A0A075BHY7_DROME Loading...

Cyclin A

AlphaFold DB , UniProt , Accession A0A075BHY7, Species DROME (Drosophila melanogaster, Fruit fly), Gene CycA, Length 207 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M84.8Confident91.9Very high124 Ų12448.4 Ų48.461%0.61124%0.24SC*.  0-50.20-68.7-169-64.600111.2I4 L5 R41 L44M1-I4 PolarHBondContact O-N 3.39Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-R41 HydrophobicContact SD-CB 3.92Å; M1-R41 WeakPolarHBondContact SD-CD 3.38Å; M1-R41 HydrophobicContact SD-CG 3.51Å; M1-R41 VanDerWaalsContact SD-CG 3.51Å; M1-L44 HydrophobicContact CB-CD2 4.01Å
2R90.5Very high92Very high46 Ų4644.7 Ų44.717%0.17422%0.222CC..Hα-helixtrans-55.6-48.8172.5-179.3-176.6171.5-77.80.4112.9I4 L5 I6 D31 L131 G134R2-I4 VanDerWaalsContact C-N 3.33Å; R2-I4 PolarHBondContact O-N 3.39Å; R2-L5 WeakPolarHBondContact O-CB 3.38Å; R2-L5 PolarHBondContact O-N 3.11Å; R2-I6 HydrophobicContact CG-CD1 3.8Å; R2-I6 HydrophobicContact CG-CG1 4.38Å; R2-I6 WeakPolarHBondContact O-CG1 3.34Å; R2-I6 PolarHBondContact O-N 3.19Å; R2-D31 WeakPolarHBondContact CD-OD1 3.27Å; R2-D31 IonicContact CZ-OD1 3.8Å; R2-D31 IonicContact CZ-OD2 3.77Å; R2-D31 IonicContact NE-OD1 3.56Å; R2-D31 PolarHBondContact NE-OD1 3.28Å; R2-D31 IonicContact NE-OD2 3.42Å; R2-D31 PolarHBondContact NE-OD2 3.11Å; R2-D31 IonicContact NH2-OD1 3.97Å; R2-D31 IonicContact NH2-OD2 2.92Å; R2-D31 PolarHBondContact NH2-OD2 3.44Å; R2-L131 PolarHBondContact NH1-O 3.31Å; R2-L131 PolarHBondContact NH2-O 2.98Å; R2-G134 VanDerWaalsContact NH1-CA 3.33Å; R2-G134 VanDerWaalsContact NH1-N 3.13Å
3S89.9Confident92.2Very high51 Ų5141.4 Ų41.436%0.35721%0.206SC..Hα-helixtrans-54-45.9176.750.70000113L5 I6 D7 M132S3-L5 VanDerWaalsContact C-N 3.33Å; S3-L5 PolarHBondContact O-N 3.18Å; S3-I6 PolarHBondContact O-N 3.05Å; S3-D7 PolarHBondContact O-N 3.15Å; S3-M132 WeakPolarHBondContact O-CE 3.43Å
4I90.9Very high92.2Very high120 Ų12042.2 Ų42.262%0.61521%0.209SC*.Hα-helixtrans-60.6-42.2176.2-59.6169.8000111.3M1 R2 W8M1-I4 PolarHBondContact O-N 3.39Å; R2-I4 VanDerWaalsContact C-N 3.33Å; R2-I4 PolarHBondContact O-N 3.39Å; I4-W8 PolarHBondContact O-N 3.5Å; I4-W8 VanDerWaalsContact O-N 3.16Å
5L93.4Very high92.2Very high13 Ų1348.9 Ų48.97%0.06824%0.239CC..Hα-helixtrans-64.8-41.7177177.763.8000111.4M1 R2 S3 W8 L9 L30 L44M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 VanDerWaalsContact O-N 3.13Å; R2-L5 WeakPolarHBondContact O-CB 3.38Å; R2-L5 PolarHBondContact O-N 3.11Å; S3-L5 VanDerWaalsContact C-N 3.33Å; S3-L5 PolarHBondContact O-N 3.18Å; L5-W8 HydrophobicContact CD1-CE3 3.78Å; L5-W8 HydrophobicContact CD1-CZ3 4.21Å; L5-W8 PolarHBondContact O-N 2.92Å; L5-L9 HydrophobicContact CD1-CG 4.49Å; L5-L9 HydrophobicContact CG-CD1 4.33Å; L5-L9 HydrophobicContact CG-CG 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 3.22Å; L5-L30 HydrophobicContact CD2-CD1 4.01Å; L5-L30 HydrophobicContact CD2-CD2 3.62Å; L5-L30 HydrophobicContact CD2-CG 4.49Å; L5-L30 HydrophobicContact CG-CD2 4.44Å; L5-L44 HydrophobicContact CD2-CD1 4.07Å; L5-L44 HydrophobicContact CD2-CG 3.84Å
6I93.9Very high92.2Very high0 Ų049.3 Ų49.30%024%0.238CC..Hα-helixtrans-69.1-39.8-179.1-66.3176000111.3R2 S3 W8 L9 V10 V27 L131 M132 M199R2-I6 HydrophobicContact CG-CD1 3.8Å; R2-I6 HydrophobicContact CG-CG1 4.38Å; R2-I6 WeakPolarHBondContact O-CG1 3.34Å; R2-I6 PolarHBondContact O-N 3.19Å; S3-I6 PolarHBondContact O-N 3.05Å; I6-W8 VanDerWaalsContact C-N 3.29Å; I6-W8 PolarHBondContact O-N 2.82Å; I6-L9 WeakPolarHBondContact O-CB 3.5Å; I6-L9 PolarHBondContact O-N 3.38Å; I6-L9 VanDerWaalsContact O-N 3.1Å; I6-V10 WeakPolarHBondContact O-CG2 3.48Å; I6-V10 PolarHBondContact O-N 3.32Å; I6-V27 HydrophobicContact CD1-CG1 3.84Å; I6-V27 HydrophobicContact CD1-CG2 4.22Å; I6-V27 HydrophobicContact CG1-CG2 4.16Å; I6-V27 HydrophobicContact CG2-CG2 4.19Å; I6-L131 WeakPolarHBondContact CD1-O 3.4Å; I6-L131 HydrophobicContact CG2-CB 4.26Å; I6-M132 HydrophobicContact CB-SD 3.91Å; I6-M132 HydrophobicContact CG2-SD 3.63Å; I6-M199 HydrophobicContact CG2-CE 4.24Å
7D91.8Very high92.2Very high32 Ų3257.3 Ų57.317%0.17127%0.271CS..Hα-helixtrans-55.7-46.9172.7-157.956.3000110.7S3 L9 V10 E11 M132S3-D7 PolarHBondContact O-N 3.15Å; D7-L9 PolarHBondContact O-N 2.82Å; D7-V10 WeakPolarHBondContact O-CB 3.34Å; D7-V10 PolarHBondContact O-N 3Å; D7-V10 VanDerWaalsContact O-N 3.17Å; D7-E11 PolarHBondContact O-N 3.13Å; D7-M132 HydrophobicContact CB-CE 3.67Å; D7-M132 HydrophobicContact CB-SD 4.36Å
8W93.7Very high92.4Very high46 Ų4655 Ų5517%0.17426%0.261CS..Hα-helixtrans-63.5-39174.3177.174.4000113.1I4 L5 I6 V10 E11 V12 Q45 T49 L72 T73I4-W8 PolarHBondContact O-N 3.5Å; I4-W8 VanDerWaalsContact O-N 3.16Å; L5-W8 HydrophobicContact CD1-CE3 3.78Å; L5-W8 HydrophobicContact CD1-CZ3 4.21Å; L5-W8 PolarHBondContact O-N 2.92Å; I6-W8 VanDerWaalsContact C-N 3.29Å; I6-W8 PolarHBondContact O-N 2.82Å; W8-V10 VanDerWaalsContact C-N 3.27Å; W8-V10 PolarHBondContact O-N 2.95Å; W8-E11 WeakPolarHBondContact O-CB 3.41Å; W8-E11 PolarHBondContact O-N 3.28Å; W8-V12 HydrophobicContact CD2-CG2 4.01Å; W8-V12 HydrophobicContact CE3-CG2 4.25Å; W8-V12 HydrophobicContact CH2-CG2 3.95Å; W8-V12 HydrophobicContact CZ2-CG2 3.67Å; W8-V12 HydrophobicContact CZ3-CG2 4.24Å; W8-V12 WeakPolarHBondContact O-CG2 3.49Å; W8-V12 PolarHBondContact O-N 3.43Å; W8-Q45 HydrophobicContact CH2-CG 4.19Å; W8-Q45 HydrophobicContact CZ3-CG 4.16Å; W8-T49 WeakPolarHBondContact CH2-OG1 3.46Å; W8-L72 HydrophobicContact CZ2-CB 4.17Å; W8-T73 HydrophobicContact CH2-CG2 4.08Å; W8-T73 HydrophobicContact CZ2-CG2 4.28Å
9L95.5Very high92.6Very high0 Ų055.3 Ų55.30%026%0.264CS..Hα-helixtrans-63.7-32.6174.8-71.8176.7000112L5 I6 D7 V12 S13 L23 M52L5-L9 HydrophobicContact CD1-CG 4.49Å; L5-L9 HydrophobicContact CG-CD1 4.33Å; L5-L9 HydrophobicContact CG-CG 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 3.22Å; I6-L9 WeakPolarHBondContact O-CB 3.5Å; I6-L9 PolarHBondContact O-N 3.38Å; I6-L9 VanDerWaalsContact O-N 3.1Å; D7-L9 PolarHBondContact O-N 2.82Å; L9-V12 PolarHBondContact O-N 3.33Å; L9-S13 WeakPolarHBondContact O-CB 3.26Å; L9-S13 PolarHBondContact O-N 2.88Å; L9-S13 PolarHBondContact O-OG 3.49Å; L9-L23 HydrophobicContact CB-CD1 4.04Å; L9-M52 HydrophobicContact CB-CE 3.71Å; L9-M52 HydrophobicContact CD2-CB 4.1Å; L9-M52 HydrophobicContact CD2-CE 3.72Å; L9-M52 HydrophobicContact CD2-SD 3.81Å; L9-M52 HydrophobicContact CG-CE 4.18Å; L9-M52 WeakPolarHBondContact O-CE 3.45Å
10V93.9Very high92.7Very high0 Ų053.8 Ų53.80%026%0.258CS..Hα-helixtrans-63.1-47.1172.3174.90000110.1I6 D7 W8 V12 S13 E14 L23 A198 M199 K202I6-V10 WeakPolarHBondContact O-CG2 3.48Å; I6-V10 PolarHBondContact O-N 3.32Å; D7-V10 WeakPolarHBondContact O-CB 3.34Å; D7-V10 PolarHBondContact O-N 3Å; D7-V10 VanDerWaalsContact O-N 3.17Å; W8-V10 VanDerWaalsContact C-N 3.27Å; W8-V10 PolarHBondContact O-N 2.95Å; V10-V12 VanDerWaalsContact C-N 3.32Å; V10-V12 PolarHBondContact O-N 3.25Å; V10-S13 WeakPolarHBondContact CA-OG 3.45Å; V10-S13 PolarHBondContact O-N 3.03Å; V10-S13 VanDerWaalsContact O-N 3.16Å; V10-S13 PolarHBondContact O-OG 3.05Å; V10-E14 WeakPolarHBondContact O-CG 3.31Å; V10-E14 PolarHBondContact O-N 3.41Å; V10-L23 HydrophobicContact CG2-CD1 4.35Å; V10-L23 HydrophobicContact CG2-CD2 3.87Å; V10-A198 HydrophobicContact CB-CB 4.28Å; V10-A198 HydrophobicContact CG1-CB 4.05Å; V10-M199 HydrophobicContact CB-CG 4.42Å; V10-M199 HydrophobicContact CG1-CG 4.03Å; V10-M199 HydrophobicContact CG2-CE 3.44Å; V10-M199 VanDerWaalsContact CG2-CE 3.44Å; V10-M199 HydrophobicContact CG2-CG 3.81Å; V10-K202 HydrophobicContact CG1-CD 4.35Å
11E92.4Very high92.9Very high100 Ų10051.6 Ų51.647%0.46725%0.248SC..Hα-helixtrans-57.4-45.4176.1-63.2174.9178.200111.8D7 W8 S13 E14 E15 A198D7-E11 PolarHBondContact O-N 3.13Å; W8-E11 WeakPolarHBondContact O-CB 3.41Å; W8-E11 PolarHBondContact O-N 3.28Å; E11-S13 VanDerWaalsContact C-N 3.34Å; E11-S13 PolarHBondContact O-N 3.37Å; E11-E14 PolarHBondContact O-N 2.85Å; E11-E15 PolarHBondContact O-N 3.08Å; E11-A198 HydrophobicContact CG-CB 3.59Å
12V93.3Very high93.5Very high4 Ų445.7 Ų45.72%0.02422%0.219CC..Hα-helixtrans-60.3-44.1176.3171.70000111.5W8 L9 V10 E14 E15 Y16 M52 L72W8-V12 HydrophobicContact CD2-CG2 4.01Å; W8-V12 HydrophobicContact CE3-CG2 4.25Å; W8-V12 HydrophobicContact CH2-CG2 3.95Å; W8-V12 HydrophobicContact CZ2-CG2 3.67Å; W8-V12 HydrophobicContact CZ3-CG2 4.24Å; W8-V12 WeakPolarHBondContact O-CG2 3.49Å; W8-V12 PolarHBondContact O-N 3.43Å; L9-V12 PolarHBondContact O-N 3.33Å; V10-V12 VanDerWaalsContact C-N 3.32Å; V10-V12 PolarHBondContact O-N 3.25Å; V12-E14 VanDerWaalsContact C-N 3.28Å; V12-E14 PolarHBondContact O-N 3.17Å; V12-E15 PolarHBondContact O-N 3.2Å; V12-Y16 HydrophobicContact CG1-CD2 4.35Å; V12-Y16 PolarHBondContact O-N 2.86Å; V12-Y16 VanDerWaalsContact O-N 3.15Å; V12-M52 HydrophobicContact CB-SD 4Å; V12-M52 HydrophobicContact CG1-SD 3.44Å; V12-M52 WeakPolarHBondContact CG1-SD 3.48Å; V12-L72 HydrophobicContact CB-CD1 4.31Å; V12-L72 HydrophobicContact CG1-CD1 3.45Å; V12-L72 VanDerWaalsContact CG1-CD1 3.45Å; V12-L72 HydrophobicContact CG2-CD1 3.98Å; V12-L72 HydrophobicContact CG2-CD2 4.22Å
13S94.8Very high93.8Very high2 Ų243.5 Ų43.51%0.01421%0.211CC..Hα-helixtrans-62.4-37.1179.169.70000112.1L9 V10 E11 K17 L18L9-S13 WeakPolarHBondContact O-CB 3.26Å; L9-S13 PolarHBondContact O-N 2.88Å; L9-S13 PolarHBondContact O-OG 3.49Å; V10-S13 WeakPolarHBondContact CA-OG 3.45Å; V10-S13 PolarHBondContact O-N 3.03Å; V10-S13 VanDerWaalsContact O-N 3.16Å; V10-S13 PolarHBondContact O-OG 3.05Å; E11-S13 VanDerWaalsContact C-N 3.34Å; E11-S13 PolarHBondContact O-N 3.37Å; S13-K17 CarbonylContact O-C 3.54Å; S13-K17 WeakPolarHBondContact O-CA 3.29Å; S13-K17 PolarHBondContact O-N 3.28Å; S13-L18 PolarHBondContact O-N 3.49Å
14E92.4Very high94.1Very high53 Ų5341.7 Ų41.725%0.24820%0.196CC..Hα-helixtrans-72.6-40.8177.5-70-68.2115.800112.4V10 E11 V12 Y16 K17 K202 R205V10-E14 WeakPolarHBondContact O-CG 3.31Å; V10-E14 PolarHBondContact O-N 3.41Å; E11-E14 PolarHBondContact O-N 2.85Å; V12-E14 VanDerWaalsContact C-N 3.28Å; V12-E14 PolarHBondContact O-N 3.17Å; E14-Y16 VanDerWaalsContact C-N 3.35Å; E14-Y16 PolarHBondContact O-N 3.25Å; E14-K17 PolarHBondContact O-N 2.89Å; E14-K202 HydrophobicContact CG-CB 4.38Å; E14-K202 HydrophobicContact CG-CD 4.24Å; E14-K202 HydrophobicContact CG-CG 4.31Å; E14-K202 VanDerWaalsContact OE1-CD 3.22Å; E14-K202 WeakPolarHBondContact OE1-CD 3.27Å; E14-K202 WeakPolarHBondContact OE1-CE 3.34Å; E14-K202 WeakPolarHBondContact OE1-CG 3.4Å; E14-K202 IonicContact OE1-NZ 3.61Å; E14-R205 IonicContact OE2-NH1 3.32Å
15E91.6Very high94.4Very high143 Ų14336 Ų3667%0.66817%0.167SC*.Hα-helixtrans-60.8-44.2179-175.263-15800111.5E11 V12E11-E15 PolarHBondContact O-N 3.08Å; V12-E15 PolarHBondContact O-N 3.2Å
16Y91.8Very high94.6Very high55 Ų5535.4 Ų35.422%0.21616%0.164CC..THydrogen-bonded Turntrans-911.3179.3-74.1-83.4000114V12 E14 L18 P64 E68 L72V12-Y16 HydrophobicContact CG1-CD2 4.35Å; V12-Y16 PolarHBondContact O-N 2.86Å; V12-Y16 VanDerWaalsContact O-N 3.15Å; E14-Y16 VanDerWaalsContact C-N 3.35Å; E14-Y16 PolarHBondContact O-N 3.25Å; Y16-L18 PolarHBondContact O-N 3.47Å; Y16-P64 HydrophobicContact CD1-CB 4.08Å; Y16-P64 HydrophobicContact CD1-CG 3.88Å; Y16-P64 HydrophobicContact CE1-CB 4.41Å; Y16-P64 HydrophobicContact CG-CG 4.16Å; Y16-E68 HydrophobicContact CE1-CB 3.82Å; Y16-E68 VanDerWaalsContact CE1-CD 3.47Å; Y16-E68 HydrophobicContact CE1-CG 4.21Å; Y16-E68 WeakPolarHBondContact CE1-OE2 3.46Å; Y16-E68 WeakPolarHBondContact OH-CB 3.31Å; Y16-L72 HydrophobicContact CD2-CD1 3.91Å; Y16-L72 HydrophobicContact CE2-CD1 3.37Å; Y16-L72 HydrophobicContact CE2-CD2 3.69Å; Y16-L72 HydrophobicContact CE2-CG 3.65Å
17K93.1Very high94.8Very high185 Ų18535.5 Ų35.580%0.80417%0.165SC*.THydrogen-bonded Turntrans51.342-177.5-54.4179.3-177.9179.40112.4S13 E14S13-K17 CarbonylContact O-C 3.54Å; S13-K17 WeakPolarHBondContact O-CA 3.29Å; S13-K17 PolarHBondContact O-N 3.28Å; E14-K17 PolarHBondContact O-N 2.89Å
18L95.9Very high94.9Very high16 Ų1636.7 Ų36.78%0.08417%0.168CC..  trans-67.5151.8176.7-56.2-177.7000109.8S13 Y16 T22 M52 E60 P64S13-L18 PolarHBondContact O-N 3.49Å; Y16-L18 PolarHBondContact O-N 3.47Å; L18-T22 HydrophobicContact CB-CG2 4.22Å; L18-T22 HydrophobicContact CD1-CG2 4.03Å; L18-M52 HydrophobicContact CD1-CG 4.2Å; L18-M52 HydrophobicContact CD1-SD 4.08Å; L18-E60 WeakPolarHBondContact CA-OE1 3.33Å; L18-E60 WeakPolarHBondContact CB-OE1 3.49Å; L18-E60 HydrophobicContact CD2-CG 4.13Å; L18-P64 HydrophobicContact CD2-CG 3.87Å
19D95.5Very high95.1Very high61 Ų6134.5 Ų34.533%0.32616%0.16SC..  trans-60.5148.4172.1-161.9-77.8000109.9E21 T22 L23 E60 Y103D19-E21 PolarHBondContact O-N 2.96Å; D19-E21 WeakPolarHBondContact OD1-CB 3.32Å; D19-E21 PolarHBondContact OD1-N 3.28Å; D19-T22 VanDerWaalsContact O-CB 3.25Å; D19-T22 WeakPolarHBondContact O-CB 3.15Å; D19-T22 PolarHBondContact O-N 3.45Å; D19-L23 PolarHBondContact O-N 3.24Å; D19-E60 PolarHBondContact N-OE1 3.42Å; D19-Y103 WeakPolarHBondContact OD1-CE1 3.43Å; D19-Y103 PolarHBondContact OD1-OH 2.95Å
20T95.1Very high95.2Very high24 Ų2434.5 Ų34.515%0.14716%0.16CC..Hα-helixtrans-61.7-32.7175.3-65.60000110.6T22 L23 Y24 Y103 E128 K202T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 3.09Å; T20-L23 WeakPolarHBondContact O-CB 3.23Å; T20-L23 PolarHBondContact O-N 3.09Å; T20-L23 VanDerWaalsContact O-N 3.11Å; T20-Y24 HydrophobicContact CG2-CD2 3.8Å; T20-Y24 HydrophobicContact CG2-CE2 3.6Å; T20-Y24 WeakPolarHBondContact O-CD2 3.41Å; T20-Y24 PolarHBondContact O-N 3.4Å; T20-Y24 VanDerWaalsContact O-N 3.1Å; T20-Y103 HydrophobicContact CG2-CD2 3.56Å; T20-Y103 HydrophobicContact CG2-CE2 3.81Å; T20-Y103 HydrophobicContact CG2-CG 4.3Å; T20-E128 VanDerWaalsContact CG2-OE1 3.31Å; T20-E128 WeakPolarHBondContact CG2-OE1 3.27Å; T20-K202 PolarHBondContact OG1-NZ 2.86Å
