A0A075BJ32_DROME Loading...

Cyclin A

AlphaFold DB , UniProt , Accession A0A075BJ32, Species DROME (Drosophila melanogaster, Fruit fly), Gene CycA, Length 207 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
1M84.5Confident92.2Very high125 Ų12546.3 Ų46.362%0.61623%0.227SC*.  0-50.60-68.8-169.1-65.300111.2I4 L5 R41 L44M1-I4 PolarHBondContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.12Å; M1-R41 HydrophobicContact SD-CB 3.94Å; M1-R41 VanDerWaalsContact SD-CD 3.5Å; M1-R41 HydrophobicContact SD-CG 3.53Å; M1-R41 VanDerWaalsContact SD-CG 3.53Å; M1-L44 HydrophobicContact CB-CD2 4.01Å
2R90.7Very high92.3Very high45 Ų4542.8 Ų42.817%0.1721%0.211CC..Hα-helixtrans-55.1-49.1172.2-179.7-177.2172-77.70.2112.8I4 L5 I6 V27 D31 L131 G134R2-I4 VanDerWaalsContact C-N 3.31Å; R2-I4 PolarHBondContact O-N 3.43Å; R2-L5 WeakPolarHBondContact O-CB 3.29Å; R2-L5 PolarHBondContact O-N 2.9Å; R2-I6 HydrophobicContact CG-CD1 3.8Å; R2-I6 HydrophobicContact CG-CG1 4.36Å; R2-I6 WeakPolarHBondContact O-CG1 3.46Å; R2-I6 PolarHBondContact O-N 3.39Å; R2-V27 VanDerWaalsContact NH2-CG1 3.34Å; R2-D31 WeakPolarHBondContact CD-OD1 3.36Å; R2-D31 IonicContact CZ-OD1 3.6Å; R2-D31 IonicContact CZ-OD2 2.68Å; R2-D31 IonicContact NE-OD1 2.91Å; R2-D31 PolarHBondContact NE-OD1 2.99Å; R2-D31 IonicContact NE-OD2 3.55Å; R2-D31 PolarHBondContact NE-OD2 3.09Å; R2-D31 IonicContact NH2-OD1 3.31Å; R2-D31 IonicContact NH2-OD2 2.69Å; R2-D31 PolarHBondContact NH2-OD2 2.85Å; R2-L131 PolarHBondContact NH1-O 2.89Å; R2-L131 PolarHBondContact NH2-O 3.07Å; R2-G134 VanDerWaalsContact NH1-N 3.18Å
3S90.4Very high92.5Very high44 Ų4439.6 Ų39.631%0.30820%0.195SC..Hα-helixtrans-54.7-43.5177.250.60000113.3I6 D7 M132S3-I6 PolarHBondContact O-N 2.72Å; S3-D7 WeakPolarHBondContact O-CB 3.34Å; S3-D7 PolarHBondContact O-N 3.14Å; S3-M132 VanDerWaalsContact O-CE 3.32Å; S3-M132 WeakPolarHBondContact O-CE 3.17Å
4I91.4Very high92.5Very high112 Ų11240.8 Ų40.857%0.57420%0.2SC*.Hα-helixtrans-63.2-41.7175.9-63.1161.8000111.1M1 R2 W8M1-I4 PolarHBondContact O-N 3.11Å; R2-I4 VanDerWaalsContact C-N 3.31Å; R2-I4 PolarHBondContact O-N 3.43Å; I4-W8 PolarHBondContact O-N 3.49Å; I4-W8 VanDerWaalsContact O-N 3.14Å
5L93.6Very high92.5Very high11 Ų1147.7 Ų47.76%0.05823%0.232CC..Hα-helixtrans-64.6-42.1176.8177.563.6000111.2M1 R2 W8 L9 L30 L44 Q45M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.12Å; R2-L5 WeakPolarHBondContact O-CB 3.29Å; R2-L5 PolarHBondContact O-N 2.9Å; L5-W8 HydrophobicContact CD1-CE3 3.77Å; L5-W8 HydrophobicContact CD1-CZ3 4.2Å; L5-W8 PolarHBondContact O-N 3.34Å; L5-L9 HydrophobicContact CD1-CG 4.48Å; L5-L9 HydrophobicContact CG-CD1 4.3Å; L5-L9 HydrophobicContact CG-CG 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.41Å; L5-L9 PolarHBondContact O-N 2.93Å; L5-L30 HydrophobicContact CD2-CD1 3.97Å; L5-L30 HydrophobicContact CD2-CD2 3.61Å; L5-L30 HydrophobicContact CD2-CG 4.46Å; L5-L30 HydrophobicContact CG-CD2 4.43Å; L5-L44 HydrophobicContact CD2-CD1 4.13Å; L5-L44 HydrophobicContact CD2-CG 3.85Å; L5-Q45 HydrophobicContact CD1-CB 4.49Å; L5-Q45 HydrophobicContact CD1-CG 4.48Å
6I94.3Very high92.4Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-68.4-40.6-179.7-64.9176.2000110.8R2 S3 W8 L9 V10 V27 L131 M132R2-I6 HydrophobicContact CG-CD1 3.8Å; R2-I6 HydrophobicContact CG-CG1 4.36Å; R2-I6 WeakPolarHBondContact O-CG1 3.46Å; R2-I6 PolarHBondContact O-N 3.39Å; S3-I6 PolarHBondContact O-N 2.72Å; I6-W8 VanDerWaalsContact C-N 3.27Å; I6-W8 PolarHBondContact O-N 3.4Å; I6-L9 WeakPolarHBondContact O-CB 3.45Å; I6-L9 PolarHBondContact O-N 2.91Å; I6-L9 VanDerWaalsContact O-N 3.08Å; I6-V10 VanDerWaalsContact O-CG2 3.29Å; I6-V10 WeakPolarHBondContact O-CG2 3.34Å; I6-V10 PolarHBondContact O-N 3.04Å; I6-V27 HydrophobicContact CD1-CG1 3.81Å; I6-V27 HydrophobicContact CD1-CG2 4.18Å; I6-V27 HydrophobicContact CG1-CG2 4.14Å; I6-V27 HydrophobicContact CG2-CG2 4.11Å; I6-L131 WeakPolarHBondContact CD1-O 3.39Å; I6-L131 HydrophobicContact CG2-CB 4.37Å; I6-M132 HydrophobicContact CB-SD 3.98Å; I6-M132 HydrophobicContact CG2-SD 3.55Å; I6-M132 VanDerWaalsContact CG2-SD 3.55Å
7D92.7Very high92.4Very high21 Ų2156.3 Ų56.311%0.11227%0.265CS..Hα-helixtrans-53.7-47.4172.4-156.649.2000111.1S3 L9 V10 E11 M132 T196 A198S3-D7 WeakPolarHBondContact O-CB 3.34Å; S3-D7 PolarHBondContact O-N 3.14Å; D7-L9 PolarHBondContact O-N 3.38Å; D7-V10 WeakPolarHBondContact O-CB 3.38Å; D7-V10 PolarHBondContact O-N 3.13Å; D7-E11 PolarHBondContact O-N 3.45Å; D7-M132 HydrophobicContact CB-CE 3.77Å; D7-T196 HydrophobicContact CB-CG2 3.82Å; D7-T196 VanDerWaalsContact CG-CB 3.43Å; D7-T196 VanDerWaalsContact OD1-CB 3.31Å; D7-T196 WeakPolarHBondContact OD1-CB 3.48Å; D7-T196 WeakPolarHBondContact OD2-CA 3.49Å; D7-T196 WeakPolarHBondContact OD2-CB 3.32Å; D7-A198 WeakPolarHBondContact OD1-CB 3.25Å; D7-A198 PolarHBondContact OD1-N 3.28Å
8W94.3Very high92.6Very high46 Ų4654.1 Ų54.117%0.17426%0.255CS..Hα-helixtrans-64.8-38.6175.9175.974.2000113I4 L5 I6 V10 E11 V12 Q45 T49 L72 T73I4-W8 PolarHBondContact O-N 3.49Å; I4-W8 VanDerWaalsContact O-N 3.14Å; L5-W8 HydrophobicContact CD1-CE3 3.77Å; L5-W8 HydrophobicContact CD1-CZ3 4.2Å; L5-W8 PolarHBondContact O-N 3.34Å; I6-W8 VanDerWaalsContact C-N 3.27Å; I6-W8 PolarHBondContact O-N 3.4Å; W8-V10 PolarHBondContact O-N 3.33Å; W8-E11 WeakPolarHBondContact O-CB 3.4Å; W8-E11 PolarHBondContact O-N 3.23Å; W8-V12 HydrophobicContact CD2-CG2 4.1Å; W8-V12 HydrophobicContact CE3-CG2 4.38Å; W8-V12 HydrophobicContact CH2-CG2 4.01Å; W8-V12 HydrophobicContact CZ2-CG2 3.68Å; W8-V12 HydrophobicContact CZ3-CG2 4.35Å; W8-V12 WeakPolarHBondContact O-CG2 3.36Å; W8-V12 PolarHBondContact O-N 3.18Å; W8-Q45 HydrophobicContact CE3-CG 4.48Å; W8-Q45 HydrophobicContact CH2-CG 4.19Å; W8-Q45 HydrophobicContact CZ3-CG 4.13Å; W8-T49 WeakPolarHBondContact CH2-OG1 3.4Å; W8-L72 HydrophobicContact CZ2-CB 4.16Å; W8-T73 HydrophobicContact CH2-CG2 4.13Å; W8-T73 HydrophobicContact CZ2-CG2 4.3Å
9L95.8Very high92.8Very high0 Ų054.5 Ų54.50%026%0.259CS..Hα-helixtrans-63.3-31.9174.8-72.2176.5000111.9L5 I6 D7 V12 S13 L23 M52L5-L9 HydrophobicContact CD1-CG 4.48Å; L5-L9 HydrophobicContact CG-CD1 4.3Å; L5-L9 HydrophobicContact CG-CG 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.41Å; L5-L9 PolarHBondContact O-N 2.93Å; I6-L9 WeakPolarHBondContact O-CB 3.45Å; I6-L9 PolarHBondContact O-N 2.91Å; I6-L9 VanDerWaalsContact O-N 3.08Å; D7-L9 PolarHBondContact O-N 3.38Å; L9-V12 PolarHBondContact O-N 3.27Å; L9-S13 PolarHBondContact O-N 2.8Å; L9-S13 PolarHBondContact O-OG 3.12Å; L9-L23 HydrophobicContact CB-CD1 4.06Å; L9-M52 HydrophobicContact CB-CE 3.69Å; L9-M52 HydrophobicContact CD2-CB 4.08Å; L9-M52 HydrophobicContact CD2-CE 3.72Å; L9-M52 HydrophobicContact CD2-SD 3.79Å; L9-M52 HydrophobicContact CG-CE 4.17Å; L9-M52 WeakPolarHBondContact O-CE 3.16Å
10V94.4Very high92.9Very high0 Ų053.1 Ų53.10%025%0.254CS..Hα-helixtrans-64.7-47.7173.41770000110.3I6 D7 W8 V12 S13 E14 L23 A198 M199 K202I6-V10 VanDerWaalsContact O-CG2 3.29Å; I6-V10 WeakPolarHBondContact O-CG2 3.34Å; I6-V10 PolarHBondContact O-N 3.04Å; D7-V10 WeakPolarHBondContact O-CB 3.38Å; D7-V10 PolarHBondContact O-N 3.13Å; W8-V10 PolarHBondContact O-N 3.33Å; V10-V12 VanDerWaalsContact C-N 3.29Å; V10-V12 PolarHBondContact O-N 3.21Å; V10-S13 WeakPolarHBondContact CA-OG 3.3Å; V10-S13 PolarHBondContact O-N 3.15Å; V10-S13 VanDerWaalsContact O-N 3.13Å; V10-S13 PolarHBondContact O-OG 2.94Å; V10-E14 WeakPolarHBondContact O-CG 3.47Å; V10-E14 PolarHBondContact O-N 3.11Å; V10-L23 HydrophobicContact CG2-CD1 4.33Å; V10-L23 HydrophobicContact CG2-CD2 3.92Å; V10-A198 HydrophobicContact CB-CB 4.14Å; V10-A198 HydrophobicContact CG1-CB 4.01Å; V10-M199 HydrophobicContact CB-SD 4.23Å; V10-M199 HydrophobicContact CG1-CG 4.35Å; V10-M199 HydrophobicContact CG1-SD 3.79Å; V10-M199 HydrophobicContact CG2-CE 3.18Å; V10-M199 HydrophobicContact CG2-CG 3.9Å; V10-M199 HydrophobicContact CG2-SD 3.36Å; V10-M199 WeakPolarHBondContact CG2-SD 3.42Å; V10-K202 HydrophobicContact CG1-CD 4.31Å
11E92.8Very high93Very high105 Ų10551 Ų5149%0.49124%0.244SC..Hα-helixtrans-56.7-44.4175.8-63.2174.6175.100111.4D7 W8 E14 E15 A198D7-E11 PolarHBondContact O-N 3.45Å; W8-E11 WeakPolarHBondContact O-CB 3.4Å; W8-E11 PolarHBondContact O-N 3.23Å; E11-E14 PolarHBondContact O-N 3.02Å; E11-E15 WeakPolarHBondContact O-CB 3.45Å; E11-E15 PolarHBondContact O-N 2.93Å; E11-A198 HydrophobicContact CG-CB 3.66Å
12V93.4Very high93.6Very high4 Ų445 Ų452%0.02422%0.215CC..Hα-helixtrans-61.5-44.5175.8169.80000111.6W8 L9 V10 E14 E15 Y16 M52 F69 L72W8-V12 HydrophobicContact CD2-CG2 4.1Å; W8-V12 HydrophobicContact CE3-CG2 4.38Å; W8-V12 HydrophobicContact CH2-CG2 4.01Å; W8-V12 HydrophobicContact CZ2-CG2 3.68Å; W8-V12 HydrophobicContact CZ3-CG2 4.35Å; W8-V12 WeakPolarHBondContact O-CG2 3.36Å; W8-V12 PolarHBondContact O-N 3.18Å; L9-V12 PolarHBondContact O-N 3.27Å; V10-V12 VanDerWaalsContact C-N 3.29Å; V10-V12 PolarHBondContact O-N 3.21Å; V12-E14 VanDerWaalsContact C-N 3.26Å; V12-E14 PolarHBondContact O-N 3.37Å; V12-E15 PolarHBondContact O-N 2.95Å; V12-Y16 HydrophobicContact CG1-CD2 4.26Å; V12-Y16 WeakPolarHBondContact O-CD2 3.25Å; V12-Y16 PolarHBondContact O-N 3.05Å; V12-Y16 VanDerWaalsContact O-N 3.16Å; V12-M52 HydrophobicContact CB-SD 4.03Å; V12-M52 HydrophobicContact CG1-SD 3.46Å; V12-M52 WeakPolarHBondContact CG1-SD 3.17Å; V12-F69 HydrophobicContact CG1-CE1 4.48Å; V12-L72 HydrophobicContact CB-CD1 4.45Å; V12-L72 HydrophobicContact CG1-CD1 3.64Å; V12-L72 HydrophobicContact CG2-CD1 4.06Å; V12-L72 HydrophobicContact CG2-CD2 4.45Å
13S94.8Very high93.9Very high2 Ų242.9 Ų42.91%0.01421%0.207CC..Hα-helixtrans-61.8-37.2178.967.50000112.1L9 V10 K17 L18L9-S13 PolarHBondContact O-N 2.8Å; L9-S13 PolarHBondContact O-OG 3.12Å; V10-S13 WeakPolarHBondContact CA-OG 3.3Å; V10-S13 PolarHBondContact O-N 3.15Å; V10-S13 VanDerWaalsContact O-N 3.13Å; V10-S13 PolarHBondContact O-OG 2.94Å; S13-K17 CarbonylContact O-C 3.58Å; S13-K17 WeakPolarHBondContact O-CA 3.49Å; S13-K17 PolarHBondContact O-N 3.25Å; S13-L18 PolarHBondContact O-N 2.9Å
14E92.7Very high94.2Very high56 Ų5641.3 Ų41.326%0.26219%0.194SC..Hα-helixtrans-72.1-40.3177.6-69-68.5114.100112.3V10 E11 V12 Y16 K17 K202 R205V10-E14 WeakPolarHBondContact O-CG 3.47Å; V10-E14 PolarHBondContact O-N 3.11Å; E11-E14 PolarHBondContact O-N 3.02Å; V12-E14 VanDerWaalsContact C-N 3.26Å; V12-E14 PolarHBondContact O-N 3.37Å; E14-Y16 PolarHBondContact O-N 2.85Å; E14-K17 PolarHBondContact O-N 3.05Å; E14-K202 HydrophobicContact CG-CB 4.41Å; E14-K202 HydrophobicContact CG-CD 4.26Å; E14-K202 HydrophobicContact CG-CG 4.31Å; E14-K202 VanDerWaalsContact OE1-CD 3.26Å; E14-K202 WeakPolarHBondContact OE1-CD 3.45Å; E14-K202 WeakPolarHBondContact OE1-CE 3.1Å; E14-K202 WeakPolarHBondContact OE1-CG 3.36Å; E14-K202 IonicContact OE1-NZ 3.42Å; E14-R205 IonicContact OE2-NH1 3.38Å
15E91.6Very high94.5Very high145 Ų14536 Ų3668%0.67817%0.167SC*.Hα-helixtrans-61.7-43.3179.5-174.362.9-157.800111.6E11 V12E11-E15 WeakPolarHBondContact O-CB 3.45Å; E11-E15 PolarHBondContact O-N 2.93Å; V12-E15 PolarHBondContact O-N 2.95Å
16Y91.3Very high94.6Very high56 Ų5635.5 Ų35.522%0.2216%0.164CC..THydrogen-bonded Turntrans-91.81.2178.7-70.8-86.1000114V12 E14 L18 P64 E68 L72V12-Y16 HydrophobicContact CG1-CD2 4.26Å; V12-Y16 WeakPolarHBondContact O-CD2 3.25Å; V12-Y16 PolarHBondContact O-N 3.05Å; V12-Y16 VanDerWaalsContact O-N 3.16Å; E14-Y16 PolarHBondContact O-N 2.85Å; Y16-L18 PolarHBondContact O-N 3.09Å; Y16-P64 HydrophobicContact CD1-CB 4.07Å; Y16-P64 HydrophobicContact CD1-CG 3.91Å; Y16-P64 HydrophobicContact CE1-CB 4.41Å; Y16-P64 HydrophobicContact CG-CG 4.16Å; Y16-E68 HydrophobicContact CE1-CB 3.78Å; Y16-E68 HydrophobicContact CE1-CG 4.17Å; Y16-L72 HydrophobicContact CD2-CD1 3.9Å; Y16-L72 HydrophobicContact CE2-CD1 3.16Å; Y16-L72 HydrophobicContact CE2-CD2 3.6Å; Y16-L72 HydrophobicContact CE2-CG 3.67Å
17K92.9Very high94.7Very high185 Ų18535.7 Ų35.780%0.80417%0.165SC*.THydrogen-bonded Turntrans5242.7-177.4-53.6179.1-178.1179.50112.3S13 E14S13-K17 CarbonylContact O-C 3.58Å; S13-K17 WeakPolarHBondContact O-CA 3.49Å; S13-K17 PolarHBondContact O-N 3.25Å; E14-K17 PolarHBondContact O-N 3.05Å
18L95.5Very high94.9Very high16 Ų1637.4 Ų37.48%0.08417%0.172CC..  trans-67.8152.5176.4-55.2-177.5000109.9S13 Y16 T22 M52 E60 P64S13-L18 PolarHBondContact O-N 2.9Å; Y16-L18 PolarHBondContact O-N 3.09Å; L18-T22 HydrophobicContact CB-CG2 4.21Å; L18-T22 HydrophobicContact CD1-CG2 4.02Å; L18-M52 HydrophobicContact CD1-CG 4.21Å; L18-M52 HydrophobicContact CD1-SD 4.11Å; L18-E60 WeakPolarHBondContact CA-OE1 3.44Å; L18-E60 WeakPolarHBondContact CB-OE1 3.46Å; L18-E60 HydrophobicContact CD2-CG 4.12Å; L18-P64 HydrophobicContact CD2-CG 3.86Å
19D95.4Very high95Very high62 Ų6235.2 Ų35.233%0.33216%0.164SC..  trans-61149172.4-161.2-77000110.1E21 T22 L23 E60 Y103D19-E21 PolarHBondContact O-N 2.98Å; D19-E21 WeakPolarHBondContact OD1-CB 3.45Å; D19-E21 PolarHBondContact OD1-N 3.43Å; D19-T22 VanDerWaalsContact O-CB 3.25Å; D19-T22 WeakPolarHBondContact O-CB 3.49Å; D19-T22 PolarHBondContact O-N 2.93Å; D19-T22 VanDerWaalsContact O-N 3.08Å; D19-L23 PolarHBondContact O-N 3.2Å; D19-E60 PolarHBondContact N-OE1 2.91Å; D19-Y103 WeakPolarHBondContact OD1-CE1 3.31Å; D19-Y103 PolarHBondContact OD1-OH 3.1Å
20T94.8Very high95.1Very high26 Ų2635.2 Ų35.216%0.1616%0.164CC..Hα-helixtrans-61.8-33174.9-65.40000110.7T22 L23 Y24 Y103 E128 K202T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 3.48Å; T20-L23 WeakPolarHBondContact O-CB 3.21Å; T20-L23 PolarHBondContact O-N 2.86Å; T20-L23 VanDerWaalsContact O-N 3.11Å; T20-Y24 HydrophobicContact CG2-CD2 3.81Å; T20-Y24 HydrophobicContact CG2-CE2 3.64Å; T20-Y24 WeakPolarHBondContact O-CD2 3.26Å; T20-Y24 PolarHBondContact O-N 2.88Å; T20-Y24 VanDerWaalsContact O-N 3.08Å; T20-Y103 HydrophobicContact CG2-CD2 3.59Å; T20-Y103 HydrophobicContact CG2-CE2 3.8Å; T20-Y103 HydrophobicContact CG2-CG 4.34Å; T20-E128 VanDerWaalsContact CG2-OE1 3.27Å; T20-E128 WeakPolarHBondContact CG2-OE1 3.38Å; T20-K202 PolarHBondContact OG1-NZ 3.3Å
21E96Very high95.1Very high10 Ų1035.9 Ų35.95%0.04717%0.167CC..Hα-helixtrans-58.3-40.8173.3-175.762.2-178.700112.1D19 L23 Y24 L25 E59 T101 Y103 V104D19-E21 PolarHBondContact O-N 2.98Å; D19-E21 WeakPolarHBondContact OD1-CB 3.45Å; D19-E21 PolarHBondContact OD1-N 3.43Å; E21-L23 VanDerWaalsContact C-N 3.27Å; E21-L23 PolarHBondContact O-N 2.98Å; E21-Y24 PolarHBondContact O-N 3.32Å; E21-Y24 VanDerWaalsContact O-N 3.1Å; E21-L25 HydrophobicContact CG-CD1 4.03Å; E21-L25 HydrophobicContact CG-CG 4.26Å; E21-L25 WeakPolarHBondContact O-CB 3.21Å; E21-L25 WeakPolarHBondContact O-CG 3.5Å; E21-L25 PolarHBondContact O-N 3.14Å; E21-E59 HydrophobicContact CB-CG 3.99Å; E21-E59 HydrophobicContact CG-CG 3.92Å; E21-T101 VanDerWaalsContact CD-OG1 3.24Å; E21-T101 WeakPolarHBondContact OE1-CG2 3.28Å; E21-T101 PolarHBondContact OE1-OG1 3.26Å; E21-T101 VanDerWaalsContact OE1-OG1 3.1Å; E21-T101 WeakPolarHBondContact OE2-CB 3.43Å; E21-T101 PolarHBondContact OE2-OG1 2.93Å; E21-Y103 HydrophobicContact CB-CD1 3.68Å; E21-Y103 HydrophobicContact CB-CE1 3.73Å; E21-Y103 HydrophobicContact CG-CD1 4.35Å; E21-Y103 WeakPolarHBondContact OE2-CB 3.45Å; E21-Y103 WeakPolarHBondContact OE2-CD1 3.33Å; E21-V104 WeakPolarHBondContact OE1-CG2 3.27Å
22T97.2Very high95.2Very high0 Ų033.9 Ų33.90%016%0.155CC..Hα-helixtrans-56.1-43.2175-60.30000111.2L18 D19 T20 S26 A55 A56 E60L18-T22 HydrophobicContact CB-CG2 4.21Å; L18-T22 HydrophobicContact CD1-CG2 4.02Å; D19-T22 VanDerWaalsContact O-CB 3.25Å; D19-T22 WeakPolarHBondContact O-CB 3.49Å; D19-T22 PolarHBondContact O-N 2.93Å; D19-T22 VanDerWaalsContact O-N 3.08Å; T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 3.48Å; T22-S26 WeakPolarHBondContact O-CB 3.22Å; T22-S26 PolarHBondContact O-N 3.38Å; T22-S26 PolarHBondContact O-OG 3.34Å; T22-A55 HydrophobicContact CG2-CB 3.95Å; T22-A55 WeakPolarHBondContact O-CB 3.23Å; T22-A56 HydrophobicContact CG2-CB 4.11Å; T22-E60 WeakPolarHBondContact CB-OE1 3.15Å; T22-E60 PolarHBondContact OG1-OE1 3.02Å
23L96.6Very high95.4Very high0 Ų033.9 Ų33.90%016%0.155CC..Hα-helixtrans-63.6-46.2175.3176.565.5000112L9 V10 D19 T20 E21 L25 S26 V27 M52 M199L9-L23 HydrophobicContact CB-CD1 4.06Å; V10-L23 HydrophobicContact CG2-CD1 4.33Å; V10-L23 HydrophobicContact CG2-CD2 3.92Å; D19-L23 PolarHBondContact O-N 3.2Å; T20-L23 WeakPolarHBondContact O-CB 3.21Å; T20-L23 PolarHBondContact O-N 2.86Å; T20-L23 VanDerWaalsContact O-N 3.11Å; E21-L23 VanDerWaalsContact C-N 3.27Å; E21-L23 PolarHBondContact O-N 2.98Å; L23-L25 PolarHBondContact O-N 2.89Å; L23-S26 WeakPolarHBondContact O-CB 3.42Å; L23-S26 PolarHBondContact O-N 3.03Å; L23-V27 HydrophobicContact CD1-CG2 4.42Å; L23-V27 WeakPolarHBondContact O-CG2 3.14Å; L23-V27 PolarHBondContact O-N 3.32Å; L23-M52 HydrophobicContact CD1-CE 3.89Å; L23-M199 HydrophobicContact CD2-CE 4.15Å
