; M72-W149 HydrophobicContact CG-CH2 3.44Å; M72-W149 VanDerWaalsContact CG-CH2 3.44Å; M72-W149 HydrophobicContact CG-CZ2 3.62Å; M72-W149 HydrophobicContact SD-CH2 4.11Å; M72-W149 HydrophobicContact SD-CZ2 3.71Å; M72-L153 HydrophobicContact CE-CD2 4.08Å; M72-L153 HydrophobicContact SD-CD2 4.48Å
73F98.9Very high98.2Very high25 Ų2541.6 Ų41.611%0.1120%0.2CC..Hα-helixtrans-59-43.5-177.4-175.2-93.8000112.7H33 L35 T49 L51 Q69 S70 I71 S77H33-F73 HydrophobicContact CB-CE1 3.83Å; H33-F73 HydrophobicContact CB-CZ 3.84Å; H33-F73 AromaticContact CD2-CE2 3.85Å; H33-F73 AromaticContact CD2-CZ 3.72Å; L35-F73 HydrophobicContact CB-CD1 4.03Å; L35-F73 HydrophobicContact CB-CE1 4Å; L35-F73 HydrophobicContact CD1-CD1 4.46Å; L35-F73 HydrophobicContact CG-CD1 4.47Å; T49-F73 HydrophobicContact CG2-CE2 3.99Å; T49-F73 HydrophobicContact CG2-CZ 4.43Å; L51-F73 HydrophobicContact CB-CB 4.47Å; L51-F73 HydrophobicContact CB-CD1 4.02Å; L51-F73 HydrophobicContact CB-CD2 3.63Å; L51-F73 HydrophobicContact CB-CE1 4.11Å; L51-F73 HydrophobicContact CB-CE2 3.7Å; L51-F73 HydrophobicContact CB-CG 3.78Å; L51-F73 HydrophobicContact CB-CZ 3.95Å; L51-F73 HydrophobicContact CD2-CB 3.74Å; L51-F73 HydrophobicContact CD2-CD1 4.46Å; L51-F73 HydrophobicContact CD2-CD2 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.96Å; Q69-F73 WeakPolarHBondContact O-CB 3.46Å; Q69-F73 PolarHBondContact O-N 2.83Å; S70-F73 PolarHBondContact O-N 2.95Å; I71-F73 PolarHBondContact O-N 3.37Å; F73-S77 PolarHBondContact O-N 2.75Å; F73-S77 PolarHBondContact O-OG 3.19Å
74I98.8Very high98.2Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-67.3-43.4175.2-64.1162.7000110.5L12 L35 S70 I71 M72 S77 R78 V86 Y102L12-I74 HydrophobicContact CD1-CG1 4.45Å; L12-I74 HydrophobicContact CD1-CG2 3.68Å; L12-I74 HydrophobicContact CD2-CG2 4.12Å; L12-I74 HydrophobicContact CG-CG2 4.42Å; L35-I74 HydrophobicContact CD1-CD1 4.29Å; L35-I74 HydrophobicContact CD1-CG1 4.36Å; S70-I74 WeakPolarHBondContact O-CD1 3.28Å; S70-I74 VanDerWaalsContact O-CG1 3.24Å; S70-I74 WeakPolarHBondContact O-CG1 3.36Å; S70-I74 PolarHBondContact O-N 3.02Å; I71-I74 PolarHBondContact O-N 3.04Å; M72-I74 VanDerWaalsContact C-N 3.33Å; M72-I74 PolarHBondContact O-N 3.41Å; I74-S77 PolarHBondContact O-OG 3.35Å; I74-R78 VanDerWaalsContact O-CG 3.31Å; I74-R78 WeakPolarHBondContact O-CG 3.41Å; I74-R78 PolarHBondContact O-N 2.88Å; I74-V86 HydrophobicContact CD1-CG2 3.78Å; I74-V86 HydrophobicContact CG1-CG2 3.99Å; I74-Y102 HydrophobicContact CB-CD2 3.89Å; I74-Y102 HydrophobicContact CB-CE2 3.98Å; I74-Y102 HydrophobicContact CB-CG 4.32Å; I74-Y102 HydrophobicContact CD1-CD2 4.35Å; I74-Y102 HydrophobicContact CD1-CG 4.17Å; I74-Y102 HydrophobicContact CG2-CD1 3.9Å; I74-Y102 HydrophobicContact CG2-CD2 3.77Å; I74-Y102 HydrophobicContact CG2-CE1 3.79Å; I74-Y102 HydrophobicContact CG2-CE2 3.65Å; I74-Y102 HydrophobicContact CG2-CG 3.9Å
75H98.5Very high98.3Very high9 Ų937.4 Ų37.44%0.04219%0.185CC..Hα-helixtrans-67.6-46.1-175.7-157.269.3000112.2I71 M72 S77 R78 L79 Y102 L150 Y154 F159I71-H75 VanDerWaalsContact O-CB 3.23Å; I71-H75 WeakPolarHBondContact O-CB 3.25Å; I71-H75 PolarHBondContact O-N 3.38Å; M72-H75 PolarHBondContact O-N 2.85Å; M72-H75 VanDerWaalsContact O-N 3.1Å; H75-S77 VanDerWaalsContact C-N 3.34Å; H75-S77 PolarHBondContact O-N 3.17Å; H75-R78 PolarHBondContact O-N 3.03Å; H75-L79 WeakPolarHBondContact O-CG 3.26Å; H75-L79 PolarHBondContact O-N 3.31Å; H75-Y102 HydrophobicContact CB-CE2 3.96Å; H75-Y102 AromaticContact ND1-CE2 3.88Å; H75-Y102 AromaticContact ND1-CZ 3.96Å; H75-Y102 PolarHBondContact ND1-OH 2.67Å; H75-Y102 VanDerWaalsContact ND1-OH 3.14Å; H75-L150 HydrophobicContact CB-CD1 4.44Å; H75-Y154 HydrophobicContact CB-CE2 4.47Å; H75-Y154 AromaticContact CD2-CD2 3.35Å; H75-Y154 WeakPolarHBondContact CD2-CD2 3.17Å; H75-Y154 AromaticContact CD2-CE2 3.49Å; H75-Y154 VanDerWaalsContact CD2-CE2 3.49Å; H75-Y154 WeakPolarHBondContact CD2-CE2 3.47Å; H75-Y154 AromaticContact CD2-CG 3.83Å; H75-Y154 AromaticContact NE2-CD2 3.8Å; H75-F159 AromaticContact CE1-CD2 3.97Å; H75-F159 AromaticContact CE1-CE2 3.6Å; H75-F159 AromaticContact ND1-CE2 3.95Å
76E98.3Very high98.3Very high73 Ų7331.4 Ų31.434%0.34116%0.155SC..Hα-helixtrans-65.4-34.9-177.9-71.2177.5176.900112.8M72 K80 Y154M72-E76 WeakPolarHBondContact O-CB 3.33Å; M72-E76 WeakPolarHBondContact O-CG 3.27Å; M72-E76 PolarHBondContact O-N 3.44Å; E76-K80 WeakPolarHBondContact O-CG 3.22Å; E76-K80 PolarHBondContact O-N 3.19Å; E76-Y154 HydrophobicContact CG-CE1 3.85Å; E76-Y154 WeakPolarHBondContact CG-OH 3.24Å; E76-Y154 PolarHBondContact OE1-OH 2.94Å; E76-Y154 VanDerWaalsContact OE1-OH 3.08Å
77S98.3Very high98.3Very high0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-67-46.6174.147.80000111.1F73 I74 H75 L79 K80 G81 E82 C84F73-S77 PolarHBondContact O-N 2.75Å; F73-S77 PolarHBondContact O-OG 3.19Å; I74-S77 PolarHBondContact O-OG 3.35Å; H75-S77 VanDerWaalsContact C-N 3.34Å; H75-S77 PolarHBondContact O-N 3.17Å; S77-L79 VanDerWaalsContact C-N 3.3Å; S77-L79 PolarHBondContact O-N 3.2Å; S77-K80 WeakPolarHBondContact O-CB 3.45Å; S77-K80 PolarHBondContact O-N 2.65Å; S77-K80 VanDerWaalsContact O-N 3.08Å; S77-G81 PolarHBondContact O-N 2.88Å; S77-E82 CarbonylContact C-O 3.33Å; S77-E82 WeakPolarHBondContact O-CB 3.35Å; S77-E82 PolarHBondContact O-N 3.2Å; S77-C84 WeakPolarHBondContact OG-CB 3.36Å
78R97.9Very high98.3Very high4 Ų430 Ų302%0.01515%0.149CC..Hα-helixtrans-60.6-38.1175.5-66.1179.776.4-144.611.9112.6P10 D11 I74 H75 K80 G81 Y102 F159 D161P10-R78 PolarHBondContact O-NE 3.31Å; P10-R78 PolarHBondContact O-NH2 3.14Å; D11-R78 HydrophobicContact CB-CG 4.2Å; I74-R78 VanDerWaalsContact O-CG 3.31Å; I74-R78 WeakPolarHBondContact O-CG 3.41Å; I74-R78 PolarHBondContact O-N 2.88Å; H75-R78 PolarHBondContact O-N 3.03Å; R78-K80 PolarHBondContact O-N 2.95Å; R78-G81 PolarHBondContact O-N 3.24Å; R78-Y102 WeakPolarHBondContact CD-OH 3.47Å; R78-Y102 PolarHBondContact NH1-OH 3.01Å; R78-F159 VanDerWaalsContact C-CZ 3.5Å; R78-F159 HydrophobicContact CB-CE1 4.02Å; R78-F159 HydrophobicContact CB-CE2 4.1Å; R78-F159 HydrophobicContact CB-CZ 3.53Å; R78-D161 IonicContact CZ-OD1 3.24Å; R78-D161 VanDerWaalsContact CZ-OD1 3.29Å; R78-D161 IonicContact CZ-OD2 3.01Å; R78-D161 IonicContact NH1-OD1 2.68Å; R78-D161 PolarHBondContact NH1-OD1 3Å; R78-D161 IonicContact NH1-OD2 3.99Å; R78-D161 PolarHBondContact NH1-OD2 3.15Å; R78-D161 IonicContact NH2-OD1 3.29Å; R78-D161 PolarHBondContact NH2-OD1 3.15Å; R78-D161 IonicContact NH2-OD2 3.93Å
79L97.1Very high98.2Very high57 Ų5729 Ų2930%0.29815%0.148SC..Hα-helixtrans-63.6-26.8177.9-75.4175.1000112.5H75 S77 G81 Y154 P158 F159H75-L79 WeakPolarHBondContact O-CG 3.26Å; H75-L79 PolarHBondContact O-N 3.31Å; S77-L79 VanDerWaalsContact C-N 3.3Å; S77-L79 PolarHBondContact O-N 3.2Å; L79-G81 VanDerWaalsContact C-N 3.27Å; L79-Y154 HydrophobicContact CD1-CD1 3.51Å; L79-Y154 HydrophobicContact CD1-CE1 3.98Å; L79-Y154 HydrophobicContact CD1-CG 3.9Å; L79-P158 HydrophobicContact CD2-CG 3.48Å; L79-P158 VanDerWaalsContact CD2-CG 3.48Å; L79-F159 HydrophobicContact CB-CZ 4.49Å; L79-F159 HydrophobicContact CD2-CE2 3.85Å; L79-F159 HydrophobicContact CD2-CZ 3.65Å; L79-F159 HydrophobicContact CG-CE2 4.2Å; L79-F159 HydrophobicContact CG-CZ 3.97Å
80K96.4Very high98.1Very high125 Ų12526.3 Ų26.354%0.54314%0.139SC..THydrogen-bonded Turntrans-82.2-2.7174-64.1167.3-171.7171.80113.2E76 S77 R78 E82E76-K80 WeakPolarHBondContact O-CG 3.22Å; E76-K80 PolarHBondContact O-N 3.19Å; S77-K80 WeakPolarHBondContact O-CB 3.45Å; S77-K80 PolarHBondContact O-N 2.65Å; S77-K80 VanDerWaalsContact O-N 3.08Å; R78-K80 PolarHBondContact O-N 2.95Å; K80-E82 VanDerWaalsContact C-N 3.25Å; K80-E82 HydrophobicContact CB-CB 4.3Å; K80-E82 HydrophobicContact CB-CG 3.83Å
81G96.8Very high98.1Very high37 Ų3726.2 Ų26.238%0.38114%0.139SC..THydrogen-bonded Turntrans69.225.8-169.700000112.8N30 S77 R78 L79N30-G81 PolarHBondContact ND2-O 2.68Å; N30-G81 VanDerWaalsContact ND2-O 3.09Å; S77-G81 PolarHBondContact O-N 2.88Å; R78-G81 PolarHBondContact O-N 3.24Å; L79-G81 VanDerWaalsContact C-N 3.27Å
82E98Very high98.1Very high56 Ų5628.1 Ų28.126%0.26215%0.15SC..  trans-108.5138.1-176.9-67-179.2-150.600111.4T32 H33 S77 K80T32-E82 WeakPolarHBondContact CB-OE2 3.48Å; T32-E82 HydrophobicContact CG2-CG 4.48Å; T32-E82 WeakPolarHBondContact OG1-CB 3.43Å; T32-E82 PolarHBondContact OG1-OE2 2.86Å; H33-E82 IonicContact CE1-OE2 3.03Å; H33-E82 PolarHBondContact CE1-OE2 2.68Å; H33-E82 IonicContact ND1-OE2 3.65Å; H33-E82 PolarHBondContact ND1-OE2 3.35Å; S77-E82 CarbonylContact C-O 3.33Å; S77-E82 WeakPolarHBondContact O-CB 3.35Å; S77-E82 PolarHBondContact O-N 3.2Å; K80-E82 VanDerWaalsContact C-N 3.25Å; K80-E82 HydrophobicContact CB-CB 4.3Å; K80-E82 HydrophobicContact CB-CG 3.83Å
83G98.4Very high98.1Very high0 Ų025.7 Ų25.70%014%0.138CC..EExtended strand (participates in β ladder)trans-71.5136-179.500000113D11 N30 I31 T32 H33D11-G83 WeakPolarHBondContact O-CA 3.39Å; N30-G83 VanDerWaalsContact O-CA 3.29Å; N30-G83 WeakPolarHBondContact O-CA 3.36Å; N30-G83 PolarHBondContact O-N 3.17Å; I31-G83 WeakPolarHBondContact CA-O 3.29Å; T32-G83 PolarHBondContact N-O 2.81Å; H33-G83 PolarHBondContact N-O 3.47Å