21E96.4Very high95.3Very high9 Ų935.2 Ų35.24%0.04216%0.164CC..Hα-helixtrans-57.7-41.3172.9-175.861.6-178.700112.3D19 L23 Y24 L25 E59 T101 Y103 V104D19-E21 PolarHBondContact O-N 2.96Å; D19-E21 WeakPolarHBondContact OD1-CB 3.32Å; D19-E21 PolarHBondContact OD1-N 3.28Å; E21-L23 VanDerWaalsContact C-N 3.27Å; E21-L23 PolarHBondContact O-N 2.89Å; E21-Y24 PolarHBondContact O-N 2.76Å; E21-Y24 VanDerWaalsContact O-N 3.09Å; E21-L25 HydrophobicContact CG-CD1 4.02Å; E21-L25 HydrophobicContact CG-CG 4.27Å; E21-L25 WeakPolarHBondContact O-CG 3.41Å; E21-L25 PolarHBondContact O-N 3.4Å; E21-E59 HydrophobicContact CB-CG 3.98Å; E21-E59 HydrophobicContact CG-CG 3.9Å; E21-T101 VanDerWaalsContact CD-OG1 3.24Å; E21-T101 WeakPolarHBondContact OE1-CG2 3.41Å; E21-T101 PolarHBondContact OE1-OG1 3.18Å; E21-T101 VanDerWaalsContact OE1-OG1 3.11Å; E21-T101 WeakPolarHBondContact OE2-CB 3.28Å; E21-T101 PolarHBondContact OE2-OG1 2.94Å; E21-Y103 HydrophobicContact CB-CD1 3.66Å; E21-Y103 HydrophobicContact CB-CE1 3.72Å; E21-Y103 HydrophobicContact CG-CD1 4.35Å; E21-Y103 WeakPolarHBondContact OE2-CB 3.41Å; E21-Y103 WeakPolarHBondContact OE2-CD1 3.39Å; E21-V104 WeakPolarHBondContact OE1-CG2 3.3Å
22T97.4Very high95.4Very high0 Ų033.6 Ų33.60%015%0.153CC..Hα-helixtrans-56-43.1175.3-59.70000111.1L18 D19 T20 S26 A55 A56 E59 E60L18-T22 HydrophobicContact CB-CG2 4.22Å; L18-T22 HydrophobicContact CD1-CG2 4.03Å; D19-T22 VanDerWaalsContact O-CB 3.25Å; D19-T22 WeakPolarHBondContact O-CB 3.15Å; D19-T22 PolarHBondContact O-N 3.45Å; T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 3.09Å; T22-S26 WeakPolarHBondContact O-CB 3.14Å; T22-S26 PolarHBondContact O-N 3.5Å; T22-S26 PolarHBondContact O-OG 3.08Å; T22-A55 HydrophobicContact CG2-CB 3.95Å; T22-A55 WeakPolarHBondContact O-CB 3.4Å; T22-A56 HydrophobicContact CG2-CB 4.11Å; T22-E59 WeakPolarHBondContact OG1-CB 3.14Å; T22-E60 WeakPolarHBondContact CB-OE1 3.4Å; T22-E60 PolarHBondContact OG1-OE1 3.47Å
23L96.8Very high95.6Very high0 Ų033.6 Ų33.60%015%0.153CC..Hα-helixtrans-63-46.5175.1175.566.4000111.9L9 V10 D19 T20 E21 L25 S26 V27 M52L9-L23 HydrophobicContact CB-CD1 4.04Å; V10-L23 HydrophobicContact CG2-CD1 4.35Å; V10-L23 HydrophobicContact CG2-CD2 3.87Å; D19-L23 PolarHBondContact O-N 3.24Å; T20-L23 WeakPolarHBondContact O-CB 3.23Å; T20-L23 PolarHBondContact O-N 3.09Å; T20-L23 VanDerWaalsContact O-N 3.11Å; E21-L23 VanDerWaalsContact C-N 3.27Å; E21-L23 PolarHBondContact O-N 2.89Å; L23-L25 PolarHBondContact O-N 3.34Å; L23-S26 WeakPolarHBondContact O-CB 3.3Å; L23-S26 PolarHBondContact O-N 2.91Å; L23-V27 HydrophobicContact CD1-CG2 4.41Å; L23-V27 WeakPolarHBondContact O-CG2 3.14Å; L23-V27 PolarHBondContact O-N 3.13Å; L23-M52 HydrophobicContact CD1-CE 3.92Å
24Y96.9Very high95.7Very high12 Ų1236.1 Ų36.15%0.04717%0.166CC..Hα-helixtrans-61.6-44.9179-85.9-97.3000112T20 E21 S26 V27 F28 A102 S127 E128 L131T20-Y24 HydrophobicContact CG2-CD2 3.8Å; T20-Y24 HydrophobicContact CG2-CE2 3.6Å; T20-Y24 WeakPolarHBondContact O-CD2 3.41Å; T20-Y24 PolarHBondContact O-N 3.4Å; T20-Y24 VanDerWaalsContact O-N 3.1Å; E21-Y24 PolarHBondContact O-N 2.76Å; E21-Y24 VanDerWaalsContact O-N 3.09Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-S26 PolarHBondContact O-N 3.14Å; Y24-V27 PolarHBondContact O-N 3.01Å; Y24-F28 WeakPolarHBondContact O-CB 3.33Å; Y24-F28 PolarHBondContact O-N 2.86Å; Y24-A102 HydrophobicContact CE1-CB 3.94Å; Y24-S127 VanDerWaalsContact OH-CB 3.23Å; Y24-S127 WeakPolarHBondContact OH-CB 3.23Å; Y24-S127 PolarHBondContact OH-OG 3.49Å; Y24-E128 HydrophobicContact CE2-CG 3.78Å; Y24-E128 WeakPolarHBondContact OH-CG 3.2Å; Y24-E128 PolarHBondContact OH-N 2.87Å; Y24-L131 HydrophobicContact CD1-CD1 4.17Å; Y24-L131 HydrophobicContact CD1-CD2 3.91Å; Y24-L131 HydrophobicContact CD2-CD1 4.28Å; Y24-L131 HydrophobicContact CE1-CD1 3.98Å; Y24-L131 HydrophobicContact CE1-CD2 3.83Å; Y24-L131 HydrophobicContact CE1-CG 4.12Å; Y24-L131 HydrophobicContact CE2-CD1 4.1Å; Y24-L131 HydrophobicContact CG-CD1 4.33Å
25L97.6Very high95.7Very high1 Ų138.4 Ų38.41%0.00519%0.188CC..Hα-helixtrans-63-40.6176-69174.3000111.4E21 L23 V27 F28 Y29 A55 Y58 E59 T99 T101E21-L25 HydrophobicContact CG-CD1 4.02Å; E21-L25 HydrophobicContact CG-CG 4.27Å; E21-L25 WeakPolarHBondContact O-CG 3.41Å; E21-L25 PolarHBondContact O-N 3.4Å; L23-L25 PolarHBondContact O-N 3.34Å; L25-V27 PolarHBondContact O-N 3.15Å; L25-F28 PolarHBondContact O-N 2.66Å; L25-Y29 HydrophobicContact CB-CE2 4.01Å; L25-Y29 VanDerWaalsContact O-CD2 3.28Å; L25-Y29 WeakPolarHBondContact O-CD2 3.36Å; L25-Y29 PolarHBondContact O-N 2.91Å; L25-A55 HydrophobicContact CB-CB 3.87Å; L25-Y58 HydrophobicContact CD1-CD1 3.79Å; L25-Y58 HydrophobicContact CD1-CE1 4.28Å; L25-E59 HydrophobicContact CD1-CB 4.24Å; L25-T99 HydrophobicContact CD2-CG2 3.69Å; L25-T101 HydrophobicContact CD2-CG2 3.83Å; L25-T101 HydrophobicContact CG-CG2 4.21Å
26S97.5Very high95.9Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-57-49.2176.3-57.20000111.9T22 L23 Y24 Y29 L30 M52 A55T22-S26 WeakPolarHBondContact O-CB 3.14Å; T22-S26 PolarHBondContact O-N 3.5Å; T22-S26 PolarHBondContact O-OG 3.08Å; L23-S26 WeakPolarHBondContact O-CB 3.3Å; L23-S26 PolarHBondContact O-N 2.91Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-S26 PolarHBondContact O-N 3.14Å; S26-Y29 PolarHBondContact O-N 3.34Å; S26-L30 WeakPolarHBondContact O-CB 3.26Å; S26-L30 PolarHBondContact O-N 3.03Å; S26-M52 VanDerWaalsContact OG-CA 3.24Å; S26-M52 WeakPolarHBondContact OG-CA 3.38Å; S26-M52 WeakPolarHBondContact OG-CG 3.21Å; S26-A55 VanDerWaalsContact OG-CB 3.28Å; S26-A55 WeakPolarHBondContact OG-CB 3.21Å
27V96.6Very high96.1Very high3 Ų338 Ų382%0.01819%0.189CC..Hα-helixtrans-65.3-41.5178.9175.70000110.6I6 L23 Y24 L25 L30 D31 L131I6-V27 HydrophobicContact CD1-CG1 3.84Å; I6-V27 HydrophobicContact CD1-CG2 4.22Å; I6-V27 HydrophobicContact CG1-CG2 4.16Å; I6-V27 HydrophobicContact CG2-CG2 4.19Å; L23-V27 HydrophobicContact CD1-CG2 4.41Å; L23-V27 WeakPolarHBondContact O-CG2 3.14Å; L23-V27 PolarHBondContact O-N 3.13Å; Y24-V27 PolarHBondContact O-N 3.01Å; L25-V27 PolarHBondContact O-N 3.15Å; V27-L30 WeakPolarHBondContact O-CB 3.31Å; V27-L30 PolarHBondContact O-N 3.32Å; V27-D31 WeakPolarHBondContact CG1-OD2 3.38Å; V27-D31 PolarHBondContact O-N 3.47Å; V27-L131 HydrophobicContact CG1-CD2 4.24Å
28F95.8Very high96.1Very high57 Ų5734.4 Ų34.425%0.2519%0.194CC..Hα-helixtrans-61.2-46.3176.6174.4-98.4000112.8Y24 L25 L30 D31 R32 T99Y24-F28 WeakPolarHBondContact O-CB 3.33Å; Y24-F28 PolarHBondContact O-N 2.86Å; L25-F28 PolarHBondContact O-N 2.66Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 3.41Å; F28-D31 PolarHBondContact O-N 2.91Å; F28-R32 HydrophobicContact CE1-CG 4.33Å; F28-R32 HydrophobicContact CE2-CG 4.21Å; F28-R32 HydrophobicContact CZ-CG 4.12Å; F28-R32 PolarHBondContact O-N 2.79Å; F28-T99 HydrophobicContact CB-CG2 4.49Å; F28-T99 HydrophobicContact CD1-CG2 3.31Å; F28-T99 HydrophobicContact CD2-CG2 4.06Å; F28-T99 VanDerWaalsContact CE1-CB 3.49Å; F28-T99 HydrophobicContact CE1-CG2 3.22Å; F28-T99 HydrophobicContact CE2-CG2 3.99Å; F28-T99 HydrophobicContact CG-CG2 3.71Å; F28-T99 VanDerWaalsContact CZ-CB 3.41Å; F28-T99 HydrophobicContact CZ-CG2 3.55Å; F28-T99 VanDerWaalsContact CZ-OG1 3.28Å; F28-T99 WeakPolarHBondContact CZ-OG1 3.28Å
29Y97.8Very high96.1Very high0 Ų035.8 Ų35.80%020%0.203CC..Hα-helixtrans-62.6-42.5176.7-60.7-25000111.5L25 S26 F33 I54 A55 L93 L97L25-Y29 HydrophobicContact CB-CE2 4.01Å; L25-Y29 VanDerWaalsContact O-CD2 3.28Å; L25-Y29 WeakPolarHBondContact O-CD2 3.36Å; L25-Y29 PolarHBondContact O-N 2.91Å; S26-Y29 PolarHBondContact O-N 3.34Å; Y29-F33 VanDerWaalsContact O-CB 3.22Å; Y29-F33 WeakPolarHBondContact O-CB 3.46Å; Y29-F33 PolarHBondContact O-N 3.29Å; Y29-I54 HydrophobicContact CD2-CB 4.32Å; Y29-I54 HydrophobicContact CD2-CG2 3.98Å; Y29-I54 HydrophobicContact CE2-CB 4.44Å; Y29-I54 HydrophobicContact CE2-CG2 3.79Å; Y29-A55 HydrophobicContact CD2-CB 4.19Å; Y29-A55 HydrophobicContact CE2-CB 3.84Å; Y29-L93 HydrophobicContact CD1-CD1 3.81Å; Y29-L93 HydrophobicContact CG-CD1 4.04Å; Y29-L97 HydrophobicContact CD1-CD2 4.18Å; Y29-L97 HydrophobicContact CE1-CB 4.18Å; Y29-L97 HydrophobicContact CE1-CD2 3.75Å; Y29-L97 HydrophobicContact CE2-CD2 4.29Å; Y29-L97 WeakPolarHBondContact OH-CB 3.42Å; Y29-L97 PolarHBondContact OH-O 2.88Å; Y29-L97 VanDerWaalsContact OH-O 3.06Å
30L97.1Very high96Very high0 Ų037.4 Ų37.40%022%0.215CC..Hα-helixtrans-56.9-50.6174.8173.967.6000111.1L5 S26 V27 F28 F33 L34 L44 V47 A51L5-L30 HydrophobicContact CD2-CD1 4.01Å; L5-L30 HydrophobicContact CD2-CD2 3.62Å; L5-L30 HydrophobicContact CD2-CG 4.49Å; L5-L30 HydrophobicContact CG-CD2 4.44Å; S26-L30 WeakPolarHBondContact O-CB 3.26Å; S26-L30 PolarHBondContact O-N 3.03Å; V27-L30 WeakPolarHBondContact O-CB 3.31Å; V27-L30 PolarHBondContact O-N 3.32Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 3.41Å; L30-F33 WeakPolarHBondContact O-CB 3.43Å; L30-F33 PolarHBondContact O-N 3.49Å; L30-L34 HydrophobicContact CD1-CD1 3.78Å; L30-L34 HydrophobicContact CD1-CG 4.12Å; L30-L34 HydrophobicContact CG-CD1 3.94Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 3.1Å; L30-L44 HydrophobicContact CD1-CD1 4.39Å; L30-V47 HydrophobicContact CD1-CB 4.31Å; L30-V47 HydrophobicContact CD1-CG1 3.63Å; L30-A51 HydrophobicContact CB-CB 4.36Å
31D95.5Very high95.9Very high15 Ų1545.3 Ų45.38%0.0824%0.242CC..Hα-helixtrans-69.1-41.1-175.5-71.1-34.9000112.8R2 V27 F28 F33 L34 S35 L138R2-D31 WeakPolarHBondContact CD-OD1 3.27Å; R2-D31 IonicContact CZ-OD1 3.8Å; R2-D31 IonicContact CZ-OD2 3.77Å; R2-D31 IonicContact NE-OD1 3.56Å; R2-D31 PolarHBondContact NE-OD1 3.28Å; R2-D31 IonicContact NE-OD2 3.42Å; R2-D31 PolarHBondContact NE-OD2 3.11Å; R2-D31 IonicContact NH2-OD1 3.97Å; R2-D31 IonicContact NH2-OD2 2.92Å; R2-D31 PolarHBondContact NH2-OD2 3.44Å; V27-D31 WeakPolarHBondContact CG1-OD2 3.38Å; V27-D31 PolarHBondContact O-N 3.47Å; F28-D31 PolarHBondContact O-N 2.91Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 3.17Å; D31-L34 PolarHBondContact O-N 3.08Å; D31-S35 WeakPolarHBondContact O-CB 3.23Å; D31-S35 PolarHBondContact O-N 3.25Å; D31-S35 PolarHBondContact O-OG 2.84Å; D31-L138 HydrophobicContact CB-CD2 3.99Å; D31-L138 WeakPolarHBondContact OD2-CD2 3.44Å
32R95.5Very high95.7Very high66 Ų6648.8 Ų48.825%0.24927%0.267CS..Hα-helixtrans-63-37.1173.2-78.2-174.167.2-179.910.7112.4F28 L93 D96F28-R32 HydrophobicContact CE1-CG 4.33Å; F28-R32 HydrophobicContact CE2-CG 4.21Å; F28-R32 HydrophobicContact CZ-CG 4.12Å; F28-R32 PolarHBondContact O-N 2.79Å; R32-L93 HydrophobicContact CB-CD2 3.47Å; R32-L93 VanDerWaalsContact CB-CD2 3.47Å; R32-D96 IonicContact CZ-OD2 3.37Å; R32-D96 VanDerWaalsContact CZ-OD2 3.32Å; R32-D96 PolarHBondContact NH1-O 3.45Å; R32-D96 IonicContact NH1-OD2 2.68Å; R32-D96 PolarHBondContact NH1-OD2 2.79Å; R32-D96 IonicContact NH2-OD2 2.7Å; R32-D96 PolarHBondContact NH2-OD2 3.19Å
33F97.1Very high95.6Very high4 Ų452.6 Ų52.62%0.01828%0.284CS..Hα-helixtrans-66.2-49.3176-177.6-96.9000111.4Y29 L30 D31 S35 Q36 M37 V39 V47 M85 V88 I89 I92Y29-F33 VanDerWaalsContact O-CB 3.22Å; Y29-F33 WeakPolarHBondContact O-CB 3.46Å; Y29-F33 PolarHBondContact O-N 3.29Å; L30-F33 WeakPolarHBondContact O-CB 3.43Å; L30-F33 PolarHBondContact O-N 3.49Å; D31-F33 VanDerWaalsContact C-N 3.29Å; D31-F33 PolarHBondContact O-N 3.17Å; F33-S35 PolarHBondContact O-N 3.37Å; F33-Q36 PolarHBondContact O-N 2.83Å; F33-M37 HydrophobicContact CD1-CB 4.23Å; F33-M37 HydrophobicContact CD2-CG 4.27Å; F33-M37 HydrophobicContact CE1-CB 3.81Å; F33-M37 HydrophobicContact CE1-CG 4.25Å; F33-M37 HydrophobicContact CE2-CB 4.28Å; F33-M37 HydrophobicContact CE2-CG 3.8Å; F33-M37 HydrophobicContact CZ-CB 3.85Å; F33-M37 HydrophobicContact CZ-CG 3.79Å; F33-M37 WeakPolarHBondContact O-CB 3.45Å; F33-M37 PolarHBondContact O-N 3.4Å; F33-V39 HydrophobicContact CD1-CG2 4.3Å; F33-V39 HydrophobicContact CE1-CG2 3.7Å; F33-V47 HydrophobicContact CD1-CG1 3.53Å; F33-V47 HydrophobicContact CD1-CG2 4.4Å; F33-V47 HydrophobicContact CE1-CG1 3.87Å; F33-V47 HydrophobicContact CE1-CG2 3.91Å; F33-V47 HydrophobicContact CG-CG1 4.29Å; F33-M85 HydrophobicContact CZ-SD 4.23Å; F33-V88 HydrophobicContact CE2-CG1 3.96Å; F33-V88 HydrophobicContact CZ-CG1 4.12Å; F33-I89 HydrophobicContact CD2-CB 4.22Å; F33-I89 HydrophobicContact CD2-CG1 3.73Å; F33-I89 HydrophobicContact CD2-CG2 4.45Å; F33-I89 HydrophobicContact CE2-CB 4.48Å; F33-I89 HydrophobicContact CE2-CG1 3.85Å; F33-I89 HydrophobicContact CG-CG1 4.13Å; F33-I89 HydrophobicContact CZ-CG1 4.36Å; F33-I92 HydrophobicContact CD2-CB 3.96Å; F33-I92 HydrophobicContact CD2-CG1 4.23Å; F33-I92 HydrophobicContact CD2-CG2 3.91Å; F33-I92 HydrophobicContact CE2-CB 4.1Å; F33-I92 HydrophobicContact CE2-CG1 3.85Å; F33-I92 HydrophobicContact CE2-CG2 4.35Å
34L95.4Very high95.5Very high54 Ų5453.7 Ų53.728%0.28329%0.289SS..Hα-helixtrans-65.4-24.2179-67.9176.4000113.1L30 D31 Q36 V39 L44L30-L34 HydrophobicContact CD1-CD1 3.78Å; L30-L34 HydrophobicContact CD1-CG 4.12Å; L30-L34 HydrophobicContact CG-CD1 3.94Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 3.1Å; D31-L34 PolarHBondContact O-N 3.08Å; L34-Q36 PolarHBondContact O-N 3.5Å; L34-V39 HydrophobicContact CD2-CB 3.88Å; L34-V39 HydrophobicContact CD2-CG2 3.63Å; L34-L44 HydrophobicContact CD1-CD1 4.02Å; L34-L44 HydrophobicContact CD2-CD1 4.09Å
35S94Very high95.5Very high101 Ų10155.8 Ų55.871%0.70630%0.3SS*.THydrogen-bonded Turntrans-68.1-21.1173.1-60.80000113.2D31 F33D31-S35 WeakPolarHBondContact O-CB 3.23Å; D31-S35 PolarHBondContact O-N 3.25Å; D31-S35 PolarHBondContact O-OG 2.84Å; F33-S35 PolarHBondContact O-N 3.37Å
36Q95.6Very high95.5Very high117 Ų11756.1 Ų56.155%0.54730%0.301SS..THydrogen-bonded Turntrans-113.3-22.6-178.3-64.4-175.865.700113.2F33 L34 I92F33-Q36 PolarHBondContact O-N 2.83Å; L34-Q36 PolarHBondContact O-N 3.5Å; Q36-I92 HydrophobicContact CB-CG2 3.92Å; Q36-I92 HydrophobicContact CG-CG2 4.41Å; Q36-I92 PolarHBondContact NE2-O 2.71Å
37M95.6Very high95.6Very high72 Ų7256.1 Ų56.136%0.35530%0.301SS..  trans-126.6124.8-171.6-64.5-65.4-70.300111.3F33 V39 I92F33-M37 HydrophobicContact CD1-CB 4.23Å; F33-M37 HydrophobicContact CD2-CG 4.27Å; F33-M37 HydrophobicContact CE1-CB 3.81Å; F33-M37 HydrophobicContact CE1-CG 4.25Å; F33-M37 HydrophobicContact CE2-CB 4.28Å; F33-M37 HydrophobicContact CE2-CG 3.8Å; F33-M37 HydrophobicContact CZ-CB 3.85Å; F33-M37 HydrophobicContact CZ-CG 3.79Å; F33-M37 WeakPolarHBondContact O-CB 3.45Å; F33-M37 PolarHBondContact O-N 3.4Å; M37-V39 PolarHBondContact O-N 3.32Å; M37-I92 HydrophobicContact CG-CD1 4.06Å; M37-I92 HydrophobicContact CG-CG1 4.01Å; M37-I92 HydrophobicContact CG-CG2 4.27Å; M37-I92 HydrophobicContact SD-CD1 3.73Å; M37-I92 HydrophobicContact SD-CG1 4.25Å