24Y96.5Very high95.4Very high11 Ų1136.4 Ų36.44%0.04317%0.168CC..Hα-helixtrans-60.9-45.9178.5-87.2-96.7000111.9T20 E21 S26 V27 F28 A102 S127 E128 L131T20-Y24 HydrophobicContact CG2-CD2 3.81Å; T20-Y24 HydrophobicContact CG2-CE2 3.64Å; T20-Y24 WeakPolarHBondContact O-CD2 3.26Å; T20-Y24 PolarHBondContact O-N 2.88Å; T20-Y24 VanDerWaalsContact O-N 3.08Å; E21-Y24 PolarHBondContact O-N 3.32Å; E21-Y24 VanDerWaalsContact O-N 3.1Å; Y24-S26 VanDerWaalsContact C-N 3.34Å; Y24-S26 PolarHBondContact O-N 3.35Å; Y24-V27 PolarHBondContact O-N 3.4Å; Y24-F28 WeakPolarHBondContact O-CB 3.46Å; Y24-F28 PolarHBondContact O-N 2.87Å; Y24-A102 HydrophobicContact CE1-CB 3.94Å; Y24-S127 VanDerWaalsContact OH-C 3.25Å; Y24-S127 VanDerWaalsContact OH-CB 3.25Å; Y24-S127 WeakPolarHBondContact OH-CB 3.22Å; Y24-S127 PolarHBondContact OH-OG 3.21Å; Y24-E128 HydrophobicContact CE2-CG 3.69Å; Y24-E128 WeakPolarHBondContact OH-CG 3.48Å; Y24-E128 PolarHBondContact OH-N 3.2Å; Y24-L131 HydrophobicContact CD1-CD1 4.12Å; Y24-L131 HydrophobicContact CD1-CD2 3.92Å; Y24-L131 HydrophobicContact CD1-CG 4.49Å; Y24-L131 HydrophobicContact CD2-CD1 4.24Å; Y24-L131 HydrophobicContact CE1-CD1 3.93Å; Y24-L131 HydrophobicContact CE1-CD2 3.83Å; Y24-L131 HydrophobicContact CE1-CG 4.11Å; Y24-L131 HydrophobicContact CE2-CD1 4.07Å; Y24-L131 HydrophobicContact CG-CD1 4.27Å
25L97.3Very high95.5Very high1 Ų138.5 Ų38.51%0.00519%0.188CC..Hα-helixtrans-62.1-41.5175.9-70.2175.4000111.5E21 L23 V27 F28 Y29 A55 Y58 E59 T99 T101E21-L25 HydrophobicContact CG-CD1 4.03Å; E21-L25 HydrophobicContact CG-CG 4.26Å; E21-L25 WeakPolarHBondContact O-CB 3.21Å; E21-L25 WeakPolarHBondContact O-CG 3.5Å; E21-L25 PolarHBondContact O-N 3.14Å; L23-L25 PolarHBondContact O-N 2.89Å; L25-V27 PolarHBondContact O-N 3.35Å; L25-F28 PolarHBondContact O-N 3.2Å; L25-Y29 HydrophobicContact CB-CE2 3.99Å; L25-Y29 HydrophobicContact CD2-CE1 4.48Å; L25-Y29 VanDerWaalsContact O-CD2 3.27Å; L25-Y29 WeakPolarHBondContact O-CD2 3.42Å; L25-Y29 PolarHBondContact O-N 3.35Å; L25-A55 HydrophobicContact CB-CB 3.86Å; L25-Y58 HydrophobicContact CD1-CD1 3.76Å; L25-Y58 HydrophobicContact CD1-CE1 4.24Å; L25-E59 HydrophobicContact CD1-CB 4.26Å; L25-T99 HydrophobicContact CD2-CG2 3.73Å; L25-T101 HydrophobicContact CD2-CG2 3.84Å; L25-T101 HydrophobicContact CG-CG2 4.24Å
26S97.3Very high95.6Very high0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-56.9-49176.6-57.70000112T22 L23 Y24 Y29 L30 M52 A55T22-S26 WeakPolarHBondContact O-CB 3.22Å; T22-S26 PolarHBondContact O-N 3.38Å; T22-S26 PolarHBondContact O-OG 3.34Å; L23-S26 WeakPolarHBondContact O-CB 3.42Å; L23-S26 PolarHBondContact O-N 3.03Å; Y24-S26 VanDerWaalsContact C-N 3.34Å; Y24-S26 PolarHBondContact O-N 3.35Å; S26-Y29 PolarHBondContact O-N 3.24Å; S26-L30 WeakPolarHBondContact O-CB 3.42Å; S26-L30 PolarHBondContact O-N 3.26Å; S26-M52 VanDerWaalsContact OG-CA 3.23Å; S26-M52 WeakPolarHBondContact OG-CA 3.49Å; S26-M52 WeakPolarHBondContact OG-CB 3.27Å; S26-A55 VanDerWaalsContact OG-CB 3.3Å; S26-A55 WeakPolarHBondContact OG-CB 3.37Å
27V96.4Very high95.8Very high3 Ų337.8 Ų37.82%0.01819%0.188CC..Hα-helixtrans-65.2-41.4178.9175.20000110.6R2 I6 L23 Y24 L25 L30 D31 L131R2-V27 VanDerWaalsContact NH2-CG1 3.34Å; I6-V27 HydrophobicContact CD1-CG1 3.81Å; I6-V27 HydrophobicContact CD1-CG2 4.18Å; I6-V27 HydrophobicContact CG1-CG2 4.14Å; I6-V27 HydrophobicContact CG2-CG2 4.11Å; L23-V27 HydrophobicContact CD1-CG2 4.42Å; L23-V27 WeakPolarHBondContact O-CG2 3.14Å; L23-V27 PolarHBondContact O-N 3.32Å; Y24-V27 PolarHBondContact O-N 3.4Å; L25-V27 PolarHBondContact O-N 3.35Å; V27-L30 WeakPolarHBondContact O-CB 3.37Å; V27-L30 PolarHBondContact O-N 3Å; V27-D31 WeakPolarHBondContact CG1-OD2 3.2Å; V27-D31 PolarHBondContact O-N 3.38Å; V27-L131 HydrophobicContact CG1-CD2 4.24Å
28F95.5Very high95.9Very high58 Ų5834.2 Ų34.225%0.25419%0.193SC..Hα-helixtrans-62.1-46.1177.1176.1-97.9000112.9Y24 L25 L30 D31 R32 T99Y24-F28 WeakPolarHBondContact O-CB 3.46Å; Y24-F28 PolarHBondContact O-N 2.87Å; L25-F28 PolarHBondContact O-N 3.2Å; F28-L30 VanDerWaalsContact C-N 3.33Å; F28-L30 PolarHBondContact O-N 3.26Å; F28-D31 PolarHBondContact O-N 2.68Å; F28-R32 HydrophobicContact CE1-CG 4.25Å; F28-R32 HydrophobicContact CE2-CG 4.26Å; F28-R32 HydrophobicContact CZ-CG 4.1Å; F28-R32 PolarHBondContact O-N 3.36Å; F28-T99 HydrophobicContact CB-CG2 4.5Å; F28-T99 HydrophobicContact CD1-CG2 3.26Å; F28-T99 HydrophobicContact CD2-CG2 4.09Å; F28-T99 VanDerWaalsContact CE1-CB 3.43Å; F28-T99 HydrophobicContact CE1-CG2 3.15Å; F28-T99 HydrophobicContact CE2-CG2 4.01Å; F28-T99 HydrophobicContact CG-CG2 3.71Å; F28-T99 VanDerWaalsContact CZ-CB 3.4Å; F28-T99 HydrophobicContact CZ-CG2 3.53Å; F28-T99 WeakPolarHBondContact CZ-OG1 3.37Å
29Y97.5Very high95.8Very high0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-62.3-42.4176.4-60.3-25.4000111.5L25 S26 F33 I54 A55 L93 L97L25-Y29 HydrophobicContact CB-CE2 3.99Å; L25-Y29 HydrophobicContact CD2-CE1 4.48Å; L25-Y29 VanDerWaalsContact O-CD2 3.27Å; L25-Y29 WeakPolarHBondContact O-CD2 3.42Å; L25-Y29 PolarHBondContact O-N 3.35Å; S26-Y29 PolarHBondContact O-N 3.24Å; Y29-F33 WeakPolarHBondContact O-CB 3.49Å; Y29-F33 PolarHBondContact O-N 3.24Å; Y29-I54 HydrophobicContact CD2-CB 4.36Å; Y29-I54 HydrophobicContact CD2-CG2 4.03Å; Y29-I54 HydrophobicContact CE2-CB 4.48Å; Y29-I54 HydrophobicContact CE2-CG2 3.82Å; Y29-A55 HydrophobicContact CD2-CB 4.18Å; Y29-A55 HydrophobicContact CE2-CB 3.83Å; Y29-L93 HydrophobicContact CD1-CD1 3.84Å; Y29-L93 HydrophobicContact CG-CD1 4.07Å; Y29-L97 HydrophobicContact CD1-CD2 4.18Å; Y29-L97 HydrophobicContact CE1-CB 4.19Å; Y29-L97 HydrophobicContact CE1-CD2 3.76Å; Y29-L97 HydrophobicContact CE2-CD2 4.31Å; Y29-L97 WeakPolarHBondContact OH-CB 3.3Å; Y29-L97 PolarHBondContact OH-O 3.42Å; Y29-L97 VanDerWaalsContact OH-O 3.07Å
30L96.9Very high95.8Very high0 Ų037.2 Ų37.20%021%0.214CC..Hα-helixtrans-56.7-50.7174.6173.967.9000111L5 S26 V27 F28 F33 L34 L44 V47 A51L5-L30 HydrophobicContact CD2-CD1 3.97Å; L5-L30 HydrophobicContact CD2-CD2 3.61Å; L5-L30 HydrophobicContact CD2-CG 4.46Å; L5-L30 HydrophobicContact CG-CD2 4.43Å; S26-L30 WeakPolarHBondContact O-CB 3.42Å; S26-L30 PolarHBondContact O-N 3.26Å; V27-L30 WeakPolarHBondContact O-CB 3.37Å; V27-L30 PolarHBondContact O-N 3Å; F28-L30 VanDerWaalsContact C-N 3.33Å; F28-L30 PolarHBondContact O-N 3.26Å; L30-F33 PolarHBondContact O-N 3.1Å; L30-L34 HydrophobicContact CD1-CD1 3.79Å; L30-L34 HydrophobicContact CD1-CG 4.13Å; L30-L34 HydrophobicContact CG-CD1 3.94Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.02Å; L30-L44 HydrophobicContact CD1-CD1 4.4Å; L30-V47 HydrophobicContact CD1-CB 4.31Å; L30-V47 HydrophobicContact CD1-CG1 3.64Å; L30-A51 HydrophobicContact CB-CB 4.39Å
31D95.3Very high95.6Very high14 Ų1445.3 Ų45.38%0.07524%0.241CC..Hα-helixtrans-68.9-41.2-175.6-70.9-34.4000113R2 V27 F28 F33 L34 S35 L138R2-D31 WeakPolarHBondContact CD-OD1 3.36Å; R2-D31 IonicContact CZ-OD1 3.6Å; R2-D31 IonicContact CZ-OD2 2.68Å; R2-D31 IonicContact NE-OD1 2.91Å; R2-D31 PolarHBondContact NE-OD1 2.99Å; R2-D31 IonicContact NE-OD2 3.55Å; R2-D31 PolarHBondContact NE-OD2 3.09Å; R2-D31 IonicContact NH2-OD1 3.31Å; R2-D31 IonicContact NH2-OD2 2.69Å; R2-D31 PolarHBondContact NH2-OD2 2.85Å; V27-D31 WeakPolarHBondContact CG1-OD2 3.2Å; V27-D31 PolarHBondContact O-N 3.38Å; F28-D31 PolarHBondContact O-N 2.68Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 2.69Å; D31-L34 PolarHBondContact O-N 3Å; D31-S35 WeakPolarHBondContact O-CB 3.45Å; D31-S35 PolarHBondContact O-N 3.13Å; D31-S35 PolarHBondContact O-OG 2.88Å; D31-L138 HydrophobicContact CB-CD2 4.01Å; D31-L138 WeakPolarHBondContact OD2-CD2 3.25Å
32R95.3Very high95.4Very high62 Ų6248.8 Ų48.823%0.23427%0.267CS..Hα-helixtrans-63-37.7173.5-77.9-174.865.9-179.811.1112.3F28 S35 L93 D96F28-R32 HydrophobicContact CE1-CG 4.25Å; F28-R32 HydrophobicContact CE2-CG 4.26Å; F28-R32 HydrophobicContact CZ-CG 4.1Å; F28-R32 PolarHBondContact O-N 3.36Å; R32-S35 PolarHBondContact O-N 3.34Å; R32-L93 HydrophobicContact CB-CD2 3.47Å; R32-L93 VanDerWaalsContact CB-CD2 3.47Å; R32-D96 IonicContact CZ-OD2 2.57Å; R32-D96 VanDerWaalsContact CZ-OD2 3.31Å; R32-D96 PolarHBondContact NH1-O 2.71Å; R32-D96 IonicContact NH1-OD2 3.42Å; R32-D96 PolarHBondContact NH1-OD2 2.94Å; R32-D96 IonicContact NH2-OD2 2.8Å; R32-D96 PolarHBondContact NH2-OD2 3.31Å
33F96.9Very high95.3Very high5 Ų552.4 Ų52.42%0.02228%0.282CS..Hα-helixtrans-65.9-49176.2-177.9-97.5000111.3Y29 L30 D31 S35 Q36 M37 V39 V47 M85 V88 I89 I92Y29-F33 WeakPolarHBondContact O-CB 3.49Å; Y29-F33 PolarHBondContact O-N 3.24Å; L30-F33 PolarHBondContact O-N 3.1Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 2.69Å; F33-S35 PolarHBondContact O-N 3.4Å; F33-Q36 PolarHBondContact O-N 3.34Å; F33-M37 HydrophobicContact CD1-CB 4.24Å; F33-M37 HydrophobicContact CD2-CG 4.25Å; F33-M37 HydrophobicContact CE1-CB 3.83Å; F33-M37 HydrophobicContact CE1-CG 4.26Å; F33-M37 HydrophobicContact CE2-CB 4.25Å; F33-M37 HydrophobicContact CE2-CG 3.76Å; F33-M37 HydrophobicContact CZ-CB 3.84Å; F33-M37 HydrophobicContact CZ-CG 3.78Å; F33-M37 WeakPolarHBondContact O-CB 3.43Å; F33-M37 PolarHBondContact O-N 2.71Å; F33-V39 HydrophobicContact CD1-CG2 4.3Å; F33-V39 HydrophobicContact CE1-CG2 3.7Å; F33-V47 HydrophobicContact CD1-CG1 3.51Å; F33-V47 HydrophobicContact CD1-CG2 4.37Å; F33-V47 HydrophobicContact CE1-CG1 3.85Å; F33-V47 HydrophobicContact CE1-CG2 3.87Å; F33-V47 HydrophobicContact CG-CG1 4.29Å; F33-M85 HydrophobicContact CZ-SD 4.24Å; F33-V88 HydrophobicContact CE2-CG1 3.9Å; F33-V88 HydrophobicContact CZ-CG1 4.06Å; F33-I89 HydrophobicContact CD2-CB 4.25Å; F33-I89 HydrophobicContact CD2-CG1 3.76Å; F33-I89 HydrophobicContact CD2-CG2 4.49Å; F33-I89 HydrophobicContact CE2-CG1 3.89Å; F33-I89 HydrophobicContact CG-CG1 4.14Å; F33-I89 HydrophobicContact CZ-CG1 4.38Å; F33-I92 HydrophobicContact CD2-CB 3.98Å; F33-I92 HydrophobicContact CD2-CG1 4.24Å; F33-I92 HydrophobicContact CD2-CG2 3.95Å; F33-I92 HydrophobicContact CE2-CB 4.12Å; F33-I92 HydrophobicContact CE2-CG1 3.87Å; F33-I92 HydrophobicContact CE2-CG2 4.38Å
34L95.3Very high95.2Very high54 Ų5453.5 Ų53.528%0.28329%0.288SS..Hα-helixtrans-65.4-23.9178.8-67.9176.3000113.1L30 D31 Q36 V39 L44L30-L34 HydrophobicContact CD1-CD1 3.79Å; L30-L34 HydrophobicContact CD1-CG 4.13Å; L30-L34 HydrophobicContact CG-CD1 3.94Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.02Å; D31-L34 PolarHBondContact O-N 3Å; L34-Q36 PolarHBondContact O-N 3.13Å; L34-V39 HydrophobicContact CD2-CB 3.87Å; L34-V39 HydrophobicContact CD2-CG2 3.61Å; L34-L44 HydrophobicContact CD1-CD1 4.01Å; L34-L44 HydrophobicContact CD2-CD1 4.05Å
35S93.7Very high95.2Very high100 Ų10055.7 Ų55.770%0.69930%0.299SS*.THydrogen-bonded Turntrans-68.4-21.6173.4-60.70000113.1D31 R32 F33D31-S35 WeakPolarHBondContact O-CB 3.45Å; D31-S35 PolarHBondContact O-N 3.13Å; D31-S35 PolarHBondContact O-OG 2.88Å; R32-S35 PolarHBondContact O-N 3.34Å; F33-S35 PolarHBondContact O-N 3.4Å
36Q95.3Very high95.2Very high115 Ų11556.1 Ų56.154%0.53730%0.301SS..THydrogen-bonded Turntrans-113-22.7-178.3-63.8-175.461.500113.2F33 L34 I92F33-Q36 PolarHBondContact O-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.13Å; Q36-I92 HydrophobicContact CB-CG2 3.93Å; Q36-I92 HydrophobicContact CG-CG2 4.4Å
37M95.4Very high95.2Very high72 Ų7256.1 Ų56.136%0.35530%0.301SS..  trans-125.5125.3-171.9-65.8-65.4-66.700111.2F33 V39 I92F33-M37 HydrophobicContact CD1-CB 4.24Å; F33-M37 HydrophobicContact CD2-CG 4.25Å; F33-M37 HydrophobicContact CE1-CB 3.83Å; F33-M37 HydrophobicContact CE1-CG 4.26Å; F33-M37 HydrophobicContact CE2-CB 4.25Å; F33-M37 HydrophobicContact CE2-CG 3.76Å; F33-M37 HydrophobicContact CZ-CB 3.84Å; F33-M37 HydrophobicContact CZ-CG 3.78Å; F33-M37 WeakPolarHBondContact O-CB 3.43Å; F33-M37 PolarHBondContact O-N 2.71Å; M37-V39 PolarHBondContact O-N 2.9Å; M37-I92 HydrophobicContact CG-CD1 4.13Å; M37-I92 HydrophobicContact CG-CG1 4.02Å; M37-I92 HydrophobicContact CG-CG2 4.3Å; M37-I92 HydrophobicContact SD-CD1 3.81Å; M37-I92 HydrophobicContact SD-CG1 4.26Å
38A93.6Very high95.3Very high109 Ų10956 Ų5690%0.90130%0.3SS*.  trans-75.2121.1169.600000110.1
39V94.4Very high95.4Very high47 Ų4753.2 Ų53.229%0.28529%0.288SS..  trans-117.7128.9-177.4-178.90000109.9F33 L34 M37 K43 V47F33-V39 HydrophobicContact CD1-CG2 4.3Å; F33-V39 HydrophobicContact CE1-CG2 3.7Å; L34-V39 HydrophobicContact CD2-CB 3.87Å; L34-V39 HydrophobicContact CD2-CG2 3.61Å; M37-V39 PolarHBondContact O-N 2.9Å; V39-K43 HydrophobicContact CG1-CB 3.95Å; V39-V47 HydrophobicContact CG1-CG2 3.98Å; V39-V47 HydrophobicContact CG2-CG2 4.2Å
40V94.3Very high95.4Very high94 Ų9453.2 Ų53.257%0.5729%0.288SS*.  trans-70.7147.3172.7-64.10000110.7S42 K43 L44V40-S42 PolarHBondContact O-N 3.05Å; V40-S42 VanDerWaalsContact O-N 3.07Å; V40-K43 HydrophobicContact CG2-CB 4.07Å; V40-K43 HydrophobicContact CG2-CG 3.71Å; V40-K43 PolarHBondContact O-N 3.32Å; V40-L44 PolarHBondContact O-N 2.96Å
41R91.1Very high95.4Very high196 Ų19653.2 Ų53.274%0.7429%0.288SS*.Hα-helixtrans-47.8-42.7-177.6178.4179.5177.8-179.4-2.8113.8M1 K43 L44M1-R41 HydrophobicContact SD-CB 3.94Å; M1-R41 VanDerWaalsContact SD-CD 3.5Å; M1-R41 HydrophobicContact SD-CG 3.53Å; M1-R41 VanDerWaalsContact SD-CG 3.53Å; R41-K43 PolarHBondContact O-N 2.81Å; R41-L44 WeakPolarHBondContact O-CB 3.28Å; R41-L44 PolarHBondContact O-N 3.1Å
42S91.8Very high95.6Very high83 Ų8352.6 Ų52.658%0.5829%0.285SS*.Hα-helixtrans-70-6.5-178.458.60000114.9V40 Y77V40-S42 PolarHBondContact O-N 3.05Å; V40-S42 VanDerWaalsContact O-N 3.07Å; S42-Y77 PolarHBondContact O-OH 3.1Å
43K94.4Very high95.7Very high76 Ų7651.1 Ų51.133%0.3328%0.279SS..Hα-helixtrans-113.5-3.5175.6-62.8-59.8-179.1-168.60112.7V39 V40 R41 Q45 L46 V47 Y77V39-K43 HydrophobicContact CG1-CB 3.95Å; V40-K43 HydrophobicContact CG2-CB 4.07Å; V40-K43 HydrophobicContact CG2-CG 3.71Å; V40-K43 PolarHBondContact O-N 3.32Å; R41-K43 PolarHBondContact O-N 2.81Å; K43-Q45 PolarHBondContact O-N 3.32Å; K43-L46 HydrophobicContact CD-CD2 4.29Å; K43-L46 WeakPolarHBondContact O-CB 3.5Å; K43-L46 PolarHBondContact O-N 3.12Å; K43-V47 WeakPolarHBondContact O-CG2 3.49Å; K43-V47 PolarHBondContact O-N 2.73Å; K43-V47 VanDerWaalsContact O-N 3.1Å; K43-Y77 HydrophobicContact CD-CE1 4.42Å
44L95.3Very high95.8Very high23 Ų2351.1 Ų51.112%0.1228%0.28CS..Hα-helixtrans-63.3-41.8-177-172.959.3000111.6M1 L5 L30 L34 V40 R41 V47 G48M1-L44 HydrophobicContact CB-CD2 4.01Å; L5-L44 HydrophobicContact CD2-CD1 4.13Å; L5-L44 HydrophobicContact CD2-CG 3.85Å; L30-L44 HydrophobicContact CD1-CD1 4.4Å; L34-L44 HydrophobicContact CD1-CD1 4.01Å; L34-L44 HydrophobicContact CD2-CD1 4.05Å; V40-L44 PolarHBondContact O-N 2.96Å; R41-L44 WeakPolarHBondContact O-CB 3.28Å; R41-L44 PolarHBondContact O-N 3.1Å; L44-V47 PolarHBondContact O-N 3.33Å; L44-G48 PolarHBondContact O-N 3.05Å
45Q96.5Very high95.9Very high58 Ų5848.5 Ų48.527%0.27127%0.266SS..Hα-helixtrans-62.4-43.1175.3-170.3-174.930.200111.7L5 W8 K43 V47 G48 T49 T73 Y77L5-Q45 HydrophobicContact CD1-CB 4.49Å; L5-Q45 HydrophobicContact CD1-CG 4.48Å; W8-Q45 HydrophobicContact CE3-CG 4.48Å; W8-Q45 HydrophobicContact CH2-CG 4.19Å; W8-Q45 HydrophobicContact CZ3-CG 4.13Å; K43-Q45 PolarHBondContact O-N 3.32Å; Q45-V47 VanDerWaalsContact C-N 3.28Å; Q45-V47 PolarHBondContact O-N 2.91Å; Q45-G48 PolarHBondContact O-N 2.86Å; Q45-G48 VanDerWaalsContact O-N 3.09Å; Q45-T49 WeakPolarHBondContact O-CB 3.05Å; Q45-T49 PolarHBondContact O-N 2.73Å; Q45-T49 PolarHBondContact O-OG1 2.98Å; Q45-T73 HydrophobicContact CG-CG2 4.44Å; Q45-Y77 HydrophobicContact CB-CE2 4.07Å; Q45-Y77 HydrophobicContact CG-CE2 4.21Å
46L97.2Very high96.1Very high9 Ų943.8 Ų43.85%0.04723%0.233CC..Hα-helixtrans-57.5-40.3175.2176.561.5000112.6K43 A50 Y77 Q81 V82 M85K43-L46 HydrophobicContact CD-CD2 4.29Å; K43-L46 WeakPolarHBondContact O-CB 3.5Å; K43-L46 PolarHBondContact O-N 3.12Å; L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 2.92Å; L46-Y77 HydrophobicContact CB-CD1 3.91Å; L46-Y77 HydrophobicContact CB-CD2 4.17Å; L46-Y77 HydrophobicContact CB-CE1 3.68Å; L46-Y77 HydrophobicContact CB-CE2 3.96Å; L46-Y77 HydrophobicContact CB-CG 4.14Å; L46-Y77 HydrophobicContact CD1-CD1 4.12Å; L46-Y77 HydrophobicContact CD1-CD2 4.3Å; L46-Y77 HydrophobicContact CD1-CG 3.87Å; L46-Y77 HydrophobicContact CD2-CD1 4.08Å; L46-Y77 HydrophobicContact CD2-CE1 4.32Å; L46-Y77 HydrophobicContact CG-CD1 4.26Å; L46-Y77 HydrophobicContact CG-CE1 4.46Å; L46-Y77 HydrophobicContact CG-CG 4.44Å; L46-Q81 HydrophobicContact CD1-CB 4.37Å; L46-Q81 HydrophobicContact CD2-CB 4.36Å; L46-V82 HydrophobicContact CD1-CB 4.48Å; L46-V82 HydrophobicContact CD1-CG2 3.92Å; L46-M85 HydrophobicContact CD1-CB 4.22Å; L46-M85 HydrophobicContact CD2-CB 4.34Å; L46-M85 HydrophobicContact CD2-CE 3.88Å; L46-M85 HydrophobicContact CG-CB 4Å; L46-M85 HydrophobicContact CG-CE 4.09Å; L46-M85 HydrophobicContact CG-CG 4.13Å