84C98.9Very high98.1Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-115.6123.8173.8-178.90000111.6D11 Y13 H33 S77D11-C84 PolarHBondContact O-N 3.3Å; Y13-C84 PolarHBondContact N-O 3.13Å; H33-C84 HydrophobicContact CB-CB 4.22Å; H33-C84 WeakPolarHBondContact O-CA 3.38Å; S77-C84 WeakPolarHBondContact OG-CB 3.36Å
85L98.8Very high98.1Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-96.2121.9168.6171.454.9000110.7L5 A20 L26 I31 H33 I34 L35 H87L5-L85 HydrophobicContact CD1-CD1 3.36Å; L5-L85 HydrophobicContact CD1-CD2 4.06Å; L5-L85 HydrophobicContact CD1-CG 4.21Å; A20-L85 HydrophobicContact CB-CD2 3.97Å; L26-L85 HydrophobicContact CD2-CD2 3.76Å; I31-L85 HydrophobicContact CD1-CB 4.23Å; I31-L85 HydrophobicContact CG2-CB 3.87Å; H33-L85 PolarHBondContact O-N 3.42Å; I34-L85 CarbonylContact C-O 3.58Å; I34-L85 WeakPolarHBondContact CA-O 3.29Å; I34-L85 HydrophobicContact CG1-CB 4.43Å; L35-L85 PolarHBondContact N-O 3.04Å; L85-H87 HydrophobicContact CD1-CB 4.24Å; L85-H87 HydrophobicContact CG-CB 4.25Å
86V98.9Very high98.1Very high0 Ų024.6 Ų24.60%013%0.133CC..EExtended strand (participates in β ladder)trans-100.9119.3166.1-1680000108.9L12 Y13 L14 G15 L35 I74 L98 V99L12-V86 HydrophobicContact CD1-CG2 3.93Å; Y13-V86 PolarHBondContact O-N 2.76Å; L14-V86 WeakPolarHBondContact CA-O 3.44Å; L14-V86 HydrophobicContact CD1-CB 4.45Å; L14-V86 WeakPolarHBondContact CD1-O 3.4Å; G15-V86 PolarHBondContact N-O 2.98Å; L35-V86 HydrophobicContact CB-CB 4.45Å; L35-V86 HydrophobicContact CB-CG1 4.22Å; L35-V86 HydrophobicContact CB-CG2 4.2Å; L35-V86 HydrophobicContact CD1-CG1 4.27Å; L35-V86 HydrophobicContact CD1-CG2 4.46Å; L35-V86 HydrophobicContact CD2-CG1 4.1Å; L35-V86 HydrophobicContact CG-CG1 4.42Å; L35-V86 WeakPolarHBondContact O-CA 3.49Å; I74-V86 HydrophobicContact CD1-CG2 3.78Å; I74-V86 HydrophobicContact CG1-CG2 3.99Å; V86-L98 HydrophobicContact CG1-CB 4.42Å; V86-V99 HydrophobicContact CB-CG2 3.73Å; V86-V99 HydrophobicContact CG1-CG2 4.03Å; V86-V99 HydrophobicContact CG2-CG2 3.75Å
87H98.7Very high98.1Very high0 Ų021.1 Ų21.10%012%0.117CC..EExtended strand (participates in β ladder)trans-135.5151.9-179.287.294.3000112.8G15 A20 L35 S36 I37 H38 L85G15-H87 WeakPolarHBondContact O-CA 3.24Å; G15-H87 WeakPolarHBondContact O-CB 3.45Å; A20-H87 HydrophobicContact CB-CB 4.39Å; L35-H87 PolarHBondContact O-N 3.22Å; S36-H87 VanDerWaalsContact CB-NE2 3.32Å; S36-H87 WeakPolarHBondContact CB-NE2 3.33Å; S36-H87 PolarHBondContact OG-CE1 3.18Å; S36-H87 VanDerWaalsContact OG-CE1 3.24Å; S36-H87 PolarHBondContact OG-NE2 3.38Å; I37-H87 WeakPolarHBondContact CG2-O 3.39Å; I37-H87 PolarHBondContact N-O 3.23Å; H38-H87 AromaticContact CD2-CE1 3.91Å; H38-H87 AromaticContact NE2-CE1 3.92Å; L85-H87 HydrophobicContact CD1-CB 4.24Å; L85-H87 HydrophobicContact CG-CB 4.25Å
88C98.1Very high98.1Very high0 Ų021.1 Ų21.10%012%0.117CC..  trans-124.1-156164.569.40000108.9N16 F17 I37 G91 R94 S95N16-C88 CarbonylContact C-O 3.56Å; F17-C88 PolarHBondContact N-O 3.28Å; F17-C88 VanDerWaalsContact N-O 3.14Å; I37-C88 HydrophobicContact CG2-CB 4.11Å; I37-C88 VanDerWaalsContact O-CA 3.26Å; I37-C88 WeakPolarHBondContact O-CA 3.48Å; I37-C88 WeakPolarHBondContact O-CB 3.32Å; C88-G91 VanDerWaalsContact SG-CA 3.59Å; C88-G91 PolarHBondContact SG-N 3.03Å; C88-R94 HydrophobicContact CB-CB 3.87Å; C88-S95 PolarHBondContact SG-OG 3.17Å
89L96.9Very high98.2Very high84 Ų8421 Ų2144%0.4412%0.116SC..SBendtrans-64.1-54.8176.3-172.962.1000111.7M1 N16 F17M1-L89 HydrophobicContact CE-CG 4.34Å; N16-L89 WeakPolarHBondContact CB-O 3.45Å; F17-L89 HydrophobicContact CB-CD1 4.27Å; F17-L89 PolarHBondContact N-O 2.92Å; F17-L89 VanDerWaalsContact N-O 3.11Å
90A97.1Very high98.3Very high24 Ų2418.2 Ų18.220%0.19810%0.102CC..SBendtrans-102.3-14.8-175.300000114.4M1 V92 R122M1-A90 HydrophobicContact CE-CB 4.41Å; M1-A90 HydrophobicContact CG-CB 3.97Å; A90-V92 HydrophobicContact CB-CB 4.22Å; A90-V92 HydrophobicContact CB-CG2 3.83Å; A90-R122 PolarHBondContact O-NH2 3.07Å
91G97.6Very high98.4Very high0 Ų012.3 Ų12.30%08%0.076CC..SBendtrans6636.9-169.500000113G15 C88 R122G15-G91 WeakPolarHBondContact O-CA 3.32Å; C88-G91 VanDerWaalsContact SG-CA 3.59Å; C88-G91 PolarHBondContact SG-N 3.03Å; G91-R122 WeakPolarHBondContact O-CD 3.4Å; G91-R122 PolarHBondContact O-NE 3.06Å
92V98.4Very high98.5Very high41 Ų4110.5 Ų10.525%0.2486%0.058CC..SBendtrans-116.6-46.4-172.2168.40000112.1A90 V96 C124 G126A90-V92 HydrophobicContact CB-CB 4.22Å; A90-V92 HydrophobicContact CB-CG2 3.83Å; V92-V96 WeakPolarHBondContact O-CB 3.32Å; V92-V96 WeakPolarHBondContact O-CG2 3.4Å; V92-C124 WeakPolarHBondContact CG1-O 3.44Å; V92-C124 HydrophobicContact CG2-CB 4.37Å; V92-G126 CarbonylContact O-C 3.6Å; V92-G126 PolarHBondContact O-N 3.44Å
93S98.7Very high98.5Very high4 Ų47.9 Ų7.93%0.0285%0.046CC..SBendtrans-118.8-80.7-169.2171.20000112.2D57 S95 V96 T97 N128 F131D57-S93 VanDerWaalsContact OD1-CB 3.23Å; D57-S93 WeakPolarHBondContact OD1-CB 3.43Å; D57-S93 PolarHBondContact OD1-OG 3.26Å; D57-S93 VanDerWaalsContact OD2-CB 3.3Å; D57-S93 WeakPolarHBondContact OD2-CB 3.49Å; S93-S95 PolarHBondContact O-N 3.23Å; S93-V96 WeakPolarHBondContact O-CA 3.48Å; S93-V96 WeakPolarHBondContact O-CB 3.34Å; S93-V96 PolarHBondContact O-N 3.2Å; S93-T97 PolarHBondContact O-N 3.46Å; S93-T97 PolarHBondContact O-OG1 2.89Å; S93-T97 VanDerWaalsContact O-OG1 3.12Å; S93-N128 PolarHBondContact OG-N 2.94Å; S93-F131 VanDerWaalsContact OG-CD2 3.23Å; S93-F131 WeakPolarHBondContact OG-CD2 3.4Å; S93-F131 WeakPolarHBondContact OG-CE2 3.37Å
94R98.8Very high98.5Very high11 Ų117.9 Ų7.94%0.0425%0.046CC..Hα-helixtrans-45.4-54.9-177.8-70.8168.8-80.5-165.4-5.4115.2I37 D39 A55 D57 L63 C88 T97 L98 F131I37-R94 HydrophobicContact CD1-CB 4.17Å; I37-R94 HydrophobicContact CG1-CB 4.12Å; I37-R94 HydrophobicContact CG2-CB 4.05Å; D39-R94 IonicContact OD2-CZ 2.74Å; D39-R94 IonicContact OD2-NH1 3.87Å; D39-R94 PolarHBondContact OD2-NH1 3.21Å; A55-R94 VanDerWaalsContact O-CD 3.26Å; A55-R94 WeakPolarHBondContact O-CD 3.45Å; A55-R94 PolarHBondContact O-NH1 2.92Å; D57-R94 HydrophobicContact CB-CG 4.26Å; D57-R94 IonicContact OD2-NE 3.13Å; L63-R94 HydrophobicContact CD1-CG 4.47Å; C88-R94 HydrophobicContact CB-CB 3.87Å; R94-T97 WeakPolarHBondContact O-CB 3.48Å; R94-T97 PolarHBondContact O-N 3.23Å; R94-L98 PolarHBondContact O-N 2.83Å; R94-F131 HydrophobicContact CB-CE2 4.4Å; R94-F131 HydrophobicContact CG-CE2 3.66Å; R94-F131 HydrophobicContact CG-CZ 4.07Å
95S98.8Very high98.5Very high0 Ų08 Ų80%05%0.047CC..Hα-helixtrans-68.6-36.6-179.253.40000112.6C88 S93 T97 L98 V99C88-S95 PolarHBondContact SG-OG 3.17Å; S93-S95 PolarHBondContact O-N 3.23Å; S95-T97 VanDerWaalsContact C-N 3.31Å; S95-T97 PolarHBondContact O-N 3.37Å; S95-L98 PolarHBondContact O-N 2.82Å; S95-V99 PolarHBondContact O-N 2.92Å; S95-V99 VanDerWaalsContact O-N 3.1Å
96V98.8Very high98.4Very high0 Ų09.3 Ų9.30%06%0.055CC..Hα-helixtrans-60.5-43.6174.4171.90000110.2L14 V92 S93 L98 V99 V100 L115 V118 A125 P127L14-V96 HydrophobicContact CD1-CG2 4.31Å; L14-V96 HydrophobicContact CD2-CG2 3.54Å; L14-V96 HydrophobicContact CG-CG2 4.49Å; V92-V96 WeakPolarHBondContact O-CB 3.32Å; V92-V96 WeakPolarHBondContact O-CG2 3.4Å; S93-V96 WeakPolarHBondContact O-CA 3.48Å; S93-V96 WeakPolarHBondContact O-CB 3.34Å; S93-V96 PolarHBondContact O-N 3.2Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.88Å; V96-V99 PolarHBondContact O-N 2.87Å; V96-V100 HydrophobicContact CG1-CG2 3.98Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.43Å; V96-V100 PolarHBondContact O-N 3.4Å; V96-L115 HydrophobicContact CG1-CD1 3.64Å; V96-V118 HydrophobicContact CG1-CG1 4.15Å; V96-V118 HydrophobicContact CG2-CG1 4.44Å; V96-A125 HydrophobicContact CG1-CB 4.04Å; V96-A125 HydrophobicContact CG2-CB 3.72Å; V96-P127 HydrophobicContact CB-CG 4.28Å; V96-P127 HydrophobicContact CG1-CG 3.68Å
97T98.9Very high98.3Very high0 Ų09.6 Ų9.60%06%0.056CC..Hα-helixtrans-56.2-45.3178.3-56.30000112.2L63 F67 S93 R94 S95 V100 A101 F131 L135L63-T97 HydrophobicContact CD1-CG2 4.02Å; F67-T97 HydrophobicContact CE1-CG2 4.03Å; F67-T97 HydrophobicContact CZ-CG2 4.08Å; S93-T97 PolarHBondContact O-N 3.46Å; S93-T97 PolarHBondContact O-OG1 2.89Å; S93-T97 VanDerWaalsContact O-OG1 3.12Å; R94-T97 WeakPolarHBondContact O-CB 3.48Å; R94-T97 PolarHBondContact O-N 3.23Å; S95-T97 VanDerWaalsContact C-N 3.31Å; S95-T97 PolarHBondContact O-N 3.37Å; T97-V100 PolarHBondContact O-N 2.86Å; T97-A101 PolarHBondContact O-N 3.43Å; T97-F131 HydrophobicContact CG2-CB 3.97Å; T97-F131 HydrophobicContact CG2-CG 4.36Å; T97-F131 WeakPolarHBondContact OG1-CB 3.47Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.48Å; T97-L135 HydrophobicContact CG2-CD1 4.16Å; T97-L135 HydrophobicContact CG2-CD2 4.15Å; T97-L135 HydrophobicContact CG2-CG 4.04Å