38A93.9Very high95.6Very high110 Ų11056 Ų5691%0.90930%0.3SS*.  trans-74.5121.5169.700000110.1
39V94.8Very high95.7Very high45 Ų4553.3 Ų53.327%0.27329%0.289SS..  trans-118.5129.1-177.6-178.90000109.8F33 L34 M37 K43 V47F33-V39 HydrophobicContact CD1-CG2 4.3Å; F33-V39 HydrophobicContact CE1-CG2 3.7Å; L34-V39 HydrophobicContact CD2-CB 3.88Å; L34-V39 HydrophobicContact CD2-CG2 3.63Å; M37-V39 PolarHBondContact O-N 3.32Å; V39-K43 HydrophobicContact CG1-CB 3.94Å; V39-V47 HydrophobicContact CG1-CG2 3.98Å; V39-V47 HydrophobicContact CG2-CG2 4.19Å
40V94.7Very high95.7Very high95 Ų9553.3 Ų53.358%0.57629%0.289SS*.  trans-70.8147.3172.8-63.60000110.7S42 K43 L44V40-S42 PolarHBondContact O-N 3.44Å; V40-K43 HydrophobicContact CG2-CB 4.08Å; V40-K43 HydrophobicContact CG2-CG 3.73Å; V40-K43 PolarHBondContact O-N 3.25Å; V40-L44 PolarHBondContact O-N 3.06Å
41R91.7Very high95.8Very high191 Ų19153.3 Ų53.372%0.72129%0.289SS*.Hα-helixtrans-47.2-43-177.6178.4179.4178.5179.3-2.6113.9M1 K43 L44M1-R41 HydrophobicContact SD-CB 3.92Å; M1-R41 WeakPolarHBondContact SD-CD 3.38Å; M1-R41 HydrophobicContact SD-CG 3.51Å; M1-R41 VanDerWaalsContact SD-CG 3.51Å; R41-K43 PolarHBondContact O-N 3.35Å; R41-L44 WeakPolarHBondContact O-CB 3.38Å; R41-L44 PolarHBondContact O-N 2.94Å
42S92.8Very high95.9Very high82 Ų8252.6 Ų52.657%0.57329%0.285SS*.Hα-helixtrans-69-10.3-177.858.20000114.8V40 Y77V40-S42 PolarHBondContact O-N 3.44Å; S42-Y77 PolarHBondContact O-OH 2.93Å
43K94.9Very high96Very high80 Ų8051 Ų5135%0.34828%0.279SS..Hα-helixtrans-110.5-3.4176.6-62.3-59.3-177.7-1720112.8V39 V40 R41 Q45 L46 V47 Y77V39-K43 HydrophobicContact CG1-CB 3.94Å; V40-K43 HydrophobicContact CG2-CB 4.08Å; V40-K43 HydrophobicContact CG2-CG 3.73Å; V40-K43 PolarHBondContact O-N 3.25Å; R41-K43 PolarHBondContact O-N 3.35Å; K43-Q45 PolarHBondContact O-N 3.23Å; K43-L46 HydrophobicContact CD-CD2 4.3Å; K43-L46 WeakPolarHBondContact O-CB 3.41Å; K43-L46 PolarHBondContact O-N 2.91Å; K43-V47 WeakPolarHBondContact O-CG2 3.49Å; K43-V47 PolarHBondContact O-N 3.23Å; K43-V47 VanDerWaalsContact O-N 3.11Å; K43-Y77 HydrophobicContact CD-CE1 4.42Å
44L95.7Very high96.1Very high22 Ų2251 Ų5112%0.11528%0.279CS..Hα-helixtrans-63.8-41.5-177.6-174.159000111.7M1 L5 L30 L34 V40 R41 V47 G48M1-L44 HydrophobicContact CB-CD2 4.01Å; L5-L44 HydrophobicContact CD2-CD1 4.07Å; L5-L44 HydrophobicContact CD2-CG 3.84Å; L30-L44 HydrophobicContact CD1-CD1 4.39Å; L34-L44 HydrophobicContact CD1-CD1 4.02Å; L34-L44 HydrophobicContact CD2-CD1 4.09Å; V40-L44 PolarHBondContact O-N 3.06Å; R41-L44 WeakPolarHBondContact O-CB 3.38Å; R41-L44 PolarHBondContact O-N 2.94Å; L44-V47 PolarHBondContact O-N 3.02Å; L44-G48 PolarHBondContact O-N 3.37Å
45Q96.9Very high96.2Very high57 Ų5748.4 Ų48.427%0.26627%0.266SS..Hα-helixtrans-61.9-45175.3-171.4-17631.800111.4W8 K43 V47 G48 T49 T73 Y77W8-Q45 HydrophobicContact CH2-CG 4.19Å; W8-Q45 HydrophobicContact CZ3-CG 4.16Å; K43-Q45 PolarHBondContact O-N 3.23Å; Q45-V47 VanDerWaalsContact C-N 3.28Å; Q45-V47 PolarHBondContact O-N 2.91Å; Q45-G48 WeakPolarHBondContact O-CA 3.41Å; Q45-G48 PolarHBondContact O-N 3.28Å; Q45-T49 PolarHBondContact O-N 3.44Å; Q45-T49 PolarHBondContact O-OG1 2.89Å; Q45-T73 HydrophobicContact CG-CG2 4.36Å; Q45-Y77 HydrophobicContact CB-CE2 3.99Å; Q45-Y77 HydrophobicContact CG-CE2 4.15Å
46L97.6Very high96.4Very high8 Ų843.6 Ų43.64%0.04223%0.232CC..Hα-helixtrans-55.7-40.7174.817761.4000112.9K43 A50 Y77 Q81 V82 M85K43-L46 HydrophobicContact CD-CD2 4.3Å; K43-L46 WeakPolarHBondContact O-CB 3.41Å; K43-L46 PolarHBondContact O-N 2.91Å; L46-A50 WeakPolarHBondContact O-CB 3.24Å; L46-A50 PolarHBondContact O-N 3.03Å; L46-Y77 HydrophobicContact CB-CD1 4Å; L46-Y77 HydrophobicContact CB-CD2 4.04Å; L46-Y77 HydrophobicContact CB-CE1 3.74Å; L46-Y77 HydrophobicContact CB-CE2 3.78Å; L46-Y77 HydrophobicContact CB-CG 4.13Å; L46-Y77 HydrophobicContact CD1-CD1 4.22Å; L46-Y77 HydrophobicContact CD1-CD2 4.22Å; L46-Y77 HydrophobicContact CD1-CG 3.89Å; L46-Y77 HydrophobicContact CD2-CD1 4.17Å; L46-Y77 HydrophobicContact CD2-CE1 4.37Å; L46-Y77 HydrophobicContact CG-CD1 4.36Å; L46-Y77 HydrophobicContact CG-CG 4.44Å; L46-Y77 PolarHBondContact N-OH 3.47Å; L46-Q81 HydrophobicContact CD1-CB 4.36Å; L46-Q81 HydrophobicContact CD2-CB 4.37Å; L46-V82 HydrophobicContact CD1-CB 4.47Å; L46-V82 HydrophobicContact CD1-CG2 3.9Å; L46-M85 HydrophobicContact CD1-CB 4.24Å; L46-M85 HydrophobicContact CD2-CB 4.36Å; L46-M85 HydrophobicContact CD2-CE 3.88Å; L46-M85 HydrophobicContact CG-CB 4.02Å; L46-M85 HydrophobicContact CG-CE 4.11Å; L46-M85 HydrophobicContact CG-CG 4.15Å
47V98Very high96.5Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-65.7-45.4175.9178.50000110.4L30 F33 V39 K43 L44 Q45 A50 A51 M85 I89L30-V47 HydrophobicContact CD1-CB 4.31Å; L30-V47 HydrophobicContact CD1-CG1 3.63Å; F33-V47 HydrophobicContact CD1-CG1 3.53Å; F33-V47 HydrophobicContact CD1-CG2 4.4Å; F33-V47 HydrophobicContact CE1-CG1 3.87Å; F33-V47 HydrophobicContact CE1-CG2 3.91Å; F33-V47 HydrophobicContact CG-CG1 4.29Å; V39-V47 HydrophobicContact CG1-CG2 3.98Å; V39-V47 HydrophobicContact CG2-CG2 4.19Å; K43-V47 WeakPolarHBondContact O-CG2 3.49Å; K43-V47 PolarHBondContact O-N 3.23Å; K43-V47 VanDerWaalsContact O-N 3.11Å; L44-V47 PolarHBondContact O-N 3.02Å; Q45-V47 VanDerWaalsContact C-N 3.28Å; Q45-V47 PolarHBondContact O-N 2.91Å; V47-A50 PolarHBondContact O-N 2.72Å; V47-A51 VanDerWaalsContact O-CB 3.29Å; V47-A51 WeakPolarHBondContact O-CB 3.29Å; V47-A51 PolarHBondContact O-N 2.93Å; V47-M85 HydrophobicContact CG2-CE 3.78Å; V47-M85 HydrophobicContact CG2-CG 4.42Å; V47-M85 HydrophobicContact CG2-SD 3.88Å; V47-I89 HydrophobicContact CG1-CD1 4.12Å
48G97.6Very high96.6Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-59.4-47.617600000112.8L44 Q45 A50 A51 M52L44-G48 PolarHBondContact O-N 3.37Å; Q45-G48 WeakPolarHBondContact O-CA 3.41Å; Q45-G48 PolarHBondContact O-N 3.28Å; G48-A50 PolarHBondContact O-N 3.26Å; G48-A51 PolarHBondContact O-N 2.96Å; G48-M52 PolarHBondContact O-N 2.72Å
49T97.6Very high96.8Very high0 Ų042.4 Ų42.40%020%0.202CC..Hα-helixtrans-58-47.1176.1-55.20000111.6W8 Q45 M52 Y53 F69 T73 V82W8-T49 WeakPolarHBondContact CH2-OG1 3.46Å; Q45-T49 PolarHBondContact O-N 3.44Å; Q45-T49 PolarHBondContact O-OG1 2.89Å; T49-M52 PolarHBondContact O-N 3.45Å; T49-Y53 WeakPolarHBondContact O-CB 3.38Å; T49-Y53 PolarHBondContact O-N 2.95Å; T49-F69 HydrophobicContact CG2-CB 3.74Å; T49-F69 HydrophobicContact CG2-CD1 4.04Å; T49-F69 HydrophobicContact CG2-CG 4.32Å; T49-T73 HydrophobicContact CG2-CG2 4.11Å; T49-T73 WeakPolarHBondContact OG1-CG2 3.4Å; T49-V82 HydrophobicContact CG2-CG1 4.46Å; T49-V82 HydrophobicContact CG2-CG2 4.46Å
50A98.2Very high96.9Very high0 Ų042.2 Ų42.20%020%0.198CC..Hα-helixtrans-69-37179.200000112.5L46 V47 G48 Y53 I54 M85 I89L46-A50 WeakPolarHBondContact O-CB 3.24Å; L46-A50 PolarHBondContact O-N 3.03Å; V47-A50 PolarHBondContact O-N 2.72Å; G48-A50 PolarHBondContact O-N 3.26Å; A50-Y53 PolarHBondContact O-N 2.98Å; A50-I54 WeakPolarHBondContact O-CD1 3.4Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.43Å; A50-I54 PolarHBondContact O-N 3.49Å; A50-M85 HydrophobicContact CB-CB 3.8Å; A50-M85 HydrophobicContact CB-CG 3.56Å; A50-I89 HydrophobicContact CB-CD1 3.73Å
51A98.2Very high97Very high0 Ų044.6 Ų44.60%021%0.206CC..Hα-helixtrans-62.2-43.6174.600000111.4L30 V47 G48 I54 A55 I89L30-A51 HydrophobicContact CB-CB 4.36Å; V47-A51 VanDerWaalsContact O-CB 3.29Å; V47-A51 WeakPolarHBondContact O-CB 3.29Å; V47-A51 PolarHBondContact O-N 2.93Å; G48-A51 PolarHBondContact O-N 2.96Å; A51-I54 PolarHBondContact O-N 3.34Å; A51-A55 PolarHBondContact O-N 2.77Å; A51-I89 HydrophobicContact CB-CD1 4.33Å
52M98.1Very high97.2Very high1 Ų145.1 Ų45.11%0.00521%0.209CC..Hα-helixtrans-69.2-36.7176.1-174.3167-87.300113.1L9 V12 L18 L23 S26 G48 T49 I54 A55 A56 F69L9-M52 HydrophobicContact CB-CE 3.71Å; L9-M52 HydrophobicContact CD2-CB 4.1Å; L9-M52 HydrophobicContact CD2-CE 3.72Å; L9-M52 HydrophobicContact CD2-SD 3.81Å; L9-M52 HydrophobicContact CG-CE 4.18Å; L9-M52 WeakPolarHBondContact O-CE 3.45Å; V12-M52 HydrophobicContact CB-SD 4Å; V12-M52 HydrophobicContact CG1-SD 3.44Å; V12-M52 WeakPolarHBondContact CG1-SD 3.48Å; L18-M52 HydrophobicContact CD1-CG 4.2Å; L18-M52 HydrophobicContact CD1-SD 4.08Å; L23-M52 HydrophobicContact CD1-CE 3.92Å; S26-M52 VanDerWaalsContact OG-CA 3.24Å; S26-M52 WeakPolarHBondContact OG-CA 3.38Å; S26-M52 WeakPolarHBondContact OG-CG 3.21Å; G48-M52 PolarHBondContact O-N 2.72Å; T49-M52 PolarHBondContact O-N 3.45Å; M52-I54 VanDerWaalsContact C-N 3.31Å; M52-I54 PolarHBondContact O-N 3.17Å; M52-A55 PolarHBondContact O-N 3.48Å; M52-A56 WeakPolarHBondContact O-CB 3.36Å; M52-A56 PolarHBondContact O-N 2.97Å; M52-F69 HydrophobicContact CB-CE1 4.11Å; M52-F69 HydrophobicContact CG-CE1 3.77Å; M52-F69 HydrophobicContact CG-CZ 4.24Å; M52-F69 HydrophobicContact SD-CE1 4.27Å
53Y98.1Very high97.3Very high31 Ų3143.7 Ų43.712%0.12220%0.198CC..Hα-helixtrans-61.5-40.1172.3-176.9-127000112.2T49 A50 K57 V66 F69 L83 E86T49-Y53 WeakPolarHBondContact O-CB 3.38Å; T49-Y53 PolarHBondContact O-N 2.95Å; A50-Y53 PolarHBondContact O-N 2.98Å; Y53-K57 HydrophobicContact CE1-CD 4.12Å; Y53-K57 HydrophobicContact CE2-CD 4.16Å; Y53-K57 HydrophobicContact CE2-CG 4.16Å; Y53-K57 WeakPolarHBondContact O-CG 3.48Å; Y53-K57 PolarHBondContact O-N 3.18Å; Y53-K57 VanDerWaalsContact O-N 3.14Å; Y53-V66 HydrophobicContact CE1-CB 4.17Å; Y53-V66 HydrophobicContact CE1-CG2 4.28Å; Y53-V66 HydrophobicContact CE2-CB 4.16Å; Y53-F69 AromaticContact CD2-CD2 3.47Å; Y53-F69 HydrophobicContact CD2-CD2 3.47Å; Y53-F69 VanDerWaalsContact CD2-CD2 3.47Å; Y53-F69 AromaticContact CD2-CE2 3.46Å; Y53-F69 HydrophobicContact CD2-CE2 3.46Å; Y53-F69 VanDerWaalsContact CD2-CE2 3.46Å; Y53-F69 HydrophobicContact CD2-CG 4.37Å; Y53-F69 HydrophobicContact CD2-CZ 4.36Å; Y53-F69 HydrophobicContact CE2-CD2 4.23Å; Y53-F69 HydrophobicContact CE2-CE2 4.32Å; Y53-F69 HydrophobicContact CG-CD2 4.13Å; Y53-F69 HydrophobicContact CG-CE2 4.27Å; Y53-L83 HydrophobicContact CE1-CD2 4.06Å; Y53-E86 WeakPolarHBondContact CD1-OE1 3.26Å; Y53-E86 WeakPolarHBondContact CE1-OE1 3.46Å
54I98.4Very high97.4Very high4 Ų440.5 Ų40.52%0.02119%0.186CC..Hα-helixtrans-64-46.8174.2-68.1161.8000110.9Y29 A50 A51 M52 K57 Y58 E86 I89 L90 L97Y29-I54 HydrophobicContact CD2-CB 4.32Å; Y29-I54 HydrophobicContact CD2-CG2 3.98Å; Y29-I54 HydrophobicContact CE2-CB 4.44Å; Y29-I54 HydrophobicContact CE2-CG2 3.79Å; A50-I54 WeakPolarHBondContact O-CD1 3.4Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.43Å; A50-I54 PolarHBondContact O-N 3.49Å; A51-I54 PolarHBondContact O-N 3.34Å; M52-I54 VanDerWaalsContact C-N 3.31Å; M52-I54 PolarHBondContact O-N 3.17Å; I54-K57 PolarHBondContact O-N 2.88Å; I54-Y58 PolarHBondContact O-N 2.95Å; I54-Y58 VanDerWaalsContact O-N 3.14Å; I54-E86 HydrophobicContact CD1-CB 4.42Å; I54-E86 HydrophobicContact CD1-CG 4.16Å; I54-E86 HydrophobicContact CG1-CB 4.43Å; I54-E86 HydrophobicContact CG1-CG 3.89Å; I54-I89 HydrophobicContact CD1-CB 3.77Å; I54-I89 HydrophobicContact CD1-CD1 4.34Å; I54-I89 HydrophobicContact CD1-CG2 3.58Å; I54-L90 HydrophobicContact CD1-CD2 4.14Å; I54-L90 HydrophobicContact CD1-CG 3.98Å; I54-L90 HydrophobicContact CG1-CD2 4.34Å; I54-L90 HydrophobicContact CG1-CG 4.38Å; I54-L90 HydrophobicContact CG2-CD2 3.95Å; I54-L97 HydrophobicContact CG2-CD1 3.93Å; I54-L97 HydrophobicContact CG2-CD2 4.02Å
55A98.2Very high97.4Very high0 Ų046.4 Ų46.40%021%0.212CC..Hα-helixtrans-61.1-44.9178.800000111.9T22 L25 S26 Y29 A51 M52 K57 Y58 E59T22-A55 HydrophobicContact CG2-CB 3.95Å; T22-A55 WeakPolarHBondContact O-CB 3.4Å; L25-A55 HydrophobicContact CB-CB 3.87Å; S26-A55 VanDerWaalsContact OG-CB 3.28Å; S26-A55 WeakPolarHBondContact OG-CB 3.21Å; Y29-A55 HydrophobicContact CD2-CB 4.19Å; Y29-A55 HydrophobicContact CE2-CB 3.84Å; A51-A55 PolarHBondContact O-N 2.77Å; M52-A55 PolarHBondContact O-N 3.48Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 2.83Å; A55-Y58 WeakPolarHBondContact O-CB 3.38Å; A55-Y58 PolarHBondContact O-N 3.22Å; A55-E59 PolarHBondContact O-N 2.87Å
56A98Very high97.3Very high0 Ų044 Ų440%020%0.202CC..Hα-helixtrans-60-45.3178.500000111.2T22 M52 Y58 E59 E60 P63 F69T22-A56 HydrophobicContact CG2-CB 4.11Å; M52-A56 WeakPolarHBondContact O-CB 3.36Å; M52-A56 PolarHBondContact O-N 2.97Å; A56-Y58 PolarHBondContact O-N 3.4Å; A56-E59 PolarHBondContact O-N 2.94Å; A56-E60 HydrophobicContact CB-CG 4.1Å; A56-E60 WeakPolarHBondContact O-CB 3.34Å; A56-E60 WeakPolarHBondContact O-CG 3.49Å; A56-E60 PolarHBondContact O-N 2.99Å; A56-P63 HydrophobicContact CB-CB 4.2Å; A56-F69 HydrophobicContact CB-CZ 4.22Å
57K97.8Very high97.2Very high90 Ų9045.4 Ų45.439%0.39122%0.218SC..Hα-helixtrans-64.4-23175.9-71.4-170.2-51.2174.90114.4Y53 I54 A55 P63 E86Y53-K57 HydrophobicContact CE1-CD 4.12Å; Y53-K57 HydrophobicContact CE2-CD 4.16Å; Y53-K57 HydrophobicContact CE2-CG 4.16Å; Y53-K57 WeakPolarHBondContact O-CG 3.48Å; Y53-K57 PolarHBondContact O-N 3.18Å; Y53-K57 VanDerWaalsContact O-N 3.14Å; I54-K57 PolarHBondContact O-N 2.88Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 2.83Å; K57-P63 HydrophobicContact CG-CB 4.28Å; K57-P63 HydrophobicContact CG-CG 4.39Å; K57-E86 WeakPolarHBondContact CE-OE1 3.44Å; K57-E86 IonicContact NZ-OE1 3.56Å; K57-E86 PolarHBondContact NZ-OE1 2.76Å; K57-E86 IonicContact NZ-OE2 2.82Å
58Y97.4Very high97Very high104 Ų10449.3 Ų49.341%0.40824%0.236SC..Hα-helixtrans-84.5-43.2-179.5-176-92.6000111.6L25 I54 A55 A56 L97L25-Y58 HydrophobicContact CD1-CD1 3.79Å; L25-Y58 HydrophobicContact CD1-CE1 4.28Å; I54-Y58 PolarHBondContact O-N 2.95Å; I54-Y58 VanDerWaalsContact O-N 3.14Å; A55-Y58 WeakPolarHBondContact O-CB 3.38Å; A55-Y58 PolarHBondContact O-N 3.22Å; A56-Y58 PolarHBondContact O-N 3.4Å; Y58-L97 HydrophobicContact CD2-CB 4.1Å; Y58-L97 HydrophobicContact CD2-CD1 4.2Å; Y58-L97 HydrophobicContact CE2-CB 4.09Å
59E97.4Very high96.8Very high80 Ų8049.4 Ų49.437%0.37424%0.237SC..Hα-helixtrans-102.6-35.1-169.1-169.461-15500113.6E21 T22 L25 A55 A56E21-E59 HydrophobicContact CB-CG 3.98Å; E21-E59 HydrophobicContact CG-CG 3.9Å; T22-E59 WeakPolarHBondContact OG1-CB 3.14Å; L25-E59 HydrophobicContact CD1-CB 4.24Å; A55-E59 PolarHBondContact O-N 2.87Å; A56-E59 PolarHBondContact O-N 2.94Å