47V97.8Very high96.2Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-65.1-46.1175.3178.60000110.4L30 F33 V39 K43 L44 Q45 A50 A51 M85 I89L30-V47 HydrophobicContact CD1-CB 4.31Å; L30-V47 HydrophobicContact CD1-CG1 3.64Å; F33-V47 HydrophobicContact CD1-CG1 3.51Å; F33-V47 HydrophobicContact CD1-CG2 4.37Å; F33-V47 HydrophobicContact CE1-CG1 3.85Å; F33-V47 HydrophobicContact CE1-CG2 3.87Å; F33-V47 HydrophobicContact CG-CG1 4.29Å; V39-V47 HydrophobicContact CG1-CG2 3.98Å; V39-V47 HydrophobicContact CG2-CG2 4.2Å; K43-V47 WeakPolarHBondContact O-CG2 3.49Å; K43-V47 PolarHBondContact O-N 2.73Å; K43-V47 VanDerWaalsContact O-N 3.1Å; L44-V47 PolarHBondContact O-N 3.33Å; Q45-V47 VanDerWaalsContact C-N 3.28Å; Q45-V47 PolarHBondContact O-N 2.91Å; V47-A50 PolarHBondContact O-N 2.99Å; V47-A51 VanDerWaalsContact O-CB 3.29Å; V47-A51 WeakPolarHBondContact O-CB 3.2Å; V47-A51 PolarHBondContact O-N 2.93Å; V47-M85 HydrophobicContact CG2-CE 3.78Å; V47-M85 HydrophobicContact CG2-CG 4.43Å; V47-M85 HydrophobicContact CG2-SD 3.87Å; V47-I89 HydrophobicContact CG1-CD1 4.11Å
48G97.4Very high96.3Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-59.3-47.2176.400000112.9L44 Q45 A50 A51 M52L44-G48 PolarHBondContact O-N 3.05Å; Q45-G48 PolarHBondContact O-N 2.86Å; Q45-G48 VanDerWaalsContact O-N 3.09Å; G48-A50 PolarHBondContact O-N 3.47Å; G48-A51 PolarHBondContact O-N 2.97Å; G48-M52 PolarHBondContact O-N 3.33Å
49T97.4Very high96.5Very high1 Ų142.9 Ų42.91%0.00620%0.204CC..Hα-helixtrans-58-47.3175.9-560000111.6W8 Q45 M52 Y53 F69 T73 V82W8-T49 WeakPolarHBondContact CH2-OG1 3.4Å; Q45-T49 WeakPolarHBondContact O-CB 3.05Å; Q45-T49 PolarHBondContact O-N 2.73Å; Q45-T49 PolarHBondContact O-OG1 2.98Å; T49-M52 PolarHBondContact O-N 2.97Å; T49-Y53 WeakPolarHBondContact O-CB 3.01Å; T49-Y53 PolarHBondContact O-N 3.45Å; T49-F69 HydrophobicContact CG2-CB 3.77Å; T49-F69 HydrophobicContact CG2-CD1 4.03Å; T49-F69 HydrophobicContact CG2-CG 4.32Å; T49-T73 HydrophobicContact CG2-CG2 4.12Å; T49-T73 WeakPolarHBondContact OG1-CG2 3.46Å; T49-V82 HydrophobicContact CG2-CG1 4.4Å; T49-V82 HydrophobicContact CG2-CG2 4.43Å
50A98.1Very high96.6Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-69.1-37.1179.200000112.5L46 V47 G48 Y53 I54 M85 I89L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 2.92Å; V47-A50 PolarHBondContact O-N 2.99Å; G48-A50 PolarHBondContact O-N 3.47Å; A50-Y53 PolarHBondContact O-N 3.24Å; A50-I54 WeakPolarHBondContact O-CD1 3.5Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 3.38Å; A50-M85 HydrophobicContact CB-CB 3.79Å; A50-M85 HydrophobicContact CB-CG 3.55Å; A50-I89 HydrophobicContact CB-CD1 3.74Å
51A98.1Very high96.7Very high0 Ų045 Ų450%021%0.207CC..Hα-helixtrans-61.8-43.9174.700000111.3L30 V47 G48 I54 A55 I89L30-A51 HydrophobicContact CB-CB 4.39Å; V47-A51 VanDerWaalsContact O-CB 3.29Å; V47-A51 WeakPolarHBondContact O-CB 3.2Å; V47-A51 PolarHBondContact O-N 2.93Å; G48-A51 PolarHBondContact O-N 2.97Å; A51-I54 PolarHBondContact O-N 3.44Å; A51-A55 PolarHBondContact O-N 2.97Å; A51-I89 HydrophobicContact CB-CD1 4.32Å
52M97.9Very high96.9Very high1 Ų145.4 Ų45.41%0.00521%0.211CC..Hα-helixtrans-69.4-36.3176.2-174.1166-86.600113.3L9 V12 L18 L23 S26 G48 T49 I54 A55 A56 F69L9-M52 HydrophobicContact CB-CE 3.69Å; L9-M52 HydrophobicContact CD2-CB 4.08Å; L9-M52 HydrophobicContact CD2-CE 3.72Å; L9-M52 HydrophobicContact CD2-SD 3.79Å; L9-M52 HydrophobicContact CG-CE 4.17Å; L9-M52 WeakPolarHBondContact O-CE 3.16Å; V12-M52 HydrophobicContact CB-SD 4.03Å; V12-M52 HydrophobicContact CG1-SD 3.46Å; V12-M52 WeakPolarHBondContact CG1-SD 3.17Å; L18-M52 HydrophobicContact CD1-CG 4.21Å; L18-M52 HydrophobicContact CD1-SD 4.11Å; L23-M52 HydrophobicContact CD1-CE 3.89Å; S26-M52 VanDerWaalsContact OG-CA 3.23Å; S26-M52 WeakPolarHBondContact OG-CA 3.49Å; S26-M52 WeakPolarHBondContact OG-CB 3.27Å; G48-M52 PolarHBondContact O-N 3.33Å; T49-M52 PolarHBondContact O-N 2.97Å; M52-I54 VanDerWaalsContact C-N 3.31Å; M52-I54 PolarHBondContact O-N 3.42Å; M52-A55 PolarHBondContact O-N 2.57Å; M52-A56 WeakPolarHBondContact O-CB 3.36Å; M52-A56 PolarHBondContact O-N 3.14Å; M52-F69 HydrophobicContact CB-CE1 4.09Å; M52-F69 HydrophobicContact CG-CE1 3.76Å; M52-F69 HydrophobicContact CG-CZ 4.19Å; M52-F69 HydrophobicContact SD-CE1 4.28Å
53Y98.1Very high97.1Very high30 Ų3044 Ų4412%0.11820%0.199CC..Hα-helixtrans-61.6-40.1172.1-177.6-124000112.3T49 A50 K57 V66 F69 L83 E86T49-Y53 WeakPolarHBondContact O-CB 3.01Å; T49-Y53 PolarHBondContact O-N 3.45Å; A50-Y53 PolarHBondContact O-N 3.24Å; Y53-K57 HydrophobicContact CE1-CD 4.15Å; Y53-K57 HydrophobicContact CE2-CD 4.2Å; Y53-K57 HydrophobicContact CE2-CG 4.22Å; Y53-K57 WeakPolarHBondContact O-CG 3.33Å; Y53-K57 PolarHBondContact O-N 3.32Å; Y53-K57 VanDerWaalsContact O-N 3.13Å; Y53-V66 HydrophobicContact CE1-CB 4.3Å; Y53-V66 HydrophobicContact CE1-CG2 4.4Å; Y53-V66 HydrophobicContact CE2-CB 4.15Å; Y53-F69 AromaticContact CD2-CD2 3.49Å; Y53-F69 HydrophobicContact CD2-CD2 3.49Å; Y53-F69 VanDerWaalsContact CD2-CD2 3.49Å; Y53-F69 AromaticContact CD2-CE2 3.51Å; Y53-F69 HydrophobicContact CD2-CE2 3.51Å; Y53-F69 HydrophobicContact CD2-CG 4.39Å; Y53-F69 HydrophobicContact CD2-CZ 4.4Å; Y53-F69 HydrophobicContact CE2-CD2 4.28Å; Y53-F69 HydrophobicContact CE2-CE2 4.38Å; Y53-F69 HydrophobicContact CG-CD2 4.18Å; Y53-F69 HydrophobicContact CG-CE2 4.32Å; Y53-L83 HydrophobicContact CE1-CD2 4.1Å; Y53-E86 WeakPolarHBondContact CD1-OE1 3.39Å; Y53-E86 WeakPolarHBondContact CE1-OE1 3.41Å
54I98.4Very high97.1Very high5 Ų541 Ų413%0.02619%0.188CC..Hα-helixtrans-64.5-46.9174.3-68.2161.9000110.7Y29 A50 A51 M52 K57 Y58 E86 I89 L90 L97Y29-I54 HydrophobicContact CD2-CB 4.36Å; Y29-I54 HydrophobicContact CD2-CG2 4.03Å; Y29-I54 HydrophobicContact CE2-CB 4.48Å; Y29-I54 HydrophobicContact CE2-CG2 3.82Å; A50-I54 WeakPolarHBondContact O-CD1 3.5Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 3.38Å; A51-I54 PolarHBondContact O-N 3.44Å; M52-I54 VanDerWaalsContact C-N 3.31Å; M52-I54 PolarHBondContact O-N 3.42Å; I54-K57 PolarHBondContact O-N 3.19Å; I54-Y58 PolarHBondContact O-N 3.05Å; I54-Y58 VanDerWaalsContact O-N 3.12Å; I54-E86 HydrophobicContact CD1-CB 4.4Å; I54-E86 HydrophobicContact CD1-CG 4.19Å; I54-E86 HydrophobicContact CG1-CB 4.4Å; I54-E86 HydrophobicContact CG1-CG 3.94Å; I54-I89 HydrophobicContact CD1-CB 3.78Å; I54-I89 HydrophobicContact CD1-CD1 4.36Å; I54-I89 HydrophobicContact CD1-CG2 3.6Å; I54-L90 HydrophobicContact CD1-CD2 4.15Å; I54-L90 HydrophobicContact CD1-CG 3.97Å; I54-L90 HydrophobicContact CG1-CD2 4.36Å; I54-L90 HydrophobicContact CG1-CG 4.37Å; I54-L90 HydrophobicContact CG2-CD2 3.97Å; I54-L97 HydrophobicContact CG2-CD1 3.91Å; I54-L97 HydrophobicContact CG2-CD2 4.03Å
55A98Very high97.1Very high0 Ų046.8 Ų46.80%021%0.214CC..Hα-helixtrans-61-45.1178.900000112T22 L25 S26 Y29 A51 M52 K57 Y58 E59T22-A55 HydrophobicContact CG2-CB 3.95Å; T22-A55 WeakPolarHBondContact O-CB 3.23Å; L25-A55 HydrophobicContact CB-CB 3.86Å; S26-A55 VanDerWaalsContact OG-CB 3.3Å; S26-A55 WeakPolarHBondContact OG-CB 3.37Å; Y29-A55 HydrophobicContact CD2-CB 4.18Å; Y29-A55 HydrophobicContact CE2-CB 3.83Å; A51-A55 PolarHBondContact O-N 2.97Å; M52-A55 PolarHBondContact O-N 2.57Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.19Å; A55-Y58 WeakPolarHBondContact O-CB 3.39Å; A55-Y58 PolarHBondContact O-N 2.94Å; A55-E59 PolarHBondContact O-N 3.12Å
56A97.8Very high97.1Very high0 Ų044.4 Ų44.40%020%0.204CC..Hα-helixtrans-59.7-44.9178.100000111.1T22 M52 Y58 E59 E60 P63 F69T22-A56 HydrophobicContact CG2-CB 4.11Å; M52-A56 WeakPolarHBondContact O-CB 3.36Å; M52-A56 PolarHBondContact O-N 3.14Å; A56-Y58 PolarHBondContact O-N 3.44Å; A56-E59 PolarHBondContact O-N 3.29Å; A56-E60 HydrophobicContact CB-CG 4.09Å; A56-E60 WeakPolarHBondContact O-CB 3.38Å; A56-E60 WeakPolarHBondContact O-CG 3.48Å; A56-E60 PolarHBondContact O-N 3.46Å; A56-P63 HydrophobicContact CB-CB 4.22Å; A56-F69 HydrophobicContact CB-CZ 4.26Å
57K97.7Very high96.9Very high92 Ų9245.9 Ų45.940%0.422%0.221SC..Hα-helixtrans-64.8-23175.9-74.2-166.9-61.4171.10114.5Y53 I54 A55 P63 E86Y53-K57 HydrophobicContact CE1-CD 4.15Å; Y53-K57 HydrophobicContact CE2-CD 4.2Å; Y53-K57 HydrophobicContact CE2-CG 4.22Å; Y53-K57 WeakPolarHBondContact O-CG 3.33Å; Y53-K57 PolarHBondContact O-N 3.32Å; Y53-K57 VanDerWaalsContact O-N 3.13Å; I54-K57 PolarHBondContact O-N 3.19Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.19Å; K57-P63 HydrophobicContact CG-CB 4.2Å; K57-P63 HydrophobicContact CG-CG 4.31Å; K57-E86 WeakPolarHBondContact CE-OE1 3.37Å; K57-E86 VanDerWaalsContact NZ-CD 3.26Å; K57-E86 IonicContact NZ-OE1 3.11Å; K57-E86 PolarHBondContact NZ-OE1 3.44Å; K57-E86 IonicContact NZ-OE2 2.81Å; K57-E86 PolarHBondContact NZ-OE2 2.81Å
58Y97.1Very high96.7Very high106 Ų10649.6 Ų49.642%0.41624%0.238SC..Hα-helixtrans-84-43.1-179.9-176.7-92.5000111.6L25 I54 A55 A56 L97L25-Y58 HydrophobicContact CD1-CD1 3.76Å; L25-Y58 HydrophobicContact CD1-CE1 4.24Å; I54-Y58 PolarHBondContact O-N 3.05Å; I54-Y58 VanDerWaalsContact O-N 3.12Å; A55-Y58 WeakPolarHBondContact O-CB 3.39Å; A55-Y58 PolarHBondContact O-N 2.94Å; A56-Y58 PolarHBondContact O-N 3.44Å; Y58-L97 HydrophobicContact CD2-CB 4.12Å; Y58-L97 HydrophobicContact CD2-CD1 4.24Å; Y58-L97 HydrophobicContact CE2-CB 4.12Å
59E97Very high96.5Very high80 Ų8049.8 Ų49.837%0.37424%0.239SC..Hα-helixtrans-103.6-35.5-168.7-168.361.4-154.400113.7E21 L25 A55 A56E21-E59 HydrophobicContact CB-CG 3.99Å; E21-E59 HydrophobicContact CG-CG 3.92Å; L25-E59 HydrophobicContact CD1-CB 4.26Å; A55-E59 PolarHBondContact O-N 3.12Å; A56-E59 PolarHBondContact O-N 3.29Å
60E96.9Very high96.3Very high42 Ų4250.4 Ų50.420%0.19624%0.243CC..  trans-77.7141.4-173.6-58.4-64.4158.800112.3L18 D19 T22 A56 Y62 P63L18-E60 WeakPolarHBondContact CA-OE1 3.44Å; L18-E60 WeakPolarHBondContact CB-OE1 3.46Å; L18-E60 HydrophobicContact CD2-CG 4.12Å; D19-E60 PolarHBondContact N-OE1 2.91Å; T22-E60 WeakPolarHBondContact CB-OE1 3.15Å; T22-E60 PolarHBondContact OG1-OE1 3.02Å; A56-E60 HydrophobicContact CB-CG 4.09Å; A56-E60 WeakPolarHBondContact O-CB 3.38Å; A56-E60 WeakPolarHBondContact O-CG 3.48Å; A56-E60 PolarHBondContact O-N 3.46Å; E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-P63 HydrophobicContact CB-CB 4.26Å
61I96.6Very high96Very high142 Ų14257.3 Ų57.373%0.72827%0.273SS*.SBendtrans-64.5-40.6170.5-57.4174.3000110.1
62Y95.4Very high95.6Very high205 Ų20559.1 Ų59.180%0.80428%0.282SS*.SBendtrans-129.880.7-179.5-57.5-68.8000109.6E60E60-Y62 VanDerWaalsContact C-N 3.3Å
63P95.9Very high95.2Very high53 Ų5359.1 Ų59.134%0.34428%0.283SS..PPolyproline II helixtrans-64.9142.9-178.825.7-34.2000111.5A56 K57 E60A56-P63 HydrophobicContact CB-CB 4.22Å; K57-P63 HydrophobicContact CG-CB 4.2Å; K57-P63 HydrophobicContact CG-CG 4.31Å; E60-P63 HydrophobicContact CB-CB 4.26Å
64P95.5Very high94.7Very high13 Ų1364.5 Ų64.58%0.08431%0.313CS..PPolyproline II helixtrans-57.5149.5174-22.131.8000112.1Y16 L18 E68 F69Y16-P64 HydrophobicContact CD1-CB 4.07Å; Y16-P64 HydrophobicContact CD1-CG 3.91Å; Y16-P64 HydrophobicContact CE1-CB 4.41Å; Y16-P64 HydrophobicContact CG-CG 4.16Å; L18-P64 HydrophobicContact CD2-CG 3.86Å; P64-E68 WeakPolarHBondContact CA-OE2 3.42Å; P64-E68 HydrophobicContact CB-CB 4.31Å; P64-E68 WeakPolarHBondContact CB-OE2 3.16Å; P64-F69 HydrophobicContact CB-CD2 4.32Å; P64-F69 HydrophobicContact CB-CE2 3.74Å; P64-F69 HydrophobicContact CB-CZ 4.44Å; P64-F69 HydrophobicContact CG-CE2 4.1Å; P64-F69 HydrophobicContact CG-CZ 4.38Å
65E95.4Very high94.2Very high146 Ų14669.8 Ų69.868%0.68234%0.342SS*.PPolyproline II helixtrans-70.7152.2176.6-70.2-165.3-177.100110.9G67 E68 F69E65-G67 PolarHBondContact O-N 3.03Å; E65-E68 PolarHBondContact N-OE2 3.29Å; E65-E68 WeakPolarHBondContact O-CB 3.48Å; E65-E68 PolarHBondContact O-N 2.89Å; E65-F69 PolarHBondContact O-N 3.39Å
66V95.3Very high93.8Very high8 Ų873.3 Ų73.35%0.04837%0.366CS..Hα-helixtrans-58-24.3176.865.30000113.3Y53 E68 F69 V70 K79 V82 L83Y53-V66 HydrophobicContact CE1-CB 4.3Å; Y53-V66 HydrophobicContact CE1-CG2 4.4Å; Y53-V66 HydrophobicContact CE2-CB 4.15Å; V66-E68 VanDerWaalsContact C-N 3.3Å; V66-F69 PolarHBondContact O-N 3.14Å; V66-V70 WeakPolarHBondContact O-CG2 3.47Å; V66-V70 PolarHBondContact O-N 3.32Å; V66-V70 VanDerWaalsContact O-N 3.1Å; V66-K79 HydrophobicContact CG1-CD 3.66Å; V66-K79 HydrophobicContact CG1-CG 3.77Å; V66-K79 HydrophobicContact CG2-CG 4.21Å; V66-V82 HydrophobicContact CG2-CB 4.1Å; V66-V82 HydrophobicContact CG2-CG1 3.86Å; V66-L83 HydrophobicContact CG2-CD2 4.12Å; V66-L83 HydrophobicContact CG2-CG 4.26Å
67G93.8Very high93.7Very high39 Ų3974.1 Ų74.140%0.40237%0.369SS..Hα-helixtrans-65.1-34.1174.300000112.8E65 V70 F71E65-G67 PolarHBondContact O-N 3.03Å; G67-V70 PolarHBondContact O-N 2.89Å; G67-F71 PolarHBondContact O-N 3.4Å
68E93.7Very high93.6Very high79 Ų7973.4 Ų73.437%0.36937%0.373SS..Hα-helixtrans-69-43.1177.3-62.8-176.3115.200110.6Y16 P64 E65 V66 V70 F71 L72Y16-E68 HydrophobicContact CE1-CB 3.78Å; Y16-E68 HydrophobicContact CE1-CG 4.17Å; P64-E68 WeakPolarHBondContact CA-OE2 3.42Å; P64-E68 HydrophobicContact CB-CB 4.31Å; P64-E68 WeakPolarHBondContact CB-OE2 3.16Å; E65-E68 PolarHBondContact N-OE2 3.29Å; E65-E68 WeakPolarHBondContact O-CB 3.48Å; E65-E68 PolarHBondContact O-N 2.89Å; V66-E68 VanDerWaalsContact C-N 3.3Å; E68-V70 VanDerWaalsContact C-N 3.28Å; E68-V70 PolarHBondContact O-N 3.29Å; E68-F71 WeakPolarHBondContact O-CB 3.29Å; E68-F71 PolarHBondContact O-N 3.03Å; E68-L72 WeakPolarHBondContact O-CG 3.32Å; E68-L72 PolarHBondContact O-N 2.74Å
69F92.6Very high93.6Very high3 Ų373.8 Ų73.81%0.01338%0.377CS..Hα-helixtrans-63.1-31.5173.1-77.7-77000113.8V12 T49 M52 Y53 A56 P64 E65 V66 L72 T73V12-F69 HydrophobicContact CG1-CE1 4.48Å; T49-F69 HydrophobicContact CG2-CB 3.77Å; T49-F69 HydrophobicContact CG2-CD1 4.03Å; T49-F69 HydrophobicContact CG2-CG 4.32Å; M52-F69 HydrophobicContact CB-CE1 4.09Å; M52-F69 HydrophobicContact CG-CE1 3.76Å; M52-F69 HydrophobicContact CG-CZ 4.19Å; M52-F69 HydrophobicContact SD-CE1 4.28Å; Y53-F69 AromaticContact CD2-CD2 3.49Å; Y53-F69 HydrophobicContact CD2-CD2 3.49Å; Y53-F69 VanDerWaalsContact CD2-CD2 3.49Å; Y53-F69 AromaticContact CD2-CE2 3.51Å; Y53-F69 HydrophobicContact CD2-CE2 3.51Å; Y53-F69 HydrophobicContact CD2-CG 4.39Å; Y53-F69 HydrophobicContact CD2-CZ 4.4Å; Y53-F69 HydrophobicContact CE2-CD2 4.28Å; Y53-F69 HydrophobicContact CE2-CE2 4.38Å; Y53-F69 HydrophobicContact CG-CD2 4.18Å; Y53-F69 HydrophobicContact CG-CE2 4.32Å; A56-F69 HydrophobicContact CB-CZ 4.26Å; P64-F69 HydrophobicContact CB-CD2 4.32Å; P64-F69 HydrophobicContact CB-CE2 3.74Å; P64-F69 HydrophobicContact CB-CZ 4.44Å; P64-F69 HydrophobicContact CG-CE2 4.1Å; P64-F69 HydrophobicContact CG-CZ 4.38Å; E65-F69 PolarHBondContact O-N 3.39Å; V66-F69 PolarHBondContact O-N 3.14Å; F69-L72 HydrophobicContact CD1-CD1 4.46Å; F69-T73 WeakPolarHBondContact O-CG2 3.38Å
70V93.3Very high93.6Very high14 Ų1472.7 Ų72.79%0.08538%0.382CS..Hα-helixtrans-68.9-47.1173.1164.50000110.5V66 G67 E68 L72 T73 D75 Y77 K79 V82V66-V70 WeakPolarHBondContact O-CG2 3.47Å; V66-V70 PolarHBondContact O-N 3.32Å; V66-V70 VanDerWaalsContact O-N 3.1Å; G67-V70 PolarHBondContact O-N 2.89Å; E68-V70 VanDerWaalsContact C-N 3.28Å; E68-V70 PolarHBondContact O-N 3.29Å; V70-L72 VanDerWaalsContact C-N 3.3Å; V70-L72 PolarHBondContact O-N 3.35Å; V70-T73 PolarHBondContact O-N 3.19Å; V70-T73 PolarHBondContact O-OG1 3.08Å; V70-D75 WeakPolarHBondContact CG1-OD1 3.35Å; V70-D75 PolarHBondContact O-N 3.48Å; V70-Y77 VanDerWaalsContact CG1-O 3.28Å; V70-Y77 WeakPolarHBondContact CG1-O 3.44Å; V70-K79 HydrophobicContact CG2-CB 4.23Å; V70-V82 HydrophobicContact CG2-CG2 3.98Å
71F91.9Very high93.7Very high146 Ų14673.7 Ų73.764%0.6439%0.386SS*.Hα-helixtrans-56.8-41.8178.9177-102.6000112.3G67 E68 T73 D74G67-F71 PolarHBondContact O-N 3.4Å; E68-F71 WeakPolarHBondContact O-CB 3.29Å; E68-F71 PolarHBondContact O-N 3.03Å; F71-T73 PolarHBondContact O-N 3.29Å; F71-T73 VanDerWaalsContact O-N 3.16Å; F71-D74 PolarHBondContact O-N 2.89Å
72L90.1Very high93.7Very high37 Ų3767 Ų6719%0.19435%0.352CS..THydrogen-bonded Turntrans-63.6-21.6177.7-69.1164.3000114.8W8 V12 Y16 E68 F69 V70 D74W8-L72 HydrophobicContact CZ2-CB 4.16Å; V12-L72 HydrophobicContact CB-CD1 4.45Å; V12-L72 HydrophobicContact CG1-CD1 3.64Å; V12-L72 HydrophobicContact CG2-CD1 4.06Å; V12-L72 HydrophobicContact CG2-CD2 4.45Å; Y16-L72 HydrophobicContact CD2-CD1 3.9Å; Y16-L72 HydrophobicContact CE2-CD1 3.16Å; Y16-L72 HydrophobicContact CE2-CD2 3.6Å; Y16-L72 HydrophobicContact CE2-CG 3.67Å; E68-L72 WeakPolarHBondContact O-CG 3.32Å; E68-L72 PolarHBondContact O-N 2.74Å; F69-L72 HydrophobicContact CD1-CD1 4.46Å; V70-L72 VanDerWaalsContact C-N 3.3Å; V70-L72 PolarHBondContact O-N 3.35Å; L72-D74 PolarHBondContact O-N 3.22Å
73T88.3Confident93.8Very high2 Ų259.7 Ų59.71%0.01233%0.327CS..THydrogen-bonded Turntrans-87.412175.666.80000112.4W8 Q45 T49 F69 V70 F71 D75 S76 Y77W8-T73 HydrophobicContact CH2-CG2 4.13Å; W8-T73 HydrophobicContact CZ2-CG2 4.3Å; Q45-T73 HydrophobicContact CG-CG2 4.44Å; T49-T73 HydrophobicContact CG2-CG2 4.12Å; T49-T73 WeakPolarHBondContact OG1-CG2 3.46Å; F69-T73 WeakPolarHBondContact O-CG2 3.38Å; V70-T73 PolarHBondContact O-N 3.19Å; V70-T73 PolarHBondContact O-OG1 3.08Å; F71-T73 PolarHBondContact O-N 3.29Å; F71-T73 VanDerWaalsContact O-N 3.16Å; T73-D75 PolarHBondContact O-N 2.97Å; T73-S76 WeakPolarHBondContact O-CB 3.34Å; T73-S76 PolarHBondContact O-N 2.94Å; T73-S76 PolarHBondContact O-OG 3.31Å; T73-Y77 HydrophobicContact CG2-CD2 3.95Å; T73-Y77 HydrophobicContact CG2-CE2 4.34Å