98L98.9Very high98Very high1 Ų112 Ų121%0.0058%0.081CC..Hα-helixtrans-67.4-39.8178.7-60.4-175.9000112.4L35 I37 I53 F67 V86 R94 S95 V96 A101 Y102L35-L98 HydrophobicContact CD1-CD1 4.06Å; L35-L98 HydrophobicContact CD2-CD1 3.63Å; I37-L98 HydrophobicContact CB-CD1 4.32Å; I37-L98 HydrophobicContact CD1-CD1 3.78Å; I37-L98 HydrophobicContact CD1-CG 4.29Å; I37-L98 HydrophobicContact CG2-CD1 4.03Å; I53-L98 HydrophobicContact CD1-CD1 4.23Å; F67-L98 HydrophobicContact CD1-CD2 3.81Å; F67-L98 HydrophobicContact CE1-CD2 3.99Å; V86-L98 HydrophobicContact CG1-CB 4.42Å; R94-L98 PolarHBondContact O-N 2.83Å; S95-L98 PolarHBondContact O-N 2.82Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.88Å; L98-A101 PolarHBondContact O-N 3.5Å; L98-Y102 PolarHBondContact O-N 3.19Å
99V98.9Very high97.9Very high0 Ų014.1 Ų14.10%09%0.092CC..Hα-helixtrans-66.5-39.9176.31700000111.7V8 L12 L14 V86 S95 V96 Y102 I103 V118V8-V99 HydrophobicContact CG1-CG1 4.17Å; L12-V99 HydrophobicContact CD1-CG2 4.47Å; L12-V99 HydrophobicContact CD2-CG1 4.27Å; L14-V99 HydrophobicContact CD1-CB 4.48Å; L14-V99 HydrophobicContact CD1-CG2 3.83Å; V86-V99 HydrophobicContact CB-CG2 3.73Å; V86-V99 HydrophobicContact CG1-CG2 4.03Å; V86-V99 HydrophobicContact CG2-CG2 3.75Å; S95-V99 PolarHBondContact O-N 2.92Å; S95-V99 VanDerWaalsContact O-N 3.1Å; V96-V99 PolarHBondContact O-N 2.87Å; V99-Y102 WeakPolarHBondContact O-CB 3.47Å; V99-Y102 PolarHBondContact O-N 3.32Å; V99-I103 HydrophobicContact CG1-CD1 3.9Å; V99-I103 HydrophobicContact CG1-CG1 4.47Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 3.42Å; V99-V118 HydrophobicContact CG1-CG2 3.9Å
100V98.9Very high98Very high0 Ų010.6 Ų10.60%08%0.076CC..Hα-helixtrans-62.9-46.8175.5172.20000110.5V96 T97 Y102 I103 M104 W111 A114 L115 V118 L135V96-V100 HydrophobicContact CG1-CG2 3.98Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.43Å; V96-V100 PolarHBondContact O-N 3.4Å; T97-V100 PolarHBondContact O-N 2.86Å; V100-Y102 VanDerWaalsContact C-N 3.26Å; V100-Y102 PolarHBondContact O-N 3.4Å; V100-I103 PolarHBondContact O-N 2.93Å; V100-M104 HydrophobicContact CG1-CG 4.33Å; V100-M104 HydrophobicContact CG1-SD 3.89Å; V100-M104 VanDerWaalsContact O-CG 3.24Å; V100-M104 WeakPolarHBondContact O-CG 3.48Å; V100-M104 PolarHBondContact O-N 3.17Å; V100-W111 HydrophobicContact CG1-CB 4.3Å; V100-A114 HydrophobicContact CG1-CB 3.89Å; V100-L115 HydrophobicContact CG2-CB 4.09Å; V100-L115 HydrophobicContact CG2-CD1 4.09Å; V100-V118 HydrophobicContact CG2-CG2 4.02Å; V100-L135 HydrophobicContact CB-CD1 4.14Å; V100-L135 HydrophobicContact CB-CD2 4.26Å; V100-L135 HydrophobicContact CG1-CD1 3.81Å; V100-L135 HydrophobicContact CG1-CD2 3.92Å; V100-L135 HydrophobicContact CG1-CG 4.45Å
101A98.9Very high98.1Very high0 Ų010.8 Ų10.80%07%0.072CC..Hα-helixtrans-59.6-37.917600000112.3F67 T97 L98 T105 L135 F138F67-A101 HydrophobicContact CD1-CB 4.09Å; F67-A101 HydrophobicContact CD2-CB 3.86Å; F67-A101 HydrophobicContact CE1-CB 4.11Å; F67-A101 HydrophobicContact CE2-CB 3.87Å; F67-A101 HydrophobicContact CG-CB 3.97Å; F67-A101 HydrophobicContact CZ-CB 4Å; T97-A101 PolarHBondContact O-N 3.43Å; L98-A101 PolarHBondContact O-N 3.5Å; A101-T105 WeakPolarHBondContact O-CB 3.19Å; A101-T105 PolarHBondContact O-N 2.99Å; A101-T105 PolarHBondContact O-OG1 3.45Å; A101-L135 HydrophobicContact CB-CD2 4.09Å; A101-F138 HydrophobicContact CB-CE1 4.37Å
102Y98.9Very high98.1Very high0 Ų016.5 Ų16.50%010%0.099CC..Hα-helixtrans-62.3-52173.2177.3-97.4000112.2L12 I71 I74 H75 R78 L98 V99 V100 M104 T105 V106L12-Y102 HydrophobicContact CD2-CD1 3.59Å; L12-Y102 HydrophobicContact CD2-CE1 3.81Å; I71-Y102 HydrophobicContact CB-CD2 4.33Å; I71-Y102 HydrophobicContact CG1-CD2 4.3Å; I71-Y102 HydrophobicContact CG2-CD2 4.05Å; I71-Y102 HydrophobicContact CG2-CE2 4.47Å; I74-Y102 HydrophobicContact CB-CD2 3.89Å; I74-Y102 HydrophobicContact CB-CE2 3.98Å; I74-Y102 HydrophobicContact CB-CG 4.32Å; I74-Y102 HydrophobicContact CD1-CD2 4.35Å; I74-Y102 HydrophobicContact CD1-CG 4.17Å; I74-Y102 HydrophobicContact CG2-CD1 3.9Å; I74-Y102 HydrophobicContact CG2-CD2 3.77Å; I74-Y102 HydrophobicContact CG2-CE1 3.79Å; I74-Y102 HydrophobicContact CG2-CE2 3.65Å; I74-Y102 HydrophobicContact CG2-CG 3.9Å; H75-Y102 HydrophobicContact CB-CE2 3.96Å; H75-Y102 AromaticContact ND1-CE2 3.88Å; H75-Y102 AromaticContact ND1-CZ 3.96Å; H75-Y102 PolarHBondContact ND1-OH 2.67Å; H75-Y102 VanDerWaalsContact ND1-OH 3.14Å; R78-Y102 WeakPolarHBondContact CD-OH 3.47Å; R78-Y102 PolarHBondContact NH1-OH 3.01Å; L98-Y102 PolarHBondContact O-N 3.19Å; V99-Y102 WeakPolarHBondContact O-CB 3.47Å; V99-Y102 PolarHBondContact O-N 3.32Å; V100-Y102 VanDerWaalsContact C-N 3.26Å; V100-Y102 PolarHBondContact O-N 3.4Å; Y102-M104 VanDerWaalsContact C-N 3.32Å; Y102-M104 PolarHBondContact O-N 3.18Å; Y102-T105 WeakPolarHBondContact O-CA 3.37Å; Y102-T105 WeakPolarHBondContact O-CB 3.41Å; Y102-T105 PolarHBondContact O-N 2.91Å; Y102-V106 HydrophobicContact CD1-CG2 4.29Å; Y102-V106 HydrophobicContact CD2-CG1 4.34Å; Y102-V106 HydrophobicContact CE1-CG1 4.11Å; Y102-V106 HydrophobicContact CE1-CG2 3.85Å; Y102-V106 HydrophobicContact CE2-CG1 3.71Å; Y102-V106 PolarHBondContact O-N 2.97Å
103I98.6Very high98.1Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-57.7-45.4178.6-68.2166.4000110.9V8 L9 V99 V100 T105 V106 T107 L109 A114 V118 I165V8-I103 HydrophobicContact CG1-CD1 3.83Å; L9-I103 HydrophobicContact CD1-CG1 4.11Å; V99-I103 HydrophobicContact CG1-CD1 3.9Å; V99-I103 HydrophobicContact CG1-CG1 4.47Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 3.42Å; V100-I103 PolarHBondContact O-N 2.93Å; I103-T105 PolarHBondContact O-N 3.33Å; I103-V106 PolarHBondContact O-N 3.02Å; I103-T107 HydrophobicContact CG2-CG2 4.33Å; I103-T107 WeakPolarHBondContact O-CB 3.48Å; I103-T107 WeakPolarHBondContact O-CG2 3.45Å; I103-T107 PolarHBondContact O-N 3.45Å; I103-T107 PolarHBondContact O-OG1 3.08Å; I103-L109 HydrophobicContact CG2-CD1 4.44Å; I103-A114 HydrophobicContact CB-CB 4.1Å; I103-A114 HydrophobicContact CG2-CB 3.71Å; I103-V118 HydrophobicContact CD1-CG2 3.54Å; I103-I165 HydrophobicContact CD1-CD1 4.25Å; I103-I165 HydrophobicContact CG2-CD1 4.11Å; I103-I165 HydrophobicContact CG2-CG1 4.3Å
104M98.7Very high98Very high0 Ų018.8 Ų18.80%011%0.106CC..Hα-helixtrans-58.8-29.8176.1-68.3167.970.900112.9V100 Y102 W111 A114 L135 F138 E139 R147V100-M104 HydrophobicContact CG1-CG 4.33Å; V100-M104 HydrophobicContact CG1-SD 3.89Å; V100-M104 VanDerWaalsContact O-CG 3.24Å; V100-M104 WeakPolarHBondContact O-CG 3.48Å; V100-M104 PolarHBondContact O-N 3.17Å; Y102-M104 VanDerWaalsContact C-N 3.32Å; Y102-M104 PolarHBondContact O-N 3.18Å; M104-W111 HydrophobicContact CE-CB 3.82Å; M104-W111 VanDerWaalsContact SD-CA 3.56Å; M104-W111 HydrophobicContact SD-CB 3.54Å; M104-W111 VanDerWaalsContact SD-CB 3.54Å; M104-A114 HydrophobicContact CG-CB 3.88Å; M104-L135 HydrophobicContact SD-CD2 4.13Å; M104-F138 HydrophobicContact CB-CE1 4.3Å; M104-F138 HydrophobicContact CE-CD1 3.68Å; M104-F138 HydrophobicContact CE-CE1 4.24Å; M104-F138 HydrophobicContact SD-CD1 4.08Å; M104-F138 HydrophobicContact SD-CE1 4.46Å; M104-E139 HydrophobicContact CE-CB 3.56Å; M104-E139 HydrophobicContact CE-CG 4.1Å; M104-R147 PolarHBondContact O-NE 3.21Å; M104-R147 PolarHBondContact O-NH2 3.28Å
105T98.3Very high98Very high3 Ų318.5 Ų18.52%0.01811%0.105CC..Hα-helixtrans-83.6-33.6-178-56.30000112.5I71 A101 Y102 I103 F146 R147 L150I71-T105 HydrophobicContact CD1-CG2 4.37Å; I71-T105 WeakPolarHBondContact CD1-OG1 3.42Å; I71-T105 HydrophobicContact CG2-CG2 4.19Å; A101-T105 WeakPolarHBondContact O-CB 3.19Å; A101-T105 PolarHBondContact O-N 2.99Å; A101-T105 PolarHBondContact O-OG1 3.45Å; Y102-T105 WeakPolarHBondContact O-CA 3.37Å; Y102-T105 WeakPolarHBondContact O-CB 3.41Å; Y102-T105 PolarHBondContact O-N 2.91Å; I103-T105 PolarHBondContact O-N 3.33Å; T105-F146 HydrophobicContact CG2-CB 3.85Å; T105-R147 VanDerWaalsContact O-CG 3.24Å; T105-R147 WeakPolarHBondContact O-CG 3.24Å; T105-L150 HydrophobicContact CG2-CB 4.22Å; T105-L150 HydrophobicContact CG2-CD2 3.99Å
106V97.4Very high98Very high28 Ų2820.4 Ų20.417%0.1712%0.121CC..Hα-helixtrans-91.9-3.6179-590000113.6Y102 I103 L150 D161Y102-V106 HydrophobicContact CD1-CG2 4.29Å; Y102-V106 HydrophobicContact CD2-CG1 4.34Å; Y102-V106 HydrophobicContact CE1-CG1 4.11Å; Y102-V106 HydrophobicContact CE1-CG2 3.85Å; Y102-V106 HydrophobicContact CE2-CG1 3.71Å; Y102-V106 PolarHBondContact O-N 2.97Å; I103-V106 PolarHBondContact O-N 3.02Å; V106-L150 HydrophobicContact CG1-CD2 3.64Å; V106-D161 WeakPolarHBondContact CB-OD2 3.23Å; V106-D161 HydrophobicContact CG2-CB 4.02Å; V106-D161 VanDerWaalsContact CG2-OD2 3.3Å; V106-D161 WeakPolarHBondContact CG2-OD2 3.3Å
107T95.9Very high97.9Very high6 Ų620.4 Ų20.44%0.03712%0.121CC..SBendtrans-130.3172.8176.669.50000111I103 L109 R147 D161 E162I103-T107 HydrophobicContact CG2-CG2 4.33Å; I103-T107 WeakPolarHBondContact O-CB 3.48Å; I103-T107 WeakPolarHBondContact O-CG2 3.45Å; I103-T107 PolarHBondContact O-N 3.45Å; I103-T107 PolarHBondContact O-OG1 3.08Å; T107-L109 VanDerWaalsContact C-N 3.28Å; T107-L109 WeakPolarHBondContact OG1-CB 3.27Å; T107-L109 WeakPolarHBondContact OG1-CG 3.47Å; T107-L109 PolarHBondContact OG1-N 3.49Å; T107-R147 PolarHBondContact O-NE 2.83Å; T107-R147 PolarHBondContact O-NH2 3.2Å; T107-D161 HydrophobicContact CG2-CB 3.96Å; T107-E162 HydrophobicContact CG2-CG 4.08Å
108G92.1Very high97.8Very high49 Ų4920.4 Ų20.451%0.50512%0.121SC..SBendtrans-80.24.5167.100000115.6R147 E162G108-R147 PolarHBondContact O-NH2 3.43Å; G108-E162 PolarHBondContact N-OE1 2.74Å; G108-E162 VanDerWaalsContact N-OE1 3.15Å