60E97.1Very high96.6Very high42 Ų4250 Ų5020%0.19624%0.241CC..  trans-78.7141.7-173.1-58.3-65160.700112.3L18 D19 T22 A56 Y62 P63L18-E60 WeakPolarHBondContact CA-OE1 3.33Å; L18-E60 WeakPolarHBondContact CB-OE1 3.49Å; L18-E60 HydrophobicContact CD2-CG 4.13Å; D19-E60 PolarHBondContact N-OE1 3.42Å; T22-E60 WeakPolarHBondContact CB-OE1 3.4Å; T22-E60 PolarHBondContact OG1-OE1 3.47Å; A56-E60 HydrophobicContact CB-CG 4.1Å; A56-E60 WeakPolarHBondContact O-CB 3.34Å; A56-E60 WeakPolarHBondContact O-CG 3.49Å; A56-E60 PolarHBondContact O-N 2.99Å; E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-P63 HydrophobicContact CB-CB 4.25Å
61I96.8Very high96.3Very high144 Ų14456.9 Ų56.974%0.73827%0.271SS*.SBendtrans-64.8-40.5170.1-56.6176.2000110.1
62Y95.8Very high96Very high203 Ų20358.8 Ų58.880%0.79628%0.281SS*.SBendtrans-129.980.6-179.4-57-69.2000109.7E60E60-Y62 VanDerWaalsContact C-N 3.3Å
63P96.3Very high95.6Very high51 Ų5158.8 Ų58.833%0.33128%0.281SS..PPolyproline II helixtrans-64.9142.4-179.225.7-34.1000111.6A56 K57 E60A56-P63 HydrophobicContact CB-CB 4.2Å; K57-P63 HydrophobicContact CG-CB 4.28Å; K57-P63 HydrophobicContact CG-CG 4.39Å; E60-P63 HydrophobicContact CB-CB 4.25Å
64P95.8Very high95.2Very high14 Ų1464.2 Ų64.29%0.09131%0.312CS..PPolyproline II helixtrans-56.3148.1173.1-23.933.1000112Y16 L18 E68 F69Y16-P64 HydrophobicContact CD1-CB 4.08Å; Y16-P64 HydrophobicContact CD1-CG 3.88Å; Y16-P64 HydrophobicContact CE1-CB 4.41Å; Y16-P64 HydrophobicContact CG-CG 4.16Å; L18-P64 HydrophobicContact CD2-CG 3.87Å; P64-E68 WeakPolarHBondContact CA-OE2 3.23Å; P64-E68 HydrophobicContact CB-CB 4.3Å; P64-E68 VanDerWaalsContact CB-OE2 3.27Å; P64-E68 WeakPolarHBondContact CB-OE2 3.36Å; P64-F69 HydrophobicContact CB-CD2 4.31Å; P64-F69 HydrophobicContact CB-CE2 3.71Å; P64-F69 HydrophobicContact CB-CZ 4.38Å; P64-F69 HydrophobicContact CG-CE2 4.13Å; P64-F69 HydrophobicContact CG-CZ 4.36Å
65E95.7Very high94.7Very high145 Ų14569.5 Ų69.568%0.67834%0.34SS*.PPolyproline II helixtrans-69.9152.6176-69.5-165-178.300111.1G67 E68E65-G67 PolarHBondContact O-N 3.21Å; E65-E68 WeakPolarHBondContact O-CB 3.21Å; E65-E68 PolarHBondContact O-N 3.32Å
66V95.7Very high94.4Very high7 Ų773 Ų734%0.04237%0.365CS..Hα-helixtrans-57.6-24.317764.60000113.5Y53 E68 F69 V70 K79 V82 L83Y53-V66 HydrophobicContact CE1-CB 4.17Å; Y53-V66 HydrophobicContact CE1-CG2 4.28Å; Y53-V66 HydrophobicContact CE2-CB 4.16Å; V66-E68 VanDerWaalsContact C-N 3.29Å; V66-F69 PolarHBondContact O-N 2.87Å; V66-V70 WeakPolarHBondContact O-CG2 3.48Å; V66-V70 PolarHBondContact O-N 2.71Å; V66-V70 VanDerWaalsContact O-N 3.11Å; V66-K79 HydrophobicContact CG1-CD 3.63Å; V66-K79 HydrophobicContact CG1-CG 3.75Å; V66-K79 HydrophobicContact CG2-CG 4.2Å; V66-V82 HydrophobicContact CG2-CB 4.09Å; V66-V82 HydrophobicContact CG2-CG1 3.84Å; V66-L83 HydrophobicContact CG2-CD2 4.15Å; V66-L83 HydrophobicContact CG2-CG 4.27Å
67G94.4Very high94.3Very high38 Ų3873.8 Ų73.839%0.39237%0.368SS..Hα-helixtrans-64.8-33.8174.400000112.9E65 V70 F71E65-G67 PolarHBondContact O-N 3.21Å; G67-V70 PolarHBondContact O-N 3.37Å; G67-F71 PolarHBondContact O-N 3.22Å
68E94.3Very high94.2Very high81 Ų8173.2 Ų73.238%0.37937%0.372SS..Hα-helixtrans-69.8-41.5177.7-60.9-160.5118.700111Y16 P64 E65 V66 V70 F71 L72Y16-E68 HydrophobicContact CE1-CB 3.82Å; Y16-E68 VanDerWaalsContact CE1-CD 3.47Å; Y16-E68 HydrophobicContact CE1-CG 4.21Å; Y16-E68 WeakPolarHBondContact CE1-OE2 3.46Å; Y16-E68 WeakPolarHBondContact OH-CB 3.31Å; P64-E68 WeakPolarHBondContact CA-OE2 3.23Å; P64-E68 HydrophobicContact CB-CB 4.3Å; P64-E68 VanDerWaalsContact CB-OE2 3.27Å; P64-E68 WeakPolarHBondContact CB-OE2 3.36Å; E65-E68 WeakPolarHBondContact O-CB 3.21Å; E65-E68 PolarHBondContact O-N 3.32Å; V66-E68 VanDerWaalsContact C-N 3.29Å; E68-V70 VanDerWaalsContact C-N 3.28Å; E68-V70 PolarHBondContact O-N 2.7Å; E68-F71 WeakPolarHBondContact O-CB 3.48Å; E68-F71 PolarHBondContact O-N 3.2Å; E68-L72 WeakPolarHBondContact O-CG 3.36Å; E68-L72 PolarHBondContact O-N 2.91Å
69F93.1Very high94.2Very high2 Ų273.8 Ų73.81%0.00938%0.376CS..Hα-helixtrans-63.6-30.9171.9-76.5-76.2000113.9T49 M52 Y53 A56 P64 V66 L72 T73T49-F69 HydrophobicContact CG2-CB 3.74Å; T49-F69 HydrophobicContact CG2-CD1 4.04Å; T49-F69 HydrophobicContact CG2-CG 4.32Å; M52-F69 HydrophobicContact CB-CE1 4.11Å; M52-F69 HydrophobicContact CG-CE1 3.77Å; M52-F69 HydrophobicContact CG-CZ 4.24Å; M52-F69 HydrophobicContact SD-CE1 4.27Å; Y53-F69 AromaticContact CD2-CD2 3.47Å; Y53-F69 HydrophobicContact CD2-CD2 3.47Å; Y53-F69 VanDerWaalsContact CD2-CD2 3.47Å; Y53-F69 AromaticContact CD2-CE2 3.46Å; Y53-F69 HydrophobicContact CD2-CE2 3.46Å; Y53-F69 VanDerWaalsContact CD2-CE2 3.46Å; Y53-F69 HydrophobicContact CD2-CG 4.37Å; Y53-F69 HydrophobicContact CD2-CZ 4.36Å; Y53-F69 HydrophobicContact CE2-CD2 4.23Å; Y53-F69 HydrophobicContact CE2-CE2 4.32Å; Y53-F69 HydrophobicContact CG-CD2 4.13Å; Y53-F69 HydrophobicContact CG-CE2 4.27Å; A56-F69 HydrophobicContact CB-CZ 4.22Å; P64-F69 HydrophobicContact CB-CD2 4.31Å; P64-F69 HydrophobicContact CB-CE2 3.71Å; P64-F69 HydrophobicContact CB-CZ 4.38Å; P64-F69 HydrophobicContact CG-CE2 4.13Å; P64-F69 HydrophobicContact CG-CZ 4.36Å; V66-F69 PolarHBondContact O-N 2.87Å; F69-L72 HydrophobicContact CD1-CD1 4.39Å; F69-T73 WeakPolarHBondContact O-CG2 3.34Å
70V94Very high94.2Very high13 Ų1372.8 Ų72.88%0.07938%0.382CS..Hα-helixtrans-70.4-46.9173165.20000110.5V66 G67 E68 L72 T73 D75 Y77 K79 V82V66-V70 WeakPolarHBondContact O-CG2 3.48Å; V66-V70 PolarHBondContact O-N 2.71Å; V66-V70 VanDerWaalsContact O-N 3.11Å; G67-V70 PolarHBondContact O-N 3.37Å; E68-V70 VanDerWaalsContact C-N 3.28Å; E68-V70 PolarHBondContact O-N 2.7Å; V70-L72 VanDerWaalsContact C-N 3.31Å; V70-L72 PolarHBondContact O-N 3.34Å; V70-T73 PolarHBondContact O-N 2.59Å; V70-T73 PolarHBondContact O-OG1 3.16Å; V70-D75 WeakPolarHBondContact CG1-OD1 3.33Å; V70-D75 PolarHBondContact O-N 3.02Å; V70-Y77 VanDerWaalsContact CG1-O 3.26Å; V70-Y77 WeakPolarHBondContact CG1-O 3.27Å; V70-K79 HydrophobicContact CG2-CB 4.27Å; V70-V82 HydrophobicContact CG2-CG2 3.97Å
71F92.7Very high94.3Very high145 Ų14573.8 Ų73.864%0.63639%0.386SS*.Hα-helixtrans-57-42.8178.7176.6-102.5000112.3G67 E68 T73 D74G67-F71 PolarHBondContact O-N 3.22Å; E68-F71 WeakPolarHBondContact O-CB 3.48Å; E68-F71 PolarHBondContact O-N 3.2Å; F71-T73 PolarHBondContact O-N 3.13Å; F71-T73 VanDerWaalsContact O-N 3.11Å; F71-D74 PolarHBondContact O-N 3.42Å
72L90.6Very high94.3Very high39 Ų3966.9 Ų66.920%0.20435%0.351CS..THydrogen-bonded Turntrans-59.9-23.1176.3-76.5167.2000114.7W8 V12 Y16 E68 F69 V70 D74W8-L72 HydrophobicContact CZ2-CB 4.17Å; V12-L72 HydrophobicContact CB-CD1 4.31Å; V12-L72 HydrophobicContact CG1-CD1 3.45Å; V12-L72 VanDerWaalsContact CG1-CD1 3.45Å; V12-L72 HydrophobicContact CG2-CD1 3.98Å; V12-L72 HydrophobicContact CG2-CD2 4.22Å; Y16-L72 HydrophobicContact CD2-CD1 3.91Å; Y16-L72 HydrophobicContact CE2-CD1 3.37Å; Y16-L72 HydrophobicContact CE2-CD2 3.69Å; Y16-L72 HydrophobicContact CE2-CG 3.65Å; E68-L72 WeakPolarHBondContact O-CG 3.36Å; E68-L72 PolarHBondContact O-N 2.91Å; F69-L72 HydrophobicContact CD1-CD1 4.39Å; V70-L72 VanDerWaalsContact C-N 3.31Å; V70-L72 PolarHBondContact O-N 3.34Å; L72-D74 PolarHBondContact O-N 3.45Å
73T89.2Confident94.4Very high2 Ų259.8 Ų59.81%0.01233%0.327CS..THydrogen-bonded Turntrans-89.212.7177.366.20000112.7W8 Q45 T49 F69 V70 F71 D75 S76 Y77W8-T73 HydrophobicContact CH2-CG2 4.08Å; W8-T73 HydrophobicContact CZ2-CG2 4.28Å; Q45-T73 HydrophobicContact CG-CG2 4.36Å; T49-T73 HydrophobicContact CG2-CG2 4.11Å; T49-T73 WeakPolarHBondContact OG1-CG2 3.4Å; F69-T73 WeakPolarHBondContact O-CG2 3.34Å; V70-T73 PolarHBondContact O-N 2.59Å; V70-T73 PolarHBondContact O-OG1 3.16Å; F71-T73 PolarHBondContact O-N 3.13Å; F71-T73 VanDerWaalsContact O-N 3.11Å; T73-D75 PolarHBondContact O-N 3.18Å; T73-S76 WeakPolarHBondContact O-CB 3.41Å; T73-S76 PolarHBondContact O-N 2.81Å; T73-S76 PolarHBondContact O-OG 3.24Å; T73-Y77 HydrophobicContact CG2-CD2 3.99Å; T73-Y77 HydrophobicContact CG2-CE2 4.4Å
74D90.4Very high94.5Very high144 Ų14465.3 Ų65.377%0.7734%0.341SS*.THydrogen-bonded Turntrans5243.5-174.2-165.330.2000111.2F71 L72 S76F71-D74 PolarHBondContact O-N 3.42Å; L72-D74 PolarHBondContact O-N 3.45Å; D74-S76 PolarHBondContact O-N 3.43Å
75D87.6Confident94.6Very high116 Ų11666.2 Ų66.262%0.6234%0.344SS*.THydrogen-bonded Turntrans53.320.3-175.5-67.3-54000115V70 T73 Y77V70-D75 WeakPolarHBondContact CG1-OD1 3.33Å; V70-D75 PolarHBondContact O-N 3.02Å; T73-D75 PolarHBondContact O-N 3.18Å; D75-Y77 PolarHBondContact O-N 3.31Å; D75-Y77 VanDerWaalsContact O-N 3.11Å
76S92.3Very high94.8Very high73 Ų7360.2 Ų60.251%0.5132%0.316SS..SBendtrans-60.2-23.5176.2-670000112.6T73 D74T73-S76 WeakPolarHBondContact O-CB 3.41Å; T73-S76 PolarHBondContact O-N 2.81Å; T73-S76 PolarHBondContact O-OG 3.24Å; D74-S76 PolarHBondContact O-N 3.43Å
77Y95.5Very high94.9Very high17 Ų1766 Ų667%0.06734%0.343CS..SBendtrans-132.2145.3177.8-51.5-67.5000111.9S42 K43 Q45 L46 V70 T73 D75 Q81S42-Y77 PolarHBondContact O-OH 2.93Å; K43-Y77 HydrophobicContact CD-CE1 4.42Å; Q45-Y77 HydrophobicContact CB-CE2 3.99Å; Q45-Y77 HydrophobicContact CG-CE2 4.15Å; L46-Y77 HydrophobicContact CB-CD1 4Å; L46-Y77 HydrophobicContact CB-CD2 4.04Å; L46-Y77 HydrophobicContact CB-CE1 3.74Å; L46-Y77 HydrophobicContact CB-CE2 3.78Å; L46-Y77 HydrophobicContact CB-CG 4.13Å; L46-Y77 HydrophobicContact CD1-CD1 4.22Å; L46-Y77 HydrophobicContact CD1-CD2 4.22Å; L46-Y77 HydrophobicContact CD1-CG 3.89Å; L46-Y77 HydrophobicContact CD2-CD1 4.17Å; L46-Y77 HydrophobicContact CD2-CE1 4.37Å; L46-Y77 HydrophobicContact CG-CD1 4.36Å; L46-Y77 HydrophobicContact CG-CG 4.44Å; L46-Y77 PolarHBondContact N-OH 3.47Å; V70-Y77 VanDerWaalsContact CG1-O 3.26Å; V70-Y77 WeakPolarHBondContact CG1-O 3.27Å; T73-Y77 HydrophobicContact CG2-CD2 3.99Å; T73-Y77 HydrophobicContact CG2-CE2 4.4Å; D75-Y77 PolarHBondContact O-N 3.31Å; D75-Y77 VanDerWaalsContact O-N 3.11Å; Y77-Q81 VanDerWaalsContact CA-OE1 3.27Å
78T97Very high95.1Very high78 Ų7866.9 Ų66.948%0.47934%0.341SS..  trans-83.3155.8175.669.30000111.5A80 Q81 V82T78-A80 PolarHBondContact O-N 3.31Å; T78-A80 VanDerWaalsContact O-N 3.13Å; T78-Q81 WeakPolarHBondContact O-CA 3.42Å; T78-Q81 WeakPolarHBondContact O-CB 3.23Å; T78-Q81 PolarHBondContact O-N 2.9Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.21Å; T78-Q81 PolarHBondContact OG1-N 3.36Å; T78-V82 PolarHBondContact O-N 3.46Å; T78-V82 VanDerWaalsContact O-N 3.1Å
79K97.1Very high95.3Very high115 Ų11563 Ų6350%0.532%0.323SS..Hα-helixtrans-48.3-41.5171.4174.9168.7174.7160.60112.7V66 V70 Q81 V82 L83V66-K79 HydrophobicContact CG1-CD 3.63Å; V66-K79 HydrophobicContact CG1-CG 3.75Å; V66-K79 HydrophobicContact CG2-CG 4.2Å; V70-K79 HydrophobicContact CG2-CB 4.27Å; K79-Q81 VanDerWaalsContact C-N 3.31Å; K79-Q81 PolarHBondContact O-N 2.92Å; K79-V82 PolarHBondContact O-N 3.46Å; K79-L83 HydrophobicContact CG-CD1 3.95Å; K79-L83 HydrophobicContact CG-CG 4.42Å; K79-L83 WeakPolarHBondContact O-CG 3.48Å; K79-L83 PolarHBondContact O-N 3.08Å
80A97.7Very high95.5Very high59 Ų5963.9 Ų63.949%0.48833%0.327SS..Hα-helixtrans-65.2-33.317800000113T78 R84T78-A80 PolarHBondContact O-N 3.31Å; T78-A80 VanDerWaalsContact O-N 3.13Å; A80-R84 VanDerWaalsContact O-CB 3.25Å; A80-R84 WeakPolarHBondContact O-CB 3.47Å; A80-R84 PolarHBondContact O-N 2.72Å
81Q97.6Very high95.7Very high63 Ų6371 Ų7129%0.29436%0.357SS..Hα-helixtrans-70.9-42.4175.6-72172-37.200111.6L46 Y77 T78 K79 R84 M85L46-Q81 HydrophobicContact CD1-CB 4.36Å; L46-Q81 HydrophobicContact CD2-CB 4.37Å; Y77-Q81 VanDerWaalsContact CA-OE1 3.27Å; T78-Q81 WeakPolarHBondContact O-CA 3.42Å; T78-Q81 WeakPolarHBondContact O-CB 3.23Å; T78-Q81 PolarHBondContact O-N 2.9Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.21Å; T78-Q81 PolarHBondContact OG1-N 3.36Å; K79-Q81 VanDerWaalsContact C-N 3.31Å; K79-Q81 PolarHBondContact O-N 2.92Å; Q81-R84 PolarHBondContact O-N 3.39Å; Q81-M85 WeakPolarHBondContact O-CB 3.45Å; Q81-M85 PolarHBondContact O-N 3.16Å
82V97.9Very high96Very high0 Ų066.1 Ų66.10%034%0.337CS..Hα-helixtrans-62.4-49.6177179.80000110.5L46 T49 V66 V70 T78 K79 R84 M85 E86L46-V82 HydrophobicContact CD1-CB 4.47Å; L46-V82 HydrophobicContact CD1-CG2 3.9Å; T49-V82 HydrophobicContact CG2-CG1 4.46Å; T49-V82 HydrophobicContact CG2-CG2 4.46Å; V66-V82 HydrophobicContact CG2-CB 4.09Å; V66-V82 HydrophobicContact CG2-CG1 3.84Å; V70-V82 HydrophobicContact CG2-CG2 3.97Å; T78-V82 PolarHBondContact O-N 3.46Å; T78-V82 VanDerWaalsContact O-N 3.1Å; K79-V82 PolarHBondContact O-N 3.46Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 3.29Å; V82-M85 PolarHBondContact O-N 3.38Å; V82-M85 VanDerWaalsContact O-N 3.13Å; V82-E86 PolarHBondContact O-N 3.34Å
83L98.3Very high96.3Very high53 Ų5364.3 Ų64.328%0.27733%0.327SS..Hα-helixtrans-62.8-36.4177.9-67.5175.3000112.7Y53 V66 K79 E86 Q87Y53-L83 HydrophobicContact CE1-CD2 4.06Å; V66-L83 HydrophobicContact CG2-CD2 4.15Å; V66-L83 HydrophobicContact CG2-CG 4.27Å; K79-L83 HydrophobicContact CG-CD1 3.95Å; K79-L83 HydrophobicContact CG-CG 4.42Å; K79-L83 WeakPolarHBondContact O-CG 3.48Å; K79-L83 PolarHBondContact O-N 3.08Å; L83-E86 WeakPolarHBondContact O-CB 3.38Å; L83-Q87 WeakPolarHBondContact O-CG 3.49Å; L83-Q87 PolarHBondContact O-N 3.15Å
84R98.3Very high96.7Very high168 Ų16868.9 Ų68.963%0.63436%0.359SS*.Hα-helixtrans-67.1-42.6174.1-175.2178.6-66.9150.30.5111.3A80 Q81 V82 E86 Q87 V88A80-R84 VanDerWaalsContact O-CB 3.25Å; A80-R84 WeakPolarHBondContact O-CB 3.47Å; A80-R84 PolarHBondContact O-N 2.72Å; Q81-R84 PolarHBondContact O-N 3.39Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 3.29Å; R84-E86 VanDerWaalsContact C-N 3.33Å; R84-Q87 PolarHBondContact O-N 2.87Å; R84-V88 VanDerWaalsContact O-CG2 3.32Å; R84-V88 WeakPolarHBondContact O-CG2 3.33Å; R84-V88 PolarHBondContact O-N 3.43Å; R84-V88 VanDerWaalsContact O-N 3.12Å