74D89.1Confident93.9Very high142 Ų14265 Ų6576%0.75934%0.34SS*.THydrogen-bonded Turntrans52.343.4-173.9-165.331.7000111.1F71 L72 S76F71-D74 PolarHBondContact O-N 2.89Å; L72-D74 PolarHBondContact O-N 3.22Å; D74-S76 PolarHBondContact O-N 3.36Å
75D85.9Confident94.1Very high116 Ų11665.9 Ų65.962%0.6234%0.343SS*.THydrogen-bonded Turntrans53.219.5-174.9-67.4-54000115.1V70 T73 Y77V70-D75 WeakPolarHBondContact CG1-OD1 3.35Å; V70-D75 PolarHBondContact O-N 3.48Å; T73-D75 PolarHBondContact O-N 2.97Å; D75-Y77 PolarHBondContact O-N 3.33Å; D75-Y77 VanDerWaalsContact O-N 3.1Å
76S91.1Very high94.2Very high74 Ų7459.9 Ų59.952%0.51732%0.315SS..SBendtrans-59.7-23.8176.3-66.80000112.5T73 D74T73-S76 WeakPolarHBondContact O-CB 3.34Å; T73-S76 PolarHBondContact O-N 2.94Å; T73-S76 PolarHBondContact O-OG 3.31Å; D74-S76 PolarHBondContact O-N 3.36Å
77Y94.9Very high94.3Very high17 Ų1765.7 Ų65.77%0.06734%0.341CS..SBendtrans-131.6141.5176.1-49.8-73.8000111.9S42 K43 Q45 L46 V70 T73 D75S42-Y77 PolarHBondContact O-OH 3.1Å; K43-Y77 HydrophobicContact CD-CE1 4.42Å; Q45-Y77 HydrophobicContact CB-CE2 4.07Å; Q45-Y77 HydrophobicContact CG-CE2 4.21Å; L46-Y77 HydrophobicContact CB-CD1 3.91Å; L46-Y77 HydrophobicContact CB-CD2 4.17Å; L46-Y77 HydrophobicContact CB-CE1 3.68Å; L46-Y77 HydrophobicContact CB-CE2 3.96Å; L46-Y77 HydrophobicContact CB-CG 4.14Å; L46-Y77 HydrophobicContact CD1-CD1 4.12Å; L46-Y77 HydrophobicContact CD1-CD2 4.3Å; L46-Y77 HydrophobicContact CD1-CG 3.87Å; L46-Y77 HydrophobicContact CD2-CD1 4.08Å; L46-Y77 HydrophobicContact CD2-CE1 4.32Å; L46-Y77 HydrophobicContact CG-CD1 4.26Å; L46-Y77 HydrophobicContact CG-CE1 4.46Å; L46-Y77 HydrophobicContact CG-CG 4.44Å; V70-Y77 VanDerWaalsContact CG1-O 3.28Å; V70-Y77 WeakPolarHBondContact CG1-O 3.44Å; T73-Y77 HydrophobicContact CG2-CD2 3.95Å; T73-Y77 HydrophobicContact CG2-CE2 4.34Å; D75-Y77 PolarHBondContact O-N 3.33Å; D75-Y77 VanDerWaalsContact O-N 3.1Å
78T96.5Very high94.6Very high77 Ų7766.5 Ų66.547%0.47234%0.339SS..  trans-76.6153.6173.862.90000111.6A80 Q81 V82T78-A80 PolarHBondContact O-N 3.34Å; T78-A80 VanDerWaalsContact O-N 3.13Å; T78-Q81 WeakPolarHBondContact O-CA 3.33Å; T78-Q81 WeakPolarHBondContact O-CB 3.32Å; T78-Q81 PolarHBondContact O-N 3.33Å; T78-Q81 VanDerWaalsContact OG1-CG 3.3Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.5Å; T78-Q81 PolarHBondContact OG1-N 3.47Å; T78-Q81 PolarHBondContact OG1-OE1 3.09Å; T78-Q81 VanDerWaalsContact OG1-OE1 3.05Å; T78-V82 PolarHBondContact O-N 2.92Å; T78-V82 VanDerWaalsContact O-N 3.13Å
79K96.8Very high94.8Very high114 Ų11462.8 Ų62.850%0.49632%0.321SS..Hα-helixtrans-47.8-41.9170.7175.1169.2174.7161.80112.9V66 V70 Q81 V82 L83V66-K79 HydrophobicContact CG1-CD 3.66Å; V66-K79 HydrophobicContact CG1-CG 3.77Å; V66-K79 HydrophobicContact CG2-CG 4.21Å; V70-K79 HydrophobicContact CG2-CB 4.23Å; K79-Q81 VanDerWaalsContact C-N 3.31Å; K79-Q81 PolarHBondContact O-N 3.21Å; K79-V82 PolarHBondContact O-N 3.14Å; K79-L83 HydrophobicContact CG-CD1 3.96Å; K79-L83 HydrophobicContact CG-CG 4.42Å; K79-L83 WeakPolarHBondContact O-CG 3.49Å; K79-L83 PolarHBondContact O-N 3.16Å
80A97.4Very high95.1Very high58 Ų5863.6 Ų63.648%0.47933%0.326SS..Hα-helixtrans-64.6-33.6178.400000113T78 R84T78-A80 PolarHBondContact O-N 3.34Å; T78-A80 VanDerWaalsContact O-N 3.13Å; A80-R84 VanDerWaalsContact O-CB 3.25Å; A80-R84 WeakPolarHBondContact O-CB 3.49Å; A80-R84 PolarHBondContact O-N 3.02Å
81Q97.4Very high95.3Very high63 Ų6370.7 Ų70.729%0.29436%0.355SS..Hα-helixtrans-71.4-41.8175.9-74.3166.4-43.800111.7L46 T78 K79 R84 M85L46-Q81 HydrophobicContact CD1-CB 4.37Å; L46-Q81 HydrophobicContact CD2-CB 4.36Å; T78-Q81 WeakPolarHBondContact O-CA 3.33Å; T78-Q81 WeakPolarHBondContact O-CB 3.32Å; T78-Q81 PolarHBondContact O-N 3.33Å; T78-Q81 VanDerWaalsContact OG1-CG 3.3Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.5Å; T78-Q81 PolarHBondContact OG1-N 3.47Å; T78-Q81 PolarHBondContact OG1-OE1 3.09Å; T78-Q81 VanDerWaalsContact OG1-OE1 3.05Å; K79-Q81 VanDerWaalsContact C-N 3.31Å; K79-Q81 PolarHBondContact O-N 3.21Å; Q81-R84 PolarHBondContact O-N 3.46Å; Q81-M85 WeakPolarHBondContact O-CB 3.36Å; Q81-M85 PolarHBondContact O-N 3.33Å
82V97.6Very high95.6Very high0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-62.2-49.7176.7179.80000110.4L46 T49 V66 V70 T78 K79 R84 M85 E86L46-V82 HydrophobicContact CD1-CB 4.48Å; L46-V82 HydrophobicContact CD1-CG2 3.92Å; T49-V82 HydrophobicContact CG2-CG1 4.4Å; T49-V82 HydrophobicContact CG2-CG2 4.43Å; V66-V82 HydrophobicContact CG2-CB 4.1Å; V66-V82 HydrophobicContact CG2-CG1 3.86Å; V70-V82 HydrophobicContact CG2-CG2 3.98Å; T78-V82 PolarHBondContact O-N 2.92Å; T78-V82 VanDerWaalsContact O-N 3.13Å; K79-V82 PolarHBondContact O-N 3.14Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 3.48Å; V82-M85 PolarHBondContact O-N 2.83Å; V82-M85 VanDerWaalsContact O-N 3.14Å; V82-E86 PolarHBondContact O-N 3.36Å
83L98.1Very high95.9Very high53 Ų5364.1 Ų64.128%0.27733%0.327SS..Hα-helixtrans-62.5-36.6177.9-67.3175.4000112.8Y53 V66 K79 E86 Q87Y53-L83 HydrophobicContact CE1-CD2 4.1Å; V66-L83 HydrophobicContact CG2-CD2 4.12Å; V66-L83 HydrophobicContact CG2-CG 4.26Å; K79-L83 HydrophobicContact CG-CD1 3.96Å; K79-L83 HydrophobicContact CG-CG 4.42Å; K79-L83 WeakPolarHBondContact O-CG 3.49Å; K79-L83 PolarHBondContact O-N 3.16Å; L83-E86 WeakPolarHBondContact O-CB 3.44Å; L83-Q87 WeakPolarHBondContact O-CG 3.41Å; L83-Q87 PolarHBondContact O-N 3.4Å
84R98.2Very high96.3Very high165 Ų16568.7 Ų68.762%0.62336%0.358SS*.Hα-helixtrans-67.6-41.9174.5-176.5175.9-68.6145.50.6111.5A80 Q81 V82 E86 Q87 V88A80-R84 VanDerWaalsContact O-CB 3.25Å; A80-R84 WeakPolarHBondContact O-CB 3.49Å; A80-R84 PolarHBondContact O-N 3.02Å; Q81-R84 PolarHBondContact O-N 3.46Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 3.48Å; R84-E86 VanDerWaalsContact C-N 3.33Å; R84-Q87 PolarHBondContact O-N 2.96Å; R84-V88 WeakPolarHBondContact O-CG2 3.37Å; R84-V88 PolarHBondContact O-N 3.01Å; R84-V88 VanDerWaalsContact O-N 3.13Å
85M98.2Very high96.6Very high31 Ų3168.8 Ų68.815%0.15335%0.353CS..Hα-helixtrans-64.7-40.7177.9-176.357.773.400111.1F33 L46 V47 A50 Q81 V82 Q87 V88 I89F33-M85 HydrophobicContact CZ-SD 4.24Å; L46-M85 HydrophobicContact CD1-CB 4.22Å; L46-M85 HydrophobicContact CD2-CB 4.34Å; L46-M85 HydrophobicContact CD2-CE 3.88Å; L46-M85 HydrophobicContact CG-CB 4Å; L46-M85 HydrophobicContact CG-CE 4.09Å; L46-M85 HydrophobicContact CG-CG 4.13Å; V47-M85 HydrophobicContact CG2-CE 3.78Å; V47-M85 HydrophobicContact CG2-CG 4.43Å; V47-M85 HydrophobicContact CG2-SD 3.87Å; A50-M85 HydrophobicContact CB-CB 3.79Å; A50-M85 HydrophobicContact CB-CG 3.55Å; Q81-M85 WeakPolarHBondContact O-CB 3.36Å; Q81-M85 PolarHBondContact O-N 3.33Å; V82-M85 PolarHBondContact O-N 2.83Å; V82-M85 VanDerWaalsContact O-N 3.14Å; M85-Q87 VanDerWaalsContact C-N 3.34Å; M85-Q87 PolarHBondContact O-N 2.98Å; M85-V88 WeakPolarHBondContact O-CB 3.45Å; M85-V88 PolarHBondContact O-N 3.15Å; M85-V88 VanDerWaalsContact O-N 3.12Å; M85-V88 HydrophobicContact SD-CB 4.46Å; M85-I89 HydrophobicContact CG-CD1 3.99Å; M85-I89 HydrophobicContact CG-CG1 4.3Å; M85-I89 WeakPolarHBondContact O-CG1 3.33Å; M85-I89 PolarHBondContact O-N 3.16Å; M85-I89 HydrophobicContact SD-CD1 4.48Å; M85-I89 HydrophobicContact SD-CG1 4.26Å
86E98.3Very high97.1Very high19 Ų1967 Ų679%0.08934%0.343CS..Hα-helixtrans-52.1-52.2172160.4178-92.900111.7Y53 I54 K57 V82 L83 R84 V88 I89 L90Y53-E86 WeakPolarHBondContact CD1-OE1 3.39Å; Y53-E86 WeakPolarHBondContact CE1-OE1 3.41Å; I54-E86 HydrophobicContact CD1-CB 4.4Å; I54-E86 HydrophobicContact CD1-CG 4.19Å; I54-E86 HydrophobicContact CG1-CB 4.4Å; I54-E86 HydrophobicContact CG1-CG 3.94Å; K57-E86 WeakPolarHBondContact CE-OE1 3.37Å; K57-E86 VanDerWaalsContact NZ-CD 3.26Å; K57-E86 IonicContact NZ-OE1 3.11Å; K57-E86 PolarHBondContact NZ-OE1 3.44Å; K57-E86 IonicContact NZ-OE2 2.81Å; K57-E86 PolarHBondContact NZ-OE2 2.81Å; V82-E86 PolarHBondContact O-N 3.36Å; L83-E86 WeakPolarHBondContact O-CB 3.44Å; R84-E86 VanDerWaalsContact C-N 3.33Å; E86-V88 PolarHBondContact O-N 2.96Å; E86-I89 PolarHBondContact O-N 3.15Å; E86-L90 HydrophobicContact CG-CD1 3.76Å; E86-L90 HydrophobicContact CG-CG 4.38Å; E86-L90 WeakPolarHBondContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CG 3.47Å; E86-L90 PolarHBondContact O-N 3.19Å
87Q98.3Very high97.3Very high130 Ų13064.5 Ų64.561%0.60732%0.324SS*.Hα-helixtrans-59.3-37.7179.8-70.3172.4-6.500112L83 R84 M85 K91L83-Q87 WeakPolarHBondContact O-CG 3.41Å; L83-Q87 PolarHBondContact O-N 3.4Å; R84-Q87 PolarHBondContact O-N 2.96Å; M85-Q87 VanDerWaalsContact C-N 3.34Å; M85-Q87 PolarHBondContact O-N 2.98Å; Q87-K91 VanDerWaalsContact O-CB 3.29Å; Q87-K91 WeakPolarHBondContact O-CB 3.4Å; Q87-K91 PolarHBondContact O-N 3.01Å
88V98.3Very high97.1Very high57 Ų5768.3 Ų68.335%0.34535%0.352SS..Hα-helixtrans-67.7-46.3177.6172.30000110.8F33 R84 M85 E86 K91 I92F33-V88 HydrophobicContact CE2-CG1 3.9Å; F33-V88 HydrophobicContact CZ-CG1 4.06Å; R84-V88 WeakPolarHBondContact O-CG2 3.37Å; R84-V88 PolarHBondContact O-N 3.01Å; R84-V88 VanDerWaalsContact O-N 3.13Å; M85-V88 WeakPolarHBondContact O-CB 3.45Å; M85-V88 PolarHBondContact O-N 3.15Å; M85-V88 VanDerWaalsContact O-N 3.12Å; M85-V88 HydrophobicContact SD-CB 4.46Å; E86-V88 PolarHBondContact O-N 2.96Å; V88-K91 PolarHBondContact O-N 3Å; V88-I92 WeakPolarHBondContact O-CG1 3.1Å; V88-I92 PolarHBondContact O-N 3.25Å
89I98.3Very high96.6Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-60.1-51.8177-67.4172.5000109.9F33 V47 A50 A51 I54 M85 E86 K91 I92 L93F33-I89 HydrophobicContact CD2-CB 4.25Å; F33-I89 HydrophobicContact CD2-CG1 3.76Å; F33-I89 HydrophobicContact CD2-CG2 4.49Å; F33-I89 HydrophobicContact CE2-CG1 3.89Å; F33-I89 HydrophobicContact CG-CG1 4.14Å; F33-I89 HydrophobicContact CZ-CG1 4.38Å; V47-I89 HydrophobicContact CG1-CD1 4.11Å; A50-I89 HydrophobicContact CB-CD1 3.74Å; A51-I89 HydrophobicContact CB-CD1 4.32Å; I54-I89 HydrophobicContact CD1-CB 3.78Å; I54-I89 HydrophobicContact CD1-CD1 4.36Å; I54-I89 HydrophobicContact CD1-CG2 3.6Å; M85-I89 HydrophobicContact CG-CD1 3.99Å; M85-I89 HydrophobicContact CG-CG1 4.3Å; M85-I89 WeakPolarHBondContact O-CG1 3.33Å; M85-I89 PolarHBondContact O-N 3.16Å; M85-I89 HydrophobicContact SD-CD1 4.48Å; M85-I89 HydrophobicContact SD-CG1 4.26Å; E86-I89 PolarHBondContact O-N 3.15Å; I89-K91 VanDerWaalsContact C-N 3.25Å; I89-K91 PolarHBondContact O-N 2.89Å; I89-I92 PolarHBondContact O-N 3.12Å; I89-I92 VanDerWaalsContact O-N 3.11Å; I89-L93 HydrophobicContact CG2-CD1 3.73Å; I89-L93 HydrophobicContact CG2-CG 4.12Å; I89-L93 WeakPolarHBondContact O-CB 3.47Å; I89-L93 WeakPolarHBondContact O-CG 3.5Å; I89-L93 PolarHBondContact O-N 3.01Å
90L98.3Very high96.4Very high20 Ų2064 Ų6411%0.10534%0.336CS..Hα-helixtrans-57.3-39.4179.7-70.5172.2000112.3I54 E86 S94 F95 L97I54-L90 HydrophobicContact CD1-CD2 4.15Å; I54-L90 HydrophobicContact CD1-CG 3.97Å; I54-L90 HydrophobicContact CG1-CD2 4.36Å; I54-L90 HydrophobicContact CG1-CG 4.37Å; I54-L90 HydrophobicContact CG2-CD2 3.97Å; E86-L90 HydrophobicContact CG-CD1 3.76Å; E86-L90 HydrophobicContact CG-CG 4.38Å; E86-L90 WeakPolarHBondContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CG 3.47Å; E86-L90 PolarHBondContact O-N 3.19Å; L90-S94 PolarHBondContact O-N 3.21Å; L90-F95 HydrophobicContact CB-CD1 4.35Å; L90-F95 HydrophobicContact CB-CD2 4.42Å; L90-F95 HydrophobicContact CB-CE1 3.97Å; L90-F95 HydrophobicContact CB-CE2 4.04Å; L90-F95 HydrophobicContact CB-CZ 3.81Å; L90-F95 HydrophobicContact CD1-CE1 3.87Å; L90-F95 HydrophobicContact CD1-CZ 4.19Å; L90-F95 HydrophobicContact CD2-CD1 4.13Å; L90-F95 HydrophobicContact CD2-CE1 4.2Å; L90-F95 HydrophobicContact CG-CE1 4.24Å; L90-F95 PolarHBondContact O-N 3.5Å; L90-L97 HydrophobicContact CD2-CD1 3.88Å; L90-L97 HydrophobicContact CD2-CD2 4.06Å; L90-L97 HydrophobicContact CD2-CG 4.39Å
91K97.9Very high96.3Very high164 Ų16461.6 Ų61.671%0.71332%0.315SS*.Hα-helixtrans-66.4-45.1176.3-174.3178.9-179.5-1790112.3Q87 V88 I89 L93 S94Q87-K91 VanDerWaalsContact O-CB 3.29Å; Q87-K91 WeakPolarHBondContact O-CB 3.4Å; Q87-K91 PolarHBondContact O-N 3.01Å; V88-K91 PolarHBondContact O-N 3Å; I89-K91 VanDerWaalsContact C-N 3.25Å; I89-K91 PolarHBondContact O-N 2.89Å; K91-L93 VanDerWaalsContact C-N 3.34Å; K91-S94 PolarHBondContact O-N 3.07Å; K91-S94 VanDerWaalsContact O-N 3.14Å
92I97.8Very high96.2Very high43 Ų4359 Ų5922%0.22130%0.304CS..Hα-helixtrans-66.9-38179.1-68.6-61.5000111.3F33 Q36 M37 V88 I89 S94F33-I92 HydrophobicContact CD2-CB 3.98Å; F33-I92 HydrophobicContact CD2-CG1 4.24Å; F33-I92 HydrophobicContact CD2-CG2 3.95Å; F33-I92 HydrophobicContact CE2-CB 4.12Å; F33-I92 HydrophobicContact CE2-CG1 3.87Å; F33-I92 HydrophobicContact CE2-CG2 4.38Å; Q36-I92 HydrophobicContact CB-CG2 3.93Å; Q36-I92 HydrophobicContact CG-CG2 4.4Å; M37-I92 HydrophobicContact CG-CD1 4.13Å; M37-I92 HydrophobicContact CG-CG1 4.02Å; M37-I92 HydrophobicContact CG-CG2 4.3Å; M37-I92 HydrophobicContact SD-CD1 3.81Å; M37-I92 HydrophobicContact SD-CG1 4.26Å; V88-I92 WeakPolarHBondContact O-CG1 3.1Å; V88-I92 PolarHBondContact O-N 3.25Å; I89-I92 PolarHBondContact O-N 3.12Å; I89-I92 VanDerWaalsContact O-N 3.11Å; I92-S94 PolarHBondContact O-N 3.45Å
93L96.9Very high96.2Very high2 Ų260.8 Ų60.81%0.0131%0.312CS..THydrogen-bonded Turntrans-78.2-2.6174.7-59.1-173.6000112.8Y29 R32 I89 K91 F95 D96 L97Y29-L93 HydrophobicContact CD1-CD1 3.84Å; Y29-L93 HydrophobicContact CG-CD1 4.07Å; R32-L93 HydrophobicContact CB-CD2 3.47Å; R32-L93 VanDerWaalsContact CB-CD2 3.47Å; I89-L93 HydrophobicContact CG2-CD1 3.73Å; I89-L93 HydrophobicContact CG2-CG 4.12Å; I89-L93 WeakPolarHBondContact O-CB 3.47Å; I89-L93 WeakPolarHBondContact O-CG 3.5Å; I89-L93 PolarHBondContact O-N 3.01Å; K91-L93 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 2.98Å; L93-F95 VanDerWaalsContact O-N 3.15Å; L93-D96 VanDerWaalsContact O-CB 3.25Å; L93-D96 WeakPolarHBondContact O-CB 3.41Å; L93-D96 PolarHBondContact O-N 3.37Å; L93-L97 HydrophobicContact CD1-CD2 4.23Å
94S96.9Very high96.1Very high97 Ų9761.1 Ų61.168%0.67832%0.316SS*.THydrogen-bonded Turntrans52.233.4-176.1-56.10000113.4L90 K91 I92 D96L90-S94 PolarHBondContact O-N 3.21Å; K91-S94 PolarHBondContact O-N 3.07Å; K91-S94 VanDerWaalsContact O-N 3.14Å; I92-S94 PolarHBondContact O-N 3.45Å; S94-D96 PolarHBondContact O-N 3.3Å; S94-D96 VanDerWaalsContact O-N 3.11Å
95F96.5Very high96Very high145 Ų14556 Ų5664%0.63630%0.298SS*.THydrogen-bonded Turntrans56.517.5-173.5-68.8-101.7000114.9L90 L93 L97L90-F95 HydrophobicContact CB-CD1 4.35Å; L90-F95 HydrophobicContact CB-CD2 4.42Å; L90-F95 HydrophobicContact CB-CE1 3.97Å; L90-F95 HydrophobicContact CB-CE2 4.04Å; L90-F95 HydrophobicContact CB-CZ 3.81Å; L90-F95 HydrophobicContact CD1-CE1 3.87Å; L90-F95 HydrophobicContact CD1-CZ 4.19Å; L90-F95 HydrophobicContact CD2-CD1 4.13Å; L90-F95 HydrophobicContact CD2-CE1 4.2Å; L90-F95 HydrophobicContact CG-CE1 4.24Å; L90-F95 PolarHBondContact O-N 3.5Å; L93-F95 PolarHBondContact O-N 2.98Å; L93-F95 VanDerWaalsContact O-N 3.15Å; F95-L97 VanDerWaalsContact C-N 3.3Å; F95-L97 PolarHBondContact O-N 2.94Å
96D96.1Very high95.9Very high77 Ų7754.5 Ų54.541%0.41229%0.291SS..  trans-80.579.5174.4177.836.2000110.2R32 L93 S94R32-D96 IonicContact CZ-OD2 2.57Å; R32-D96 VanDerWaalsContact CZ-OD2 3.31Å; R32-D96 PolarHBondContact NH1-O 2.71Å; R32-D96 IonicContact NH1-OD2 3.42Å; R32-D96 PolarHBondContact NH1-OD2 2.94Å; R32-D96 IonicContact NH2-OD2 2.8Å; R32-D96 PolarHBondContact NH2-OD2 3.31Å; L93-D96 VanDerWaalsContact O-CB 3.25Å; L93-D96 WeakPolarHBondContact O-CB 3.41Å; L93-D96 PolarHBondContact O-N 3.37Å; S94-D96 PolarHBondContact O-N 3.3Å; S94-D96 VanDerWaalsContact O-N 3.11Å
97L94.3Very high95.8Very high23 Ų2355.2 Ų55.212%0.1230%0.295CS..  trans-96.2-22.4-176.4-59.2-175.4000112.9Y29 I54 Y58 L90 L93 F95 T99Y29-L97 HydrophobicContact CD1-CD2 4.18Å; Y29-L97 HydrophobicContact CE1-CB 4.19Å; Y29-L97 HydrophobicContact CE1-CD2 3.76Å; Y29-L97 HydrophobicContact CE2-CD2 4.31Å; Y29-L97 WeakPolarHBondContact OH-CB 3.3Å; Y29-L97 PolarHBondContact OH-O 3.42Å; Y29-L97 VanDerWaalsContact OH-O 3.07Å; I54-L97 HydrophobicContact CG2-CD1 3.91Å; I54-L97 HydrophobicContact CG2-CD2 4.03Å; Y58-L97 HydrophobicContact CD2-CB 4.12Å; Y58-L97 HydrophobicContact CD2-CD1 4.24Å; Y58-L97 HydrophobicContact CE2-CB 4.12Å; L90-L97 HydrophobicContact CD2-CD1 3.88Å; L90-L97 HydrophobicContact CD2-CD2 4.06Å; L90-L97 HydrophobicContact CD2-CG 4.39Å; L93-L97 HydrophobicContact CD1-CD2 4.23Å; F95-L97 VanDerWaalsContact C-N 3.3Å; F95-L97 PolarHBondContact O-N 2.94Å; L97-T99 PolarHBondContact O-N 2.91Å
98C90.7Very high95.7Very high97 Ų9752 Ų5266%0.65528%0.284SS*.  trans-80.188.6-176-171.20000110.5
99T87.4Confident95.5Very high27 Ų2749.7 Ų49.717%0.16627%0.27CS..  trans-116.7142.6174.5-172.70000110.9L25 F28 L97L25-T99 HydrophobicContact CD2-CG2 3.73Å; F28-T99 HydrophobicContact CB-CG2 4.5Å; F28-T99 HydrophobicContact CD1-CG2 3.26Å; F28-T99 HydrophobicContact CD2-CG2 4.09Å; F28-T99 VanDerWaalsContact CE1-CB 3.43Å; F28-T99 HydrophobicContact CE1-CG2 3.15Å; F28-T99 HydrophobicContact CE2-CG2 4.01Å; F28-T99 HydrophobicContact CG-CG2 3.71Å; F28-T99 VanDerWaalsContact CZ-CB 3.4Å; F28-T99 HydrophobicContact CZ-CG2 3.53Å; F28-T99 WeakPolarHBondContact CZ-OG1 3.37Å; L97-T99 PolarHBondContact O-N 2.91Å