109L96.9Very high97.8Very high45 Ų4525.6 Ų25.624%0.23614%0.14CC..  trans-75.9148.4-170.1-60.6177.6000113.7I103 T107 E113 R147 I165I103-L109 HydrophobicContact CG2-CD1 4.44Å; T107-L109 VanDerWaalsContact C-N 3.28Å; T107-L109 WeakPolarHBondContact OG1-CB 3.27Å; T107-L109 WeakPolarHBondContact OG1-CG 3.47Å; T107-L109 PolarHBondContact OG1-N 3.49Å; L109-E113 HydrophobicContact CB-CB 4.24Å; L109-E113 HydrophobicContact CD1-CB 4.5Å; L109-E113 HydrophobicContact CD2-CB 4.16Å; L109-R147 PolarHBondContact O-NH2 3.21Å; L109-R147 VanDerWaalsContact O-NH2 3.09Å; L109-I165 HydrophobicContact CD1-CB 4.3Å; L109-I165 HydrophobicContact CD1-CG2 3.56Å
110G98.2Very high97.6Very high11 Ų1127.7 Ų27.711%0.11315%0.153CC..  trans-74.3171.6165.800000112.3Q112 E113 A114 E139G110-Q112 VanDerWaalsContact C-N 3.28Å; G110-Q112 PolarHBondContact O-N 3.22Å; G110-E113 WeakPolarHBondContact CA-OE2 3.38Å; G110-A114 VanDerWaalsContact O-CB 3.27Å; G110-A114 WeakPolarHBondContact O-CB 3.23Å; G110-A114 PolarHBondContact O-N 3.06Å; G110-E139 VanDerWaalsContact CA-OE2 3.23Å; G110-E139 WeakPolarHBondContact CA-OE2 3.5Å
111W98.6Very high97.4Very high28 Ų2828.4 Ų28.411%0.10616%0.159CC..Hα-helixtrans-67.6-30.6-176.177-94.8000112.5V100 M104 L115 Q132 L135 E139V100-W111 HydrophobicContact CG1-CB 4.3Å; M104-W111 HydrophobicContact CE-CB 3.82Å; M104-W111 VanDerWaalsContact SD-CA 3.56Å; M104-W111 HydrophobicContact SD-CB 3.54Å; M104-W111 VanDerWaalsContact SD-CB 3.54Å; W111-L115 HydrophobicContact CE3-CD2 4.27Å; W111-L115 HydrophobicContact CZ3-CD2 3.86Å; W111-L115 WeakPolarHBondContact O-CB 3.35Å; W111-L115 PolarHBondContact O-N 2.81Å; W111-Q132 HydrophobicContact CH2-CB 4.15Å; W111-Q132 HydrophobicContact CH2-CG 4.29Å; W111-Q132 HydrophobicContact CZ3-CB 4.24Å; W111-Q132 HydrophobicContact CZ3-CG 4.07Å; W111-L135 HydrophobicContact CB-CB 3.79Å; W111-L135 HydrophobicContact CD2-CB 4.42Å; W111-L135 HydrophobicContact CG-CB 4.05Å; W111-E139 PolarHBondContact N-OE2 2.9Å
112Q98.4Very high97.3Very high120 Ų12028.4 Ų28.456%0.56116%0.159SC*.Hα-helixtrans-70.7-46.7-179.2-66.2-169.9-37.800111G110 L115 A116G110-Q112 VanDerWaalsContact C-N 3.28Å; G110-Q112 PolarHBondContact O-N 3.22Å; Q112-L115 PolarHBondContact O-N 3.48Å; Q112-A116 WeakPolarHBondContact O-CB 3.38Å; Q112-A116 PolarHBondContact O-N 3.49Å
113E97.7Very high97.1Very high93 Ų9333.8 Ų33.844%0.43519%0.194SC..Hα-helixtrans-65.4-44.1176.5-64.579.4-175.100111L109 G110 L115 A116 A117L109-E113 HydrophobicContact CB-CB 4.24Å; L109-E113 HydrophobicContact CD1-CB 4.5Å; L109-E113 HydrophobicContact CD2-CB 4.16Å; G110-E113 WeakPolarHBondContact CA-OE2 3.38Å; E113-L115 PolarHBondContact O-N 2.92Å; E113-A116 WeakPolarHBondContact O-CB 3.36Å; E113-A116 PolarHBondContact O-N 3.04Å; E113-A117 PolarHBondContact O-N 3.04Å
114A98.4Very high97Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-61.2-43.5175.600000111.7V100 I103 M104 G110 A117 V118V100-A114 HydrophobicContact CG1-CB 3.89Å; I103-A114 HydrophobicContact CB-CB 4.1Å; I103-A114 HydrophobicContact CG2-CB 3.71Å; M104-A114 HydrophobicContact CG-CB 3.88Å; G110-A114 VanDerWaalsContact O-CB 3.27Å; G110-A114 WeakPolarHBondContact O-CB 3.23Å; G110-A114 PolarHBondContact O-N 3.06Å; A114-A117 PolarHBondContact O-N 2.92Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.29Å
115L98.5Very high97Very high4 Ų436.1 Ų36.12%0.02121%0.21CC..Hα-helixtrans-65.6-38.1174.6178.260.4000112.2V96 V100 W111 Q112 E113 A117 V118 R119 A125 P127V96-L115 HydrophobicContact CG1-CD1 3.64Å; V100-L115 HydrophobicContact CG2-CB 4.09Å; V100-L115 HydrophobicContact CG2-CD1 4.09Å; W111-L115 HydrophobicContact CE3-CD2 4.27Å; W111-L115 HydrophobicContact CZ3-CD2 3.86Å; W111-L115 WeakPolarHBondContact O-CB 3.35Å; W111-L115 PolarHBondContact O-N 2.81Å; Q112-L115 PolarHBondContact O-N 3.48Å; E113-L115 PolarHBondContact O-N 2.92Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.09Å; L115-V118 PolarHBondContact O-N 3.31Å; L115-R119 HydrophobicContact CD1-CG 4.48Å; L115-R119 WeakPolarHBondContact O-CG 3.01Å; L115-R119 PolarHBondContact O-N 3.45Å; L115-A125 HydrophobicContact CD1-CB 4.45Å; L115-P127 HydrophobicContact CD1-CG 4.2Å
116A97.7Very high97Very high40 Ų4037.1 Ų37.133%0.33122%0.22SC..Hα-helixtrans-60.1-43.7175.400000110.9Q112 E113 R119 V120 L169Q112-A116 WeakPolarHBondContact O-CB 3.38Å; Q112-A116 PolarHBondContact O-N 3.49Å; E113-A116 WeakPolarHBondContact O-CB 3.36Å; E113-A116 PolarHBondContact O-N 3.04Å; A116-R119 WeakPolarHBondContact O-CB 3.36Å; A116-R119 PolarHBondContact O-N 3.24Å; A116-R119 VanDerWaalsContact O-N 3.17Å; A116-V120 PolarHBondContact O-N 3.14Å; A116-L169 HydrophobicContact CB-CD2 4.29Å
117A96.9Very high97Very high0 Ų035.9 Ų35.90%021%0.213CC..Hα-helixtrans-61.6-45.6175.200000112.1E113 A114 L115 R119 V120 A121 I165 L168 L169E113-A117 PolarHBondContact O-N 3.04Å; A114-A117 PolarHBondContact O-N 2.92Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.09Å; A117-R119 PolarHBondContact O-N 3.11Å; A117-V120 PolarHBondContact O-N 3.33Å; A117-V120 VanDerWaalsContact O-N 3.12Å; A117-A121 PolarHBondContact O-N 2.73Å; A117-I165 HydrophobicContact CB-CD1 3.75Å; A117-I165 HydrophobicContact CB-CG2 3.65Å; A117-L168 HydrophobicContact CB-CD2 4.4Å; A117-L168 VanDerWaalsContact O-CD2 3.31Å; A117-L168 WeakPolarHBondContact O-CD2 3.23Å; A117-L169 HydrophobicContact CB-CD2 4.11Å; A117-L169 HydrophobicContact CB-CG 4.22Å
118V98Very high97.2Very high0 Ų037 Ų370%022%0.219CC..Hα-helixtrans-58.9-37.6174.9176.50000111.5V8 L14 V96 V99 V100 I103 A114 L115 V120 A121 R122 A125V8-V118 HydrophobicContact CG1-CG2 4.05Å; L14-V118 HydrophobicContact CD2-CG1 3.84Å; V96-V118 HydrophobicContact CG1-CG1 4.15Å; V96-V118 HydrophobicContact CG2-CG1 4.44Å; V99-V118 HydrophobicContact CG1-CG2 3.9Å; V100-V118 HydrophobicContact CG2-CG2 4.02Å; I103-V118 HydrophobicContact CD1-CG2 3.54Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.29Å; L115-V118 PolarHBondContact O-N 3.31Å; V118-V120 VanDerWaalsContact C-N 3.33Å; V118-V120 PolarHBondContact O-N 2.79Å; V118-A121 PolarHBondContact O-N 3.38Å; V118-R122 PolarHBondContact O-N 2.7Å; V118-A125 HydrophobicContact CG1-CB 3.84Å
119R97.3Very high97.5Very high110 Ų11040.2 Ų40.242%0.41522%0.224SC..Hα-helixtrans-66.6-30.3177.7-79.4174.9171.6157.3-1.6113.6L115 A116 A117 A121 R122 P123 A125L115-R119 HydrophobicContact CD1-CG 4.48Å; L115-R119 WeakPolarHBondContact O-CG 3.01Å; L115-R119 PolarHBondContact O-N 3.45Å; A116-R119 WeakPolarHBondContact O-CB 3.36Å; A116-R119 PolarHBondContact O-N 3.24Å; A116-R119 VanDerWaalsContact O-N 3.17Å; A117-R119 PolarHBondContact O-N 3.11Å; R119-A121 VanDerWaalsContact C-N 3.33Å; R119-R122 CarbonylContact O-C 3.2Å; R119-R122 PolarHBondContact O-N 2.78Å; R119-P123 VanDerWaalsContact O-CA 3.24Å; R119-P123 WeakPolarHBondContact O-CA 3.43Å; R119-P123 VanDerWaalsContact O-N 3.11Å; R119-A125 HydrophobicContact CG-CB 3.95Å; R119-A125 PolarHBondContact NE-O 3.42Å
120V95.9Very high97.6Very high44 Ų4438.4 Ų38.427%0.26722%0.216SC..Hα-helixtrans-63.4-43.2173.2-178.10000110.6A116 A117 V118 L168 L169A116-V120 PolarHBondContact O-N 3.14Å; A117-V120 PolarHBondContact O-N 3.33Å; A117-V120 VanDerWaalsContact O-N 3.12Å; V118-V120 VanDerWaalsContact C-N 3.33Å; V118-V120 PolarHBondContact O-N 2.79Å; V120-L168 HydrophobicContact CB-CD1 4.19Å; V120-L168 HydrophobicContact CB-CG 4.05Å; V120-L168 HydrophobicContact CG1-CD1 3.85Å; V120-L168 HydrophobicContact CG1-CG 4.14Å; V120-L168 WeakPolarHBondContact CG1-O 3.44Å; V120-L169 HydrophobicContact CG2-CD2 4.17Å
121A94.4Very high97.6Very high15 Ų1537.9 Ų37.912%0.12421%0.211CC..Hα-helixtrans-72.5-37.5176.400000112.6N6 K7 V8 A117 V118 R119 L168N6-A121 WeakPolarHBondContact CB-O 3.17Å; N6-A121 VanDerWaalsContact CG-O 3.24Å; N6-A121 PolarHBondContact ND2-O 3.01Å; K7-A121 WeakPolarHBondContact O-CB 3.35Å; V8-A121 HydrophobicContact CG2-CB 4.15Å; A117-A121 PolarHBondContact O-N 2.73Å; V118-A121 PolarHBondContact O-N 3.38Å; R119-A121 VanDerWaalsContact C-N 3.33Å; A121-L168 HydrophobicContact CB-CD2 4.38Å
122R96.3Very high97.6Very high1 Ų138.9 Ų38.90%0.00422%0.216CC..  trans-138.992-177-171.2174.8-173.189.8-11.6110.9G4 N6 L14 A90 G91 V118 R119 C124 A125G4-R122 PolarHBondContact O-NH1 3.37Å; N6-R122 HydrophobicContact CB-CB 4.23Å; N6-R122 WeakPolarHBondContact OD1-CG 3.26Å; N6-R122 PolarHBondContact OD1-NH1 3.33Å; L14-R122 HydrophobicContact CD2-CB 4.22Å; L14-R122 HydrophobicContact CD2-CG 4.39Å; A90-R122 PolarHBondContact O-NH2 3.07Å; G91-R122 WeakPolarHBondContact O-CD 3.4Å; G91-R122 PolarHBondContact O-NE 3.06Å; V118-R122 PolarHBondContact O-N 2.7Å; R119-R122 CarbonylContact O-C 3.2Å; R119-R122 PolarHBondContact O-N 2.78Å; R122-C124 PolarHBondContact O-N 3.36Å; R122-A125 WeakPolarHBondContact O-CB 3.44Å; R122-A125 PolarHBondContact O-N 3.4Å
123P95.8Very high97.6Very high112 Ų11241 Ų4173%0.72722%0.219SC*.THydrogen-bonded Turntrans-57.7-27.3-173.7-30.536.8000115.6R119 A125R119-P123 VanDerWaalsContact O-CA 3.24Å; R119-P123 WeakPolarHBondContact O-CA 3.43Å; R119-P123 VanDerWaalsContact O-N 3.11Å; P123-A125 PolarHBondContact O-N 3.06Å