85M98.3Very high97Very high32 Ų3268.8 Ų68.816%0.15835%0.353CS..Hα-helixtrans-64.3-41178-175.957.773.700111.2F33 L46 V47 A50 Q81 V82 Q87 V88 I89F33-M85 HydrophobicContact CZ-SD 4.23Å; L46-M85 HydrophobicContact CD1-CB 4.24Å; L46-M85 HydrophobicContact CD2-CB 4.36Å; L46-M85 HydrophobicContact CD2-CE 3.88Å; L46-M85 HydrophobicContact CG-CB 4.02Å; L46-M85 HydrophobicContact CG-CE 4.11Å; L46-M85 HydrophobicContact CG-CG 4.15Å; V47-M85 HydrophobicContact CG2-CE 3.78Å; V47-M85 HydrophobicContact CG2-CG 4.42Å; V47-M85 HydrophobicContact CG2-SD 3.88Å; A50-M85 HydrophobicContact CB-CB 3.8Å; A50-M85 HydrophobicContact CB-CG 3.56Å; Q81-M85 WeakPolarHBondContact O-CB 3.45Å; Q81-M85 PolarHBondContact O-N 3.16Å; V82-M85 PolarHBondContact O-N 3.38Å; V82-M85 VanDerWaalsContact O-N 3.13Å; M85-Q87 VanDerWaalsContact C-N 3.34Å; M85-Q87 PolarHBondContact O-N 2.68Å; M85-V88 WeakPolarHBondContact O-CB 3.44Å; M85-V88 PolarHBondContact O-N 2.93Å; M85-V88 VanDerWaalsContact O-N 3.11Å; M85-V88 HydrophobicContact SD-CB 4.47Å; M85-I89 HydrophobicContact CG-CD1 3.97Å; M85-I89 HydrophobicContact CG-CG1 4.29Å; M85-I89 WeakPolarHBondContact O-CG1 3.38Å; M85-I89 PolarHBondContact O-N 2.9Å; M85-I89 HydrophobicContact SD-CD1 4.48Å; M85-I89 HydrophobicContact SD-CG1 4.27Å
86E98.4Very high97.4Very high19 Ų1967.1 Ų67.19%0.08934%0.343CS..Hα-helixtrans-51.9-52.3172.2163.9-175.9-94.200111.5Y53 I54 K57 V82 L83 R84 V88 I89 L90Y53-E86 WeakPolarHBondContact CD1-OE1 3.26Å; Y53-E86 WeakPolarHBondContact CE1-OE1 3.46Å; I54-E86 HydrophobicContact CD1-CB 4.42Å; I54-E86 HydrophobicContact CD1-CG 4.16Å; I54-E86 HydrophobicContact CG1-CB 4.43Å; I54-E86 HydrophobicContact CG1-CG 3.89Å; K57-E86 WeakPolarHBondContact CE-OE1 3.44Å; K57-E86 IonicContact NZ-OE1 3.56Å; K57-E86 PolarHBondContact NZ-OE1 2.76Å; K57-E86 IonicContact NZ-OE2 2.82Å; V82-E86 PolarHBondContact O-N 3.34Å; L83-E86 WeakPolarHBondContact O-CB 3.38Å; R84-E86 VanDerWaalsContact C-N 3.33Å; E86-V88 PolarHBondContact O-N 3Å; E86-I89 PolarHBondContact O-N 3.03Å; E86-L90 HydrophobicContact CG-CD1 3.81Å; E86-L90 HydrophobicContact CG-CG 4.4Å; E86-L90 WeakPolarHBondContact O-CB 3.3Å; E86-L90 WeakPolarHBondContact O-CG 3.44Å; E86-L90 PolarHBondContact O-N 3.28Å
87Q98.3Very high97.5Very high129 Ų12964.8 Ų64.860%0.60333%0.325SS*.Hα-helixtrans-59.1-38.1179.2-70.5172.9-12.400112.2L83 R84 M85 K91L83-Q87 WeakPolarHBondContact O-CG 3.49Å; L83-Q87 PolarHBondContact O-N 3.15Å; R84-Q87 PolarHBondContact O-N 2.87Å; M85-Q87 VanDerWaalsContact C-N 3.34Å; M85-Q87 PolarHBondContact O-N 2.68Å; Q87-K91 VanDerWaalsContact O-CB 3.3Å; Q87-K91 WeakPolarHBondContact O-CB 3.28Å; Q87-K91 PolarHBondContact O-N 2.92Å
88V98.4Very high97.3Very high57 Ų5768.5 Ų68.535%0.34535%0.353SS..Hα-helixtrans-67.7-46.1177.7175.40000110.7F33 R84 M85 E86 K91 I92F33-V88 HydrophobicContact CE2-CG1 3.96Å; F33-V88 HydrophobicContact CZ-CG1 4.12Å; R84-V88 VanDerWaalsContact O-CG2 3.32Å; R84-V88 WeakPolarHBondContact O-CG2 3.33Å; R84-V88 PolarHBondContact O-N 3.43Å; R84-V88 VanDerWaalsContact O-N 3.12Å; M85-V88 WeakPolarHBondContact O-CB 3.44Å; M85-V88 PolarHBondContact O-N 2.93Å; M85-V88 VanDerWaalsContact O-N 3.11Å; M85-V88 HydrophobicContact SD-CB 4.47Å; E86-V88 PolarHBondContact O-N 3Å; V88-K91 PolarHBondContact O-N 3.38Å; V88-I92 HydrophobicContact CG1-CG1 4.48Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 2.99Å
89I98.4Very high96.9Very high0 Ų066 Ų660%034%0.338CS..Hα-helixtrans-60-51.9177-67.4172000110F33 V47 A50 A51 I54 M85 E86 K91 I92 L93F33-I89 HydrophobicContact CD2-CB 4.22Å; F33-I89 HydrophobicContact CD2-CG1 3.73Å; F33-I89 HydrophobicContact CD2-CG2 4.45Å; F33-I89 HydrophobicContact CE2-CB 4.48Å; F33-I89 HydrophobicContact CE2-CG1 3.85Å; F33-I89 HydrophobicContact CG-CG1 4.13Å; F33-I89 HydrophobicContact CZ-CG1 4.36Å; V47-I89 HydrophobicContact CG1-CD1 4.12Å; A50-I89 HydrophobicContact CB-CD1 3.73Å; A51-I89 HydrophobicContact CB-CD1 4.33Å; I54-I89 HydrophobicContact CD1-CB 3.77Å; I54-I89 HydrophobicContact CD1-CD1 4.34Å; I54-I89 HydrophobicContact CD1-CG2 3.58Å; M85-I89 HydrophobicContact CG-CD1 3.97Å; M85-I89 HydrophobicContact CG-CG1 4.29Å; M85-I89 WeakPolarHBondContact O-CG1 3.38Å; M85-I89 PolarHBondContact O-N 2.9Å; M85-I89 HydrophobicContact SD-CD1 4.48Å; M85-I89 HydrophobicContact SD-CG1 4.27Å; E86-I89 PolarHBondContact O-N 3.03Å; I89-K91 PolarHBondContact O-N 3.43Å; I89-I92 PolarHBondContact O-N 3.37Å; I89-I92 VanDerWaalsContact O-N 3.1Å; I89-L93 HydrophobicContact CG2-CD1 3.71Å; I89-L93 HydrophobicContact CG2-CG 4.1Å; I89-L93 WeakPolarHBondContact O-CB 3.49Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.36Å
90L98.4Very high96.7Very high19 Ų1963.9 Ų63.910%0.09934%0.335CS..Hα-helixtrans-57.4-39179.9-70.3172.5000112.4I54 E86 S94 F95 L97I54-L90 HydrophobicContact CD1-CD2 4.14Å; I54-L90 HydrophobicContact CD1-CG 3.98Å; I54-L90 HydrophobicContact CG1-CD2 4.34Å; I54-L90 HydrophobicContact CG1-CG 4.38Å; I54-L90 HydrophobicContact CG2-CD2 3.95Å; E86-L90 HydrophobicContact CG-CD1 3.81Å; E86-L90 HydrophobicContact CG-CG 4.4Å; E86-L90 WeakPolarHBondContact O-CB 3.3Å; E86-L90 WeakPolarHBondContact O-CG 3.44Å; E86-L90 PolarHBondContact O-N 3.28Å; L90-S94 PolarHBondContact O-N 2.91Å; L90-F95 HydrophobicContact CB-CD1 4.36Å; L90-F95 HydrophobicContact CB-CD2 4.39Å; L90-F95 HydrophobicContact CB-CE1 3.99Å; L90-F95 HydrophobicContact CB-CE2 4Å; L90-F95 HydrophobicContact CB-CZ 3.79Å; L90-F95 HydrophobicContact CD1-CE1 3.86Å; L90-F95 HydrophobicContact CD1-CZ 4.15Å; L90-F95 HydrophobicContact CD2-CD1 4.15Å; L90-F95 HydrophobicContact CD2-CE1 4.21Å; L90-F95 HydrophobicContact CG-CE1 4.25Å; L90-F95 HydrophobicContact CG-CZ 4.48Å; L90-F95 PolarHBondContact O-N 3.32Å; L90-L97 HydrophobicContact CD2-CD1 3.89Å; L90-L97 HydrophobicContact CD2-CD2 4.03Å; L90-L97 HydrophobicContact CD2-CG 4.39Å
91K97.9Very high96.6Very high164 Ų16461.5 Ų61.571%0.71332%0.315SS*.Hα-helixtrans-66.8-44.6176.2-174.4177.6-179.9-179.60112.3Q87 V88 I89 L93 S94Q87-K91 VanDerWaalsContact O-CB 3.3Å; Q87-K91 WeakPolarHBondContact O-CB 3.28Å; Q87-K91 PolarHBondContact O-N 2.92Å; V88-K91 PolarHBondContact O-N 3.38Å; I89-K91 PolarHBondContact O-N 3.43Å; K91-L93 VanDerWaalsContact C-N 3.35Å; K91-S94 PolarHBondContact O-N 2.98Å; K91-S94 VanDerWaalsContact O-N 3.13Å
92I97.9Very high96.5Very high41 Ų4158.9 Ų58.921%0.2130%0.304CS..Hα-helixtrans-66.9-38.1178.8-68.9-63.3000111.3F33 Q36 M37 V88 I89 S94F33-I92 HydrophobicContact CD2-CB 3.96Å; F33-I92 HydrophobicContact CD2-CG1 4.23Å; F33-I92 HydrophobicContact CD2-CG2 3.91Å; F33-I92 HydrophobicContact CE2-CB 4.1Å; F33-I92 HydrophobicContact CE2-CG1 3.85Å; F33-I92 HydrophobicContact CE2-CG2 4.35Å; Q36-I92 HydrophobicContact CB-CG2 3.92Å; Q36-I92 HydrophobicContact CG-CG2 4.41Å; Q36-I92 PolarHBondContact NE2-O 2.71Å; M37-I92 HydrophobicContact CG-CD1 4.06Å; M37-I92 HydrophobicContact CG-CG1 4.01Å; M37-I92 HydrophobicContact CG-CG2 4.27Å; M37-I92 HydrophobicContact SD-CD1 3.73Å; M37-I92 HydrophobicContact SD-CG1 4.25Å; V88-I92 HydrophobicContact CG1-CG1 4.48Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 2.99Å; I89-I92 PolarHBondContact O-N 3.37Å; I89-I92 VanDerWaalsContact O-N 3.1Å; I92-S94 PolarHBondContact O-N 3.36Å
93L97.1Very high96.5Very high1 Ų160.7 Ų60.71%0.00531%0.311CS..THydrogen-bonded Turntrans-77.8-3.9174.3-59.1-174.1000112.8Y29 R32 I89 K91 F95 D96 L97Y29-L93 HydrophobicContact CD1-CD1 3.81Å; Y29-L93 HydrophobicContact CG-CD1 4.04Å; R32-L93 HydrophobicContact CB-CD2 3.47Å; R32-L93 VanDerWaalsContact CB-CD2 3.47Å; I89-L93 HydrophobicContact CG2-CD1 3.71Å; I89-L93 HydrophobicContact CG2-CG 4.1Å; I89-L93 WeakPolarHBondContact O-CB 3.49Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.36Å; K91-L93 VanDerWaalsContact C-N 3.35Å; L93-F95 PolarHBondContact O-N 3.41Å; L93-F95 VanDerWaalsContact O-N 3.16Å; L93-D96 VanDerWaalsContact O-CB 3.24Å; L93-D96 WeakPolarHBondContact O-CB 3.43Å; L93-D96 PolarHBondContact O-N 3.38Å; L93-L97 HydrophobicContact CD1-CD2 4.21Å
94S97.1Very high96.4Very high98 Ų9861 Ų6169%0.68532%0.315SS*.THydrogen-bonded Turntrans52.433.8-175.9-57.30000113.3L90 K91 I92 D96L90-S94 PolarHBondContact O-N 2.91Å; K91-S94 PolarHBondContact O-N 2.98Å; K91-S94 VanDerWaalsContact O-N 3.13Å; I92-S94 PolarHBondContact O-N 3.36Å; S94-D96 PolarHBondContact O-N 3.22Å; S94-D96 VanDerWaalsContact O-N 3.11Å
95F96.9Very high96.3Very high143 Ų14355.6 Ų55.663%0.62730%0.296SS*.THydrogen-bonded Turntrans56.517.6-173.7-68.9-102.4000115L90 L93 L97L90-F95 HydrophobicContact CB-CD1 4.36Å; L90-F95 HydrophobicContact CB-CD2 4.39Å; L90-F95 HydrophobicContact CB-CE1 3.99Å; L90-F95 HydrophobicContact CB-CE2 4Å; L90-F95 HydrophobicContact CB-CZ 3.79Å; L90-F95 HydrophobicContact CD1-CE1 3.86Å; L90-F95 HydrophobicContact CD1-CZ 4.15Å; L90-F95 HydrophobicContact CD2-CD1 4.15Å; L90-F95 HydrophobicContact CD2-CE1 4.21Å; L90-F95 HydrophobicContact CG-CE1 4.25Å; L90-F95 HydrophobicContact CG-CZ 4.48Å; L90-F95 PolarHBondContact O-N 3.32Å; L93-F95 PolarHBondContact O-N 3.41Å; L93-F95 VanDerWaalsContact O-N 3.16Å; F95-L97 VanDerWaalsContact C-N 3.29Å; F95-L97 PolarHBondContact O-N 3.34Å
96D96.3Very high96.2Very high80 Ų8054.1 Ų54.143%0.42829%0.289SS..  trans-80.477.7174.4179.636.1000110.3R32 L93 S94R32-D96 IonicContact CZ-OD2 3.37Å; R32-D96 VanDerWaalsContact CZ-OD2 3.32Å; R32-D96 PolarHBondContact NH1-O 3.45Å; R32-D96 IonicContact NH1-OD2 2.68Å; R32-D96 PolarHBondContact NH1-OD2 2.79Å; R32-D96 IonicContact NH2-OD2 2.7Å; R32-D96 PolarHBondContact NH2-OD2 3.19Å; L93-D96 VanDerWaalsContact O-CB 3.24Å; L93-D96 WeakPolarHBondContact O-CB 3.43Å; L93-D96 PolarHBondContact O-N 3.38Å; S94-D96 PolarHBondContact O-N 3.22Å; S94-D96 VanDerWaalsContact O-N 3.11Å
97L94.7Very high96.1Very high24 Ų2454.9 Ų54.913%0.12629%0.293CS..  trans-94.4-24.2-176-59.7-174.8000113Y29 I54 Y58 L90 L93 F95 T99Y29-L97 HydrophobicContact CD1-CD2 4.18Å; Y29-L97 HydrophobicContact CE1-CB 4.18Å; Y29-L97 HydrophobicContact CE1-CD2 3.75Å; Y29-L97 HydrophobicContact CE2-CD2 4.29Å; Y29-L97 WeakPolarHBondContact OH-CB 3.42Å; Y29-L97 PolarHBondContact OH-O 2.88Å; Y29-L97 VanDerWaalsContact OH-O 3.06Å; I54-L97 HydrophobicContact CG2-CD1 3.93Å; I54-L97 HydrophobicContact CG2-CD2 4.02Å; Y58-L97 HydrophobicContact CD2-CB 4.1Å; Y58-L97 HydrophobicContact CD2-CD1 4.2Å; Y58-L97 HydrophobicContact CE2-CB 4.09Å; L90-L97 HydrophobicContact CD2-CD1 3.89Å; L90-L97 HydrophobicContact CD2-CD2 4.03Å; L90-L97 HydrophobicContact CD2-CG 4.39Å; L93-L97 HydrophobicContact CD1-CD2 4.21Å; F95-L97 VanDerWaalsContact C-N 3.29Å; F95-L97 PolarHBondContact O-N 3.34Å; L97-T99 PolarHBondContact O-N 3.48Å
98C91.6Very high96Very high96 Ų9651.7 Ų51.765%0.64928%0.283SS*.  trans-78.795.4-176.7-172.30000110.4
99T88.2Confident95.9Very high26 Ų2649.4 Ų49.416%0.1627%0.268CS..  trans-123.2143.5174.3-172.90000110.6L25 F28 L97L25-T99 HydrophobicContact CD2-CG2 3.69Å; F28-T99 HydrophobicContact CB-CG2 4.49Å; F28-T99 HydrophobicContact CD1-CG2 3.31Å; F28-T99 HydrophobicContact CD2-CG2 4.06Å; F28-T99 VanDerWaalsContact CE1-CB 3.49Å; F28-T99 HydrophobicContact CE1-CG2 3.22Å; F28-T99 HydrophobicContact CE2-CG2 3.99Å; F28-T99 HydrophobicContact CG-CG2 3.71Å; F28-T99 VanDerWaalsContact CZ-CB 3.41Å; F28-T99 HydrophobicContact CZ-CG2 3.55Å; F28-T99 VanDerWaalsContact CZ-OG1 3.28Å; F28-T99 WeakPolarHBondContact CZ-OG1 3.28Å; L97-T99 PolarHBondContact O-N 3.48Å
100P92.8Very high95.7Very high70 Ų7050.1 Ų50.146%0.45527%0.274SS..  trans-70.9134.2166.230.2-33.7000109.9F105 P142P100-F105 HydrophobicContact CB-CE2 3.81Å; P100-F105 HydrophobicContact CB-CZ 4.24Å; P100-F105 HydrophobicContact CG-CE2 4.46Å; P100-P142 WeakPolarHBondContact O-CG 3.21Å
101T95.9Very high95.6Very high8 Ų855 Ų555%0.04930%0.304CS..  trans-104.3165.4173.768.90000110.6E21 L25 Y103 V104 F105E21-T101 VanDerWaalsContact CD-OG1 3.24Å; E21-T101 WeakPolarHBondContact OE1-CG2 3.41Å; E21-T101 PolarHBondContact OE1-OG1 3.18Å; E21-T101 VanDerWaalsContact OE1-OG1 3.11Å; E21-T101 WeakPolarHBondContact OE2-CB 3.28Å; E21-T101 PolarHBondContact OE2-OG1 2.94Å; L25-T101 HydrophobicContact CD2-CG2 3.83Å; L25-T101 HydrophobicContact CG-CG2 4.21Å; T101-Y103 PolarHBondContact O-N 3.21Å; T101-Y103 PolarHBondContact OG1-N 3.36Å; T101-V104 PolarHBondContact O-N 2.91Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.44Å; T101-V104 PolarHBondContact OG1-N 3.34Å; T101-V104 VanDerWaalsContact OG1-N 3.16Å; T101-F105 VanDerWaalsContact O-CD2 3.26Å; T101-F105 WeakPolarHBondContact O-CD2 3.39Å; T101-F105 PolarHBondContact O-N 3.44Å
102A96.1Very high95.4Very high8 Ų851.3 Ų51.37%0.06629%0.292CS..Hα-helixtrans-63-32.417300000111.1Y24 F105 I106 M145Y24-A102 HydrophobicContact CE1-CB 3.94Å; A102-F105 PolarHBondContact O-N 3.23Å; A102-I106 WeakPolarHBondContact O-CD1 3.31Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 2.87Å; A102-M145 HydrophobicContact CB-CB 4.37Å
103Y96.6Very high95.2Very high38 Ų3851.1 Ų51.115%0.14929%0.294CS..Hα-helixtrans-59.7-46.7176.1175.2-98.9000112.3D19 T20 E21 T101 F105 I106 N107 L124D19-Y103 WeakPolarHBondContact OD1-CE1 3.43Å; D19-Y103 PolarHBondContact OD1-OH 2.95Å; T20-Y103 HydrophobicContact CG2-CD2 3.56Å; T20-Y103 HydrophobicContact CG2-CE2 3.81Å; T20-Y103 HydrophobicContact CG2-CG 4.3Å; E21-Y103 HydrophobicContact CB-CD1 3.66Å; E21-Y103 HydrophobicContact CB-CE1 3.72Å; E21-Y103 HydrophobicContact CG-CD1 4.35Å; E21-Y103 WeakPolarHBondContact OE2-CB 3.41Å; E21-Y103 WeakPolarHBondContact OE2-CD1 3.39Å; T101-Y103 PolarHBondContact O-N 3.21Å; T101-Y103 PolarHBondContact OG1-N 3.36Å; Y103-F105 VanDerWaalsContact C-N 3.34Å; Y103-F105 PolarHBondContact O-N 3.47Å; Y103-I106 PolarHBondContact O-N 2.79Å; Y103-N107 WeakPolarHBondContact CD1-ND2 3.42Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.46Å; Y103-N107 WeakPolarHBondContact CE1-ND2 3.49Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.38Å; Y103-N107 PolarHBondContact O-N 3.42Å; Y103-N107 PolarHBondContact O-ND2 3.41Å; Y103-L124 HydrophobicContact CD2-CD2 3.57Å; Y103-L124 HydrophobicContact CE2-CD2 4.03Å
104V96.1Very high95Very high59 Ų5958 Ų5836%0.35833%0.331SS..Hα-helixtrans-59.9-43.8177.1172.90000111.4E21 T101 N107 T108E21-V104 WeakPolarHBondContact OE1-CG2 3.3Å; T101-V104 PolarHBondContact O-N 2.91Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.44Å; T101-V104 PolarHBondContact OG1-N 3.34Å; T101-V104 VanDerWaalsContact OG1-N 3.16Å; V104-N107 PolarHBondContact O-N 2.95Å; V104-T108 WeakPolarHBondContact O-CB 3.43Å; V104-T108 PolarHBondContact O-N 3.41Å; V104-T108 PolarHBondContact O-OG1 3.08Å