100P92.1Very high95.3Very high73 Ų7350.2 Ų50.247%0.47427%0.274SS..  trans-71.5132.7166.629.8-33.4000109.9F105 P142P100-F105 HydrophobicContact CB-CE2 3.85Å; P100-F105 HydrophobicContact CB-CZ 4.3Å; P100-F105 HydrophobicContact CG-CE2 4.49Å; P100-P142 WeakPolarHBondContact O-CG 3.44Å
101T95.3Very high95.2Very high7 Ų755.1 Ų55.14%0.04330%0.304CS..  trans-103.1165.7174.568.90000110.7E21 L25 Y103 V104 F105E21-T101 VanDerWaalsContact CD-OG1 3.24Å; E21-T101 WeakPolarHBondContact OE1-CG2 3.28Å; E21-T101 PolarHBondContact OE1-OG1 3.26Å; E21-T101 VanDerWaalsContact OE1-OG1 3.1Å; E21-T101 WeakPolarHBondContact OE2-CB 3.43Å; E21-T101 PolarHBondContact OE2-OG1 2.93Å; L25-T101 HydrophobicContact CD2-CG2 3.84Å; L25-T101 HydrophobicContact CG-CG2 4.24Å; T101-Y103 PolarHBondContact O-N 2.81Å; T101-Y103 PolarHBondContact OG1-N 2.86Å; T101-V104 PolarHBondContact O-N 3.49Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.4Å; T101-V104 PolarHBondContact OG1-N 3.31Å; T101-F105 VanDerWaalsContact O-CD2 3.26Å; T101-F105 WeakPolarHBondContact O-CD2 3.23Å; T101-F105 PolarHBondContact O-N 2.95Å
102A95.6Very high95.1Very high8 Ų851.2 Ų51.27%0.06629%0.291CS..Hα-helixtrans-63.5-31.8173.900000111.1Y24 F105 I106 P142 M145Y24-A102 HydrophobicContact CE1-CB 3.94Å; A102-F105 PolarHBondContact O-N 3.39Å; A102-I106 WeakPolarHBondContact O-CD1 3.33Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.13Å; A102-P142 HydrophobicContact CB-CB 4.5Å; A102-M145 HydrophobicContact CB-CB 4.41Å
103Y96.2Very high94.8Very high39 Ų3951 Ų5115%0.15329%0.293CS..Hα-helixtrans-59.5-46.8175.8175.6-99.5000112.4D19 T20 E21 T101 F105 I106 N107 L124D19-Y103 WeakPolarHBondContact OD1-CE1 3.31Å; D19-Y103 PolarHBondContact OD1-OH 3.1Å; T20-Y103 HydrophobicContact CG2-CD2 3.59Å; T20-Y103 HydrophobicContact CG2-CE2 3.8Å; T20-Y103 HydrophobicContact CG2-CG 4.34Å; E21-Y103 HydrophobicContact CB-CD1 3.68Å; E21-Y103 HydrophobicContact CB-CE1 3.73Å; E21-Y103 HydrophobicContact CG-CD1 4.35Å; E21-Y103 WeakPolarHBondContact OE2-CB 3.45Å; E21-Y103 WeakPolarHBondContact OE2-CD1 3.33Å; T101-Y103 PolarHBondContact O-N 2.81Å; T101-Y103 PolarHBondContact OG1-N 2.86Å; Y103-F105 VanDerWaalsContact C-N 3.33Å; Y103-F105 PolarHBondContact O-N 3.29Å; Y103-I106 PolarHBondContact O-N 3.05Å; Y103-N107 WeakPolarHBondContact CD1-ND2 3.33Å; Y103-N107 WeakPolarHBondContact CE1-ND2 3.46Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.43Å; Y103-N107 PolarHBondContact O-N 3.49Å; Y103-N107 PolarHBondContact O-ND2 3.39Å; Y103-N107 VanDerWaalsContact O-ND2 3.08Å; Y103-L124 HydrophobicContact CD2-CD2 3.56Å; Y103-L124 HydrophobicContact CE2-CD2 4.01Å
104V95.8Very high94.6Very high60 Ų6057.9 Ų57.936%0.36433%0.33SS..Hα-helixtrans-59.5-43.7177.1173.60000111.5E21 T101 N107 T108E21-V104 WeakPolarHBondContact OE1-CG2 3.27Å; T101-V104 PolarHBondContact O-N 3.49Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.4Å; T101-V104 PolarHBondContact OG1-N 3.31Å; V104-N107 PolarHBondContact O-N 2.83Å; V104-T108 WeakPolarHBondContact O-CB 3.46Å; V104-T108 PolarHBondContact O-N 2.86Å; V104-T108 PolarHBondContact O-OG1 3.49Å
105F96.8Very high94.5Very high56 Ų5654 Ų5425%0.24630%0.301CS..Hα-helixtrans-63.9-44.5176.2-77.4-70.9000112.1P100 T101 A102 Y103 N107 T108 Y109 P142 S146P100-F105 HydrophobicContact CB-CE2 3.85Å; P100-F105 HydrophobicContact CB-CZ 4.3Å; P100-F105 HydrophobicContact CG-CE2 4.49Å; T101-F105 VanDerWaalsContact O-CD2 3.26Å; T101-F105 WeakPolarHBondContact O-CD2 3.23Å; T101-F105 PolarHBondContact O-N 2.95Å; A102-F105 PolarHBondContact O-N 3.39Å; Y103-F105 VanDerWaalsContact C-N 3.33Å; Y103-F105 PolarHBondContact O-N 3.29Å; F105-N107 VanDerWaalsContact C-N 3.35Å; F105-N107 PolarHBondContact O-N 3.34Å; F105-T108 WeakPolarHBondContact O-CB 3.36Å; F105-T108 PolarHBondContact O-N 3.25Å; F105-Y109 HydrophobicContact CB-CE1 4.46Å; F105-Y109 HydrophobicContact CB-CE2 4.03Å; F105-Y109 HydrophobicContact CD1-CE1 4.21Å; F105-Y109 AromaticContact CD1-CZ 3.98Å; F105-Y109 WeakPolarHBondContact CD1-OH 3.5Å; F105-Y109 WeakPolarHBondContact O-CD1 3.32Å; F105-Y109 WeakPolarHBondContact O-CD2 3.34Å; F105-Y109 PolarHBondContact O-N 3.08Å; F105-P142 HydrophobicContact CD2-CB 4.18Å; F105-P142 HydrophobicContact CE2-CB 4.15Å; F105-S146 WeakPolarHBondContact CB-OG 3.35Å
106I96.5Very high94.4Very high0 Ų050.6 Ų50.60%029%0.293CS..Hα-helixtrans-59.8-45.5178.6-68.5161.8000110.9A102 Y103 T108 Y109 A110 T123 L124A102-I106 WeakPolarHBondContact O-CD1 3.33Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.13Å; Y103-I106 PolarHBondContact O-N 3.05Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.58Å; I106-Y109 PolarHBondContact O-N 3.11Å; I106-A110 WeakPolarHBondContact O-CB 3.21Å; I106-A110 PolarHBondContact O-N 3.39Å; I106-T123 HydrophobicContact CB-CG2 4.44Å; I106-T123 HydrophobicContact CD1-CG2 3.85Å; I106-T123 HydrophobicContact CG1-CG2 3.78Å; I106-T123 HydrophobicContact CG2-CG2 3.77Å; I106-L124 HydrophobicContact CB-CD2 4.18Å; I106-L124 HydrophobicContact CD1-CD2 4.01Å; I106-L124 HydrophobicContact CG2-CD2 3.73Å; I106-L124 HydrophobicContact CG2-CG 4.07Å
107N95.8Very high94.3Very high34 Ų3452.1 Ų52.118%0.18230%0.302CS..Hα-helixtrans-64.2-38.9176.8-78-56.8000112.1Y103 V104 F105 A110 V111 K120Y103-N107 WeakPolarHBondContact CD1-ND2 3.33Å; Y103-N107 WeakPolarHBondContact CE1-ND2 3.46Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.43Å; Y103-N107 PolarHBondContact O-N 3.49Å; Y103-N107 PolarHBondContact O-ND2 3.39Å; Y103-N107 VanDerWaalsContact O-ND2 3.08Å; V104-N107 PolarHBondContact O-N 2.83Å; F105-N107 VanDerWaalsContact C-N 3.35Å; F105-N107 PolarHBondContact O-N 3.34Å; N107-A110 WeakPolarHBondContact O-CB 3.36Å; N107-A110 PolarHBondContact O-N 3.5Å; N107-V111 PolarHBondContact O-N 2.61Å; N107-K120 WeakPolarHBondContact OD1-CE 3.46Å; N107-K120 PolarHBondContact OD1-NZ 2.89Å
108T95.7Very high94.3Very high62 Ų6258.3 Ų58.338%0.3833%0.327SS..Hα-helixtrans-61.8-47.2175.1-58.30000111V104 F105 I106 A110 V111 L112V104-T108 WeakPolarHBondContact O-CB 3.46Å; V104-T108 PolarHBondContact O-N 2.86Å; V104-T108 PolarHBondContact O-OG1 3.49Å; F105-T108 WeakPolarHBondContact O-CB 3.36Å; F105-T108 PolarHBondContact O-N 3.25Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.58Å; T108-A110 PolarHBondContact O-N 3.13Å; T108-V111 PolarHBondContact O-N 3.47Å; T108-L112 HydrophobicContact CG2-CD1 3.78Å; T108-L112 HydrophobicContact CG2-CG 4.33Å; T108-L112 WeakPolarHBondContact O-CB 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.39Å; T108-L112 PolarHBondContact O-N 3.02Å
109Y94.6Very high94.5Very high10 Ų1053.8 Ų53.84%0.03930%0.297CS..Hα-helixtrans-63-34.2176.2-55.6-21.2000111.6F105 I106 V111 L112 C113 S147 V150 I169 T170F105-Y109 HydrophobicContact CB-CE1 4.46Å; F105-Y109 HydrophobicContact CB-CE2 4.03Å; F105-Y109 HydrophobicContact CD1-CE1 4.21Å; F105-Y109 AromaticContact CD1-CZ 3.98Å; F105-Y109 WeakPolarHBondContact CD1-OH 3.5Å; F105-Y109 WeakPolarHBondContact O-CD1 3.32Å; F105-Y109 WeakPolarHBondContact O-CD2 3.34Å; F105-Y109 PolarHBondContact O-N 3.08Å; I106-Y109 PolarHBondContact O-N 3.11Å; Y109-V111 VanDerWaalsContact C-N 3.31Å; Y109-V111 PolarHBondContact O-N 2.91Å; Y109-L112 PolarHBondContact O-N 2.88Å; Y109-C113 VanDerWaalsContact O-CB 3.28Å; Y109-C113 WeakPolarHBondContact O-CB 3.4Å; Y109-C113 PolarHBondContact O-N 2.85Å; Y109-S147 PolarHBondContact OH-OG 2.76Å; Y109-V150 HydrophobicContact CD2-CG2 4.14Å; Y109-I169 HydrophobicContact CD1-CG2 4.42Å; Y109-T170 HydrophobicContact CD1-CG2 4.33Å; Y109-T170 HydrophobicContact CE1-CG2 3.74Å; Y109-T170 HydrophobicContact CE2-CG2 4.18Å
110A94.9Very high94.9Very high11 Ų1154.9 Ų54.99%0.09130%0.299CS..Hα-helixtrans-62.6-42.7-179.300000111.1I106 N107 T108 D114 M115 K120I106-A110 WeakPolarHBondContact O-CB 3.21Å; I106-A110 PolarHBondContact O-N 3.39Å; N107-A110 WeakPolarHBondContact O-CB 3.36Å; N107-A110 PolarHBondContact O-N 3.5Å; T108-A110 PolarHBondContact O-N 3.13Å; A110-D114 WeakPolarHBondContact O-CA 3.28Å; A110-D114 PolarHBondContact O-N 3.42Å; A110-M115 HydrophobicContact CB-CB 4.25Å; A110-M115 HydrophobicContact CB-CE 3.69Å; A110-M115 PolarHBondContact O-N 3.5Å; A110-K120 HydrophobicContact CB-CD 4.18Å; A110-K120 HydrophobicContact CB-CG 4.38Å
111V95.8Very high95Very high122 Ų12257.1 Ų57.174%0.73930%0.299SS*.Hα-helixtrans-71.7-47.4176.5177.80000111.4N107 T108 Y109 C113N107-V111 PolarHBondContact O-N 2.61Å; T108-V111 PolarHBondContact O-N 3.47Å; Y109-V111 VanDerWaalsContact C-N 3.31Å; Y109-V111 PolarHBondContact O-N 2.91Å; V111-C113 VanDerWaalsContact C-N 3.32Å; V111-C113 PolarHBondContact O-N 2.83Å
112L94.6Very high95Very high83 Ų8359 Ų5944%0.43531%0.308SS..Hα-helixtrans-70-26.5-173.8-68.9178.5000114.3T108 Y109 I169T108-L112 HydrophobicContact CG2-CD1 3.78Å; T108-L112 HydrophobicContact CG2-CG 4.33Å; T108-L112 WeakPolarHBondContact O-CB 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.39Å; T108-L112 PolarHBondContact O-N 3.02Å; Y109-L112 PolarHBondContact O-N 2.88Å; L112-I169 HydrophobicContact CB-CD1 3.9Å; L112-I169 HydrophobicContact CD1-CD1 4.42Å; L112-I169 HydrophobicContact CD1-CG2 3.76Å
113C92.8Very high95Very high38 Ų3858.6 Ų58.626%0.25730%0.304SS..THydrogen-bonded Turntrans-1127.6-177.2-63.90000113.4Y109 V111 M115 I169Y109-C113 VanDerWaalsContact O-CB 3.28Å; Y109-C113 WeakPolarHBondContact O-CB 3.4Å; Y109-C113 PolarHBondContact O-N 2.85Å; V111-C113 VanDerWaalsContact C-N 3.32Å; V111-C113 PolarHBondContact O-N 2.83Å; C113-M115 VanDerWaalsContact C-N 3.3Å; C113-M115 HydrophobicContact CB-CG 4.1Å; C113-M115 PolarHBondContact O-N 3.48Å; C113-I169 VanDerWaalsContact SG-CD1 3.59Å
114D93.1Very high94.9Very high147 Ų14757.1 Ų57.179%0.78630%0.299SS*.THydrogen-bonded Turntrans48.751.4-176.8-164.234.6000111.7A110 P116A110-D114 WeakPolarHBondContact O-CA 3.28Å; A110-D114 PolarHBondContact O-N 3.42Å; D114-P116 WeakPolarHBondContact O-CD 3.33Å
115M93.8Very high94.8Very high15 Ų1555.8 Ų55.87%0.07429%0.288CS..  trans-69.9128.5-174.9-67.6-157.3-74.500110.5A110 C113 L119 V150A110-M115 HydrophobicContact CB-CB 4.25Å; A110-M115 HydrophobicContact CB-CE 3.69Å; A110-M115 PolarHBondContact O-N 3.5Å; C113-M115 VanDerWaalsContact C-N 3.3Å; C113-M115 HydrophobicContact CB-CG 4.1Å; C113-M115 PolarHBondContact O-N 3.48Å; M115-L119 HydrophobicContact CB-CD2 4.16Å; M115-L119 HydrophobicContact CG-CD2 4.02Å; M115-L119 HydrophobicContact SD-CD2 3.75Å; M115-L119 HydrophobicContact SD-CG 4.08Å; M115-V150 HydrophobicContact CE-CG2 4.19Å; M115-V150 HydrophobicContact SD-CG1 4.1Å; M115-V150 HydrophobicContact SD-CG2 4.3Å
116P94.8Very high94.7Very high73 Ų7353.1 Ų53.147%0.47428%0.276SS..  trans-59.4146.7173.6-23.132.9000111.7D114 K118 L119 K120D114-P116 WeakPolarHBondContact O-CD 3.33Å; P116-K118 PolarHBondContact O-N 3.18Å; P116-K118 VanDerWaalsContact O-N 3.14Å; P116-L119 WeakPolarHBondContact O-CA 3.43Å; P116-L119 WeakPolarHBondContact O-CB 3.46Å; P116-L119 PolarHBondContact O-N 3.45Å; P116-K120 PolarHBondContact O-N 2.8Å
117D93.6Very high94.7Very high110 Ų11053.1 Ų53.159%0.58828%0.276SS*.Hα-helixtrans-52.2-42.4-178.8-69.1-25.6000112.8L119 K120 Y121D117-L119 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 3.47Å; D117-K120 WeakPolarHBondContact O-CB 3.15Å; D117-K120 PolarHBondContact O-N 3.18Å; D117-K120 VanDerWaalsContact O-N 3.1Å; D117-Y121 HydrophobicContact CB-CD2 4.19Å; D117-Y121 HydrophobicContact CB-CE2 3.96Å; D117-Y121 WeakPolarHBondContact O-CD2 3.49Å; D117-Y121 PolarHBondContact O-N 3.13Å
118K94.1Very high94.5Very high153 Ų15351.5 Ų51.567%0.66527%0.268SS*.Hα-helixtrans-58.4-38.5176.8-170.8176.1-175178.90112.7P116 M122 L157P116-K118 PolarHBondContact O-N 3.18Å; P116-K118 VanDerWaalsContact O-N 3.14Å; K118-M122 VanDerWaalsContact O-CB 3.31Å; K118-M122 WeakPolarHBondContact O-CB 3.15Å; K118-M122 PolarHBondContact O-N 3.44Å; K118-M122 VanDerWaalsContact O-N 3.17Å; K118-L157 HydrophobicContact CD-CD2 4.18Å; K118-L157 HydrophobicContact CG-CD1 4.37Å; K118-L157 HydrophobicContact CG-CD2 4.23Å
119L95.6Very high94.3Very high1 Ų149.1 Ų49.11%0.00525%0.252CS..Hα-helixtrans-71.3-42.6175.717360.7000110.7M115 P116 D117 M122 T123 A153 R154 L157 M159M115-L119 HydrophobicContact CB-CD2 4.16Å; M115-L119 HydrophobicContact CG-CD2 4.02Å; M115-L119 HydrophobicContact SD-CD2 3.75Å; M115-L119 HydrophobicContact SD-CG 4.08Å; P116-L119 WeakPolarHBondContact O-CA 3.43Å; P116-L119 WeakPolarHBondContact O-CB 3.46Å; P116-L119 PolarHBondContact O-N 3.45Å; D117-L119 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 3.47Å; L119-M122 PolarHBondContact O-N 3Å; L119-T123 WeakPolarHBondContact O-CB 3.34Å; L119-T123 PolarHBondContact O-N 3.29Å; L119-T123 PolarHBondContact O-OG1 3.2Å; L119-A153 HydrophobicContact CD1-CB 3.66Å; L119-R154 HydrophobicContact CD1-CB 4.39Å; L119-R154 HydrophobicContact CD1-CG 3.56Å; L119-R154 HydrophobicContact CD2-CG 3.81Å; L119-R154 HydrophobicContact CG-CG 4.35Å; L119-L157 HydrophobicContact CB-CD1 3.99Å; L119-L157 HydrophobicContact CD1-CD1 4.02Å; L119-M159 HydrophobicContact CD2-SD 4.2Å
120K95.4Very high94.2Very high50 Ų5049 Ų4922%0.21725%0.253CS..Hα-helixtrans-58.4-52.9177.2-177.2-176176.3179.60111.2N107 A110 P116 D117 M122 T123 L124N107-K120 WeakPolarHBondContact OD1-CE 3.46Å; N107-K120 PolarHBondContact OD1-NZ 2.89Å; A110-K120 HydrophobicContact CB-CD 4.18Å; A110-K120 HydrophobicContact CB-CG 4.38Å; P116-K120 PolarHBondContact O-N 2.8Å; D117-K120 WeakPolarHBondContact O-CB 3.15Å; D117-K120 PolarHBondContact O-N 3.18Å; D117-K120 VanDerWaalsContact O-N 3.1Å; K120-M122 PolarHBondContact O-N 3.37Å; K120-T123 WeakPolarHBondContact O-CB 3.28Å; K120-T123 PolarHBondContact O-N 2.9Å; K120-T123 VanDerWaalsContact O-N 3.15Å; K120-L124 HydrophobicContact CG-CD1 4.15Å; K120-L124 WeakPolarHBondContact O-CG 3.15Å; K120-L124 PolarHBondContact O-N 3Å
121Y94.2Very high94Very high120 Ų12049.5 Ų49.547%0.47125%0.254SS..Hα-helixtrans-65.3-39.1-179.2-67.2-57.4000112.9D117 T123 L124 Y125 Y203D117-Y121 HydrophobicContact CB-CD2 4.19Å; D117-Y121 HydrophobicContact CB-CE2 3.96Å; D117-Y121 WeakPolarHBondContact O-CD2 3.49Å; D117-Y121 PolarHBondContact O-N 3.13Å; Y121-T123 VanDerWaalsContact C-N 3.29Å; Y121-T123 PolarHBondContact O-N 3.47Å; Y121-L124 HydrophobicContact CD1-CD1 4.32Å; Y121-L124 PolarHBondContact O-N 3.06Å; Y121-Y125 WeakPolarHBondContact O-CB 3.5Å; Y121-Y125 PolarHBondContact O-N 3.15Å; Y121-Y203 WeakPolarHBondContact O-CE1 3.49Å
122M94.7Very high93.6Very high46 Ų4644.4 Ų44.423%0.22722%0.222CC..Hα-helixtrans-61.8-39.6173.1-178.461.569.400111.8K118 L119 K120 Y125 I126 A153 I156 L157K118-M122 VanDerWaalsContact O-CB 3.31Å; K118-M122 WeakPolarHBondContact O-CB 3.15Å; K118-M122 PolarHBondContact O-N 3.44Å; K118-M122 VanDerWaalsContact O-N 3.17Å; L119-M122 PolarHBondContact O-N 3Å; K120-M122 PolarHBondContact O-N 3.37Å; M122-Y125 HydrophobicContact SD-CD1 4.26Å; M122-I126 HydrophobicContact CG-CD1 4.01Å; M122-I126 WeakPolarHBondContact O-CD1 3.43Å; M122-I126 VanDerWaalsContact O-CG1 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.36Å; M122-I126 PolarHBondContact O-N 3.39Å; M122-I126 VanDerWaalsContact O-N 3.09Å; M122-I126 HydrophobicContact SD-CD1 4.15Å; M122-I126 HydrophobicContact SD-CG1 4.45Å; M122-A153 HydrophobicContact CB-CB 4.11Å; M122-A153 HydrophobicContact CG-CB 3.7Å; M122-I156 HydrophobicContact CE-CG2 4.23Å; M122-I156 HydrophobicContact SD-CG2 4.41Å; M122-L157 HydrophobicContact CB-CD1 4.34Å
123T96.4Very high93.3Very high0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-64.1-47.8176.5-590000111.1I106 L119 K120 Y121 I126 S127 V150 A153I106-T123 HydrophobicContact CB-CG2 4.44Å; I106-T123 HydrophobicContact CD1-CG2 3.85Å; I106-T123 HydrophobicContact CG1-CG2 3.78Å; I106-T123 HydrophobicContact CG2-CG2 3.77Å; L119-T123 WeakPolarHBondContact O-CB 3.34Å; L119-T123 PolarHBondContact O-N 3.29Å; L119-T123 PolarHBondContact O-OG1 3.2Å; K120-T123 WeakPolarHBondContact O-CB 3.28Å; K120-T123 PolarHBondContact O-N 2.9Å; K120-T123 VanDerWaalsContact O-N 3.15Å; Y121-T123 VanDerWaalsContact C-N 3.29Å; Y121-T123 PolarHBondContact O-N 3.47Å; T123-I126 PolarHBondContact O-N 3.05Å; T123-S127 WeakPolarHBondContact O-CB 3.44Å; T123-S127 PolarHBondContact O-N 3.33Å; T123-V150 HydrophobicContact CG2-CB 4.29Å; T123-V150 HydrophobicContact CG2-CG2 3.48Å; T123-V150 VanDerWaalsContact CG2-CG2 3.48Å; T123-A153 VanDerWaalsContact OG1-CB 3.29Å; T123-A153 WeakPolarHBondContact OG1-CB 3.47Å
124L94.9Very high92.8Very high8 Ų841.6 Ų41.64%0.04221%0.205CC..Hα-helixtrans-61.2-44.3178.8-69.8172.7000111.4Y103 I106 K120 Y121 I126 S127 E128 Y203Y103-L124 HydrophobicContact CD2-CD2 3.56Å; Y103-L124 HydrophobicContact CE2-CD2 4.01Å; I106-L124 HydrophobicContact CB-CD2 4.18Å; I106-L124 HydrophobicContact CD1-CD2 4.01Å; I106-L124 HydrophobicContact CG2-CD2 3.73Å; I106-L124 HydrophobicContact CG2-CG 4.07Å; K120-L124 HydrophobicContact CG-CD1 4.15Å; K120-L124 WeakPolarHBondContact O-CG 3.15Å; K120-L124 PolarHBondContact O-N 3Å; Y121-L124 HydrophobicContact CD1-CD1 4.32Å; Y121-L124 PolarHBondContact O-N 3.06Å; L124-I126 PolarHBondContact O-N 2.98Å; L124-S127 PolarHBondContact O-N 2.83Å; L124-E128 WeakPolarHBondContact O-CB 3.49Å; L124-E128 WeakPolarHBondContact O-CG 3.26Å; L124-E128 PolarHBondContact O-N 3.23Å; L124-Y203 HydrophobicContact CB-CE1 4.25Å; L124-Y203 WeakPolarHBondContact CB-OH 3.31Å