124C96.1Very high97.7Very high47 Ų4737.3 Ų37.332%0.31820%0.202SC..THydrogen-bonded Turntrans-77.21.1176.770.30000114.4G2 V92 R122 G126G2-C124 VanDerWaalsContact CA-SG 3.58Å; V92-C124 WeakPolarHBondContact CG1-O 3.44Å; V92-C124 HydrophobicContact CG2-CB 4.37Å; R122-C124 PolarHBondContact O-N 3.36Å; C124-G126 PolarHBondContact O-N 3.06Å
125A98.2Very high97.7Very high3 Ų337.3 Ų37.33%0.02520%0.202CC..  trans-64.5124.4178.700000111.7V96 L115 V118 R119 R122 P123V96-A125 HydrophobicContact CG1-CB 4.04Å; V96-A125 HydrophobicContact CG2-CB 3.72Å; L115-A125 HydrophobicContact CD1-CB 4.45Å; V118-A125 HydrophobicContact CG1-CB 3.84Å; R119-A125 HydrophobicContact CG-CB 3.95Å; R119-A125 PolarHBondContact NE-O 3.42Å; R122-A125 WeakPolarHBondContact O-CB 3.44Å; R122-A125 PolarHBondContact O-N 3.4Å; P123-A125 PolarHBondContact O-N 3.06Å
126G97.8Very high97.7Very high23 Ų2342.1 Ų42.124%0.23722%0.224CC..  trans-168.289.4-176.500000110.8V92 C124V92-G126 CarbonylContact O-C 3.6Å; V92-G126 PolarHBondContact O-N 3.44Å; C124-G126 PolarHBondContact O-N 3.06Å
127P98.6Very high97.8Very high3 Ų343.9 Ų43.92%0.01923%0.226CC..  trans-51.9142.2168.6-25.636.5000111V96 L115 F131 Q132 L135V96-P127 HydrophobicContact CB-CG 4.28Å; V96-P127 HydrophobicContact CG1-CG 3.68Å; L115-P127 HydrophobicContact CD1-CG 4.2Å; P127-F131 HydrophobicContact CB-CB 3.91Å; P127-Q132 HydrophobicContact CB-CG 4.03Å; P127-Q132 PolarHBondContact O-NE2 3.04Å; P127-L135 HydrophobicContact CG-CD1 4.4Å
128N98.8Very high97.8Very high30 Ų3044 Ų4416%0.1623%0.227CC..  trans-60.6162.2170.775.751.3000110.7D57 P59 S93 G130 F131 Q132D57-N128 PolarHBondContact OD1-ND2 3.24Å; P59-N128 WeakPolarHBondContact CA-OD1 3.07Å; S93-N128 PolarHBondContact OG-N 2.94Å; N128-G130 VanDerWaalsContact C-N 3.25Å; N128-G130 PolarHBondContact O-N 2.73Å; N128-G130 WeakPolarHBondContact OD1-CA 3.38Å; N128-G130 PolarHBondContact OD1-N 2.74Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.35Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.17Å; N128-F131 VanDerWaalsContact ND2-CZ 3.28Å; N128-F131 WeakPolarHBondContact ND2-CZ 3.46Å; N128-F131 PolarHBondContact O-N 3.25Å; N128-F131 PolarHBondContact OD1-N 2.81Å; N128-Q132 PolarHBondContact O-N 3.19Å
129L98.5Very high97.9Very high115 Ų11547.6 Ų47.660%0.60224%0.243SC*.Hα-helixtrans-59.8-32.4-174.2-66.8176.9000113.8Q132 R133L129-Q132 PolarHBondContact O-N 3.25Å; L129-R133 WeakPolarHBondContact O-CG 3.35Å; L129-R133 PolarHBondContact O-N 3.47Å; L129-R133 VanDerWaalsContact O-N 3.08Å
130G98.8Very high97.9Very high7 Ų747.3 Ų47.37%0.07225%0.254CS..Hα-helixtrans-67.8-39.5176.100000111.9N128 R133 Q134N128-G130 VanDerWaalsContact C-N 3.25Å; N128-G130 PolarHBondContact O-N 2.73Å; N128-G130 WeakPolarHBondContact OD1-CA 3.38Å; N128-G130 PolarHBondContact OD1-N 2.74Å; G130-R133 PolarHBondContact O-N 3.43Å; G130-Q134 WeakPolarHBondContact O-CG 3.49Å; G130-Q134 PolarHBondContact O-N 3.42Å
131F98.8Very high98Very high0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-71-34175.5-61.5-15.2000112.6D57 L58 Q61 L63 S93 R94 T97 P127 N128 Q134 L135D57-F131 WeakPolarHBondContact OD1-CE2 3.42Å; L58-F131 WeakPolarHBondContact O-CE1 3.35Å; Q61-F131 HydrophobicContact CB-CE1 4Å; Q61-F131 HydrophobicContact CB-CZ 4.21Å; Q61-F131 HydrophobicContact CG-CE1 4.46Å; Q61-F131 WeakPolarHBondContact O-CE1 3.45Å; L63-F131 HydrophobicContact CD1-CD1 3.87Å; L63-F131 HydrophobicContact CD1-CD2 3.8Å; L63-F131 HydrophobicContact CD1-CE1 3.67Å; L63-F131 HydrophobicContact CD1-CE2 3.58Å; L63-F131 HydrophobicContact CD1-CG 3.97Å; L63-F131 HydrophobicContact CD1-CZ 3.52Å; L63-F131 HydrophobicContact CD2-CZ 4.46Å; L63-F131 HydrophobicContact CG-CD1 4Å; L63-F131 HydrophobicContact CG-CE1 3.61Å; L63-F131 HydrophobicContact CG-CE2 4.4Å; L63-F131 HydrophobicContact CG-CZ 3.84Å; S93-F131 VanDerWaalsContact OG-CD2 3.23Å; S93-F131 WeakPolarHBondContact OG-CD2 3.4Å; S93-F131 WeakPolarHBondContact OG-CE2 3.37Å; R94-F131 HydrophobicContact CB-CE2 4.4Å; R94-F131 HydrophobicContact CG-CE2 3.66Å; R94-F131 HydrophobicContact CG-CZ 4.07Å; T97-F131 HydrophobicContact CG2-CB 3.97Å; T97-F131 HydrophobicContact CG2-CG 4.36Å; T97-F131 WeakPolarHBondContact OG1-CB 3.47Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.48Å; P127-F131 HydrophobicContact CB-CB 3.91Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.35Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.17Å; N128-F131 VanDerWaalsContact ND2-CZ 3.28Å; N128-F131 WeakPolarHBondContact ND2-CZ 3.46Å; N128-F131 PolarHBondContact O-N 3.25Å; N128-F131 PolarHBondContact OD1-N 2.81Å; F131-Q134 PolarHBondContact O-N 3.31Å; F131-L135 WeakPolarHBondContact O-CG 3.37Å; F131-L135 PolarHBondContact O-N 3.33Å
132Q98.9Very high98.1Very high49 Ų4951.7 Ų51.723%0.22927%0.272CS..Hα-helixtrans-61.8-44.4171.8-66-179.834.500111.2W111 P127 N128 L129 Q134 L135 Q136W111-Q132 HydrophobicContact CH2-CB 4.15Å; W111-Q132 HydrophobicContact CH2-CG 4.29Å; W111-Q132 HydrophobicContact CZ3-CB 4.24Å; W111-Q132 HydrophobicContact CZ3-CG 4.07Å; P127-Q132 HydrophobicContact CB-CG 4.03Å; P127-Q132 PolarHBondContact O-NE2 3.04Å; N128-Q132 PolarHBondContact O-N 3.19Å; L129-Q132 PolarHBondContact O-N 3.25Å; Q132-Q134 VanDerWaalsContact C-N 3.34Å; Q132-Q134 PolarHBondContact O-N 3.4Å; Q132-L135 PolarHBondContact O-N 3.24Å; Q132-Q136 PolarHBondContact O-N 3.35Å
133R98.8Very high98.1Very high164 Ų16451.7 Ų51.762%0.61927%0.272SS*.Hα-helixtrans-60.4-42.4173.8-70.1173.7-173.5176.70.9112L129 G130 L135 Q136 E137L129-R133 WeakPolarHBondContact O-CG 3.35Å; L129-R133 PolarHBondContact O-N 3.47Å; L129-R133 VanDerWaalsContact O-N 3.08Å; G130-R133 PolarHBondContact O-N 3.43Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-L135 PolarHBondContact O-N 3.45Å; R133-Q136 PolarHBondContact O-N 3.47Å; R133-E137 WeakPolarHBondContact O-CB 3.33Å; R133-E137 WeakPolarHBondContact O-CG 3.39Å; R133-E137 PolarHBondContact O-N 3.3Å
134Q98.8Very high98.2Very high17 Ų1751.6 Ų51.68%0.07927%0.265CS..Hα-helixtrans-63.4-36.2175.9-74.7176.150.500113.1Q61 R64 G130 F131 Q132 F138Q61-Q134 PolarHBondContact O-NE2 3.1Å; R64-Q134 HydrophobicContact CG-CB 3.82Å; R64-Q134 HydrophobicContact CG-CG 4.07Å; G130-Q134 WeakPolarHBondContact O-CG 3.49Å; G130-Q134 PolarHBondContact O-N 3.42Å; F131-Q134 PolarHBondContact O-N 3.31Å; Q132-Q134 VanDerWaalsContact C-N 3.34Å; Q132-Q134 PolarHBondContact O-N 3.4Å; Q134-F138 VanDerWaalsContact O-CB 3.3Å; Q134-F138 WeakPolarHBondContact O-CB 3.05Å; Q134-F138 PolarHBondContact O-N 3.17Å
135L98.9Very high98.3Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-70.1-39.9174.5-73.6168.7000112F67 T97 V100 A101 M104 W111 P127 F131 Q132 R133 F138 E139F67-L135 HydrophobicContact CE2-CD2 4.35Å; F67-L135 HydrophobicContact CZ-CD2 4.04Å; T97-L135 HydrophobicContact CG2-CD1 4.16Å; T97-L135 HydrophobicContact CG2-CD2 4.15Å; T97-L135 HydrophobicContact CG2-CG 4.04Å; V100-L135 HydrophobicContact CB-CD1 4.14Å; V100-L135 HydrophobicContact CB-CD2 4.26Å; V100-L135 HydrophobicContact CG1-CD1 3.81Å; V100-L135 HydrophobicContact CG1-CD2 3.92Å; V100-L135 HydrophobicContact CG1-CG 4.45Å; A101-L135 HydrophobicContact CB-CD2 4.09Å; M104-L135 HydrophobicContact SD-CD2 4.13Å; W111-L135 HydrophobicContact CB-CB 3.79Å; W111-L135 HydrophobicContact CD2-CB 4.42Å; W111-L135 HydrophobicContact CG-CB 4.05Å; P127-L135 HydrophobicContact CG-CD1 4.4Å; F131-L135 WeakPolarHBondContact O-CG 3.37Å; F131-L135 PolarHBondContact O-N 3.33Å; Q132-L135 PolarHBondContact O-N 3.24Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-L135 PolarHBondContact O-N 3.45Å; L135-F138 WeakPolarHBondContact O-CB 3.39Å; L135-F138 PolarHBondContact O-N 2.92Å; L135-E139 PolarHBondContact O-N 3.06Å
136Q98.8Very high98.3Very high104 Ų10456.5 Ų56.549%0.48628%0.282SS..Hα-helixtrans-61.5-47.2173-174.8179.820.200111.4Q132 R133 F138 E139 T140Q132-Q136 PolarHBondContact O-N 3.35Å; R133-Q136 PolarHBondContact O-N 3.47Å; Q136-F138 VanDerWaalsContact C-N 3.27Å; Q136-F138 PolarHBondContact O-N 3.3Å; Q136-E139 WeakPolarHBondContact O-CB 3.29Å; Q136-E139 PolarHBondContact O-N 3.23Å; Q136-T140 PolarHBondContact O-N 3.12Å; Q136-T140 PolarHBondContact O-OG1 3.17Å; Q136-T140 VanDerWaalsContact O-OG1 3.11Å
137E98.5Very high98.3Very high77 Ų7757.7 Ų57.736%0.3628%0.28SS..Hα-helixtrans-60.6-37.8174.4-74.9171.9-165.400112R64 R133 N141R64-E137 IonicContact CZ-OE2 3.14Å; R64-E137 IonicContact NE-OE2 3.87Å; R64-E137 PolarHBondContact NE-OE2 2.87Å; R64-E137 IonicContact NH1-OE2 2.68Å; R64-E137 IonicContact NH2-OE2 3.77Å; R64-E137 PolarHBondContact NH2-OE2 2.83Å; R133-E137 WeakPolarHBondContact O-CB 3.33Å; R133-E137 WeakPolarHBondContact O-CG 3.39Å; R133-E137 PolarHBondContact O-N 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.18Å; E137-N141 PolarHBondContact O-N 3.37Å; E137-N141 PolarHBondContact O-ND2 3.35Å