105F97.3Very high94.8Very high56 Ų5654.2 Ų54.225%0.24630%0.302CS..Hα-helixtrans-63.8-43.9175.8-76.8-68.7000112.3P100 T101 A102 Y103 N107 T108 Y109 P142 S146P100-F105 HydrophobicContact CB-CE2 3.81Å; P100-F105 HydrophobicContact CB-CZ 4.24Å; P100-F105 HydrophobicContact CG-CE2 4.46Å; T101-F105 VanDerWaalsContact O-CD2 3.26Å; T101-F105 WeakPolarHBondContact O-CD2 3.39Å; T101-F105 PolarHBondContact O-N 3.44Å; A102-F105 PolarHBondContact O-N 3.23Å; Y103-F105 VanDerWaalsContact C-N 3.34Å; Y103-F105 PolarHBondContact O-N 3.47Å; F105-N107 VanDerWaalsContact C-N 3.34Å; F105-N107 PolarHBondContact O-N 2.82Å; F105-T108 WeakPolarHBondContact O-CB 3.49Å; F105-T108 PolarHBondContact O-N 2.98Å; F105-Y109 HydrophobicContact CB-CE1 4.45Å; F105-Y109 HydrophobicContact CB-CE2 4.11Å; F105-Y109 HydrophobicContact CD1-CE1 4.24Å; F105-Y109 WeakPolarHBondContact O-CD1 3.45Å; F105-Y109 WeakPolarHBondContact O-CD2 3.36Å; F105-Y109 PolarHBondContact O-N 3.07Å; F105-P142 HydrophobicContact CD2-CB 4.16Å; F105-P142 HydrophobicContact CE2-CB 4.13Å; F105-S146 VanDerWaalsContact CB-OG 3.24Å; F105-S146 WeakPolarHBondContact CB-OG 3.24Å
106I96.8Very high94.7Very high0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-60-45.1178.4-68.6161.8000110.7A102 Y103 T108 Y109 A110 M115 T123 L124A102-I106 WeakPolarHBondContact O-CD1 3.31Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 2.87Å; Y103-I106 PolarHBondContact O-N 2.79Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.99Å; I106-Y109 PolarHBondContact O-N 3.2Å; I106-A110 WeakPolarHBondContact O-CB 3.18Å; I106-A110 PolarHBondContact O-N 3.37Å; I106-M115 HydrophobicContact CG2-CE 4.49Å; I106-M115 WeakPolarHBondContact O-CE 3.19Å; I106-T123 HydrophobicContact CB-CG2 4.43Å; I106-T123 HydrophobicContact CD1-CG2 3.84Å; I106-T123 HydrophobicContact CG1-CG2 3.76Å; I106-T123 HydrophobicContact CG2-CG2 3.76Å; 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
107N96Very high94.6Very high35 Ų3552.9 Ų52.919%0.18730%0.301CS..Hα-helixtrans-64.7-38176.7-77.9-63000112.1Y103 V104 F105 A110 V111 K120Y103-N107 WeakPolarHBondContact CD1-ND2 3.42Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.46Å; Y103-N107 WeakPolarHBondContact CE1-ND2 3.49Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.38Å; Y103-N107 PolarHBondContact O-N 3.42Å; Y103-N107 PolarHBondContact O-ND2 3.41Å; V104-N107 PolarHBondContact O-N 2.95Å; F105-N107 VanDerWaalsContact C-N 3.34Å; F105-N107 PolarHBondContact O-N 2.82Å; N107-A110 WeakPolarHBondContact O-CB 3.35Å; N107-A110 PolarHBondContact O-N 2.92Å; N107-V111 PolarHBondContact O-N 3.22Å; N107-K120 WeakPolarHBondContact OD1-CE 3.49Å; N107-K120 PolarHBondContact OD1-NZ 2.54Å
108T96Very high94.5Very high62 Ų6259.1 Ų59.138%0.3833%0.328SS..Hα-helixtrans-62.5-46.6175.2-58.20000110.9V104 F105 I106 A110 V111 L112V104-T108 WeakPolarHBondContact O-CB 3.43Å; V104-T108 PolarHBondContact O-N 3.41Å; V104-T108 PolarHBondContact O-OG1 3.08Å; F105-T108 WeakPolarHBondContact O-CB 3.49Å; F105-T108 PolarHBondContact O-N 2.98Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.99Å; T108-A110 PolarHBondContact O-N 3.43Å; T108-V111 PolarHBondContact O-N 3.06Å; T108-L112 HydrophobicContact CG2-CD1 3.75Å; T108-L112 HydrophobicContact CG2-CG 4.31Å; T108-L112 WeakPolarHBondContact O-CB 3.38Å; T108-L112 VanDerWaalsContact O-CG 3.32Å; T108-L112 WeakPolarHBondContact O-CG 3.45Å; T108-L112 PolarHBondContact O-N 3.07Å
109Y94.9Very high94.7Very high10 Ų1054.6 Ų54.64%0.03930%0.297CS..Hα-helixtrans-63.9-33.2176.3-55-20.5000111.5F105 I106 V111 L112 C113 S146 S147 V150 I169 T170F105-Y109 HydrophobicContact CB-CE1 4.45Å; F105-Y109 HydrophobicContact CB-CE2 4.11Å; F105-Y109 HydrophobicContact CD1-CE1 4.24Å; F105-Y109 WeakPolarHBondContact O-CD1 3.45Å; F105-Y109 WeakPolarHBondContact O-CD2 3.36Å; F105-Y109 PolarHBondContact O-N 3.07Å; I106-Y109 PolarHBondContact O-N 3.2Å; Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.19Å; Y109-L112 PolarHBondContact O-N 3.13Å; Y109-C113 VanDerWaalsContact O-CB 3.3Å; Y109-C113 WeakPolarHBondContact O-CB 3.33Å; Y109-C113 PolarHBondContact O-N 3.33Å; Y109-S146 VanDerWaalsContact CE2-OG 3.29Å; Y109-S146 WeakPolarHBondContact CE2-OG 3.36Å; Y109-S146 PolarHBondContact OH-OG 3.19Å; Y109-S147 PolarHBondContact OH-OG 3.17Å; Y109-V150 HydrophobicContact CD2-CG2 4.15Å; Y109-I169 HydrophobicContact CD1-CG2 4.4Å; Y109-T170 HydrophobicContact CD1-CG2 4.35Å; Y109-T170 HydrophobicContact CE1-CG2 3.78Å; Y109-T170 HydrophobicContact CE2-CG2 4.08Å
110A95.2Very high95.1Very high14 Ų1456.2 Ų56.212%0.11630%0.302CS..Hα-helixtrans-62.4-42.4-179.500000111.1I106 N107 T108 D114 M115 K120I106-A110 WeakPolarHBondContact O-CB 3.18Å; I106-A110 PolarHBondContact O-N 3.37Å; N107-A110 WeakPolarHBondContact O-CB 3.35Å; N107-A110 PolarHBondContact O-N 2.92Å; T108-A110 PolarHBondContact O-N 3.43Å; A110-D114 WeakPolarHBondContact O-CA 3.37Å; A110-D114 PolarHBondContact O-N 3.35Å; A110-M115 HydrophobicContact CB-CB 4.28Å; A110-M115 HydrophobicContact CB-CE 3.6Å; A110-M115 VanDerWaalsContact N-CE 3.27Å; A110-M115 PolarHBondContact O-N 3.22Å; A110-K120 HydrophobicContact CB-CD 4.12Å; A110-K120 HydrophobicContact CB-CG 4.49Å
111V95.9Very high95.1Very high123 Ų12357.4 Ų57.475%0.74530%0.298SS*.Hα-helixtrans-72.7-47.7176.6178.20000111.4N107 T108 Y109 C113N107-V111 PolarHBondContact O-N 3.22Å; T108-V111 PolarHBondContact O-N 3.06Å; Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.19Å; V111-C113 VanDerWaalsContact C-N 3.32Å; V111-C113 PolarHBondContact O-N 3.16Å
112L94.9Very high95Very high86 Ų8659.2 Ų59.245%0.4531%0.306SS..Hα-helixtrans-70.7-25.4-173.5-68.3178.1000114.3T108 Y109 I169T108-L112 HydrophobicContact CG2-CD1 3.75Å; T108-L112 HydrophobicContact CG2-CG 4.31Å; T108-L112 WeakPolarHBondContact O-CB 3.38Å; T108-L112 VanDerWaalsContact O-CG 3.32Å; T108-L112 WeakPolarHBondContact O-CG 3.45Å; T108-L112 PolarHBondContact O-N 3.07Å; Y109-L112 PolarHBondContact O-N 3.13Å; L112-I169 HydrophobicContact CB-CD1 3.93Å; L112-I169 HydrophobicContact CD1-CG2 3.75Å
113C92.8Very high95Very high37 Ų3758.9 Ų58.925%0.2530%0.303CS..THydrogen-bonded Turntrans-112.17-178.1-60.90000113.6Y109 V111 M115 I169Y109-C113 VanDerWaalsContact O-CB 3.3Å; Y109-C113 WeakPolarHBondContact O-CB 3.33Å; Y109-C113 PolarHBondContact O-N 3.33Å; V111-C113 VanDerWaalsContact C-N 3.32Å; V111-C113 PolarHBondContact O-N 3.16Å; C113-M115 VanDerWaalsContact C-N 3.28Å; C113-M115 HydrophobicContact CB-CG 4.07Å; C113-M115 PolarHBondContact O-N 3.41Å; C113-I169 VanDerWaalsContact SG-CD1 3.51Å
114D92.9Very high95Very high146 Ų14657.5 Ų57.578%0.78130%0.298SS*.THydrogen-bonded Turntrans48.551.2-175.6-165.235000111.5A110 P116A110-D114 WeakPolarHBondContact O-CA 3.37Å; A110-D114 PolarHBondContact O-N 3.35Å; D114-P116 WeakPolarHBondContact O-CD 3.46Å
115M93.6Very high94.8Very high18 Ų1856.1 Ų56.19%0.08929%0.287CS..  trans-67.8129.6-173.5-68-158-67.800110.4I106 A110 C113 L119 V150I106-M115 HydrophobicContact CG2-CE 4.49Å; I106-M115 WeakPolarHBondContact O-CE 3.19Å; A110-M115 HydrophobicContact CB-CB 4.28Å; A110-M115 HydrophobicContact CB-CE 3.6Å; A110-M115 VanDerWaalsContact N-CE 3.27Å; A110-M115 PolarHBondContact O-N 3.22Å; C113-M115 VanDerWaalsContact C-N 3.28Å; C113-M115 HydrophobicContact CB-CG 4.07Å; C113-M115 PolarHBondContact O-N 3.41Å; M115-L119 HydrophobicContact CB-CD2 4.23Å; M115-L119 HydrophobicContact CG-CD2 4.15Å; M115-L119 HydrophobicContact SD-CD2 3.89Å; M115-L119 HydrophobicContact SD-CG 4.25Å; M115-V150 HydrophobicContact CE-CG2 4.29Å; M115-V150 HydrophobicContact SD-CG1 4.15Å; M115-V150 HydrophobicContact SD-CG2 4.23Å
116P94.6Very high94.7Very high69 Ų6953.5 Ų53.545%0.44828%0.276SS..  trans-56.6144.6173.3-24.733.6000111.3D114 K118 L119 K120D114-P116 WeakPolarHBondContact O-CD 3.46Å; P116-K118 VanDerWaalsContact C-N 3.28Å; P116-K118 PolarHBondContact O-N 2.9Å; P116-L119 HydrophobicContact CB-CB 4.43Å; P116-L119 WeakPolarHBondContact O-CA 3.22Å; P116-L119 WeakPolarHBondContact O-CB 3.28Å; P116-L119 PolarHBondContact O-N 2.91Å; P116-K120 PolarHBondContact O-N 2.87Å
117E93.2Very high94.6Very high126 Ų12653.5 Ų53.559%0.58928%0.276SS*.Hα-helixtrans-56.2-42.2-176.1-166-179.5-175.600112.5L119 K120 Y121E117-L119 VanDerWaalsContact C-N 3.28Å; E117-L119 PolarHBondContact O-N 2.92Å; E117-K120 WeakPolarHBondContact O-CB 3.05Å; E117-K120 PolarHBondContact O-N 3.39Å; E117-K120 VanDerWaalsContact O-N 3.09Å; E117-Y121 HydrophobicContact CG-CD2 3.83Å; E117-Y121 HydrophobicContact CG-CE2 3.34Å; E117-Y121 WeakPolarHBondContact O-CD2 3.09Å; E117-Y121 PolarHBondContact O-N 2.92Å; E117-Y121 WeakPolarHBondContact OE1-CE2 3.45Å; E117-Y121 PolarHBondContact OE1-OH 2.9Å
118K93.9Very high94.5Very high155 Ų15551.9 Ų51.967%0.67427%0.267SS*.Hα-helixtrans-58.4-37.2174.1-172.2175.3-175.3176.70113.2P116 M122 L157P116-K118 VanDerWaalsContact C-N 3.28Å; P116-K118 PolarHBondContact O-N 2.9Å; K118-M122 WeakPolarHBondContact O-CB 3.17Å; K118-M122 PolarHBondContact O-N 2.92Å; K118-M122 VanDerWaalsContact O-N 3.15Å; K118-L157 HydrophobicContact CD-CD2 4.21Å; K118-L157 HydrophobicContact CG-CD1 4.41Å; K118-L157 HydrophobicContact CG-CD2 4.25Å
119L95.4Very high94.3Very high1 Ų149.2 Ų49.21%0.00525%0.25CS..Hα-helixtrans-70.3-41.9175.817361.6000110.6M115 P116 E117 M122 T123 A153 R154 L157 M159M115-L119 HydrophobicContact CB-CD2 4.23Å; M115-L119 HydrophobicContact CG-CD2 4.15Å; M115-L119 HydrophobicContact SD-CD2 3.89Å; M115-L119 HydrophobicContact SD-CG 4.25Å; P116-L119 HydrophobicContact CB-CB 4.43Å; P116-L119 WeakPolarHBondContact O-CA 3.22Å; P116-L119 WeakPolarHBondContact O-CB 3.28Å; P116-L119 PolarHBondContact O-N 2.91Å; E117-L119 VanDerWaalsContact C-N 3.28Å; E117-L119 PolarHBondContact O-N 2.92Å; L119-M122 PolarHBondContact O-N 3.22Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-OG1 3.1Å; L119-A153 HydrophobicContact CD1-CB 3.65Å; L119-R154 HydrophobicContact CD1-CB 4.38Å; L119-R154 HydrophobicContact CD1-CG 3.57Å; L119-R154 HydrophobicContact CD2-CG 3.78Å; L119-R154 HydrophobicContact CG-CG 4.34Å; L119-L157 HydrophobicContact CB-CD1 4Å; L119-L157 HydrophobicContact CD1-CD1 3.98Å; L119-M159 HydrophobicContact CD2-SD 4.26Å
120K95.3Very high94.1Very high60 Ų6049.2 Ų49.226%0.26125%0.251SS..Hα-helixtrans-59-51.5176.1-179.6-179.1172.7179.30111.2N107 A110 P116 E117 M122 T123 L124N107-K120 WeakPolarHBondContact OD1-CE 3.49Å; N107-K120 PolarHBondContact OD1-NZ 2.54Å; A110-K120 HydrophobicContact CB-CD 4.12Å; A110-K120 HydrophobicContact CB-CG 4.49Å; P116-K120 PolarHBondContact O-N 2.87Å; E117-K120 WeakPolarHBondContact O-CB 3.05Å; E117-K120 PolarHBondContact O-N 3.39Å; E117-K120 VanDerWaalsContact O-N 3.09Å; K120-M122 PolarHBondContact O-N 3.09Å; K120-T123 WeakPolarHBondContact O-CB 3.45Å; K120-T123 PolarHBondContact O-N 3.29Å; K120-T123 VanDerWaalsContact O-N 3.16Å; K120-L124 HydrophobicContact CG-CD1 4.04Å; K120-L124 HydrophobicContact CG-CG 4.44Å; K120-L124 WeakPolarHBondContact O-CG 3.4Å; K120-L124 PolarHBondContact O-N 3.45Å
121Y93.8Very high93.9Very high95 Ų9549.5 Ų49.537%0.37325%0.251SS..Hα-helixtrans-62.8-42.1179.3-71-56.1000113E117 T123 L124 Y125 Y203E117-Y121 HydrophobicContact CG-CD2 3.83Å; E117-Y121 HydrophobicContact CG-CE2 3.34Å; E117-Y121 WeakPolarHBondContact O-CD2 3.09Å; E117-Y121 PolarHBondContact O-N 2.92Å; E117-Y121 WeakPolarHBondContact OE1-CE2 3.45Å; E117-Y121 PolarHBondContact OE1-OH 2.9Å; Y121-T123 VanDerWaalsContact C-N 3.28Å; Y121-T123 PolarHBondContact O-N 3.33Å; Y121-L124 PolarHBondContact O-N 3.39Å; Y121-Y125 WeakPolarHBondContact O-CB 3.33Å; Y121-Y125 PolarHBondContact O-N 3.05Å; Y121-Y203 HydrophobicContact CD1-CE1 4.5Å; Y121-Y203 WeakPolarHBondContact O-CE1 3.38Å
122M94.5Very high93.5Very high46 Ų4644.6 Ų44.623%0.22722%0.22CC..Hα-helixtrans-61.4-39.3175.1-177.863.271.400111.7K118 L119 K120 Y125 I126 A153 I156 L157K118-M122 WeakPolarHBondContact O-CB 3.17Å; K118-M122 PolarHBondContact O-N 2.92Å; K118-M122 VanDerWaalsContact O-N 3.15Å; L119-M122 PolarHBondContact O-N 3.22Å; K120-M122 PolarHBondContact O-N 3.09Å; M122-Y125 HydrophobicContact SD-CD1 4.35Å; M122-I126 HydrophobicContact CG-CD1 4Å; M122-I126 WeakPolarHBondContact O-CD1 3.49Å; M122-I126 VanDerWaalsContact O-CG1 3.28Å; M122-I126 WeakPolarHBondContact O-CG1 3.36Å; M122-I126 PolarHBondContact O-N 3.02Å; M122-I126 VanDerWaalsContact O-N 3.08Å; M122-I126 HydrophobicContact SD-CD1 4.18Å; M122-I126 HydrophobicContact SD-CG1 4.5Å; M122-A153 HydrophobicContact CB-CB 4.07Å; M122-A153 HydrophobicContact CG-CB 3.68Å; M122-I156 HydrophobicContact CE-CG2 4.04Å; M122-I156 HydrophobicContact SD-CG2 4.32Å; M122-L157 HydrophobicContact CB-CD1 4.32Å; M122-L157 HydrophobicContact CE-CD2 4.46Å
123T96.3Very high93.1Very high0 Ų043.5 Ų43.50%021%0.213CC..Hα-helixtrans-64.3-47.8176.7-58.90000111.2I106 L119 K120 Y121 I126 S127 V150 A153I106-T123 HydrophobicContact CB-CG2 4.43Å; I106-T123 HydrophobicContact CD1-CG2 3.84Å; I106-T123 HydrophobicContact CG1-CG2 3.76Å; I106-T123 HydrophobicContact CG2-CG2 3.76Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-OG1 3.1Å; K120-T123 WeakPolarHBondContact O-CB 3.45Å; K120-T123 PolarHBondContact O-N 3.29Å; K120-T123 VanDerWaalsContact O-N 3.16Å; Y121-T123 VanDerWaalsContact C-N 3.28Å; Y121-T123 PolarHBondContact O-N 3.33Å; T123-I126 PolarHBondContact O-N 3.46Å; T123-S127 WeakPolarHBondContact O-CB 3.38Å; T123-S127 PolarHBondContact O-N 3.09Å; T123-V150 HydrophobicContact CG2-CB 4.3Å; T123-V150 HydrophobicContact CG2-CG2 3.47Å; T123-V150 VanDerWaalsContact CG2-CG2 3.47Å; T123-A153 VanDerWaalsContact OG1-CB 3.31Å; T123-A153 WeakPolarHBondContact OG1-CB 3.41Å
124L95.1Very high92.5Very high9 Ų942.1 Ų42.15%0.04721%0.205CC..Hα-helixtrans-62.2-43.5179.1-69.8172.6000111.3Y103 I106 K120 Y121 I126 S127 E128 Y203Y103-L124 HydrophobicContact CD2-CD2 3.57Å; Y103-L124 HydrophobicContact CE2-CD2 4.03Å; 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 4.04Å; K120-L124 HydrophobicContact CG-CG 4.44Å; K120-L124 WeakPolarHBondContact O-CG 3.4Å; K120-L124 PolarHBondContact O-N 3.45Å; Y121-L124 PolarHBondContact O-N 3.39Å; L124-I126 PolarHBondContact O-N 3.1Å; L124-S127 PolarHBondContact O-N 3.26Å; L124-E128 WeakPolarHBondContact O-CB 3.38Å; L124-E128 WeakPolarHBondContact O-CG 3.17Å; L124-E128 PolarHBondContact O-N 3.25Å; L124-Y203 HydrophobicContact CB-CE1 4.17Å; L124-Y203 WeakPolarHBondContact CB-OH 3.33Å