125Y93.7Very high92.4Very high32 Ų3243.9 Ų43.913%0.12521%0.212CC..Hα-helixtrans-56.4-50.6174.7171.5-116000112.4Y121 M122 S127 E128 L129 H188 R200 Y203Y121-Y125 WeakPolarHBondContact O-CB 3.5Å; Y121-Y125 PolarHBondContact O-N 3.15Å; M122-Y125 HydrophobicContact SD-CD1 4.26Å; Y125-S127 VanDerWaalsContact C-N 3.31Å; Y125-S127 PolarHBondContact O-N 3.39Å; Y125-E128 PolarHBondContact O-N 3.37Å; Y125-L129 HydrophobicContact CD1-CD1 4.42Å; Y125-L129 HydrophobicContact CD2-CG 4.44Å; Y125-L129 HydrophobicContact CE1-CD1 3.83Å; Y125-L129 HydrophobicContact CE2-CD1 4.12Å; Y125-L129 HydrophobicContact CE2-CD2 4.06Å; Y125-L129 HydrophobicContact CE2-CG 4.02Å; Y125-L129 WeakPolarHBondContact O-CG 3.43Å; Y125-L129 PolarHBondContact O-N 3.3Å; Y125-H188 AromaticContact CE1-CE1 3.76Å; Y125-H188 AromaticContact CE1-ND1 3.65Å; Y125-R200 HydrophobicContact CE2-CG 4.2Å; Y125-Y203 HydrophobicContact CD2-CD1 4.45Å; Y125-Y203 AromaticContact CD2-CD2 3.69Å; Y125-Y203 HydrophobicContact CD2-CD2 3.69Å; Y125-Y203 HydrophobicContact CD2-CE2 4.31Å; Y125-Y203 AromaticContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CG-CD1 4.45Å; Y125-Y203 HydrophobicContact CG-CD2 4.4Å; Y125-Y203 HydrophobicContact CG-CG 4.18Å
126I94.4Very high92.1Very high1 Ų145 Ų451%0.00522%0.219CC..Hα-helixtrans-61.4-42.2178.6-70.1165.2000111.1M122 T123 L124 L129 S130 L152 A153 I156 L184M122-I126 HydrophobicContact CG-CD1 4.01Å; M122-I126 WeakPolarHBondContact O-CD1 3.43Å; M122-I126 VanDerWaalsContact O-CG1 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.36Å; M122-I126 PolarHBondContact O-N 3.39Å; M122-I126 VanDerWaalsContact O-N 3.09Å; M122-I126 HydrophobicContact SD-CD1 4.15Å; M122-I126 HydrophobicContact SD-CG1 4.45Å; T123-I126 PolarHBondContact O-N 3.05Å; L124-I126 PolarHBondContact O-N 2.98Å; I126-L129 PolarHBondContact O-N 3.33Å; I126-S130 PolarHBondContact O-N 2.95Å; I126-L152 HydrophobicContact CD1-CB 4.33Å; I126-L152 HydrophobicContact CD1-CD2 4.19Å; I126-L152 HydrophobicContact CD1-CG 4.04Å; I126-L152 HydrophobicContact CG2-CD2 3.97Å; I126-A153 HydrophobicContact CD1-CB 3.92Å; I126-I156 HydrophobicContact CD1-CD1 3.87Å; I126-L184 HydrophobicContact CG2-CB 4.17Å; I126-L184 HydrophobicContact CG2-CD1 4.06Å; I126-L184 HydrophobicContact CG2-CD2 3.99Å; I126-L184 HydrophobicContact CG2-CG 4.31Å
127S95.2Very high92.1Very high0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-65.2-42.1178.1-1770000111.4Y24 T123 L124 Y125 L129 S130Y24-S127 VanDerWaalsContact OH-C 3.25Å; Y24-S127 VanDerWaalsContact OH-CB 3.25Å; Y24-S127 WeakPolarHBondContact OH-CB 3.22Å; Y24-S127 PolarHBondContact OH-OG 3.21Å; T123-S127 WeakPolarHBondContact O-CB 3.44Å; T123-S127 PolarHBondContact O-N 3.33Å; L124-S127 PolarHBondContact O-N 2.83Å; Y125-S127 VanDerWaalsContact C-N 3.31Å; Y125-S127 PolarHBondContact O-N 3.39Å; S127-L129 PolarHBondContact O-N 3.21Å; S127-S130 VanDerWaalsContact O-CB 3.31Å; S127-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact O-N 3.33Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 3.12Å
128E93Very high91.9Very high0 Ų041.7 Ų41.70%020%0.196CC..Hα-helixtrans-66.7-36.7178.2-80.2-175.3-13100112.4T20 Y24 L124 Y125 S130 L131 M199 K202 Y203T20-E128 VanDerWaalsContact CG2-OE1 3.27Å; T20-E128 WeakPolarHBondContact CG2-OE1 3.38Å; Y24-E128 HydrophobicContact CE2-CG 3.69Å; Y24-E128 WeakPolarHBondContact OH-CG 3.48Å; Y24-E128 PolarHBondContact OH-N 3.2Å; L124-E128 WeakPolarHBondContact O-CB 3.49Å; L124-E128 WeakPolarHBondContact O-CG 3.26Å; L124-E128 PolarHBondContact O-N 3.23Å; Y125-E128 PolarHBondContact O-N 3.37Å; E128-S130 PolarHBondContact O-N 2.86Å; E128-L131 HydrophobicContact CG-CD1 4.44Å; E128-L131 VanDerWaalsContact O-CB 3.27Å; E128-L131 WeakPolarHBondContact O-CB 3.44Å; E128-L131 PolarHBondContact O-N 2.89Å; E128-M199 HydrophobicContact CB-CE 3.87Å; E128-M199 HydrophobicContact CB-SD 3.89Å; E128-M199 HydrophobicContact CG-CE 4.44Å; E128-M199 WeakPolarHBondContact O-CE 3.16Å; E128-M199 VanDerWaalsContact OE2-SD 3.4Å; E128-K202 VanDerWaalsContact CD-NZ 3.35Å; E128-K202 IonicContact OE1-NZ 3.77Å; E128-K202 PolarHBondContact OE1-NZ 2.99Å; E128-K202 VanDerWaalsContact OE1-NZ 3.11Å; E128-K202 IonicContact OE2-NZ 3.99Å; E128-K202 PolarHBondContact OE2-NZ 3.43Å; E128-Y203 PolarHBondContact OE1-OH 3.42Å
129L91.7Very high91.8Very high11 Ų1140.9 Ų40.96%0.05819%0.194CC..Hα-helixtrans-55.8-35172.3-72.4177.7000112.2Y125 I126 S127 L131 M132 T187 A191 M199Y125-L129 HydrophobicContact CD1-CD1 4.42Å; Y125-L129 HydrophobicContact CD2-CG 4.44Å; Y125-L129 HydrophobicContact CE1-CD1 3.83Å; Y125-L129 HydrophobicContact CE2-CD1 4.12Å; Y125-L129 HydrophobicContact CE2-CD2 4.06Å; Y125-L129 HydrophobicContact CE2-CG 4.02Å; Y125-L129 WeakPolarHBondContact O-CG 3.43Å; Y125-L129 PolarHBondContact O-N 3.3Å; I126-L129 PolarHBondContact O-N 3.33Å; S127-L129 PolarHBondContact O-N 3.21Å; L129-L131 PolarHBondContact O-N 3.36Å; L129-M132 WeakPolarHBondContact O-CB 3.39Å; L129-M132 PolarHBondContact O-N 2.67Å; L129-T187 HydrophobicContact CB-CG2 4.09Å; L129-A191 HydrophobicContact CD1-CB 4.08Å; L129-A191 HydrophobicContact CD2-CB 4.12Å; L129-M199 HydrophobicContact CD2-CB 4.42Å
130S92Very high91.7Very high8 Ų842.8 Ų42.86%0.05620%0.202CC..Hα-helixtrans-65.3-24.9178.4830000113.2I126 S127 E128 M132 E133 Y137 M145I126-S130 PolarHBondContact O-N 2.95Å; S127-S130 VanDerWaalsContact O-CB 3.31Å; S127-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact O-N 3.33Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 3.12Å; E128-S130 PolarHBondContact O-N 2.86Å; S130-M132 PolarHBondContact O-N 3.46Å; S130-E133 PolarHBondContact O-N 3.41Å; S130-Y137 WeakPolarHBondContact O-CD2 3.36Å; S130-M145 VanDerWaalsContact CB-CE 3.42Å; S130-M145 WeakPolarHBondContact OG-CE 3.29Å
131L91.2Very high91.7Very high22 Ų2245.7 Ų45.712%0.11522%0.219CC..Hα-helixtrans-63.4-26.4177-61.8177000111.8R2 I6 Y24 V27 E128 L129 M199R2-L131 PolarHBondContact NH1-O 2.89Å; R2-L131 PolarHBondContact NH2-O 3.07Å; I6-L131 WeakPolarHBondContact CD1-O 3.39Å; I6-L131 HydrophobicContact CG2-CB 4.37Å; Y24-L131 HydrophobicContact CD1-CD1 4.12Å; Y24-L131 HydrophobicContact CD1-CD2 3.92Å; Y24-L131 HydrophobicContact CD1-CG 4.49Å; Y24-L131 HydrophobicContact CD2-CD1 4.24Å; Y24-L131 HydrophobicContact CE1-CD1 3.93Å; Y24-L131 HydrophobicContact CE1-CD2 3.83Å; Y24-L131 HydrophobicContact CE1-CG 4.11Å; Y24-L131 HydrophobicContact CE2-CD1 4.07Å; Y24-L131 HydrophobicContact CG-CD1 4.27Å; V27-L131 HydrophobicContact CG1-CD2 4.24Å; E128-L131 HydrophobicContact CG-CD1 4.44Å; E128-L131 VanDerWaalsContact O-CB 3.27Å; E128-L131 WeakPolarHBondContact O-CB 3.44Å; E128-L131 PolarHBondContact O-N 2.89Å; L129-L131 PolarHBondContact O-N 3.36Å; L131-M199 HydrophobicContact CD1-CE 4.33Å
132M86.9Confident91.7Very high14 Ų1441.9 Ų41.97%0.06921%0.209CC..Hα-helixtrans-72.6-32.7-177.2-59.2-63.7-73.600113S3 I6 D7 L129 S130 T196 M199S3-M132 VanDerWaalsContact O-CE 3.32Å; S3-M132 WeakPolarHBondContact O-CE 3.17Å; I6-M132 HydrophobicContact CB-SD 3.98Å; I6-M132 HydrophobicContact CG2-SD 3.55Å; I6-M132 VanDerWaalsContact CG2-SD 3.55Å; D7-M132 HydrophobicContact CB-CE 3.77Å; L129-M132 WeakPolarHBondContact O-CB 3.39Å; L129-M132 PolarHBondContact O-N 2.67Å; S130-M132 PolarHBondContact O-N 3.46Å; M132-T196 VanDerWaalsContact CE-CB 3.48Å; M132-T196 HydrophobicContact CE-CG2 3.72Å; M132-M199 HydrophobicContact CG-CG 4.43Å; M132-M199 HydrophobicContact SD-CE 4.43Å; M132-M199 HydrophobicContact SD-CG 4.31Å
133E87.1Confident91.8Very high54 Ų5440.7 Ų40.725%0.25221%0.206SC..  trans-106.373.2-173.8-70.1-176-147.900112.4S130 E135 T136 Y137 T187S130-E133 PolarHBondContact O-N 3.41Å; E133-E135 VanDerWaalsContact C-N 3.33Å; E133-E135 PolarHBondContact O-N 3.32Å; E133-T136 PolarHBondContact O-N 3.4Å; E133-Y137 HydrophobicContact CB-CD2 3.7Å; E133-Y137 HydrophobicContact CB-CE2 3.68Å; E133-Y137 HydrophobicContact CG-CE2 4.44Å; E133-Y137 WeakPolarHBondContact O-CD2 3.37Å; E133-Y137 PolarHBondContact O-N 3.36Å; E133-T187 WeakPolarHBondContact OE1-CG2 3.47Å; E133-T187 PolarHBondContact OE1-OG1 3.33Å; E133-T187 PolarHBondContact OE2-OG1 3.42Å
134G82.9Confident91.8Very high8 Ų842 Ų428%0.08221%0.212CC..Hα-helixtrans-57.2-39.5-176.200000114.6R2 T136 Y137 L138R2-G134 VanDerWaalsContact NH1-N 3.18Å; G134-T136 VanDerWaalsContact C-N 3.25Å; G134-T136 PolarHBondContact O-N 3.36Å; G134-Y137 PolarHBondContact O-N 3.49Å; G134-L138 WeakPolarHBondContact O-CB 3.41Å; G134-L138 WeakPolarHBondContact O-CD1 3.27Å; G134-L138 WeakPolarHBondContact O-CG 3.34Å; G134-L138 PolarHBondContact O-N 3.34Å
135E84.3Confident91.9Very high196 Ų19642 Ų4292%0.91621%0.212SC*.Hα-helixtrans-59.1-36.8-178.4-68.8179.2-171.200112.8E133E133-E135 VanDerWaalsContact C-N 3.33Å; E133-E135 PolarHBondContact O-N 3.32Å
136T88.9Confident92Very high37 Ų3740.5 Ų40.523%0.22721%0.206CC..Hα-helixtrans-81-43.7-179.4-51.80000111.2E133 G134 Q139 Y140 H183E133-T136 PolarHBondContact O-N 3.4Å; G134-T136 VanDerWaalsContact C-N 3.25Å; G134-T136 PolarHBondContact O-N 3.36Å; T136-Q139 PolarHBondContact O-NE2 2.95Å; T136-Y140 WeakPolarHBondContact O-CE2 3.28Å; T136-H183 HydrophobicContact CG2-CB 3.96Å
137Y93.1Very high92.2Very high12 Ų1240.4 Ų40.45%0.04721%0.206CC..Hα-helixtrans-101.4-20.1-162.4-61.4-67.7000115.6S130 E133 G134 Q139 Y140 M145 H183 L184 T187S130-Y137 WeakPolarHBondContact O-CD2 3.36Å; E133-Y137 HydrophobicContact CB-CD2 3.7Å; E133-Y137 HydrophobicContact CB-CE2 3.68Å; E133-Y137 HydrophobicContact CG-CE2 4.44Å; E133-Y137 WeakPolarHBondContact O-CD2 3.37Å; E133-Y137 PolarHBondContact O-N 3.36Å; G134-Y137 PolarHBondContact O-N 3.49Å; Y137-Q139 PolarHBondContact O-N 3.47Å; Y137-Q139 VanDerWaalsContact O-N 3.09Å; Y137-Y140 HydrophobicContact CD1-CD2 4.19Å; Y137-Y140 HydrophobicContact CD1-CE2 4.37Å; Y137-Y140 PolarHBondContact O-N 3.24Å; Y137-M145 HydrophobicContact CD1-CE 3.42Å; Y137-M145 VanDerWaalsContact CD1-CE 3.42Å; Y137-M145 HydrophobicContact CD1-SD 3.82Å; Y137-M145 HydrophobicContact CE1-CE 4.01Å; Y137-M145 HydrophobicContact CG-CE 4.02Å; Y137-H183 HydrophobicContact CE1-CB 3.9Å; Y137-H183 PolarHBondContact OH-O 2.9Å; Y137-H183 VanDerWaalsContact OH-O 3.14Å; Y137-L184 HydrophobicContact CE1-CD2 3.77Å; Y137-L184 HydrophobicContact CE1-CG 4.08Å; Y137-L184 WeakPolarHBondContact OH-CA 3.25Å; Y137-L184 PolarHBondContact OH-N 2.97Å; Y137-T187 WeakPolarHBondContact OH-CB 3.37Å; Y137-T187 PolarHBondContact OH-OG1 3.17Å
138L90Very high92.3Very high102 Ų10240.4 Ų40.453%0.53421%0.206SC..THydrogen-bonded Turntrans-63-18.8-178.5-76.1171.9000114.4D31 G134 Y140D31-L138 HydrophobicContact CB-CD2 4.01Å; D31-L138 WeakPolarHBondContact OD2-CD2 3.25Å; G134-L138 WeakPolarHBondContact O-CB 3.41Å; G134-L138 WeakPolarHBondContact O-CD1 3.27Å; G134-L138 WeakPolarHBondContact O-CG 3.34Å; G134-L138 PolarHBondContact O-N 3.34Å; L138-Y140 VanDerWaalsContact C-N 3.31Å
139Q91.4Very high92.5Very high136 Ų13640.4 Ų40.464%0.63621%0.206SC*.THydrogen-bonded Turntrans-76.9-16.417769-172.3-4900113.7T136 Y137T136-Q139 PolarHBondContact O-NE2 2.95Å; Y137-Q139 PolarHBondContact O-N 3.47Å; Y137-Q139 VanDerWaalsContact O-N 3.09Å
140Y94Very high92.7Very high41 Ų4139.9 Ų39.916%0.16120%0.203CC..SBendtrans-97145-174.6-59-61.1000111.8T136 Y137 L138 L144 M145 V180 H183T136-Y140 WeakPolarHBondContact O-CE2 3.28Å; Y137-Y140 HydrophobicContact CD1-CD2 4.19Å; Y137-Y140 HydrophobicContact CD1-CE2 4.37Å; Y137-Y140 PolarHBondContact O-N 3.24Å; L138-Y140 VanDerWaalsContact C-N 3.31Å; Y140-L144 HydrophobicContact CD1-CD2 3.75Å; Y140-L144 HydrophobicContact CG-CD2 4.37Å; Y140-M145 HydrophobicContact CD2-SD 3.75Å; Y140-M145 HydrophobicContact CG-SD 4.01Å; Y140-V180 HydrophobicContact CD1-CG2 3.58Å; Y140-V180 HydrophobicContact CD2-CG1 4.47Å; Y140-V180 HydrophobicContact CD2-CG2 4.02Å; Y140-V180 HydrophobicContact CE1-CG2 3.54Å; Y140-V180 HydrophobicContact CE2-CG2 4.03Å; Y140-V180 HydrophobicContact CG-CG2 3.83Å; Y140-H183 PolarHBondContact OH-CE1 3.31Å; Y140-H183 PolarHBondContact OH-ND1 2.93Å
141L94.8Very high93Very high111 Ų11139.5 Ų39.558%0.58120%0.201SC*.  trans-69.6147.1175.1-65.7171.2000110.7S143 L144 M145L141-S143 PolarHBondContact O-N 3.2Å; L141-L144 HydrophobicContact CB-CB 4.4Å; L141-L144 WeakPolarHBondContact O-CB 3.19Å; L141-L144 PolarHBondContact O-N 2.55Å; L141-M145 PolarHBondContact O-N 3.08Å
142P95.6Very high93.2Very high41 Ų4138.7 Ų38.727%0.26620%0.196SC..Hα-helixtrans-56-34.1176.3-27.235000114.1P100 A102 F105 S146P100-P142 WeakPolarHBondContact O-CG 3.44Å; A102-P142 HydrophobicContact CB-CB 4.5Å; F105-P142 HydrophobicContact CD2-CB 4.18Å; F105-P142 HydrophobicContact CE2-CB 4.15Å; P142-S146 WeakPolarHBondContact O-CB 3.44Å; P142-S146 PolarHBondContact O-N 2.9Å; P142-S146 PolarHBondContact O-OG 3.22Å
143S96.6Very high93.7Very high21 Ų2138 Ų3815%0.14719%0.193CC..Hα-helixtrans-66.9-38.1175.3600000112.8L141 S146 S147 Y172L141-S143 PolarHBondContact O-N 3.2Å; S143-S146 WeakPolarHBondContact CA-OG 3.34Å; S143-S146 PolarHBondContact O-OG 3.08Å; S143-S147 WeakPolarHBondContact O-CB 3.17Å; S143-S147 PolarHBondContact O-N 2.95Å; S143-S147 VanDerWaalsContact O-N 3.15Å; S143-S147 PolarHBondContact O-OG 3.38Å; S143-Y172 PolarHBondContact OG-OH 3.34Å
144L96.6Very high94.2Very high26 Ų2637 Ų3714%0.13619%0.187CC..Hα-helixtrans-71.7-42.3176.7-172.770.1000110.9Y140 L141 S147 A148 Y172 L177 V180Y140-L144 HydrophobicContact CD1-CD2 3.75Å; Y140-L144 HydrophobicContact CG-CD2 4.37Å; L141-L144 HydrophobicContact CB-CB 4.4Å; L141-L144 WeakPolarHBondContact O-CB 3.19Å; L141-L144 PolarHBondContact O-N 2.55Å; L144-S147 PolarHBondContact O-N 3.1Å; L144-A148 VanDerWaalsContact O-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.37Å; L144-Y172 HydrophobicContact CB-CE2 4.4Å; L144-Y172 HydrophobicContact CD1-CD1 4.06Å; L144-Y172 HydrophobicContact CD1-CD2 4.41Å; L144-Y172 HydrophobicContact CD1-CE1 3.92Å; L144-Y172 HydrophobicContact CD1-CE2 4.27Å; L144-Y172 HydrophobicContact CD1-CG 4.31Å; L144-L177 HydrophobicContact CD1-CD2 3.57Å; L144-V180 HydrophobicContact CD2-CG2 3.82Å; L144-V180 HydrophobicContact CG-CG2 4.09Å
145M96.6Very high94.8Very high9 Ų941.9 Ų41.94%0.04421%0.207CC..Hα-helixtrans-60.9-46.5177.3-74.1-56.1-57.800112.2A102 S130 Y137 Y140 L141 S149 V180 L184A102-M145 HydrophobicContact CB-CB 4.41Å; S130-M145 VanDerWaalsContact CB-CE 3.42Å; S130-M145 WeakPolarHBondContact OG-CE 3.29Å; Y137-M145 HydrophobicContact CD1-CE 3.42Å; Y137-M145 VanDerWaalsContact CD1-CE 3.42Å; Y137-M145 HydrophobicContact CD1-SD 3.82Å; Y137-M145 HydrophobicContact CE1-CE 4.01Å; Y137-M145 HydrophobicContact CG-CE 4.02Å; Y140-M145 HydrophobicContact CD2-SD 3.75Å; Y140-M145 HydrophobicContact CG-SD 4.01Å; L141-M145 PolarHBondContact O-N 3.08Å; M145-S149 WeakPolarHBondContact O-CB 3.45Å; M145-S149 PolarHBondContact O-N 3.47Å; M145-S149 PolarHBondContact O-OG 2.63Å; M145-V180 HydrophobicContact CE-CG1 4.19Å; M145-V180 HydrophobicContact SD-CG1 3.51Å; M145-V180 VanDerWaalsContact SD-CG1 3.51Å; M145-L184 HydrophobicContact CE-CD2 4.04Å
146S96.5Very high95.3Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-62.8-46.9176.549.30000112.1F105 P142 S143 A148 S149 V150F105-S146 WeakPolarHBondContact CB-OG 3.35Å; P142-S146 WeakPolarHBondContact O-CB 3.44Å; P142-S146 PolarHBondContact O-N 2.9Å; P142-S146 PolarHBondContact O-OG 3.22Å; S143-S146 WeakPolarHBondContact CA-OG 3.34Å; S143-S146 PolarHBondContact O-OG 3.08Å; S146-A148 PolarHBondContact O-N 2.93Å; S146-S149 PolarHBondContact O-N 2.98Å; S146-V150 WeakPolarHBondContact O-CG2 3.41Å; S146-V150 PolarHBondContact O-N 3.38Å
147S97.1Very high95.6Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-61.4-44.3177.3-72.80000112.8Y109 S143 L144 S149 V150 A151 W162 T170Y109-S147 PolarHBondContact OH-OG 2.76Å; S143-S147 WeakPolarHBondContact O-CB 3.17Å; S143-S147 PolarHBondContact O-N 2.95Å; S143-S147 VanDerWaalsContact O-N 3.15Å; S143-S147 PolarHBondContact O-OG 3.38Å; L144-S147 PolarHBondContact O-N 3.1Å; S147-S149 VanDerWaalsContact C-N 3.33Å; S147-S149 PolarHBondContact O-N 3.46Å; S147-V150 PolarHBondContact O-N 3.34Å; S147-A151 PolarHBondContact O-N 2.9Å; S147-W162 WeakPolarHBondContact O-CZ3 3.43Å; S147-T170 WeakPolarHBondContact OG-CG2 3.42Å
148A97.4Very high95.7Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-64-38.4175.800000112.2L144 S146 A151 L152 V180 V181 L184L144-A148 VanDerWaalsContact O-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.37Å; S146-A148 PolarHBondContact O-N 2.93Å; A148-A151 PolarHBondContact O-N 3.34Å; A148-L152 PolarHBondContact O-N 3.31Å; A148-V180 HydrophobicContact CB-CB 3.69Å; A148-V180 HydrophobicContact CB-CG1 3.44Å; A148-V180 VanDerWaalsContact CB-CG1 3.44Å; A148-V181 HydrophobicContact CB-CG2 3.86Å; A148-L184 HydrophobicContact CB-CD1 3.86Å