138F98.6Very high98.2Very high3 Ų363.4 Ų63.41%0.01331%0.306CS..Hα-helixtrans-65.2-45.2175.8177.8-110.2000111.5F67 A101 M104 Q134 L135 Q136 T140 H142 A143 F146F67-F138 HydrophobicContact CD2-CB 4.42Å; F67-F138 HydrophobicContact CD2-CD1 4.3Å; F67-F138 AromaticContact CD2-CD2 3.71Å; F67-F138 HydrophobicContact CD2-CD2 3.71Å; F67-F138 AromaticContact CD2-CE2 4Å; F67-F138 HydrophobicContact CD2-CE2 4Å; F67-F138 AromaticContact CD2-CG 3.89Å; F67-F138 HydrophobicContact CD2-CG 3.89Å; F67-F138 HydrophobicContact CD2-CZ 4.42Å; F67-F138 HydrophobicContact CE2-CB 3.88Å; F67-F138 HydrophobicContact CE2-CD1 4.19Å; F67-F138 HydrophobicContact CE2-CD2 4.04Å; F67-F138 AromaticContact CE2-CG 3.77Å; F67-F138 HydrophobicContact CE2-CG 3.77Å; A101-F138 HydrophobicContact CB-CE1 4.37Å; M104-F138 HydrophobicContact CB-CE1 4.3Å; M104-F138 HydrophobicContact CE-CD1 3.68Å; M104-F138 HydrophobicContact CE-CE1 4.24Å; M104-F138 HydrophobicContact SD-CD1 4.08Å; M104-F138 HydrophobicContact SD-CE1 4.46Å; Q134-F138 VanDerWaalsContact O-CB 3.3Å; Q134-F138 WeakPolarHBondContact O-CB 3.05Å; Q134-F138 PolarHBondContact O-N 3.17Å; L135-F138 WeakPolarHBondContact O-CB 3.39Å; L135-F138 PolarHBondContact O-N 2.92Å; Q136-F138 VanDerWaalsContact C-N 3.27Å; Q136-F138 PolarHBondContact O-N 3.3Å; F138-T140 PolarHBondContact O-N 3.06Å; F138-H142 HydrophobicContact CD2-CB 3.54Å; F138-H142 HydrophobicContact CE2-CB 3.8Å; F138-H142 HydrophobicContact CG-CB 4.49Å; F138-H142 CarbonylContact O-C 3.5Å; F138-H142 WeakPolarHBondContact O-CA 3.38Å; F138-H142 PolarHBondContact O-N 2.83Å; F138-A143 HydrophobicContact CD1-CB 4.37Å; F138-A143 HydrophobicContact CE1-CB 4.11Å; F138-A143 HydrophobicContact CZ-CB 4.44Å; F138-A143 PolarHBondContact O-N 3.47Å; F138-F146 HydrophobicContact CE2-CB 4.19Å; F138-F146 AromaticContact CE2-CD1 3.86Å; F138-F146 HydrophobicContact CE2-CD1 3.86Å; F138-F146 AromaticContact CE2-CD2 3.66Å; F138-F146 HydrophobicContact CE2-CD2 3.66Å; F138-F146 HydrophobicContact CE2-CE1 4.07Å; F138-F146 AromaticContact CE2-CE2 3.89Å; F138-F146 HydrophobicContact CE2-CE2 3.89Å; F138-F146 AromaticContact CE2-CG 3.63Å; F138-F146 HydrophobicContact CE2-CG 3.63Å; F138-F146 HydrophobicContact CE2-CZ 4.08Å; F138-F146 HydrophobicContact CZ-CB 3.88Å; F138-F146 AromaticContact CZ-CD1 3.87Å; F138-F146 HydrophobicContact CZ-CD1 3.87Å; F138-F146 HydrophobicContact CZ-CD2 4.22Å; F138-F146 HydrophobicContact CZ-CE1 4.43Å; F138-F146 AromaticContact CZ-CG 3.74Å; F138-F146 HydrophobicContact CZ-CG 3.74Å
139E98.6Very high98.1Very high76 Ų7664.5 Ų64.536%0.35531%0.308SS..Hα-helixtrans-55.4-50.9173.8-171.2179.9136.500111.6M104 G110 W111 L135 Q136M104-E139 HydrophobicContact CE-CB 3.56Å; M104-E139 HydrophobicContact CE-CG 4.1Å; G110-E139 VanDerWaalsContact CA-OE2 3.23Å; G110-E139 WeakPolarHBondContact CA-OE2 3.5Å; W111-E139 PolarHBondContact N-OE2 2.9Å; L135-E139 PolarHBondContact O-N 3.06Å; Q136-E139 WeakPolarHBondContact O-CB 3.29Å; Q136-E139 PolarHBondContact O-N 3.23Å
140T97.9Very high98.1Very high104 Ų10459.5 Ų59.564%0.63828%0.282SS*.Hα-helixtrans-68.8-36.9-174.5-54.70000113.1Q136 F138Q136-T140 PolarHBondContact O-N 3.12Å; Q136-T140 PolarHBondContact O-OG1 3.17Å; Q136-T140 VanDerWaalsContact O-OG1 3.11Å; F138-T140 PolarHBondContact O-N 3.06Å
141N97.3Very high97.9Very high88 Ų8864.8 Ų64.847%0.47130%0.3SS..Hα-helixtrans-116.3-18.7-164.7-56.3-64.9000114.9E137 Q145E137-N141 WeakPolarHBondContact O-CB 3.18Å; E137-N141 PolarHBondContact O-N 3.37Å; E137-N141 PolarHBondContact O-ND2 3.35Å; N141-Q145 PolarHBondContact O-NE2 2.96Å
142H97.3Very high97.7Very high63 Ų6369.2 Ų69.229%0.29232%0.32SS..THydrogen-bonded Turntrans-139.5-22.2-164.1-61.1-59.6000115.4F138 D144 Q145 F146F138-H142 HydrophobicContact CD2-CB 3.54Å; F138-H142 HydrophobicContact CE2-CB 3.8Å; F138-H142 HydrophobicContact CG-CB 4.49Å; F138-H142 CarbonylContact O-C 3.5Å; F138-H142 WeakPolarHBondContact O-CA 3.38Å; F138-H142 PolarHBondContact O-N 2.83Å; H142-D144 VanDerWaalsContact C-N 3.33Å; H142-D144 PolarHBondContact O-N 3.48Å; H142-Q145 WeakPolarHBondContact O-CB 3.45Å; H142-Q145 PolarHBondContact O-N 2.9Å; H142-Q145 VanDerWaalsContact O-N 3.15Å; H142-F146 HydrophobicContact CB-CD2 4.27Å; H142-F146 HydrophobicContact CB-CE2 4.35Å; H142-F146 WeakPolarHBondContact O-CD2 3.46Å; H142-F146 PolarHBondContact O-N 3.4Å
143A97.3Very high97.6Very high0 Ų070.9 Ų70.90%033%0.33CS..Hα-helixtrans-58.3-43-173.500000112.4F138 F146 R147F138-A143 HydrophobicContact CD1-CB 4.37Å; F138-A143 HydrophobicContact CE1-CB 4.11Å; F138-A143 HydrophobicContact CZ-CB 4.44Å; F138-A143 PolarHBondContact O-N 3.47Å; A143-F146 PolarHBondContact O-N 3.22Å; A143-R147 VanDerWaalsContact O-CG 3.32Å; A143-R147 WeakPolarHBondContact O-CG 3.37Å; A143-R147 PolarHBondContact O-N 3.06Å
144D97.8Very high97.5Very high110 Ų11065 Ų6559%0.58831%0.309SS*.Hα-helixtrans-64.1-42176.9-69.4-30.6000112.9H142 F146 R147 E148H142-D144 VanDerWaalsContact C-N 3.33Å; H142-D144 PolarHBondContact O-N 3.48Å; D144-F146 PolarHBondContact O-N 2.85Å; D144-R147 WeakPolarHBondContact O-CB 3.36Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 IonicContact OD1-CZ 3.64Å; D144-R147 IonicContact OD1-NH1 2.62Å; D144-R147 PolarHBondContact OD1-NH1 2.92Å; D144-E148 PolarHBondContact O-N 3.38Å
145Q97.9Very high96.9Very high118 Ų11871.8 Ų71.855%0.55134%0.338SS*.Hα-helixtrans-62.1-37.2175.5-64.1167.714.900110.9N141 H142 W149N141-Q145 PolarHBondContact O-NE2 2.96Å; H142-Q145 WeakPolarHBondContact O-CB 3.45Å; H142-Q145 PolarHBondContact O-N 2.9Å; H142-Q145 VanDerWaalsContact O-N 3.15Å; Q145-W149 WeakPolarHBondContact O-CB 3.3Å; Q145-W149 PolarHBondContact O-N 3.36Å
146F98.3Very high96Very high36 Ų3678 Ų7816%0.15837%0.367CS..Hα-helixtrans-71.6-38.9177-89.1-118.3000112.2F67 K68 I71 T105 F138 H142 A143 D144 W149 L150F67-F146 HydrophobicContact CB-CE1 4.1Å; K68-F146 HydrophobicContact CB-CE1 3.96Å; K68-F146 HydrophobicContact CB-CZ 4.19Å; K68-F146 HydrophobicContact CG-CE1 4.45Å; I71-F146 HydrophobicContact CD1-CD1 3.62Å; I71-F146 HydrophobicContact CD1-CE1 3.94Å; T105-F146 HydrophobicContact CG2-CB 3.85Å; F138-F146 HydrophobicContact CE2-CB 4.19Å; F138-F146 AromaticContact CE2-CD1 3.86Å; F138-F146 HydrophobicContact CE2-CD1 3.86Å; F138-F146 AromaticContact CE2-CD2 3.66Å; F138-F146 HydrophobicContact CE2-CD2 3.66Å; F138-F146 HydrophobicContact CE2-CE1 4.07Å; F138-F146 AromaticContact CE2-CE2 3.89Å; F138-F146 HydrophobicContact CE2-CE2 3.89Å; F138-F146 AromaticContact CE2-CG 3.63Å; F138-F146 HydrophobicContact CE2-CG 3.63Å; F138-F146 HydrophobicContact CE2-CZ 4.08Å; F138-F146 HydrophobicContact CZ-CB 3.88Å; F138-F146 AromaticContact CZ-CD1 3.87Å; F138-F146 HydrophobicContact CZ-CD1 3.87Å; F138-F146 HydrophobicContact CZ-CD2 4.22Å; F138-F146 HydrophobicContact CZ-CE1 4.43Å; F138-F146 AromaticContact CZ-CG 3.74Å; F138-F146 HydrophobicContact CZ-CG 3.74Å; H142-F146 HydrophobicContact CB-CD2 4.27Å; H142-F146 HydrophobicContact CB-CE2 4.35Å; H142-F146 WeakPolarHBondContact O-CD2 3.46Å; H142-F146 PolarHBondContact O-N 3.4Å; A143-F146 PolarHBondContact O-N 3.22Å; D144-F146 PolarHBondContact O-N 2.85Å; F146-W149 HydrophobicContact CD1-CE3 4.09Å; F146-W149 HydrophobicContact CD1-CZ3 4.03Å; F146-W149 HydrophobicContact CE1-CZ3 4.45Å; F146-W149 HydrophobicContact CG-CE3 4.37Å; F146-W149 PolarHBondContact O-N 3.02Å; F146-L150 VanDerWaalsContact O-CB 3.27Å; F146-L150 WeakPolarHBondContact O-CB 3.45Å; F146-L150 PolarHBondContact O-N 3.45Å
147R96.8Very high95Very high47 Ų4781.6 Ų81.618%0.17738%0.376CS..Hα-helixtrans-59.8-48.1173.6-72.7165-174.8147.51111.2M104 T105 T107 G108 L109 A143 D144 W151M104-R147 PolarHBondContact O-NE 3.21Å; M104-R147 PolarHBondContact O-NH2 3.28Å; T105-R147 VanDerWaalsContact O-CG 3.24Å; T105-R147 WeakPolarHBondContact O-CG 3.24Å; T107-R147 PolarHBondContact O-NE 2.83Å; T107-R147 PolarHBondContact O-NH2 3.2Å; G108-R147 PolarHBondContact O-NH2 3.43Å; L109-R147 PolarHBondContact O-NH2 3.21Å; L109-R147 VanDerWaalsContact O-NH2 3.09Å; A143-R147 VanDerWaalsContact O-CG 3.32Å; A143-R147 WeakPolarHBondContact O-CG 3.37Å; A143-R147 PolarHBondContact O-N 3.06Å; D144-R147 WeakPolarHBondContact O-CB 3.36Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 IonicContact OD1-CZ 3.64Å; D144-R147 IonicContact OD1-NH1 2.62Å; D144-R147 PolarHBondContact OD1-NH1 2.92Å; R147-W151 WeakPolarHBondContact O-CB 3.48Å; R147-W151 PolarHBondContact O-N 3.39Å; R147-W151 VanDerWaalsContact O-N 3.07Å
148E96.9Very high94.4Very high123 Ų12381.8 Ų81.858%0.57538%0.384SS*.Hα-helixtrans-65.3-48.6178.1-176.3173.6-164.500110.9D144 L150 W151 Q152D144-E148 PolarHBondContact O-N 3.38Å; E148-L150 VanDerWaalsContact C-N 3.32Å; E148-L150 PolarHBondContact O-N 2.77Å; E148-W151 PolarHBondContact O-N 3.25Å; E148-Q152 HydrophobicContact CG-CG 4.24Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.43Å; E148-Q152 PolarHBondContact O-N 3.25Å