125Y93.3Very high92Very high31 Ų3144.6 Ų44.612%0.12221%0.212CC..Hα-helixtrans-56.7-50.4174.6173.1-115.1000112.3Y121 M122 S127 E128 L129 H188 R200 Y203Y121-Y125 WeakPolarHBondContact O-CB 3.33Å; Y121-Y125 PolarHBondContact O-N 3.05Å; M122-Y125 HydrophobicContact SD-CD1 4.35Å; Y125-S127 VanDerWaalsContact C-N 3.31Å; Y125-S127 PolarHBondContact O-N 3.49Å; Y125-E128 PolarHBondContact O-N 2.97Å; Y125-L129 HydrophobicContact CD1-CD1 4.33Å; Y125-L129 HydrophobicContact CE1-CD1 3.77Å; Y125-L129 HydrophobicContact CE2-CD1 4.21Å; Y125-L129 HydrophobicContact CE2-CD2 4.17Å; Y125-L129 HydrophobicContact CE2-CG 4.13Å; Y125-L129 WeakPolarHBondContact O-CG 3.36Å; Y125-L129 PolarHBondContact O-N 2.54Å; Y125-H188 AromaticContact CE1-CE1 3.83Å; Y125-H188 AromaticContact CE1-ND1 3.73Å; Y125-R200 HydrophobicContact CE2-CG 4.48Å; Y125-Y203 HydrophobicContact CD2-CD1 4.48Å; Y125-Y203 AromaticContact CD2-CD2 3.63Å; Y125-Y203 HydrophobicContact CD2-CD2 3.63Å; Y125-Y203 HydrophobicContact CD2-CE2 4.26Å; Y125-Y203 AromaticContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CG-CD2 4.36Å; Y125-Y203 HydrophobicContact CG-CG 4.2Å
126I94.1Very high91.8Very high1 Ų145.5 Ų45.51%0.00522%0.218CC..Hα-helixtrans-61.7-42.1178.5-70.4165.1000111.1M122 T123 L124 L129 S130 L152 A153 I156 L184M122-I126 HydrophobicContact CG-CD1 4Å; M122-I126 WeakPolarHBondContact O-CD1 3.49Å; M122-I126 VanDerWaalsContact O-CG1 3.28Å; M122-I126 WeakPolarHBondContact O-CG1 3.36Å; M122-I126 PolarHBondContact O-N 3.02Å; M122-I126 VanDerWaalsContact O-N 3.08Å; M122-I126 HydrophobicContact SD-CD1 4.18Å; M122-I126 HydrophobicContact SD-CG1 4.5Å; T123-I126 PolarHBondContact O-N 3.46Å; L124-I126 PolarHBondContact O-N 3.1Å; I126-L129 PolarHBondContact O-N 3.11Å; I126-S130 PolarHBondContact O-N 2.96Å; I126-L152 HydrophobicContact CD1-CB 4.31Å; I126-L152 HydrophobicContact CD1-CD2 4.16Å; I126-L152 HydrophobicContact CD1-CG 4.02Å; I126-L152 HydrophobicContact CG2-CD2 3.97Å; I126-A153 HydrophobicContact CD1-CB 3.93Å; I126-I156 HydrophobicContact CD1-CD1 3.87Å; I126-L184 HydrophobicContact CG2-CB 4.19Å; I126-L184 HydrophobicContact CG2-CD1 4.07Å; I126-L184 HydrophobicContact CG2-CD2 4Å; I126-L184 HydrophobicContact CG2-CG 4.32Å
127S95.2Very high91.6Very high0 Ų042.8 Ų42.80%020%0.199CC..Hα-helixtrans-65.4-41.5178.3-176.70000111.5Y24 T123 L124 Y125 S130Y24-S127 VanDerWaalsContact OH-CB 3.23Å; Y24-S127 WeakPolarHBondContact OH-CB 3.23Å; Y24-S127 PolarHBondContact OH-OG 3.49Å; T123-S127 WeakPolarHBondContact O-CB 3.38Å; T123-S127 PolarHBondContact O-N 3.09Å; L124-S127 PolarHBondContact O-N 3.26Å; Y125-S127 VanDerWaalsContact C-N 3.31Å; Y125-S127 PolarHBondContact O-N 3.49Å; S127-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact O-N 3.21Å; S127-S130 VanDerWaalsContact O-N 3.16Å; S127-S130 PolarHBondContact O-OG 3.33Å
128E93.1Very high91.5Very high0 Ų041.7 Ų41.70%020%0.197CC..Hα-helixtrans-66-38.8177.5-78.7-175.2-137.400112.1T20 Y24 L124 Y125 S130 L131 M199 K202 Y203T20-E128 VanDerWaalsContact CG2-OE1 3.31Å; T20-E128 WeakPolarHBondContact CG2-OE1 3.27Å; Y24-E128 HydrophobicContact CE2-CG 3.78Å; Y24-E128 WeakPolarHBondContact OH-CG 3.2Å; Y24-E128 PolarHBondContact OH-N 2.87Å; L124-E128 WeakPolarHBondContact O-CB 3.38Å; L124-E128 WeakPolarHBondContact O-CG 3.17Å; L124-E128 PolarHBondContact O-N 3.25Å; Y125-E128 PolarHBondContact O-N 2.97Å; E128-S130 PolarHBondContact O-N 3.46Å; E128-S130 VanDerWaalsContact O-N 3.13Å; E128-L131 HydrophobicContact CG-CD1 4.47Å; E128-L131 VanDerWaalsContact O-CB 3.23Å; E128-L131 WeakPolarHBondContact O-CB 3.37Å; E128-L131 PolarHBondContact O-N 3.38Å; E128-M199 HydrophobicContact CB-CE 4.29Å; E128-M199 HydrophobicContact CB-SD 4.16Å; E128-M199 WeakPolarHBondContact O-CE 3.24Å; E128-K202 VanDerWaalsContact CD-NZ 3.27Å; E128-K202 IonicContact OE1-NZ 2.56Å; E128-K202 PolarHBondContact OE1-NZ 2.87Å; E128-K202 IonicContact OE2-NZ 3.52Å; E128-K202 PolarHBondContact OE2-NZ 3.49Å; E128-Y203 PolarHBondContact OE1-OH 3.13Å
129L91.3Very high91.3Very high7 Ų740.7 Ų40.74%0.03720%0.195CC..Hα-helixtrans-55.2-34.3173.5-72.2176.9000112.2Y125 I126 L131 M132 T187 A191 M199Y125-L129 HydrophobicContact CD1-CD1 4.33Å; Y125-L129 HydrophobicContact CE1-CD1 3.77Å; Y125-L129 HydrophobicContact CE2-CD1 4.21Å; Y125-L129 HydrophobicContact CE2-CD2 4.17Å; Y125-L129 HydrophobicContact CE2-CG 4.13Å; Y125-L129 WeakPolarHBondContact O-CG 3.36Å; Y125-L129 PolarHBondContact O-N 2.54Å; I126-L129 PolarHBondContact O-N 3.11Å; L129-L131 PolarHBondContact O-N 3.16Å; L129-M132 WeakPolarHBondContact O-CB 3.41Å; L129-M132 PolarHBondContact O-N 2.99Å; L129-T187 HydrophobicContact CB-CG2 4.08Å; L129-A191 HydrophobicContact CD1-CB 4Å; L129-A191 HydrophobicContact CD2-CB 3.91Å; L129-M199 HydrophobicContact CD2-SD 4.28Å
130S91.9Very high91.3Very high9 Ų942.6 Ų42.66%0.06320%0.202CC..Hα-helixtrans-65.8-25177.8830000113.2I126 S127 E128 M132 E133 Y137 M145I126-S130 PolarHBondContact O-N 2.96Å; S127-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact O-N 3.21Å; S127-S130 VanDerWaalsContact O-N 3.16Å; S127-S130 PolarHBondContact O-OG 3.33Å; E128-S130 PolarHBondContact O-N 3.46Å; E128-S130 VanDerWaalsContact O-N 3.13Å; S130-M132 PolarHBondContact O-N 3.1Å; S130-E133 PolarHBondContact O-N 2.85Å; S130-Y137 WeakPolarHBondContact O-CD2 3.47Å; S130-M145 VanDerWaalsContact CB-CE 3.46Å; S130-M145 WeakPolarHBondContact OG-CE 3.43Å
131L91.4Very high91.3Very high21 Ų2145 Ų4511%0.1122%0.217CC..Hα-helixtrans-63.1-27.2176.8-61.3177000111.6R2 I6 Y24 V27 E128 L129 M199R2-L131 PolarHBondContact NH1-O 3.31Å; R2-L131 PolarHBondContact NH2-O 2.98Å; I6-L131 WeakPolarHBondContact CD1-O 3.4Å; I6-L131 HydrophobicContact CG2-CB 4.26Å; Y24-L131 HydrophobicContact CD1-CD1 4.17Å; Y24-L131 HydrophobicContact CD1-CD2 3.91Å; Y24-L131 HydrophobicContact CD2-CD1 4.28Å; Y24-L131 HydrophobicContact CE1-CD1 3.98Å; Y24-L131 HydrophobicContact CE1-CD2 3.83Å; Y24-L131 HydrophobicContact CE1-CG 4.12Å; Y24-L131 HydrophobicContact CE2-CD1 4.1Å; Y24-L131 HydrophobicContact CG-CD1 4.33Å; V27-L131 HydrophobicContact CG1-CD2 4.24Å; E128-L131 HydrophobicContact CG-CD1 4.47Å; E128-L131 VanDerWaalsContact O-CB 3.23Å; E128-L131 WeakPolarHBondContact O-CB 3.37Å; E128-L131 PolarHBondContact O-N 3.38Å; L129-L131 PolarHBondContact O-N 3.16Å; L131-M199 HydrophobicContact CB-CE 4.38Å
132M86.6Confident91.4Very high20 Ų2042.4 Ų42.410%0.09921%0.212CC..Hα-helixtrans-71.1-33.4-177.8-65-66.2-81.600113.2S3 I6 D7 L129 S130 T196 M199S3-M132 WeakPolarHBondContact O-CE 3.43Å; I6-M132 HydrophobicContact CB-SD 3.91Å; I6-M132 HydrophobicContact CG2-SD 3.63Å; D7-M132 HydrophobicContact CB-CE 3.67Å; D7-M132 HydrophobicContact CB-SD 4.36Å; L129-M132 WeakPolarHBondContact O-CB 3.41Å; L129-M132 PolarHBondContact O-N 2.99Å; S130-M132 PolarHBondContact O-N 3.1Å; M132-T196 HydrophobicContact CE-CG2 3.85Å; M132-M199 HydrophobicContact CG-CE 3.68Å; M132-M199 HydrophobicContact CG-SD 3.77Å; M132-M199 HydrophobicContact SD-CE 3.86Å; M132-M199 HydrophobicContact SD-SD 4.41Å
133E86.4Confident91.5Very high62 Ų6241.1 Ų41.129%0.2921%0.207SC..  trans-105.771.4-173.9-68.2-176.7-148.500112.5S130 E135 T136 Y137 T187S130-E133 PolarHBondContact O-N 2.85Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 2.93Å; E133-T136 PolarHBondContact O-N 3.11Å; E133-T136 PolarHBondContact OE2-OG1 3.06Å; E133-Y137 HydrophobicContact CB-CD2 3.74Å; E133-Y137 HydrophobicContact CB-CE2 3.69Å; E133-Y137 HydrophobicContact CG-CE2 4.44Å; E133-Y137 WeakPolarHBondContact O-CD2 3.47Å; E133-Y137 PolarHBondContact O-N 2.94Å; E133-T187 VanDerWaalsContact CD-OG1 3.26Å; E133-T187 VanDerWaalsContact OE1-CG2 3.3Å; E133-T187 WeakPolarHBondContact OE1-CG2 3.46Å; E133-T187 PolarHBondContact OE1-OG1 3.05Å; E133-T187 PolarHBondContact OE2-OG1 2.97Å
134G81.1Confident91.5Very high8 Ų842.3 Ų42.38%0.08221%0.214CC..Hα-helixtrans-56.4-38.8-17600000114.7R2 T136 Y137 L138R2-G134 VanDerWaalsContact NH1-CA 3.33Å; R2-G134 VanDerWaalsContact NH1-N 3.13Å; G134-T136 PolarHBondContact O-N 3.01Å; G134-Y137 PolarHBondContact O-N 3.13Å; G134-L138 WeakPolarHBondContact O-CB 3.45Å; G134-L138 WeakPolarHBondContact O-CD1 3.32Å; G134-L138 WeakPolarHBondContact O-CG 3.5Å; G134-L138 PolarHBondContact O-N 3.16Å
135E82.8Confident91.6Very high199 Ų19942.3 Ų42.393%0.9321%0.214SC*.Hα-helixtrans-59.4-35.2-179.1-68178.6-170.400112.8E133E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 2.93Å
136T87.8Confident91.7Very high37 Ų3740.9 Ų40.923%0.22721%0.208CC..Hα-helixtrans-82.3-42.7-178.8-52.30000111.5E133 G134 Q139 Y140 H183E133-T136 PolarHBondContact O-N 3.11Å; E133-T136 PolarHBondContact OE2-OG1 3.06Å; G134-T136 PolarHBondContact O-N 3.01Å; T136-Q139 PolarHBondContact O-NE2 2.8Å; T136-Y140 VanDerWaalsContact O-CE2 3.29Å; T136-Y140 WeakPolarHBondContact O-CE2 3.22Å; T136-H183 HydrophobicContact CG2-CB 3.96Å
137Y92.3Very high91.9Very high11 Ų1140.8 Ų40.84%0.04321%0.208CC..Hα-helixtrans-103-19.7-162.8-61.1-68.1000115.4S130 E133 G134 Q139 Y140 M145 H183 L184 T187S130-Y137 WeakPolarHBondContact O-CD2 3.47Å; E133-Y137 HydrophobicContact CB-CD2 3.74Å; E133-Y137 HydrophobicContact CB-CE2 3.69Å; E133-Y137 HydrophobicContact CG-CE2 4.44Å; E133-Y137 WeakPolarHBondContact O-CD2 3.47Å; E133-Y137 PolarHBondContact O-N 2.94Å; G134-Y137 PolarHBondContact O-N 3.13Å; Y137-Q139 PolarHBondContact O-N 3.43Å; Y137-Q139 VanDerWaalsContact O-N 3.09Å; Y137-Y140 HydrophobicContact CD1-CD2 4.12Å; Y137-Y140 HydrophobicContact CD1-CE2 4.29Å; Y137-Y140 PolarHBondContact O-N 2.98Å; 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 3.88Å; Y137-H183 PolarHBondContact OH-O 3.27Å; Y137-H183 VanDerWaalsContact OH-O 3.13Å; Y137-L184 HydrophobicContact CE1-CD2 3.76Å; Y137-L184 HydrophobicContact CE1-CG 4.06Å; Y137-L184 WeakPolarHBondContact OH-CA 3.08Å; Y137-L184 PolarHBondContact OH-N 3.36Å; Y137-T187 WeakPolarHBondContact OH-CB 3.39Å; Y137-T187 PolarHBondContact OH-OG1 2.9Å
138L89.5Confident92Very high103 Ų10340.8 Ų40.854%0.53921%0.208SC..THydrogen-bonded Turntrans-63.3-18.2-178.7-75.9171.9000114.4D31 G134 Y140D31-L138 HydrophobicContact CB-CD2 3.99Å; D31-L138 WeakPolarHBondContact OD2-CD2 3.44Å; G134-L138 WeakPolarHBondContact O-CB 3.45Å; G134-L138 WeakPolarHBondContact O-CD1 3.32Å; G134-L138 WeakPolarHBondContact O-CG 3.5Å; G134-L138 PolarHBondContact O-N 3.16Å; L138-Y140 VanDerWaalsContact C-N 3.32Å
139Q91.1Very high92.2Very high134 Ų13440.8 Ų40.863%0.62621%0.208SC*.THydrogen-bonded Turntrans-77.1-16.2176.167.1-174.5-40.500113.7T136 Y137T136-Q139 PolarHBondContact O-NE2 2.8Å; Y137-Q139 PolarHBondContact O-N 3.43Å; Y137-Q139 VanDerWaalsContact O-N 3.09Å
140Y94.1Very high92.5Very high42 Ų4240.5 Ų40.517%0.16521%0.206CC..SBendtrans-96.9145.1-174.3-59.5-55.9000111.8T136 Y137 L138 L144 M145 V180 H183T136-Y140 VanDerWaalsContact O-CE2 3.29Å; T136-Y140 WeakPolarHBondContact O-CE2 3.22Å; Y137-Y140 HydrophobicContact CD1-CD2 4.12Å; Y137-Y140 HydrophobicContact CD1-CE2 4.29Å; Y137-Y140 PolarHBondContact O-N 2.98Å; L138-Y140 VanDerWaalsContact C-N 3.32Å; Y140-L144 HydrophobicContact CD1-CD2 3.82Å; Y140-L144 HydrophobicContact CG-CD2 4.38Å; Y140-M145 HydrophobicContact CD2-SD 3.69Å; Y140-M145 HydrophobicContact CG-SD 4.01Å; Y140-V180 HydrophobicContact CD1-CG2 3.68Å; Y140-V180 HydrophobicContact CD2-CG1 4.35Å; Y140-V180 HydrophobicContact CD2-CG2 3.97Å; Y140-V180 HydrophobicContact CE1-CG2 3.64Å; Y140-V180 HydrophobicContact CE2-CG2 3.94Å; Y140-V180 HydrophobicContact CG-CG2 3.86Å; Y140-H183 AromaticContact CE2-ND1 3.98Å; Y140-H183 PolarHBondContact OH-CE1 3.12Å; Y140-H183 VanDerWaalsContact OH-CE1 3.28Å; Y140-H183 PolarHBondContact OH-ND1 3.33Å
141L95.1Very high92.7Very high110 Ų11040 Ų4058%0.57620%0.203SC*.  trans-69.1146.7174.5-66.5174.6000110.9S143 L144 M145L141-S143 PolarHBondContact O-N 3.19Å; L141-L144 HydrophobicContact CB-CB 4.39Å; L141-L144 WeakPolarHBondContact O-CB 3.29Å; L141-L144 PolarHBondContact O-N 3.33Å; L141-M145 PolarHBondContact O-N 3.35Å
142P95.9Very high93Very high40 Ų4039.3 Ų39.326%0.2620%0.199SC..Hα-helixtrans-54.9-35.7176.7-2734.6000113.9P100 F105 M145 S146P100-P142 WeakPolarHBondContact O-CG 3.21Å; F105-P142 HydrophobicContact CD2-CB 4.16Å; F105-P142 HydrophobicContact CE2-CB 4.13Å; P142-M145 PolarHBondContact O-N 3.41Å; P142-S146 WeakPolarHBondContact O-CB 3.15Å; P142-S146 PolarHBondContact O-N 3.16Å; P142-S146 PolarHBondContact O-OG 3.32Å
143S96.8Very high93.5Very high19 Ų1938.4 Ų38.413%0.13319%0.194CC..Hα-helixtrans-67.2-34.1175.855.70000113.7L141 S146 S147 Y172L141-S143 PolarHBondContact O-N 3.19Å; S143-S146 WeakPolarHBondContact CA-OG 3.28Å; S143-S146 PolarHBondContact O-OG 2.98Å; S143-S147 VanDerWaalsContact O-CB 3.31Å; S143-S147 WeakPolarHBondContact O-CB 3.5Å; S143-S147 PolarHBondContact O-N 3.39Å; S143-S147 PolarHBondContact O-OG 3.47Å; S143-Y172 PolarHBondContact OG-OH 2.9Å
144L96.7Very high94Very high25 Ų2537.1 Ų37.113%0.13119%0.187CC..Hα-helixtrans-75.2-41.2177-172.771000109.9Y140 L141 S147 A148 Y172 L177 V180Y140-L144 HydrophobicContact CD1-CD2 3.82Å; Y140-L144 HydrophobicContact CG-CD2 4.38Å; L141-L144 HydrophobicContact CB-CB 4.39Å; L141-L144 WeakPolarHBondContact O-CB 3.29Å; L141-L144 PolarHBondContact O-N 3.33Å; L144-S147 PolarHBondContact O-N 3.38Å; L144-A148 VanDerWaalsContact O-CB 3.31Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 2.89Å; L144-Y172 HydrophobicContact CB-CE2 4.43Å; L144-Y172 HydrophobicContact CD1-CD1 4.02Å; L144-Y172 HydrophobicContact CD1-CD2 4.37Å; L144-Y172 HydrophobicContact CD1-CE1 3.92Å; L144-Y172 HydrophobicContact CD1-CE2 4.26Å; L144-Y172 HydrophobicContact CD1-CG 4.26Å; L144-L177 HydrophobicContact CD1-CD2 3.58Å; L144-V180 HydrophobicContact CD2-CG2 3.77Å; L144-V180 HydrophobicContact CG-CG2 4.07Å
145M96.7Very high94.7Very high10 Ų1042.2 Ų42.25%0.04921%0.209CC..Hα-helixtrans-61.7-46176.1-72.7-55.4-57.600112.3A102 S130 Y137 Y140 L141 P142 S149 V180 L184A102-M145 HydrophobicContact CB-CB 4.37Å; S130-M145 VanDerWaalsContact CB-CE 3.46Å; S130-M145 WeakPolarHBondContact OG-CE 3.43Å; 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 3.69Å; Y140-M145 HydrophobicContact CG-SD 4.01Å; L141-M145 PolarHBondContact O-N 3.35Å; P142-M145 PolarHBondContact O-N 3.41Å; M145-S149 VanDerWaalsContact O-CB 3.31Å; M145-S149 WeakPolarHBondContact O-CB 3.25Å; M145-S149 PolarHBondContact O-N 3.47Å; M145-S149 PolarHBondContact O-OG 3.46Å; M145-V180 HydrophobicContact CE-CG1 4.18Å; M145-V180 HydrophobicContact SD-CG1 3.5Å; M145-V180 VanDerWaalsContact SD-CG1 3.5Å; M145-L184 HydrophobicContact CE-CD2 4.02Å