149S97.2Very high95.9Very high0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-64.4-42.4176.5-58.50000111.4M145 S146 S147 L152 A153M145-S149 WeakPolarHBondContact O-CB 3.45Å; M145-S149 PolarHBondContact O-N 3.47Å; M145-S149 PolarHBondContact O-OG 2.63Å; S146-S149 PolarHBondContact O-N 2.98Å; S147-S149 VanDerWaalsContact C-N 3.33Å; S147-S149 PolarHBondContact O-N 3.46Å; S149-L152 PolarHBondContact O-N 3.43Å; S149-A153 VanDerWaalsContact O-CB 3.28Å; S149-A153 WeakPolarHBondContact O-CB 3.39Å; S149-A153 PolarHBondContact O-N 3.42Å
150V97.2Very high96Very high0 Ų037.6 Ų37.60%021%0.205CC..Hα-helixtrans-61.8-47.2174.3171.20000110.2Y109 M115 T123 S146 S147 L152 A153 R154 L166Y109-V150 HydrophobicContact CD2-CG2 4.14Å; M115-V150 HydrophobicContact CE-CG2 4.19Å; M115-V150 HydrophobicContact SD-CG1 4.1Å; M115-V150 HydrophobicContact SD-CG2 4.3Å; T123-V150 HydrophobicContact CG2-CB 4.29Å; T123-V150 HydrophobicContact CG2-CG2 3.48Å; T123-V150 VanDerWaalsContact CG2-CG2 3.48Å; S146-V150 WeakPolarHBondContact O-CG2 3.41Å; S146-V150 PolarHBondContact O-N 3.38Å; S147-V150 PolarHBondContact O-N 3.34Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 2.77Å; V150-A153 PolarHBondContact O-N 3.24Å; V150-R154 HydrophobicContact CG1-CG 4.24Å; V150-R154 WeakPolarHBondContact O-CB 3.17Å; V150-R154 VanDerWaalsContact O-CG 3.24Å; V150-R154 WeakPolarHBondContact O-CG 3.45Å; V150-R154 PolarHBondContact O-N 3.47Å; V150-L166 HydrophobicContact CG1-CD1 4.09Å; V150-L166 HydrophobicContact CG1-CD2 4.45Å
151A97.2Very high96Very high0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-59.6-43.5-178.900000112.2S147 A148 H155 M161 W162 L177 V181S147-A151 PolarHBondContact O-N 2.9Å; A148-A151 PolarHBondContact O-N 3.34Å; A151-H155 PolarHBondContact O-N 3.21Å; A151-H155 VanDerWaalsContact O-N 3.13Å; A151-M161 WeakPolarHBondContact CA-O 3.48Å; A151-W162 HydrophobicContact CB-CE3 3.72Å; A151-W162 HydrophobicContact CB-CZ3 4.05Å; A151-L177 HydrophobicContact CB-CD1 4.08Å; A151-V181 HydrophobicContact CB-CG2 4.21Å
152L97Very high96Very high4 Ų433.6 Ų33.62%0.02119%0.185CC..Hα-helixtrans-68.9-43.4177.1-177.659.9000111.9I126 A148 S149 V150 R154 H155 I156 V181 L184 C185I126-L152 HydrophobicContact CD1-CB 4.33Å; I126-L152 HydrophobicContact CD1-CD2 4.19Å; I126-L152 HydrophobicContact CD1-CG 4.04Å; I126-L152 HydrophobicContact CG2-CD2 3.97Å; A148-L152 PolarHBondContact O-N 3.31Å; S149-L152 PolarHBondContact O-N 3.43Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 2.77Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.09Å; L152-H155 WeakPolarHBondContact O-CB 3.37Å; L152-H155 PolarHBondContact O-N 2.81Å; L152-I156 HydrophobicContact CD1-CD1 4.09Å; L152-I156 HydrophobicContact CD1-CG1 4.29Å; L152-I156 HydrophobicContact CD2-CD1 4.5Å; L152-I156 HydrophobicContact CG-CD1 3.86Å; L152-I156 HydrophobicContact CG-CG1 4.48Å; L152-I156 WeakPolarHBondContact O-CG1 3.48Å; L152-I156 PolarHBondContact O-N 3.3Å; L152-V181 HydrophobicContact CB-CG1 4.43Å; L152-V181 HydrophobicContact CD1-CG1 4.38Å; L152-L184 HydrophobicContact CD2-CB 3.57Å; L152-C185 HydrophobicContact CD1-CB 4.16Å; L152-C185 HydrophobicContact CD2-CB 4.35Å
153A96.9Very high95.9Very high0 Ų032.8 Ų32.80%018%0.179CC..Hα-helixtrans-59.4-43.8177.400000111.8L119 M122 T123 I126 S149 V150 H155 I156 L157L119-A153 HydrophobicContact CD1-CB 3.66Å; M122-A153 HydrophobicContact CB-CB 4.11Å; M122-A153 HydrophobicContact CG-CB 3.7Å; T123-A153 VanDerWaalsContact OG1-CB 3.29Å; T123-A153 WeakPolarHBondContact OG1-CB 3.47Å; I126-A153 HydrophobicContact CD1-CB 3.92Å; S149-A153 VanDerWaalsContact O-CB 3.28Å; S149-A153 WeakPolarHBondContact O-CB 3.39Å; S149-A153 PolarHBondContact O-N 3.42Å; V150-A153 PolarHBondContact O-N 3.24Å; A153-H155 PolarHBondContact O-N 3.11Å; A153-I156 PolarHBondContact O-N 3Å; A153-L157 WeakPolarHBondContact O-CG 3.43Å; A153-L157 PolarHBondContact O-N 3.37Å
154R96.6Very high95.8Very high34 Ų3436.6 Ų36.613%0.12820%0.204CC..Hα-helixtrans-59.6-45.5174.9-70.9177.969.181.46111.4L119 V150 L152 I156 L157 G158 M159 E160 T163L119-R154 HydrophobicContact CD1-CB 4.39Å; L119-R154 HydrophobicContact CD1-CG 3.56Å; L119-R154 HydrophobicContact CD2-CG 3.81Å; L119-R154 HydrophobicContact CG-CG 4.35Å; V150-R154 HydrophobicContact CG1-CG 4.24Å; V150-R154 WeakPolarHBondContact O-CB 3.17Å; V150-R154 VanDerWaalsContact O-CG 3.24Å; V150-R154 WeakPolarHBondContact O-CG 3.45Å; V150-R154 PolarHBondContact O-N 3.47Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.09Å; R154-I156 PolarHBondContact O-N 3.26Å; R154-L157 PolarHBondContact O-N 3.29Å; R154-G158 PolarHBondContact O-N 2.91Å; R154-M159 HydrophobicContact CB-CB 4.14Å; R154-M159 WeakPolarHBondContact O-CA 3.26Å; R154-M159 WeakPolarHBondContact O-CB 3.38Å; R154-M159 PolarHBondContact O-N 2.52Å; R154-E160 PolarHBondContact NE-O 3.16Å; R154-E160 PolarHBondContact NH2-O 3.47Å; R154-T163 VanDerWaalsContact NH2-CG2 3.31Å
155H96.1Very high95.6Very high110 Ų11041.1 Ų41.151%0.50922%0.219SC..Hα-helixtrans-58.1-48.8176.3-169.857.4000112.4A151 L152 A153 L157 G158 M161A151-H155 PolarHBondContact O-N 3.21Å; A151-H155 VanDerWaalsContact O-N 3.13Å; L152-H155 WeakPolarHBondContact O-CB 3.37Å; L152-H155 PolarHBondContact O-N 2.81Å; A153-H155 PolarHBondContact O-N 3.11Å; H155-L157 PolarHBondContact O-N 2.7Å; H155-G158 PolarHBondContact O-N 2.87Å; H155-M161 HydrophobicContact CB-CE 4.21Å; H155-M161 HydrophobicContact CB-CG 3.72Å; H155-M161 HydrophobicContact CB-SD 4.07Å
156I94.9Very high95.5Very high68 Ų6840.8 Ų40.835%0.34922%0.218SC..Hα-helixtrans-61.5-34.6-178.7-71.3168000111.2M122 I126 L152 A153 R154 G158M122-I156 HydrophobicContact CE-CG2 4.23Å; M122-I156 HydrophobicContact SD-CG2 4.41Å; I126-I156 HydrophobicContact CD1-CD1 3.87Å; L152-I156 HydrophobicContact CD1-CD1 4.09Å; L152-I156 HydrophobicContact CD1-CG1 4.29Å; L152-I156 HydrophobicContact CD2-CD1 4.5Å; L152-I156 HydrophobicContact CG-CD1 3.86Å; L152-I156 HydrophobicContact CG-CG1 4.48Å; L152-I156 WeakPolarHBondContact O-CG1 3.48Å; L152-I156 PolarHBondContact O-N 3.3Å; A153-I156 PolarHBondContact O-N 3Å; R154-I156 PolarHBondContact O-N 3.26Å; I156-G158 VanDerWaalsContact C-N 3.26Å; I156-G158 PolarHBondContact O-N 2.99Å
157L95.4Very high95.5Very high50 Ų5044.5 Ų44.526%0.26224%0.235SC..THydrogen-bonded Turntrans-84.16.8178.3-64.9176.2000113.9K118 L119 M122 A153 R154 H155 M159K118-L157 HydrophobicContact CD-CD2 4.18Å; K118-L157 HydrophobicContact CG-CD1 4.37Å; K118-L157 HydrophobicContact CG-CD2 4.23Å; L119-L157 HydrophobicContact CB-CD1 3.99Å; L119-L157 HydrophobicContact CD1-CD1 4.02Å; M122-L157 HydrophobicContact CB-CD1 4.34Å; A153-L157 WeakPolarHBondContact O-CG 3.43Å; A153-L157 PolarHBondContact O-N 3.37Å; R154-L157 PolarHBondContact O-N 3.29Å; H155-L157 PolarHBondContact O-N 2.7Å; L157-M159 VanDerWaalsContact C-N 3.28Å; L157-M159 HydrophobicContact CB-CG 4.27Å; L157-M159 HydrophobicContact CB-SD 4.45Å; L157-M159 PolarHBondContact O-N 3.33Å
158G94.3Very high95.3Very high73 Ų7350.8 Ų50.875%0.75326%0.264SS*.THydrogen-bonded Turntrans73.518179.400000114.1R154 H155 I156R154-G158 PolarHBondContact O-N 2.91Å; H155-G158 PolarHBondContact O-N 2.87Å; I156-G158 VanDerWaalsContact C-N 3.26Å; I156-G158 PolarHBondContact O-N 2.99Å
159M94.8Very high95.2Very high72 Ų7253 Ų5336%0.35528%0.276SS..SBendtrans-92.1163.5175.4-51.4177.584.400110.5L119 R154 L157 M161L119-M159 HydrophobicContact CD2-SD 4.2Å; R154-M159 HydrophobicContact CB-CB 4.14Å; R154-M159 WeakPolarHBondContact O-CA 3.26Å; R154-M159 WeakPolarHBondContact O-CB 3.38Å; R154-M159 PolarHBondContact O-N 2.52Å; L157-M159 VanDerWaalsContact C-N 3.28Å; L157-M159 HydrophobicContact CB-CG 4.27Å; L157-M159 HydrophobicContact CB-SD 4.45Å; L157-M159 PolarHBondContact O-N 3.33Å; M159-M161 PolarHBondContact O-N 2.92Å
160E94.1Very high95Very high129 Ų12953.6 Ų53.660%0.60328%0.279SS*.  trans-58.8126.4168.9-177.6179.3-160.600110.3R154 W162R154-E160 PolarHBondContact NE-O 3.16Å; R154-E160 PolarHBondContact NH2-O 3.47Å; E160-W162 PolarHBondContact O-N 3.32Å
161M92.8Very high94.9Very high50 Ų5059.1 Ų59.125%0.24631%0.313CS..SBendtrans-58.7-47.1-172-66.7-166.955.100113.1A151 H155 M159 L174 V181A151-M161 WeakPolarHBondContact CA-O 3.48Å; H155-M161 HydrophobicContact CB-CE 4.21Å; H155-M161 HydrophobicContact CB-CG 3.72Å; H155-M161 HydrophobicContact CB-SD 4.07Å; M159-M161 PolarHBondContact O-N 2.92Å; M161-L174 HydrophobicContact CE-CD1 4.43Å; M161-V181 HydrophobicContact CE-CG1 4.17Å
162W95.5Very high94.8Very high18 Ų1861.3 Ų61.37%0.06832%0.322CS..SBendtrans-139.6124.2-173.8-156.9-116.1000109.4S147 A151 E160 L166 T170 Y172 L174 L177S147-W162 WeakPolarHBondContact O-CZ3 3.43Å; A151-W162 HydrophobicContact CB-CE3 3.72Å; A151-W162 HydrophobicContact CB-CZ3 4.05Å; E160-W162 PolarHBondContact O-N 3.32Å; W162-L166 HydrophobicContact CD2-CB 4.21Å; W162-L166 HydrophobicContact CE3-CB 4.25Å; W162-L166 HydrophobicContact CE3-CD1 3.99Å; W162-L166 HydrophobicContact CH2-CB 3.93Å; W162-L166 HydrophobicContact CZ2-CB 3.91Å; W162-L166 HydrophobicContact CZ3-CB 4.11Å; W162-L166 HydrophobicContact CZ3-CD1 3.99Å; W162-L166 HydrophobicContact CZ3-CG 4.5Å; W162-T170 HydrophobicContact CH2-CG2 4.31Å; W162-T170 HydrophobicContact CZ2-CG2 4.49Å; W162-T170 WeakPolarHBondContact CZ2-OG1 3.34Å; W162-Y172 PolarHBondContact NE1-O 2.86Å; W162-L174 HydrophobicContact CB-CB 4.27Å; W162-L174 HydrophobicContact CB-CD1 4.13Å; W162-L174 HydrophobicContact CG-CB 4.36Å; W162-L177 HydrophobicContact CD2-CD1 3.78Å; W162-L177 HydrophobicContact CE3-CD1 3.66Å; W162-L177 HydrophobicContact CH2-CD1 3.65Å; W162-L177 HydrophobicContact CZ2-CD1 3.72Å; W162-L177 HydrophobicContact CZ3-CD1 3.6Å
163T93.9Very high94.8Very high24 Ų2466.3 Ų66.315%0.14734%0.343CS..  trans-104.9154.5-176.164.60000110.3R154 R165 L166 E167R154-T163 VanDerWaalsContact NH2-CG2 3.31Å; T163-R165 PolarHBondContact O-N 2.89Å; T163-R165 VanDerWaalsContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 3.28Å; T163-L166 WeakPolarHBondContact OG1-CG 3.49Å; T163-L166 PolarHBondContact OG1-N 2.94Å; T163-E167 PolarHBondContact O-N 3.11Å; T163-E167 VanDerWaalsContact O-N 3.09Å
164P93.7Very high94.6Very high102 Ų10270 Ų7066%0.66236%0.363SS*.Hα-helixtrans-55.6-32.2175.3-26.935.1000113.2E167 E168P164-E167 PolarHBondContact O-N 3.13Å; P164-E168 WeakPolarHBondContact O-CB 3.44Å; P164-E168 PolarHBondContact O-N 2.91Å
165R93.2Very high94.5Very high120 Ų12076 Ų7645%0.45339%0.392SS..Hα-helixtrans-66.3-40.1176.6-177.656.6174176.72.2112.8T163 E168 I169T163-R165 PolarHBondContact O-N 2.89Å; T163-R165 VanDerWaalsContact O-N 3.13Å; R165-E168 WeakPolarHBondContact CD-OE2 3.42Å; R165-E168 IonicContact CZ-OE2 3.82Å; R165-E168 IonicContact NH1-OE1 3.82Å; R165-E168 IonicContact NH1-OE2 2.81Å; R165-E168 PolarHBondContact NH1-OE2 2.93Å; R165-E168 PolarHBondContact O-N 3.45Å; R165-I169 HydrophobicContact CG-CD1 4.04Å; R165-I169 WeakPolarHBondContact O-CG1 3.42Å; R165-I169 PolarHBondContact O-N 3.45Å; R165-I169 VanDerWaalsContact O-N 3.1Å
166L93.8Very high94.4Very high3 Ų374.7 Ų74.72%0.01639%0.389CS..Hα-helixtrans-68.9-39.5175.8-75.1167.1000111V150 W162 T163 E168 I169 T170V150-L166 HydrophobicContact CG1-CD1 4.09Å; V150-L166 HydrophobicContact CG1-CD2 4.45Å; W162-L166 HydrophobicContact CD2-CB 4.21Å; W162-L166 HydrophobicContact CE3-CB 4.25Å; W162-L166 HydrophobicContact CE3-CD1 3.99Å; W162-L166 HydrophobicContact CH2-CB 3.93Å; W162-L166 HydrophobicContact CZ2-CB 3.91Å; W162-L166 HydrophobicContact CZ3-CB 4.11Å; W162-L166 HydrophobicContact CZ3-CD1 3.99Å; W162-L166 HydrophobicContact CZ3-CG 4.5Å; T163-L166 PolarHBondContact O-N 3.28Å; T163-L166 WeakPolarHBondContact OG1-CG 3.49Å; T163-L166 PolarHBondContact OG1-N 2.94Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-I169 PolarHBondContact O-N 3.1Å; L166-T170 VanDerWaalsContact O-CB 3.31Å; L166-T170 WeakPolarHBondContact O-CB 3.34Å; L166-T170 VanDerWaalsContact O-CG2 3.28Å; L166-T170 WeakPolarHBondContact O-CG2 3.43Å; L166-T170 PolarHBondContact O-N 3.43Å; L166-T170 PolarHBondContact O-OG1 3.13Å
167E95.3Very high94.5Very high78 Ų7871.5 Ų71.536%0.36437%0.372SS..Hα-helixtrans-62.4-40.8173.7-174.9168159.900111.6T163 P164 T171T163-E167 PolarHBondContact O-N 3.11Å; T163-E167 VanDerWaalsContact O-N 3.09Å; P164-E167 PolarHBondContact O-N 3.13Å; E167-T171 WeakPolarHBondContact O-CA 3.47Å; E167-T171 PolarHBondContact O-N 3.01Å
168E94.4Very high94.4Very high132 Ų13275.6 Ų75.662%0.61739%0.388SS*.Hα-helixtrans-61.9-47.4176-175.1-170.8-167.800112.5P164 R165 L166P164-E168 WeakPolarHBondContact O-CB 3.44Å; P164-E168 PolarHBondContact O-N 2.91Å; R165-E168 WeakPolarHBondContact CD-OE2 3.42Å; R165-E168 IonicContact CZ-OE2 3.82Å; R165-E168 IonicContact NH1-OE1 3.82Å; R165-E168 IonicContact NH1-OE2 2.81Å; R165-E168 PolarHBondContact NH1-OE2 2.93Å; R165-E168 PolarHBondContact O-N 3.45Å; L166-E168 VanDerWaalsContact C-N 3.34Å
169I93.9Very high94.5Very high47 Ų4775.7 Ų75.724%0.24137%0.374CS..Hα-helixtrans-73.1-42.1-176.8-69.3162.9000111.7Y109 L112 C113 R165 L166Y109-I169 HydrophobicContact CD1-CG2 4.42Å; L112-I169 HydrophobicContact CB-CD1 3.9Å; L112-I169 HydrophobicContact CD1-CD1 4.42Å; L112-I169 HydrophobicContact CD1-CG2 3.76Å; C113-I169 VanDerWaalsContact SG-CD1 3.59Å; R165-I169 HydrophobicContact CG-CD1 4.04Å; R165-I169 WeakPolarHBondContact O-CG1 3.42Å; R165-I169 PolarHBondContact O-N 3.45Å; R165-I169 VanDerWaalsContact O-N 3.1Å; L166-I169 PolarHBondContact O-N 3.1Å
170T93.8Very high94.5Very high12 Ų1272.3 Ų72.37%0.07436%0.358CS..Hα-helixtrans-94.5-15.9-171.368.20000113.3Y109 S147 W162 L166 Y172Y109-T170 HydrophobicContact CD1-CG2 4.33Å; Y109-T170 HydrophobicContact CE1-CG2 3.74Å; Y109-T170 HydrophobicContact CE2-CG2 4.18Å; S147-T170 WeakPolarHBondContact OG-CG2 3.42Å; W162-T170 HydrophobicContact CH2-CG2 4.31Å; W162-T170 HydrophobicContact CZ2-CG2 4.49Å; W162-T170 WeakPolarHBondContact CZ2-OG1 3.34Å; L166-T170 VanDerWaalsContact O-CB 3.31Å; L166-T170 WeakPolarHBondContact O-CB 3.34Å; L166-T170 VanDerWaalsContact O-CG2 3.28Å; L166-T170 WeakPolarHBondContact O-CG2 3.43Å; L166-T170 PolarHBondContact O-N 3.43Å; L166-T170 PolarHBondContact O-OG1 3.13Å; T170-Y172 PolarHBondContact O-N 3.09Å; T170-Y172 VanDerWaalsContact O-N 3.12Å; T170-Y172 PolarHBondContact OG1-N 3.34Å
171T94.9Very high94.6Very high115 Ų11566.9 Ų66.971%0.70633%0.333SS*.  trans63.31.1-172.5710000115.6E167E167-T171 WeakPolarHBondContact O-CA 3.47Å; E167-T171 PolarHBondContact O-N 3.01Å
172Y96.4Very high94.7Very high46 Ų4669.7 Ų69.718%0.1835%0.349CS..  trans-89.8135.9177.7-66.7-57.6000112S143 L144 W162 T170 D176 L177S143-Y172 PolarHBondContact OG-OH 3.34Å; L144-Y172 HydrophobicContact CB-CE2 4.4Å; L144-Y172 HydrophobicContact CD1-CD1 4.06Å; L144-Y172 HydrophobicContact CD1-CD2 4.41Å; L144-Y172 HydrophobicContact CD1-CE1 3.92Å; L144-Y172 HydrophobicContact CD1-CE2 4.27Å; L144-Y172 HydrophobicContact CD1-CG 4.31Å; W162-Y172 PolarHBondContact NE1-O 2.86Å; T170-Y172 PolarHBondContact O-N 3.09Å; T170-Y172 VanDerWaalsContact O-N 3.12Å; T170-Y172 PolarHBondContact OG1-N 3.34Å; Y172-D176 HydrophobicContact CD1-CB 4.22Å; Y172-L177 HydrophobicContact CG-CD2 4.3Å
173K95.4Very high94.7Very high109 Ų10972 Ų7247%0.47436%0.36SS..  trans-85.8159.2168.8-60.9-176.2177.1178.80110.2E175 D176 L177K173-E175 PolarHBondContact O-N 2.79Å; K173-E175 VanDerWaalsContact O-N 3.15Å; K173-D176 WeakPolarHBondContact CB-OD2 3.12Å; K173-D176 PolarHBondContact N-OD2 3.43Å; K173-D176 WeakPolarHBondContact O-CB 2.99Å; K173-D176 PolarHBondContact O-N 3.17Å; K173-L177 PolarHBondContact O-N 2.97Å
174L93.1Very high94.7Very high79 Ų7971 Ų7141%0.41435%0.354SS..Hα-helixtrans-57.5-31.1174.6-178.859000112.7M161 W162 D176 L177 K178M161-L174 HydrophobicContact CE-CD1 4.43Å; W162-L174 HydrophobicContact CB-CB 4.27Å; W162-L174 HydrophobicContact CB-CD1 4.13Å; W162-L174 HydrophobicContact CG-CB 4.36Å; L174-D176 VanDerWaalsContact C-N 3.33Å; L174-D176 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 3.48Å; L174-K178 PolarHBondContact O-N 2.89Å
175E94.9Very high94.7Very high160 Ų16067.8 Ų67.875%0.74833%0.333SS*.Hα-helixtrans-63.3-37.9176.1-65.9177.2177.600112.4K173 L177 K178K173-E175 PolarHBondContact O-N 2.79Å; K173-E175 VanDerWaalsContact O-N 3.15Å; E175-L177 VanDerWaalsContact C-N 3.29Å; E175-L177 PolarHBondContact O-N 3.41Å; E175-K178 WeakPolarHBondContact O-CB 3.43Å; E175-K178 PolarHBondContact O-N 2.88Å
176D94.9Very high94.7Very high82 Ų8267.7 Ų67.744%0.43934%0.338SS..Hα-helixtrans-67.3-33.4178.4-54.6-42.7000111.1Y172 K173 L174Y172-D176 HydrophobicContact CD1-CB 4.22Å; K173-D176 WeakPolarHBondContact CB-OD2 3.12Å; K173-D176 PolarHBondContact N-OD2 3.43Å; K173-D176 WeakPolarHBondContact O-CB 2.99Å; K173-D176 PolarHBondContact O-N 3.17Å; L174-D176 VanDerWaalsContact C-N 3.33Å; L174-D176 PolarHBondContact O-N 3.48Å