149W97.6Very high94.1Very high54 Ų5483.9 Ų83.921%0.20539%0.393CS..Hα-helixtrans-56.2-45.8177.4159.865.5000112.2K68 I71 M72 Q145 F146 W151 Q152 L153K68-W149 HydrophobicContact CD-CH2 4.46Å; K68-W149 HydrophobicContact CD-CZ2 4.21Å; K68-W149 HydrophobicContact CG-CH2 3.52Å; K68-W149 HydrophobicContact CG-CZ2 3.7Å; K68-W149 HydrophobicContact CG-CZ3 4.02Å; I71-W149 HydrophobicContact CG2-CH2 4.47Å; I71-W149 HydrophobicContact CG2-CZ3 4.07Å; M72-W149 HydrophobicContact CG-CH2 3.44Å; M72-W149 VanDerWaalsContact CG-CH2 3.44Å; M72-W149 HydrophobicContact CG-CZ2 3.62Å; M72-W149 HydrophobicContact SD-CH2 4.11Å; M72-W149 HydrophobicContact SD-CZ2 3.71Å; Q145-W149 WeakPolarHBondContact O-CB 3.3Å; Q145-W149 PolarHBondContact O-N 3.36Å; F146-W149 HydrophobicContact CD1-CE3 4.09Å; F146-W149 HydrophobicContact CD1-CZ3 4.03Å; F146-W149 HydrophobicContact CE1-CZ3 4.45Å; F146-W149 HydrophobicContact CG-CE3 4.37Å; F146-W149 PolarHBondContact O-N 3.02Å; W149-W151 VanDerWaalsContact C-N 3.35Å; W149-Q152 PolarHBondContact O-N 3.03Å; W149-L153 HydrophobicContact CZ2-CD2 3.88Å; W149-L153 WeakPolarHBondContact O-CB 3.23Å; W149-L153 PolarHBondContact O-N 2.86Å
150L97Very high93.9Very high10 Ų1084.6 Ų84.65%0.05240%0.399CS..Hα-helixtrans-63.7-43.5180-165.776.2000111I71 H75 T105 V106 F146 E148 L153 Y154I71-L150 HydrophobicContact CG2-CD1 3.82Å; I71-L150 HydrophobicContact CG2-CD2 4.46Å; H75-L150 HydrophobicContact CB-CD1 4.44Å; T105-L150 HydrophobicContact CG2-CB 4.22Å; T105-L150 HydrophobicContact CG2-CD2 3.99Å; V106-L150 HydrophobicContact CG1-CD2 3.64Å; F146-L150 VanDerWaalsContact O-CB 3.27Å; F146-L150 WeakPolarHBondContact O-CB 3.45Å; F146-L150 PolarHBondContact O-N 3.45Å; E148-L150 VanDerWaalsContact C-N 3.32Å; E148-L150 PolarHBondContact O-N 2.77Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-Y154 HydrophobicContact CD1-CD2 3.84Å; L150-Y154 HydrophobicContact CD1-CE2 3.53Å; L150-Y154 HydrophobicContact CG-CD2 4.07Å; L150-Y154 HydrophobicContact CG-CE2 4.28Å; L150-Y154 WeakPolarHBondContact O-CD2 3.4Å; L150-Y154 PolarHBondContact O-N 3.11Å; L150-Y154 VanDerWaalsContact O-N 3.15Å
151W94.3Very high93.8Very high118 Ų11880 Ų8045%0.44737%0.371SS..Hα-helixtrans-62.4-43.5176179.675.5000112.2R147 E148 W149 L153 K155R147-W151 WeakPolarHBondContact O-CB 3.48Å; R147-W151 PolarHBondContact O-N 3.39Å; R147-W151 VanDerWaalsContact O-N 3.07Å; E148-W151 PolarHBondContact O-N 3.25Å; W149-W151 VanDerWaalsContact C-N 3.35Å; W151-L153 VanDerWaalsContact C-N 3.3Å; W151-L153 PolarHBondContact O-N 2.86Å; W151-K155 WeakPolarHBondContact O-CA 3.26Å; W151-K155 PolarHBondContact O-N 3.01Å
152Q96Very high93.6Very high93 Ų9379.6 Ų79.644%0.43537%0.366SS..Hα-helixtrans-63.8-36.8177.9-69.7-69.4-4.400112.3E148 W149E148-Q152 HydrophobicContact CG-CG 4.24Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.43Å; E148-Q152 PolarHBondContact O-N 3.25Å; W149-Q152 PolarHBondContact O-N 3.03Å
153L96.8Very high93.5Very high83 Ų8379.4 Ų79.444%0.43537%0.367SS..Hα-helixtrans-70.8-46.8-177-176.758.6000112.3M72 W149 L150 W151M72-L153 HydrophobicContact CE-CD2 4.08Å; M72-L153 HydrophobicContact SD-CD2 4.48Å; W149-L153 HydrophobicContact CZ2-CD2 3.88Å; W149-L153 WeakPolarHBondContact O-CB 3.23Å; W149-L153 PolarHBondContact O-N 2.86Å; L150-L153 PolarHBondContact O-N 2.94Å; W151-L153 VanDerWaalsContact C-N 3.3Å; W151-L153 PolarHBondContact O-N 2.86Å
154Y95.6Very high93.4Very high42 Ų4281.8 Ų81.817%0.16538%0.38CS..Hα-helixtrans-101.3-22.8-174-61.2-72.7000114.1H75 E76 L79 L150 E156H75-Y154 HydrophobicContact CB-CE2 4.47Å; H75-Y154 AromaticContact CD2-CD2 3.35Å; H75-Y154 WeakPolarHBondContact CD2-CD2 3.17Å; H75-Y154 AromaticContact CD2-CE2 3.49Å; H75-Y154 VanDerWaalsContact CD2-CE2 3.49Å; H75-Y154 WeakPolarHBondContact CD2-CE2 3.47Å; H75-Y154 AromaticContact CD2-CG 3.83Å; H75-Y154 AromaticContact NE2-CD2 3.8Å; E76-Y154 HydrophobicContact CG-CE1 3.85Å; E76-Y154 WeakPolarHBondContact CG-OH 3.24Å; E76-Y154 PolarHBondContact OE1-OH 2.94Å; E76-Y154 VanDerWaalsContact OE1-OH 3.08Å; L79-Y154 HydrophobicContact CD1-CD1 3.51Å; L79-Y154 HydrophobicContact CD1-CE1 3.98Å; L79-Y154 HydrophobicContact CD1-CG 3.9Å; L150-Y154 HydrophobicContact CD1-CD2 3.84Å; L150-Y154 HydrophobicContact CD1-CE2 3.53Å; L150-Y154 HydrophobicContact CG-CD2 4.07Å; L150-Y154 HydrophobicContact CG-CE2 4.28Å; L150-Y154 WeakPolarHBondContact O-CD2 3.4Å; L150-Y154 PolarHBondContact O-N 3.11Å; L150-Y154 VanDerWaalsContact O-N 3.15Å; Y154-E156 PolarHBondContact O-N 3.29Å
155K87.7Confident93.3Very high158 Ų15876.7 Ų76.769%0.68735%0.352SS*.  trans58.6-8.4179.9-57.5-179.3179.8177.80116.2W151W151-K155 WeakPolarHBondContact O-CA 3.26Å; W151-K155 PolarHBondContact O-N 3.01Å
156E79.4Confident93.1Very high132 Ų13278 Ų7862%0.61735%0.352SS*.  trans-110.7145.6178.2-62.6-178.2176.100110.3Y154Y154-E156 PolarHBondContact O-N 3.29Å
157R77Confident92.9Very high179 Ų17980.9 Ų80.968%0.67537%0.368SS*.  trans-127.873.1168.9-70-171.8177.1-172.31.7108.9F159R157-F159 PolarHBondContact O-N 2.92Å
158P85.8Confident92.6Very high80 Ų8079.6 Ų79.652%0.51937%0.365SS..  trans-75.5-11.7-176.930.9-33.8000112.8L79L79-P158 HydrophobicContact CD2-CG 3.48Å; L79-P158 VanDerWaalsContact CD2-CG 3.48Å
159F93.1Very high92.3Very high48 Ų4875.9 Ų75.921%0.21135%0.349CS..  trans-95.3141.7-177.4-44.2-54.7000111.8H75 R78 L79 R157 D161H75-F159 AromaticContact CE1-CD2 3.97Å; H75-F159 AromaticContact CE1-CE2 3.6Å; H75-F159 AromaticContact ND1-CE2 3.95Å; R78-F159 VanDerWaalsContact C-CZ 3.5Å; R78-F159 HydrophobicContact CB-CE1 4.02Å; R78-F159 HydrophobicContact CB-CE2 4.1Å; R78-F159 HydrophobicContact CB-CZ 3.53Å; L79-F159 HydrophobicContact CB-CZ 4.49Å; L79-F159 HydrophobicContact CD2-CE2 3.85Å; L79-F159 HydrophobicContact CD2-CZ 3.65Å; L79-F159 HydrophobicContact CG-CE2 4.2Å; L79-F159 HydrophobicContact CG-CZ 3.97Å; R157-F159 PolarHBondContact O-N 2.92Å; F159-D161 VanDerWaalsContact C-N 3.31Å; F159-D161 WeakPolarHBondContact CB-OD2 3.23Å; F159-D161 PolarHBondContact O-N 3.35Å
160N93.9Very high92Very high90 Ų9076.2 Ų76.248%0.48136%0.363SS..  trans-97.553171.2-162.83.1000111.1E162 D163 D164N160-E162 VanDerWaalsContact C-N 3.27Å; N160-E162 PolarHBondContact O-N 3.07Å; N160-D163 WeakPolarHBondContact ND2-CB 3.4Å; N160-D163 PolarHBondContact ND2-OD2 3.03Å; N160-D163 PolarHBondContact O-N 3.21Å; N160-D163 VanDerWaalsContact O-N 3.15Å; N160-D163 WeakPolarHBondContact OD1-CB 3.4Å; N160-D163 PolarHBondContact OD1-OD2 3.47Å; N160-D164 PolarHBondContact O-N 2.95Å
161D95.6Very high91.2Very high8 Ų882 Ų824%0.04339%0.388CS..Hα-helixtrans-60.6-33.8-168.5-74.2-35.4000112.6R78 V106 T107 F159 I165R78-D161 IonicContact CZ-OD1 3.24Å; R78-D161 VanDerWaalsContact CZ-OD1 3.29Å; R78-D161 IonicContact CZ-OD2 3.01Å; R78-D161 IonicContact NH1-OD1 2.68Å; R78-D161 PolarHBondContact NH1-OD1 3Å; R78-D161 IonicContact NH1-OD2 3.99Å; R78-D161 PolarHBondContact NH1-OD2 3.15Å; R78-D161 IonicContact NH2-OD1 3.29Å; R78-D161 PolarHBondContact NH2-OD1 3.15Å; R78-D161 IonicContact NH2-OD2 3.93Å; V106-D161 WeakPolarHBondContact CB-OD2 3.23Å; V106-D161 HydrophobicContact CG2-CB 4.02Å; V106-D161 VanDerWaalsContact CG2-OD2 3.3Å; V106-D161 WeakPolarHBondContact CG2-OD2 3.3Å; T107-D161 HydrophobicContact CG2-CB 3.96Å; F159-D161 VanDerWaalsContact C-N 3.31Å; F159-D161 WeakPolarHBondContact CB-OD2 3.23Å; F159-D161 PolarHBondContact O-N 3.35Å; D161-I165 VanDerWaalsContact O-CG1 3.22Å; D161-I165 WeakPolarHBondContact O-CG1 3.38Å; D161-I165 PolarHBondContact O-N 3.03Å
162E94.1Very high90.2Very high80 Ų8079.6 Ų79.637%0.37439%0.389SS..Hα-helixtrans-65.3-45.7176.1-72.5-162.9179.100112.8T107 G108 N160 I165 R166T107-E162 HydrophobicContact CG2-CG 4.08Å; G108-E162 PolarHBondContact N-OE1 2.74Å; G108-E162 VanDerWaalsContact N-OE1 3.15Å; N160-E162 VanDerWaalsContact C-N 3.27Å; N160-E162 PolarHBondContact O-N 3.07Å; E162-I165 PolarHBondContact O-N 3.12Å; E162-R166 WeakPolarHBondContact O-CG 3.39Å; E162-R166 PolarHBondContact O-N 3.1Å; E162-R166 IonicContact OE2-CZ 3.85Å; E162-R166 IonicContact OE2-NH2 2.79Å; E162-R166 PolarHBondContact OE2-NH2 2.98Å; E162-R166 VanDerWaalsContact OE2-NH2 3.14Å
163D94.9Very high88.5Confident59 Ų5983 Ų8332%0.31640%0.402SS..Hα-helixtrans-70.6-37.1179.5-72.5-22.1000111.5N160 I165 R166 I167N160-D163 WeakPolarHBondContact ND2-CB 3.4Å; N160-D163 PolarHBondContact ND2-OD2 3.03Å; N160-D163 PolarHBondContact O-N 3.21Å; N160-D163 VanDerWaalsContact O-N 3.15Å; N160-D163 WeakPolarHBondContact OD1-CB 3.4Å; N160-D163 PolarHBondContact OD1-OD2 3.47Å; D163-I165 VanDerWaalsContact C-N 3.3Å; D163-I165 PolarHBondContact O-N 2.91Å; D163-R166 PolarHBondContact O-N 3.2Å; D163-R166 IonicContact OD1-CZ 3.45Å; D163-R166 IonicContact OD1-NH1 3.83Å; D163-R166 PolarHBondContact OD1-NH1 3.31Å; D163-I167 WeakPolarHBondContact O-CB 3.36Å; D163-I167 VanDerWaalsContact O-CG1 3.28Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 2.84Å
164D95.9Very high86.1Confident50 Ų5087.3 Ų87.327%0.26742%0.418SS..Hα-helixtrans-59-42.4173.6-76.1-35.8000111.4L9 P10 N160 I167 L168L9-D164 HydrophobicContact CD2-CB 3.54Å; P10-D164 WeakPolarHBondContact CD-OD2 3.43Å; P10-D164 VanDerWaalsContact CG-OD2 3.29Å; P10-D164 WeakPolarHBondContact CG-OD2 3.42Å; N160-D164 PolarHBondContact O-N 2.95Å; D164-I167 PolarHBondContact O-N 2.85Å; D164-L168 WeakPolarHBondContact O-CB 3.17Å; D164-L168 PolarHBondContact O-N 2.63Å