177L95.4Very high94.6Very high0 Ų067.7 Ų67.70%034%0.338CS..Hα-helixtrans-81.2-18.5-178.5-54-176.6000113.3L144 A151 W162 Y172 K173 L174 E175 T179 V180 V181L144-L177 HydrophobicContact CD1-CD2 3.57Å; A151-L177 HydrophobicContact CB-CD1 4.08Å; W162-L177 HydrophobicContact CD2-CD1 3.78Å; W162-L177 HydrophobicContact CE3-CD1 3.66Å; W162-L177 HydrophobicContact CH2-CD1 3.65Å; W162-L177 HydrophobicContact CZ2-CD1 3.72Å; W162-L177 HydrophobicContact CZ3-CD1 3.6Å; Y172-L177 HydrophobicContact CG-CD2 4.3Å; K173-L177 PolarHBondContact O-N 2.97Å; L174-L177 PolarHBondContact O-N 3.48Å; E175-L177 VanDerWaalsContact C-N 3.29Å; E175-L177 PolarHBondContact O-N 3.41Å; L177-T179 VanDerWaalsContact C-N 3.34Å; L177-T179 PolarHBondContact O-N 2.81Å; L177-V180 PolarHBondContact O-N 2.77Å; L177-V180 VanDerWaalsContact O-N 3.12Å; L177-V181 HydrophobicContact CB-CG2 4.03Å; L177-V181 WeakPolarHBondContact O-CG2 3.46Å; L177-V181 PolarHBondContact O-N 3.13Å
178K94.7Very high94.3Very high136 Ų13666.4 Ų66.459%0.59133%0.332SS*.Hα-helixtrans-51.1-49.1-166.6-177.7178.8178.3-1800113.1L174 E175 V181 L182L174-K178 PolarHBondContact O-N 2.89Å; E175-K178 WeakPolarHBondContact O-CB 3.43Å; E175-K178 PolarHBondContact O-N 2.88Å; K178-V181 PolarHBondContact O-N 3.19Å; K178-L182 HydrophobicContact CG-CD1 4.25Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.23Å; K178-L182 PolarHBondContact O-N 3.27Å
179T95.4Very high94Very high75 Ų7566.9 Ų66.946%0.4633%0.332SS..Hα-helixtrans-64-46.9-177.3-53.60000111.4L177 L182 H183L177-T179 VanDerWaalsContact C-N 3.34Å; L177-T179 PolarHBondContact O-N 2.81Å; T179-L182 PolarHBondContact O-N 3.3Å; T179-H183 PolarHBondContact O-N 3.19Å; T179-H183 VanDerWaalsContact O-N 3.14Å
180V95.8Very high93.7Very high1 Ų166.2 Ų66.21%0.00633%0.33CS..Hα-helixtrans-66.2-42.4-179.3-174.20000110.7Y140 L144 M145 A148 L177 L182 H183 L184Y140-V180 HydrophobicContact CD1-CG2 3.58Å; Y140-V180 HydrophobicContact CD2-CG1 4.47Å; Y140-V180 HydrophobicContact CD2-CG2 4.02Å; Y140-V180 HydrophobicContact CE1-CG2 3.54Å; Y140-V180 HydrophobicContact CE2-CG2 4.03Å; Y140-V180 HydrophobicContact CG-CG2 3.83Å; L144-V180 HydrophobicContact CD2-CG2 3.82Å; L144-V180 HydrophobicContact CG-CG2 4.09Å; M145-V180 HydrophobicContact CE-CG1 4.19Å; M145-V180 HydrophobicContact SD-CG1 3.51Å; M145-V180 VanDerWaalsContact SD-CG1 3.51Å; A148-V180 HydrophobicContact CB-CB 3.69Å; A148-V180 HydrophobicContact CB-CG1 3.44Å; A148-V180 VanDerWaalsContact CB-CG1 3.44Å; L177-V180 PolarHBondContact O-N 2.77Å; L177-V180 VanDerWaalsContact O-N 3.12Å; V180-L182 VanDerWaalsContact C-N 3.31Å; V180-L182 PolarHBondContact O-N 2.72Å; V180-H183 PolarHBondContact O-N 2.92Å; V180-L184 HydrophobicContact CG1-CD1 3.96Å; V180-L184 HydrophobicContact CG1-CG 4.26Å; V180-L184 WeakPolarHBondContact O-CB 3.49Å; V180-L184 WeakPolarHBondContact O-CG 3.24Å; V180-L184 PolarHBondContact O-N 3.43Å
181V95.9Very high93.1Very high15 Ų1565.7 Ų65.79%0.09133%0.327CS..Hα-helixtrans-60.9-39.6177.1170.80000111.6A148 A151 L152 M161 L177 K178 L184 C185A148-V181 HydrophobicContact CB-CG2 3.86Å; A151-V181 HydrophobicContact CB-CG2 4.21Å; L152-V181 HydrophobicContact CB-CG1 4.43Å; L152-V181 HydrophobicContact CD1-CG1 4.38Å; M161-V181 HydrophobicContact CE-CG1 4.17Å; L177-V181 HydrophobicContact CB-CG2 4.03Å; L177-V181 WeakPolarHBondContact O-CG2 3.46Å; L177-V181 PolarHBondContact O-N 3.13Å; K178-V181 PolarHBondContact O-N 3.19Å; V181-L184 PolarHBondContact O-N 3.28Å; V181-C185 VanDerWaalsContact O-CB 3.23Å; V181-C185 WeakPolarHBondContact O-CB 3.38Å; V181-C185 PolarHBondContact O-N 3.33Å
182L94.8Very high92Very high109 Ų10967.9 Ų67.957%0.57133%0.327SS*.Hα-helixtrans-65.8-42.9177-72.7173.1000112K178 T179 V180 C185 H186K178-L182 HydrophobicContact CG-CD1 4.25Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.23Å; K178-L182 PolarHBondContact O-N 3.27Å; T179-L182 PolarHBondContact O-N 3.3Å; V180-L182 VanDerWaalsContact C-N 3.31Å; V180-L182 PolarHBondContact O-N 2.72Å; L182-C185 PolarHBondContact O-N 2.92Å; L182-H186 PolarHBondContact O-N 3.47Å
183H94.8Very high90.7Very high68 Ų6873.3 Ų73.332%0.31535%0.354SS..Hα-helixtrans-61.8-49.6173.7-65.7157.4000111.3T136 Y137 Y140 T179 V180 C185 H186 T187T136-H183 HydrophobicContact CG2-CB 3.96Å; Y137-H183 HydrophobicContact CE1-CB 3.9Å; Y137-H183 PolarHBondContact OH-O 2.9Å; Y137-H183 VanDerWaalsContact OH-O 3.14Å; Y140-H183 PolarHBondContact OH-CE1 3.31Å; Y140-H183 PolarHBondContact OH-ND1 2.93Å; T179-H183 PolarHBondContact O-N 3.19Å; T179-H183 VanDerWaalsContact O-N 3.14Å; V180-H183 PolarHBondContact O-N 2.92Å; H183-C185 VanDerWaalsContact C-N 3.27Å; H183-C185 PolarHBondContact O-N 3.34Å; H183-H186 WeakPolarHBondContact O-CA 3.29Å; H183-H186 WeakPolarHBondContact O-CB 3.35Å; H183-H186 PolarHBondContact O-N 3.47Å; H183-T187 PolarHBondContact O-N 3.15Å; H183-T187 PolarHBondContact O-OG1 3.04Å
184L94.3Very high89.4Confident3 Ų371 Ų712%0.01635%0.347CS..Hα-helixtrans-59.6-37.9177.8-71.9173.2000112I126 Y137 M145 A148 L152 V180 V181 H186 T187 H188I126-L184 HydrophobicContact CG2-CB 4.17Å; I126-L184 HydrophobicContact CG2-CD1 4.06Å; I126-L184 HydrophobicContact CG2-CD2 3.99Å; I126-L184 HydrophobicContact CG2-CG 4.31Å; Y137-L184 HydrophobicContact CE1-CD2 3.77Å; Y137-L184 HydrophobicContact CE1-CG 4.08Å; Y137-L184 WeakPolarHBondContact OH-CA 3.25Å; Y137-L184 PolarHBondContact OH-N 2.97Å; M145-L184 HydrophobicContact CE-CD2 4.04Å; A148-L184 HydrophobicContact CB-CD1 3.86Å; L152-L184 HydrophobicContact CD2-CB 3.57Å; V180-L184 HydrophobicContact CG1-CD1 3.96Å; V180-L184 HydrophobicContact CG1-CG 4.26Å; V180-L184 WeakPolarHBondContact O-CB 3.49Å; V180-L184 WeakPolarHBondContact O-CG 3.24Å; V180-L184 PolarHBondContact O-N 3.43Å; V181-L184 PolarHBondContact O-N 3.28Å; L184-H186 VanDerWaalsContact C-N 3.35Å; L184-T187 PolarHBondContact O-N 3.07Å; L184-H188 WeakPolarHBondContact O-CB 3.34Å; L184-H188 PolarHBondContact O-N 3.49Å
185C93.8Very high87.9Confident34 Ų3475 Ų7523%0.2337%0.368CS..Hα-helixtrans-65-40.1175.7-174.70000111.6L152 V181 L182 H183 K189L152-C185 HydrophobicContact CD1-CB 4.16Å; L152-C185 HydrophobicContact CD2-CB 4.35Å; V181-C185 VanDerWaalsContact O-CB 3.23Å; V181-C185 WeakPolarHBondContact O-CB 3.38Å; V181-C185 PolarHBondContact O-N 3.33Å; L182-C185 PolarHBondContact O-N 2.92Å; H183-C185 VanDerWaalsContact C-N 3.27Å; H183-C185 PolarHBondContact O-N 3.34Å; C185-K189 VanDerWaalsContact O-CG 3.32Å; C185-K189 WeakPolarHBondContact O-CG 3.34Å; C185-K189 PolarHBondContact O-N 3.35Å; C185-K189 VanDerWaalsContact O-N 3.15Å
186H92.7Very high86.4Confident118 Ų11868.8 Ų68.855%0.54634%0.341SS..Hα-helixtrans-63.5-53.7174.6-177.971.5000110.9L182 H183 L184 H188 K189 T190L182-H186 PolarHBondContact O-N 3.47Å; H183-H186 WeakPolarHBondContact O-CA 3.29Å; H183-H186 WeakPolarHBondContact O-CB 3.35Å; H183-H186 PolarHBondContact O-N 3.47Å; L184-H186 VanDerWaalsContact C-N 3.35Å; H186-H188 VanDerWaalsContact C-N 3.31Å; H186-H188 PolarHBondContact O-N 2.96Å; H186-K189 WeakPolarHBondContact O-CB 3.18Å; H186-K189 PolarHBondContact O-N 3.44Å; H186-T190 PolarHBondContact O-N 3.49Å; H186-T190 PolarHBondContact O-OG1 2.81Å; H186-T190 VanDerWaalsContact O-OG1 3.09Å
187T91.6Very high85.5Confident3 Ų369.3 Ų69.32%0.01834%0.341CS..Hα-helixtrans-57-42.1177.6-62.20000111.7L129 E133 Y137 H183 L184 K189 T190 A191L129-T187 HydrophobicContact CB-CG2 4.09Å; E133-T187 WeakPolarHBondContact OE1-CG2 3.47Å; E133-T187 PolarHBondContact OE1-OG1 3.33Å; E133-T187 PolarHBondContact OE2-OG1 3.42Å; Y137-T187 WeakPolarHBondContact OH-CB 3.37Å; Y137-T187 PolarHBondContact OH-OG1 3.17Å; H183-T187 PolarHBondContact O-N 3.15Å; H183-T187 PolarHBondContact O-OG1 3.04Å; L184-T187 PolarHBondContact O-N 3.07Å; T187-K189 VanDerWaalsContact C-N 3.32Å; T187-K189 PolarHBondContact O-N 3.5Å; T187-T190 WeakPolarHBondContact CA-OG1 3.47Å; T187-T190 PolarHBondContact O-N 3.19Å; T187-T190 PolarHBondContact O-OG1 2.97Å; T187-A191 VanDerWaalsContact O-CB 3.28Å; T187-A191 WeakPolarHBondContact O-CB 3.4Å; T187-A191 PolarHBondContact O-N 2.88Å
188H90Very high84.7Confident51 Ų5169.8 Ų69.824%0.23635%0.345CS..Hα-helixtrans-62.6-37.4177.1-179.981.9000112.8Y125 L184 H186Y125-H188 AromaticContact CE1-CE1 3.76Å; Y125-H188 AromaticContact CE1-ND1 3.65Å; L184-H188 WeakPolarHBondContact O-CB 3.34Å; L184-H188 PolarHBondContact O-N 3.49Å; H186-H188 VanDerWaalsContact C-N 3.31Å; H186-H188 PolarHBondContact O-N 2.96Å
189K88.4Confident84Confident142 Ų14263.5 Ų63.562%0.61732%0.318SS*.Hα-helixtrans-70.9-44.1177.2-74.5171.6-179.4172.90111.8C185 H186 T187 A191C185-K189 VanDerWaalsContact O-CG 3.32Å; C185-K189 WeakPolarHBondContact O-CG 3.34Å; C185-K189 PolarHBondContact O-N 3.35Å; C185-K189 VanDerWaalsContact O-N 3.15Å; H186-K189 WeakPolarHBondContact O-CB 3.18Å; H186-K189 PolarHBondContact O-N 3.44Å; T187-K189 VanDerWaalsContact C-N 3.32Å; T187-K189 PolarHBondContact O-N 3.5Å; K189-A191 VanDerWaalsContact C-N 3.32Å
190T86.4Confident83.4Confident32 Ų3262.9 Ų62.920%0.19631%0.307CS..Hα-helixtrans-78-16.4-178.955.70000113H186 T187 K192 E193 L194H186-T190 PolarHBondContact O-N 3.49Å; H186-T190 PolarHBondContact O-OG1 2.81Å; H186-T190 VanDerWaalsContact O-OG1 3.09Å; T187-T190 WeakPolarHBondContact CA-OG1 3.47Å; T187-T190 PolarHBondContact O-N 3.19Å; T187-T190 PolarHBondContact O-OG1 2.97Å; T190-K192 PolarHBondContact O-N 3.49Å; T190-E193 WeakPolarHBondContact O-CB 3.31Å; T190-E193 PolarHBondContact O-N 3.34Å; T190-L194 PolarHBondContact O-N 3.18Å
191A81.3Confident82.7Confident2 Ų267.3 Ų67.32%0.01733%0.327CS..THydrogen-bonded Turntrans-54.5-24.717700000113.6L129 T187 K189 E193 R200L129-A191 HydrophobicContact CD1-CB 4.08Å; L129-A191 HydrophobicContact CD2-CB 4.12Å; T187-A191 VanDerWaalsContact O-CB 3.28Å; T187-A191 WeakPolarHBondContact O-CB 3.4Å; T187-A191 PolarHBondContact O-N 2.88Å; K189-A191 VanDerWaalsContact C-N 3.32Å; A191-E193 VanDerWaalsContact C-N 3.26Å; A191-E193 PolarHBondContact O-N 3.37Å; A191-R200 WeakPolarHBondContact O-CD 3.39Å; A191-R200 PolarHBondContact O-NH1 2.94Å
192K71.5Confident82.1Confident160 Ų16067.6 Ų67.670%0.69633%0.328SS*.THydrogen-bonded Turntrans-68.1-25.8174.7-68.9-172.8-178.3-179.10113.9T190 R200T190-K192 PolarHBondContact O-N 3.49Å; K192-R200 PolarHBondContact O-NH1 3.19Å
193E69.6Low81.6Confident160 Ų16065.2 Ų65.275%0.74831%0.311SS*.THydrogen-bonded Turntrans-102.8-9.3-172.2-59.7174.5-179.600112.5T190 A191T190-E193 WeakPolarHBondContact O-CB 3.31Å; T190-E193 PolarHBondContact O-N 3.34Å; A191-E193 VanDerWaalsContact C-N 3.26Å; A191-E193 PolarHBondContact O-N 3.37Å
194L68.1Low80.8Confident62 Ų6267.7 Ų67.733%0.32533%0.327SS..  trans-71.6141.5179-69.9174.1000111.6T190 T196T190-L194 PolarHBondContact O-N 3.18Å; L194-T196 PolarHBondContact O-N 2.99Å
195N61.7Low79.7Confident163 Ų16374.1 Ų74.187%0.87235%0.351SS*.SBendtrans-70.8-20.6174.4-70.8-20.5000112.9
196T62.3Low77.5Confident29 Ų2980.9 Ų80.918%0.17839%0.385CS..  trans-86.7105.8177.448.70000109.4D7 M132 L194D7-T196 HydrophobicContact CB-CG2 3.82Å; D7-T196 VanDerWaalsContact CG-CB 3.43Å; D7-T196 VanDerWaalsContact OD1-CB 3.31Å; D7-T196 WeakPolarHBondContact OD1-CB 3.48Å; D7-T196 WeakPolarHBondContact OD2-CA 3.49Å; D7-T196 WeakPolarHBondContact OD2-CB 3.32Å; M132-T196 VanDerWaalsContact CE-CB 3.48Å; M132-T196 HydrophobicContact CE-CG2 3.72Å; L194-T196 PolarHBondContact O-N 2.99Å
197Q76.7Confident75.3Confident93 Ų9383.9 Ų83.944%0.43541%0.412SS..  trans-111.7-10.3-168.7-63.2-171.1-100113.8M199 R200 E201Q197-M199 VanDerWaalsContact C-N 3.29Å; Q197-M199 PolarHBondContact O-N 3.2Å; Q197-R200 WeakPolarHBondContact O-CA 3.28Å; Q197-R200 WeakPolarHBondContact O-CB 3.5Å; Q197-R200 PolarHBondContact O-N 3.44Å; Q197-E201 PolarHBondContact O-N 3.43Å
198A78.9Confident74.5Confident9 Ų988 Ų887%0.07443%0.431CS..Hα-helixtrans-55.9-43.7-173.700000112.3D7 V10 E11 R200 E201 K202D7-A198 WeakPolarHBondContact OD1-CB 3.25Å; D7-A198 PolarHBondContact OD1-N 3.28Å; V10-A198 HydrophobicContact CB-CB 4.14Å; V10-A198 HydrophobicContact CG1-CB 4.01Å; E11-A198 HydrophobicContact CG-CB 3.66Å; A198-R200 VanDerWaalsContact C-N 3.3Å; A198-R200 PolarHBondContact O-N 3.35Å; A198-E201 PolarHBondContact O-N 3.34Å; A198-K202 WeakPolarHBondContact O-CB 3.42Å; A198-K202 PolarHBondContact O-N 2.98Å
199M80.1Confident73.6Confident5 Ų589.9 Ų89.93%0.02544%0.442CS..Hα-helixtrans-59.6-36.7175.6-72.5-66-158.800113.4V10 L23 E128 L129 L131 M132 Q197 Y203V10-M199 HydrophobicContact CB-SD 4.23Å; V10-M199 HydrophobicContact CG1-CG 4.35Å; V10-M199 HydrophobicContact CG1-SD 3.79Å; V10-M199 HydrophobicContact CG2-CE 3.18Å; V10-M199 HydrophobicContact CG2-CG 3.9Å; V10-M199 HydrophobicContact CG2-SD 3.36Å; V10-M199 WeakPolarHBondContact CG2-SD 3.42Å; L23-M199 HydrophobicContact CD2-CE 4.15Å; E128-M199 HydrophobicContact CB-CE 3.87Å; E128-M199 HydrophobicContact CB-SD 3.89Å; E128-M199 HydrophobicContact CG-CE 4.44Å; E128-M199 WeakPolarHBondContact O-CE 3.16Å; E128-M199 VanDerWaalsContact OE2-SD 3.4Å; L129-M199 HydrophobicContact CD2-CB 4.42Å; L131-M199 HydrophobicContact CD1-CE 4.33Å; M132-M199 HydrophobicContact CG-CG 4.43Å; M132-M199 HydrophobicContact SD-CE 4.43Å; M132-M199 HydrophobicContact SD-CG 4.31Å; Q197-M199 VanDerWaalsContact C-N 3.29Å; Q197-M199 PolarHBondContact O-N 3.2Å; M199-Y203 WeakPolarHBondContact O-CD2 3.47Å
200R81.8Confident72.8Confident62 Ų6287 Ų8723%0.23443%0.432CS..Hα-helixtrans-77.1-38.5179.3-72.717958.5-146.3-6.3111.3Y125 A191 K192 Q197 A198 Y203 N204Y125-R200 HydrophobicContact CE2-CG 4.2Å; A191-R200 WeakPolarHBondContact O-CD 3.39Å; A191-R200 PolarHBondContact O-NH1 2.94Å; K192-R200 PolarHBondContact O-NH1 3.19Å; Q197-R200 WeakPolarHBondContact O-CA 3.28Å; Q197-R200 WeakPolarHBondContact O-CB 3.5Å; Q197-R200 PolarHBondContact O-N 3.44Å; A198-R200 VanDerWaalsContact C-N 3.3Å; A198-R200 PolarHBondContact O-N 3.35Å; R200-Y203 PolarHBondContact O-N 3.14Å; R200-N204 WeakPolarHBondContact O-CB 3.43Å; R200-N204 VanDerWaalsContact O-CG 3.22Å; R200-N204 PolarHBondContact O-N 3.2Å; R200-N204 VanDerWaalsContact O-N 3.11Å; R200-N204 PolarHBondContact O-ND2 3.34Å; R200-N204 VanDerWaalsContact O-ND2 3.13Å
201E81.6Confident72Confident94 Ų9490.2 Ų90.244%0.43945%0.446SS..Hα-helixtrans-64.6-41.9177-68.9-176.8-178.400111.4Q197 A198 Y203 N204 R205Q197-E201 PolarHBondContact O-N 3.43Å; A198-E201 PolarHBondContact O-N 3.34Å; E201-Y203 VanDerWaalsContact C-N 3.33Å; E201-Y203 PolarHBondContact O-N 3.45Å; E201-N204 PolarHBondContact O-N 3.28Å; E201-R205 WeakPolarHBondContact O-CG 3.36Å; E201-R205 PolarHBondContact O-N 2.85Å
202K84.1Confident71.4Confident21 Ų2195.8 Ų95.89%0.09147%0.473CS..Hα-helixtrans-48.8-52.3172.8173.6176.1178.5-172.30111.9V10 E14 T20 E128 A198 N204 R205V10-K202 HydrophobicContact CG1-CD 4.31Å; E14-K202 HydrophobicContact CG-CB 4.41Å; E14-K202 HydrophobicContact CG-CD 4.26Å; E14-K202 HydrophobicContact CG-CG 4.31Å; E14-K202 VanDerWaalsContact OE1-CD 3.26Å; E14-K202 WeakPolarHBondContact OE1-CD 3.45Å; E14-K202 WeakPolarHBondContact OE1-CE 3.1Å; E14-K202 WeakPolarHBondContact OE1-CG 3.36Å; E14-K202 IonicContact OE1-NZ 3.42Å; T20-K202 PolarHBondContact OG1-NZ 3.3Å; E128-K202 VanDerWaalsContact CD-NZ 3.35Å; E128-K202 IonicContact OE1-NZ 3.77Å; E128-K202 PolarHBondContact OE1-NZ 2.99Å; E128-K202 VanDerWaalsContact OE1-NZ 3.11Å; E128-K202 IonicContact OE2-NZ 3.99Å; E128-K202 PolarHBondContact OE2-NZ 3.43Å; A198-K202 WeakPolarHBondContact O-CB 3.42Å; A198-K202 PolarHBondContact O-N 2.98Å; K202-N204 PolarHBondContact O-N 3.1Å; K202-R205 PolarHBondContact O-N 2.85Å
203Y83.1Confident71.4Confident58 Ų5891.5 Ų91.523%0.22746%0.458CS..Hα-helixtrans-84.7-4.5-176.2-78.2-90.6000115.3Y121 L124 Y125 E128 M199 R200 E201Y121-Y203 WeakPolarHBondContact O-CE1 3.49Å; L124-Y203 HydrophobicContact CB-CE1 4.25Å; L124-Y203 WeakPolarHBondContact CB-OH 3.31Å; Y125-Y203 HydrophobicContact CD2-CD1 4.45Å; Y125-Y203 AromaticContact CD2-CD2 3.69Å; Y125-Y203 HydrophobicContact CD2-CD2 3.69Å; Y125-Y203 HydrophobicContact CD2-CE2 4.31Å; Y125-Y203 AromaticContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CG-CD1 4.45Å; Y125-Y203 HydrophobicContact CG-CD2 4.4Å; Y125-Y203 HydrophobicContact CG-CG 4.18Å; E128-Y203 PolarHBondContact OE1-OH 3.42Å; M199-Y203 WeakPolarHBondContact O-CD2 3.47Å; R200-Y203 PolarHBondContact O-N 3.14Å; E201-Y203 VanDerWaalsContact C-N 3.33Å; E201-Y203 PolarHBondContact O-N 3.45Å
204N79.1Confident71.6Confident121 Ų12186.6 Ų86.665%0.64744%0.437SS*.Hα-helixtrans-92.5-10.4171.8-77.5-28.7000112.7R200 E201 K202R200-N204 WeakPolarHBondContact O-CB 3.43Å; R200-N204 VanDerWaalsContact O-CG 3.22Å; R200-N204 PolarHBondContact O-N 3.2Å; R200-N204 VanDerWaalsContact O-N 3.11Å; R200-N204 PolarHBondContact O-ND2 3.34Å; R200-N204 VanDerWaalsContact O-ND2 3.13Å; E201-N204 PolarHBondContact O-N 3.28Å; K202-N204 PolarHBondContact O-N 3.1Å
205R70.3Confident71.8Confident138 Ų13888.5 Ų88.552%0.52145%0.446SS..SBendtrans-75.1128.4176.4-70.3167.7-171.9-169.31.1108.7E14 E201 K202 T207E14-R205 IonicContact OE2-NH1 3.38Å; E201-R205 WeakPolarHBondContact O-CG 3.36Å; E201-R205 PolarHBondContact O-N 2.85Å; K202-R205 PolarHBondContact O-N 2.85Å; R205-T207 VanDerWaalsContact C-N 3.27Å; R205-T207 PolarHBondContact O-N 2.9Å
206D48.4Very low72.7Confident175 Ų17582.3 Ų82.394%0.93641%0.41SS*.  trans-69.984.5172.8-70.2-41.4000109
207T46Very low73.6Confident182 Ų18287.1 Ų87.1100%1.11743%0.431SS*.  trans-122.10167.448.40000109.8R205R205-T207 VanDerWaalsContact C-N 3.27Å; R205-T207 PolarHBondContact O-N 2.9Å

Retrieved 207 of 207 residues in 122.4 ms (Link to these results)

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