165I94.9Very high83.7Confident2 Ų290.8 Ų90.81%0.0145%0.445CS..Hα-helixtrans-67.2-42.4174.8-66.8-66.8000111.4L9 I103 L109 A117 D161 E162 D163 I167 L168 L169L9-I165 HydrophobicContact CD1-CD1 4.44Å; L9-I165 HydrophobicContact CD2-CD1 3.84Å; L9-I165 HydrophobicContact CD2-CG1 4.02Å; L9-I165 HydrophobicContact CG-CD1 4.16Å; I103-I165 HydrophobicContact CD1-CD1 4.25Å; I103-I165 HydrophobicContact CG2-CD1 4.11Å; I103-I165 HydrophobicContact CG2-CG1 4.3Å; L109-I165 HydrophobicContact CD1-CB 4.3Å; L109-I165 HydrophobicContact CD1-CG2 3.56Å; A117-I165 HydrophobicContact CB-CD1 3.75Å; A117-I165 HydrophobicContact CB-CG2 3.65Å; D161-I165 VanDerWaalsContact O-CG1 3.22Å; D161-I165 WeakPolarHBondContact O-CG1 3.38Å; D161-I165 PolarHBondContact O-N 3.03Å; E162-I165 PolarHBondContact O-N 3.12Å; D163-I165 VanDerWaalsContact C-N 3.3Å; D163-I165 PolarHBondContact O-N 2.91Å; I165-I167 VanDerWaalsContact C-N 3.33Å; I165-I167 PolarHBondContact O-N 3.35Å; I165-L168 WeakPolarHBondContact O-CB 3.35Å; I165-L168 PolarHBondContact O-N 2.9Å; I165-L169 HydrophobicContact CG2-CD1 3.87Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.28Å; I165-L169 PolarHBondContact O-N 3.41Å
166R93.6Very high81.5Confident146 Ų14690.7 Ų90.755%0.55145%0.452SS*.Hα-helixtrans-58.9-45175.7-74.1175.2-172.5138.58.9111.5E162 D163 L168 L169 A170E162-R166 WeakPolarHBondContact O-CG 3.39Å; E162-R166 PolarHBondContact O-N 3.1Å; E162-R166 IonicContact OE2-CZ 3.85Å; E162-R166 IonicContact OE2-NH2 2.79Å; E162-R166 PolarHBondContact OE2-NH2 2.98Å; E162-R166 VanDerWaalsContact OE2-NH2 3.14Å; D163-R166 PolarHBondContact O-N 3.2Å; D163-R166 IonicContact OD1-CZ 3.45Å; D163-R166 IonicContact OD1-NH1 3.83Å; D163-R166 PolarHBondContact OD1-NH1 3.31Å; R166-L168 VanDerWaalsContact C-N 3.33Å; R166-L168 PolarHBondContact O-N 3.06Å; R166-L169 PolarHBondContact O-N 2.8Å; R166-A170 WeakPolarHBondContact O-CB 3.36Å; R166-A170 PolarHBondContact O-N 2.99Å
167I93Very high79.7Confident96 Ų9688.2 Ų88.249%0.49246%0.462SS..Hα-helixtrans-62.8-42.3176.2-69.9165.2000110.4D163 D164 I165 A170 K171D163-I167 WeakPolarHBondContact O-CB 3.36Å; D163-I167 VanDerWaalsContact O-CG1 3.28Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 2.84Å; D164-I167 PolarHBondContact O-N 2.85Å; I165-I167 VanDerWaalsContact C-N 3.33Å; I165-I167 PolarHBondContact O-N 3.35Å; I167-A170 PolarHBondContact O-N 2.89Å; I167-K171 WeakPolarHBondContact O-CG 3.46Å; I167-K171 PolarHBondContact O-N 3.31Å
168L91.5Very high77.9Confident20 Ų2085.6 Ų85.611%0.10547%0.466CS..Hα-helixtrans-61.2-49.5177.4-176.561.1000110.8V8 A117 V120 A121 D164 I165 R166 A170 K171V8-L168 WeakPolarHBondContact O-CD2 3.02Å; A117-L168 HydrophobicContact CB-CD2 4.4Å; A117-L168 VanDerWaalsContact O-CD2 3.31Å; A117-L168 WeakPolarHBondContact O-CD2 3.23Å; V120-L168 HydrophobicContact CB-CD1 4.19Å; V120-L168 HydrophobicContact CB-CG 4.05Å; V120-L168 HydrophobicContact CG1-CD1 3.85Å; V120-L168 HydrophobicContact CG1-CG 4.14Å; V120-L168 WeakPolarHBondContact CG1-O 3.44Å; A121-L168 HydrophobicContact CB-CD2 4.38Å; D164-L168 WeakPolarHBondContact O-CB 3.17Å; D164-L168 PolarHBondContact O-N 2.63Å; I165-L168 WeakPolarHBondContact O-CB 3.35Å; I165-L168 PolarHBondContact O-N 2.9Å; R166-L168 VanDerWaalsContact C-N 3.33Å; R166-L168 PolarHBondContact O-N 3.06Å; L168-A170 VanDerWaalsContact C-N 3.35Å; L168-A170 PolarHBondContact O-N 2.98Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 3.13Å
169L91.1Very high75.5Confident46 Ų4685.4 Ų85.424%0.24148%0.478CS..Hα-helixtrans-61.5-39.6177.2-71.3170.6000112.2A116 A117 V120 I165 R166 K171 S172 F173A116-L169 HydrophobicContact CB-CD2 4.29Å; A117-L169 HydrophobicContact CB-CD2 4.11Å; A117-L169 HydrophobicContact CB-CG 4.22Å; V120-L169 HydrophobicContact CG2-CD2 4.17Å; I165-L169 HydrophobicContact CG2-CD1 3.87Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.28Å; I165-L169 PolarHBondContact O-N 3.41Å; R166-L169 PolarHBondContact O-N 2.8Å; L169-K171 PolarHBondContact O-N 3.39Å; L169-S172 PolarHBondContact O-N 3.3Å; L169-S172 PolarHBondContact O-OG 3.45Å; L169-F173 WeakPolarHBondContact O-CD2 3.37Å
170A90.3Very high72.8Confident60 Ų6088.3 Ų88.350%0.49650%0.5SS..Hα-helixtrans-60.8-28177.500000113.2R166 I167 L168 S172 F173R166-A170 WeakPolarHBondContact O-CB 3.36Å; R166-A170 PolarHBondContact O-N 2.99Å; I167-A170 PolarHBondContact O-N 2.89Å; L168-A170 VanDerWaalsContact C-N 3.35Å; L168-A170 PolarHBondContact O-N 2.98Å; A170-S172 VanDerWaalsContact C-N 3.26Å; A170-S172 PolarHBondContact O-N 2.91Å; A170-F173 PolarHBondContact O-N 3.46Å
171K81.6Confident70.1Confident133 Ų13392.6 Ų92.658%0.57852%0.517SS*.Hα-helixtrans-66.7-24.9176.5-68.3169.6-176.3173.60112.9I167 L168 L169 F173I167-K171 WeakPolarHBondContact O-CG 3.46Å; I167-K171 PolarHBondContact O-N 3.31Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 3.13Å; L169-K171 PolarHBondContact O-N 3.39Å; K171-F173 PolarHBondContact O-N 3.08Å
172S72.4Confident67.4Low67 Ų6797.9 Ų97.947%0.46955%0.55SS..THydrogen-bonded Turntrans-74.3-15.5176.870.40000113.5L169 A170L169-S172 PolarHBondContact O-N 3.3Å; L169-S172 PolarHBondContact O-OG 3.45Å; A170-S172 VanDerWaalsContact C-N 3.26Å; A170-S172 PolarHBondContact O-N 2.91Å
173F59.4Low64.5Low164 Ų164101 Ų10172%0.71957%0.569SS**THydrogen-bonded Turntrans-99.56.5-176.7-68.3-78.5000114.4L169 A170 K171 P175L169-F173 WeakPolarHBondContact O-CD2 3.37Å; A170-F173 PolarHBondContact O-N 3.46Å; K171-F173 PolarHBondContact O-N 3.08Å; F173-P175 WeakPolarHBondContact O-CD 3.37Å
174K48.4Very low62Low173 Ų173104.7 Ų104.775%0.75259%0.593SS**  trans-76.9109168.3-72.1-168.9177.8-174.10108.9N176K174-N176 PolarHBondContact O-N 3.18Å
175P45Very low59.5Low115 Ų115110.5 Ų110.575%0.74762%0.618SS**  trans-61.9138.5166.727.1-31.8000107.9F173 G177F173-P175 WeakPolarHBondContact O-CD 3.37Å; P175-G177 PolarHBondContact O-N 3.34Å; P175-G177 VanDerWaalsContact O-N 3.07Å
176N40.3Very low56.9Low156 Ų156116.2 Ų116.283%0.83466%0.656SS**  trans-47120.6166.5-81.1-23000108.4K174 V178K174-N176 PolarHBondContact O-N 3.18Å; N176-V178 PolarHBondContact O-N 3.26Å
177G42.4Very low54.7Low80 Ų80114.8 Ų114.883%0.82567%0.668SS**  trans-59.6105.2174.700000109.7P175P175-G177 PolarHBondContact O-N 3.34Å; P175-G177 VanDerWaalsContact O-N 3.07Å
178V38.5Very low52.9Low124 Ų124116.2 Ų116.275%0.75268%0.682SS**  trans-93.590.5153.7-176.40000105.1N176 V180N176-V178 PolarHBondContact O-N 3.26Å; V178-V180 HydrophobicContact CG1-CG2 3.83Å; V178-V180 PolarHBondContact O-N 3.33Å
179G36.3Very low50.9Low76 Ų76120.6 Ų120.678%0.78471%0.711SS**  trans-70.6102159.900000107.1E181G179-E181 PolarHBondContact O-N 2.96Å
180V35.9Very low49.2Very low109 Ų109124.5 Ų124.566%0.66174%0.739SS**  trans-80.4100.9161.1-174.20000105.7V178 V182V178-V180 HydrophobicContact CG1-CG2 3.83Å; V178-V180 PolarHBondContact O-N 3.33Å; V180-V182 HydrophobicContact CB-CG2 4.46Å; V180-V182 HydrophobicContact CG1-CG2 3.75Å; V180-V182 PolarHBondContact O-N 3.49Å; V180-V182 VanDerWaalsContact O-N 3.1Å
181E36.1Very low47.1Very low180 Ų180125.1 Ų125.184%0.84175%0.751SS**  trans-64.4103156.8-77.9-174.1162.900106.9G179G179-E181 PolarHBondContact O-N 2.96Å
182V38.8Very low45.5Very low120 Ų120127.4 Ų127.473%0.72777%0.769SS**  trans-90.5103.3162.7-152.80000105.8V180 V184V180-V182 HydrophobicContact CB-CG2 4.46Å; V180-V182 HydrophobicContact CG1-CG2 3.75Å; V180-V182 PolarHBondContact O-N 3.49Å; V180-V182 VanDerWaalsContact O-N 3.1Å; V182-V184 PolarHBondContact O-N 3.2Å
183N34.3Very low44.4Very low145 Ų145133.6 Ų133.678%0.77579%0.791SS**  trans-52.5118168.3-86.7-35.3000109E185N183-E185 PolarHBondContact O-N 2.99Å
184V43.3Very low44.2Very low137 Ų137129 Ų12983%0.8379%0.79SS**  trans-82.5100.7166-176.70000106.4V182V182-V184 PolarHBondContact O-N 3.2Å
185E42.9Very low44.4Very low171 Ų171131.4 Ų131.480%0.79982%0.819SS**  trans-66.6137.2164-75.7-169.3164.100109.4N183 S187N183-E185 PolarHBondContact O-N 2.99Å; E185-S187 PolarHBondContact O-N 3.05Å
186P40.8Very low44.3Very low122 Ų122132.2 Ų132.279%0.79282%0.823SS**  trans-72.6115.5176.627-29.2000109.9T188P186-T188 PolarHBondContact O-N 2.98Å
187S46.4Very low44.5Very low117 Ų117130.9 Ų130.982%0.81882%0.822SS**  trans-71.7115.9169.7460000110.4E185E185-S187 PolarHBondContact O-N 3.05Å
188T54.3Low44.6Very low126 Ų126133.8 Ų133.877%0.77382%0.822SS**PPolyproline II helixtrans-61.5135.7171.4-40.40000110.6P186P186-T188 PolarHBondContact O-N 2.98Å
189P49.7Very low45Very low112 Ų112134.4 Ų134.473%0.72783%0.826SS**PPolyproline II helixtrans-75.4136.5177.427.9-30.8000111.2G191P189-G191 PolarHBondContact O-N 2.82Å
190P55.8Low45.6Very low127 Ų127138 Ų13883%0.82583%0.829SS**PPolyproline II helixtrans-74127.9168.724.3-23.3000110.1
191G46.5Very low46.2Very low73 Ų73139.9 Ų139.975%0.75384%0.84SS**PPolyproline II helixtrans-64.5150.5-175.600000114.3P189 Q193P189-G191 PolarHBondContact O-N 2.82Å; G191-Q193 PolarHBondContact O-N 3.38Å
192L48.9Very low46.9Very low181 Ų181137.1 Ų137.195%0.94884%0.84SS**PPolyproline II helixtrans-61.5121.3162.7-78.6111.3000109.9
193Q48.4Very low47.5Very low198 Ų198138.4 Ų138.493%0.92585%0.848SS**  trans-110.5113.1149.7-79.9-179-4.100107.3G191G191-Q193 PolarHBondContact O-N 3.38Å
194G55.6Low48.6Very low68 Ų68137.8 Ų137.870%0.70185%0.854SS**  trans-84.5149.8166.300000110.7
195T51.1Low49.1Very low222 Ų222137.9 Ų137.9100%1.36286%0.857SS**  -171.60120.342.20000107.4

Retrieved 195 of 195 residues in 746.1 ms (Link to these results)

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