146S96.6Very high95.3Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-61.7-46.8175.757.90000111.7F105 Y109 P142 S143 S149 V150F105-S146 VanDerWaalsContact CB-OG 3.24Å; F105-S146 WeakPolarHBondContact CB-OG 3.24Å; Y109-S146 VanDerWaalsContact CE2-OG 3.29Å; Y109-S146 WeakPolarHBondContact CE2-OG 3.36Å; Y109-S146 PolarHBondContact OH-OG 3.19Å; P142-S146 WeakPolarHBondContact O-CB 3.15Å; P142-S146 PolarHBondContact O-N 3.16Å; P142-S146 PolarHBondContact O-OG 3.32Å; S143-S146 WeakPolarHBondContact CA-OG 3.28Å; S143-S146 PolarHBondContact O-OG 2.98Å; S146-S149 PolarHBondContact O-N 2.73Å; S146-V150 WeakPolarHBondContact O-CG2 3.35Å; S146-V150 PolarHBondContact O-N 3.19Å
147S97.3Very high95.6Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-62.4-45.7-179.8-63.90000112.1Y109 S143 L144 S149 V150 A151 W162Y109-S147 PolarHBondContact OH-OG 3.17Å; S143-S147 VanDerWaalsContact O-CB 3.31Å; S143-S147 WeakPolarHBondContact O-CB 3.5Å; S143-S147 PolarHBondContact O-N 3.39Å; S143-S147 PolarHBondContact O-OG 3.47Å; L144-S147 PolarHBondContact O-N 3.38Å; S147-S149 VanDerWaalsContact C-N 3.34Å; S147-S149 PolarHBondContact O-N 3.27Å; S147-V150 PolarHBondContact O-N 3.11Å; S147-A151 PolarHBondContact O-N 2.98Å; S147-W162 WeakPolarHBondContact O-CZ3 3.39Å
148A97.4Very high95.7Very high0 Ų039.4 Ų39.40%022%0.215CC..Hα-helixtrans-64.7-38.3175.900000112.2L144 A151 L152 V180 V181 L184L144-A148 VanDerWaalsContact O-CB 3.31Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 2.89Å; A148-A151 PolarHBondContact O-N 2.87Å; A148-L152 PolarHBondContact O-N 3.28Å; A148-V180 HydrophobicContact CB-CB 3.69Å; A148-V180 HydrophobicContact CB-CG1 3.45Å; A148-V180 VanDerWaalsContact CB-CG1 3.45Å; A148-V181 HydrophobicContact CB-CG2 3.83Å; A148-L184 HydrophobicContact CB-CD1 3.86Å
149S97.2Very high96Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-63.9-42.7175.8-59.70000111.5M145 S146 S147 L152 A153M145-S149 VanDerWaalsContact O-CB 3.31Å; M145-S149 WeakPolarHBondContact O-CB 3.25Å; M145-S149 PolarHBondContact O-N 3.47Å; M145-S149 PolarHBondContact O-OG 3.46Å; S146-S149 PolarHBondContact O-N 2.73Å; S147-S149 VanDerWaalsContact C-N 3.34Å; S147-S149 PolarHBondContact O-N 3.27Å; S149-L152 PolarHBondContact O-N 3Å; S149-A153 VanDerWaalsContact O-CB 3.26Å; S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 3.16Å
150V97.3Very high96.1Very high0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-61.8-47.1174.5170.30000110.2Y109 M115 T123 S146 S147 L152 A153 R154 L166Y109-V150 HydrophobicContact CD2-CG2 4.15Å; M115-V150 HydrophobicContact CE-CG2 4.29Å; M115-V150 HydrophobicContact SD-CG1 4.15Å; M115-V150 HydrophobicContact SD-CG2 4.23Å; T123-V150 HydrophobicContact CG2-CB 4.3Å; T123-V150 HydrophobicContact CG2-CG2 3.47Å; T123-V150 VanDerWaalsContact CG2-CG2 3.47Å; S146-V150 WeakPolarHBondContact O-CG2 3.35Å; S146-V150 PolarHBondContact O-N 3.19Å; S147-V150 PolarHBondContact O-N 3.11Å; V150-L152 PolarHBondContact O-N 3.24Å; V150-A153 PolarHBondContact O-N 3.02Å; V150-R154 HydrophobicContact CG1-CG 4.22Å; V150-R154 WeakPolarHBondContact O-CB 3.43Å; V150-R154 VanDerWaalsContact O-CG 3.23Å; V150-R154 WeakPolarHBondContact O-CG 3.32Å; V150-R154 PolarHBondContact O-N 2.69Å; V150-L166 HydrophobicContact CG1-CD1 4.08Å; V150-L166 HydrophobicContact CG1-CD2 4.43Å
151A97.3Very high96.1Very high0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-58.4-47.6-179.600000111.7S147 A148 R154 H155 M161 W162 L177 V181S147-A151 PolarHBondContact O-N 2.98Å; A148-A151 PolarHBondContact O-N 2.87Å; A151-R154 PolarHBondContact O-N 2.81Å; A151-H155 PolarHBondContact O-N 3.07Å; A151-H155 VanDerWaalsContact O-N 3.09Å; A151-M161 WeakPolarHBondContact CA-O 3.49Å; A151-M161 HydrophobicContact CB-CG 3.98Å; A151-M161 WeakPolarHBondContact O-CG 3.35Å; A151-W162 HydrophobicContact CB-CE3 3.76Å; A151-W162 HydrophobicContact CB-CZ3 4.09Å; A151-L177 HydrophobicContact CB-CD1 4.13Å; A151-V181 HydrophobicContact CB-CG2 4.17Å
152L97Very high96.1Very high6 Ų634 Ų343%0.03119%0.186CC..Hα-helixtrans-65.2-43.3177.9-177.459.7000112I126 A148 S149 V150 R154 H155 I156 V181 L184 C185I126-L152 HydrophobicContact CD1-CB 4.31Å; I126-L152 HydrophobicContact CD1-CD2 4.16Å; I126-L152 HydrophobicContact CD1-CG 4.02Å; I126-L152 HydrophobicContact CG2-CD2 3.97Å; A148-L152 PolarHBondContact O-N 3.28Å; S149-L152 PolarHBondContact O-N 3Å; V150-L152 PolarHBondContact O-N 3.24Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 2.89Å; L152-H155 PolarHBondContact O-N 3.47Å; 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 3.36Å; L152-I156 PolarHBondContact O-N 3.28Å; L152-V181 HydrophobicContact CB-CG1 4.43Å; L152-V181 HydrophobicContact CD1-CG1 4.4Å; L152-L184 HydrophobicContact CD2-CB 3.57Å; L152-C185 HydrophobicContact CD1-CB 4.21Å; L152-C185 HydrophobicContact CD2-CB 4.4Å
153A96.9Very high96Very high0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans-59.8-43.9177.800000112L119 M122 T123 I126 S149 V150 H155 I156 L157L119-A153 HydrophobicContact CD1-CB 3.65Å; M122-A153 HydrophobicContact CB-CB 4.07Å; M122-A153 HydrophobicContact CG-CB 3.68Å; T123-A153 VanDerWaalsContact OG1-CB 3.31Å; T123-A153 WeakPolarHBondContact OG1-CB 3.41Å; I126-A153 HydrophobicContact CD1-CB 3.93Å; S149-A153 VanDerWaalsContact O-CB 3.26Å; S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 3.16Å; V150-A153 PolarHBondContact O-N 3.02Å; A153-H155 PolarHBondContact O-N 3.41Å; A153-I156 PolarHBondContact O-N 3.37Å; A153-L157 WeakPolarHBondContact O-CG 3.42Å; A153-L157 PolarHBondContact O-N 3.02Å
154R96.6Very high95.9Very high35 Ų3537.2 Ų37.213%0.13221%0.206CC..Hα-helixtrans-59.7-46.4175.5-71.4177.26979.77.2111.3L119 V150 A151 L152 L157 G158 M159 E160 T163L119-R154 HydrophobicContact CD1-CB 4.38Å; L119-R154 HydrophobicContact CD1-CG 3.57Å; L119-R154 HydrophobicContact CD2-CG 3.78Å; L119-R154 HydrophobicContact CG-CG 4.34Å; V150-R154 HydrophobicContact CG1-CG 4.22Å; V150-R154 WeakPolarHBondContact O-CB 3.43Å; V150-R154 VanDerWaalsContact O-CG 3.23Å; V150-R154 WeakPolarHBondContact O-CG 3.32Å; V150-R154 PolarHBondContact O-N 2.69Å; A151-R154 PolarHBondContact O-N 2.81Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 2.89Å; R154-L157 PolarHBondContact O-N 2.93Å; R154-G158 PolarHBondContact O-N 3.45Å; R154-M159 HydrophobicContact CB-CB 4.16Å; R154-M159 WeakPolarHBondContact O-CA 3.3Å; R154-M159 WeakPolarHBondContact O-CB 3.45Å; R154-M159 PolarHBondContact O-N 2.92Å; R154-E160 PolarHBondContact NE-O 3.31Å; R154-E160 PolarHBondContact NH2-O 3.11Å; R154-E160 VanDerWaalsContact NH2-O 3.14Å; R154-T163 VanDerWaalsContact NH2-CG2 3.31Å
155H96.1Very high95.8Very high116 Ų11641.8 Ų41.854%0.53722%0.222SC..Hα-helixtrans-61.6-44.5177.7-177.564.6000112.4A151 L152 A153 L157 G158 M161A151-H155 PolarHBondContact O-N 3.07Å; A151-H155 VanDerWaalsContact O-N 3.09Å; L152-H155 PolarHBondContact O-N 3.47Å; A153-H155 PolarHBondContact O-N 3.41Å; H155-L157 VanDerWaalsContact C-N 3.25Å; H155-L157 PolarHBondContact O-N 2.96Å; H155-G158 PolarHBondContact O-N 2.85Å; H155-G158 VanDerWaalsContact O-N 3.08Å; H155-M161 HydrophobicContact CB-CB 4.35Å; H155-M161 HydrophobicContact CB-CG 4.33Å; H155-M161 HydrophobicContact CB-SD 4.31Å
156I95Very high95.6Very high66 Ų6641.5 Ų41.534%0.33822%0.22SC..Hα-helixtrans-61.2-35.3177.6-71.8168.3000111.6M122 I126 L152 A153 G158M122-I156 HydrophobicContact CE-CG2 4.04Å; M122-I156 HydrophobicContact SD-CG2 4.32Å; 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 3.36Å; L152-I156 PolarHBondContact O-N 3.28Å; A153-I156 PolarHBondContact O-N 3.37Å; I156-G158 PolarHBondContact O-N 2.6Å
157L95.2Very high95.6Very high50 Ų5045.2 Ų45.226%0.26224%0.238SC..THydrogen-bonded Turntrans-83.66.8178.5-65.6175.6000113.8K118 L119 M122 A153 R154 H155 M159K118-L157 HydrophobicContact CD-CD2 4.21Å; K118-L157 HydrophobicContact CG-CD1 4.41Å; K118-L157 HydrophobicContact CG-CD2 4.25Å; L119-L157 HydrophobicContact CB-CD1 4Å; L119-L157 HydrophobicContact CD1-CD1 3.98Å; M122-L157 HydrophobicContact CB-CD1 4.32Å; M122-L157 HydrophobicContact CE-CD2 4.46Å; A153-L157 WeakPolarHBondContact O-CG 3.42Å; A153-L157 PolarHBondContact O-N 3.02Å; R154-L157 PolarHBondContact O-N 2.93Å; H155-L157 VanDerWaalsContact C-N 3.25Å; H155-L157 PolarHBondContact O-N 2.96Å; L157-M159 VanDerWaalsContact C-N 3.27Å; L157-M159 HydrophobicContact CB-CG 4.26Å; L157-M159 HydrophobicContact CB-SD 4.5Å; L157-M159 PolarHBondContact O-N 3.44Å
158G94.4Very high95.5Very high71 Ų7151.4 Ų51.473%0.73227%0.267SS*.THydrogen-bonded Turntrans73.617179.500000114.2R154 H155 I156R154-G158 PolarHBondContact O-N 3.45Å; H155-G158 PolarHBondContact O-N 2.85Å; H155-G158 VanDerWaalsContact O-N 3.08Å; I156-G158 PolarHBondContact O-N 2.6Å
159M95Very high95.3Very high73 Ų7353.6 Ų53.636%0.3628%0.278SS..SBendtrans-90.9164.9175.3-50.617997.500110.6L119 R154 L157 M161L119-M159 HydrophobicContact CD2-SD 4.26Å; R154-M159 HydrophobicContact CB-CB 4.16Å; R154-M159 WeakPolarHBondContact O-CA 3.3Å; R154-M159 WeakPolarHBondContact O-CB 3.45Å; R154-M159 PolarHBondContact O-N 2.92Å; L157-M159 VanDerWaalsContact C-N 3.27Å; L157-M159 HydrophobicContact CB-CG 4.26Å; L157-M159 HydrophobicContact CB-SD 4.5Å; L157-M159 PolarHBondContact O-N 3.44Å; M159-M161 PolarHBondContact O-N 3.43Å
160E94.1Very high95.2Very high128 Ų12854.1 Ų54.160%0.59828%0.281SS*.  trans-59.4125.3168.8-176.8179.2-160.800110.2R154 W162R154-E160 PolarHBondContact NE-O 3.31Å; R154-E160 PolarHBondContact NH2-O 3.11Å; R154-E160 VanDerWaalsContact NH2-O 3.14Å; E160-W162 PolarHBondContact O-N 2.93Å
161M93.1Very high95.1Very high57 Ų5759.6 Ų59.628%0.28132%0.315SS..SBendtrans-60.7-42.6-170.9179.7162.663.700112.9A151 H155 M159 L174A151-M161 WeakPolarHBondContact CA-O 3.49Å; A151-M161 HydrophobicContact CB-CG 3.98Å; A151-M161 WeakPolarHBondContact O-CG 3.35Å; H155-M161 HydrophobicContact CB-CB 4.35Å; H155-M161 HydrophobicContact CB-CG 4.33Å; H155-M161 HydrophobicContact CB-SD 4.31Å; M159-M161 PolarHBondContact O-N 3.43Å; M161-L174 HydrophobicContact CE-CD1 3.64Å; M161-L174 HydrophobicContact CE-CD2 3.58Å; M161-L174 HydrophobicContact CE-CG 4.08Å; M161-L174 HydrophobicContact CG-CD1 4.21Å; M161-L174 HydrophobicContact SD-CD1 4.29Å
162W95.6Very high95.1Very high17 Ų1761.8 Ų61.86%0.06432%0.323CS..SBendtrans-141.7129.1-178.3-157.8-117.1000110S147 A151 E160 L166 T170 Y172 L174 L177S147-W162 WeakPolarHBondContact O-CZ3 3.39Å; A151-W162 HydrophobicContact CB-CE3 3.76Å; A151-W162 HydrophobicContact CB-CZ3 4.09Å; E160-W162 PolarHBondContact O-N 2.93Å; W162-L166 HydrophobicContact CD2-CB 4.18Å; W162-L166 HydrophobicContact CE3-CB 4.21Å; W162-L166 HydrophobicContact CE3-CD1 3.96Å; W162-L166 HydrophobicContact CH2-CB 3.89Å; W162-L166 HydrophobicContact CZ2-CB 3.88Å; W162-L166 HydrophobicContact CZ3-CB 4.07Å; W162-L166 HydrophobicContact CZ3-CD1 3.97Å; W162-L166 HydrophobicContact CZ3-CG 4.47Å; W162-T170 HydrophobicContact CH2-CG2 4.25Å; W162-T170 HydrophobicContact CZ2-CG2 4.47Å; W162-T170 WeakPolarHBondContact CZ2-OG1 3.49Å; W162-Y172 PolarHBondContact NE1-O 3.29Å; W162-L174 HydrophobicContact CB-CB 4.32Å; W162-L174 HydrophobicContact CB-CD1 3.98Å; W162-L174 HydrophobicContact CB-CD2 4.48Å; W162-L174 HydrophobicContact CB-CG 4.5Å; W162-L174 HydrophobicContact CG-CB 4.39Å; W162-L174 HydrophobicContact CG-CD1 4.42Å; W162-L177 HydrophobicContact CD2-CD1 3.79Å; W162-L177 HydrophobicContact CE3-CD1 3.68Å; W162-L177 HydrophobicContact CH2-CD1 3.63Å; W162-L177 HydrophobicContact CZ2-CD1 3.7Å; W162-L177 HydrophobicContact CZ3-CD1 3.6Å
163T94.3Very high95Very high25 Ų2566.9 Ų66.915%0.15335%0.345CS..  trans-109.3154.7-175.865.80000110.6R154 R165 L166 E167R154-T163 VanDerWaalsContact NH2-CG2 3.31Å; T163-R165 PolarHBondContact O-N 3.37Å; T163-R165 VanDerWaalsContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 3.3Å; T163-L166 WeakPolarHBondContact OG1-CG 3.48Å; T163-L166 PolarHBondContact OG1-N 2.8Å; T163-E167 PolarHBondContact O-N 3.07Å; T163-E167 VanDerWaalsContact O-N 3.08Å
164P94Very high94.8Very high102 Ų10270.1 Ų70.166%0.66236%0.362SS*.Hα-helixtrans-56.1-32175.8-26.835000113.2E167 E168P164-E167 PolarHBondContact O-N 3.4Å; P164-E168 WeakPolarHBondContact O-CB 3.47Å; P164-E168 PolarHBondContact O-N 3.11Å
165R93.7Very high94.8Very high122 Ų12276.1 Ų76.146%0.4639%0.392SS..Hα-helixtrans-67.2-39.7177-177.556.7173.6176.12.8112.7T163 E168 I169T163-R165 PolarHBondContact O-N 3.37Å; T163-R165 VanDerWaalsContact O-N 3.13Å; R165-E168 WeakPolarHBondContact CD-OE2 3.43Å; R165-E168 IonicContact CZ-OE2 2.79Å; R165-E168 IonicContact NH1-OE1 2.87Å; R165-E168 IonicContact NH1-OE2 2.87Å; R165-E168 PolarHBondContact NH1-OE2 3.27Å; R165-E168 PolarHBondContact O-N 2.98Å; R165-I169 HydrophobicContact CG-CD1 4.02Å; R165-I169 WeakPolarHBondContact O-CG1 3.06Å; R165-I169 PolarHBondContact O-N 3.32Å; R165-I169 VanDerWaalsContact O-N 3.1Å
166L94.2Very high94.7Very high3 Ų374.5 Ų74.52%0.01639%0.387CS..Hα-helixtrans-68.7-40.3175.5-75.1167.3000110.9V150 W162 T163 E168 I169 T170V150-L166 HydrophobicContact CG1-CD1 4.08Å; V150-L166 HydrophobicContact CG1-CD2 4.43Å; W162-L166 HydrophobicContact CD2-CB 4.18Å; W162-L166 HydrophobicContact CE3-CB 4.21Å; W162-L166 HydrophobicContact CE3-CD1 3.96Å; W162-L166 HydrophobicContact CH2-CB 3.89Å; W162-L166 HydrophobicContact CZ2-CB 3.88Å; W162-L166 HydrophobicContact CZ3-CB 4.07Å; W162-L166 HydrophobicContact CZ3-CD1 3.97Å; W162-L166 HydrophobicContact CZ3-CG 4.47Å; T163-L166 PolarHBondContact O-N 3.3Å; T163-L166 WeakPolarHBondContact OG1-CG 3.48Å; T163-L166 PolarHBondContact OG1-N 2.8Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-E168 PolarHBondContact O-N 2.86Å; L166-I169 PolarHBondContact O-N 3.21Å; L166-T170 WeakPolarHBondContact O-CB 3.49Å; L166-T170 VanDerWaalsContact O-CG2 3.3Å; L166-T170 WeakPolarHBondContact O-CG2 3.34Å; L166-T170 PolarHBondContact O-N 2.8Å; L166-T170 PolarHBondContact O-OG1 3.34Å
167E95.6Very high94.8Very high78 Ų7871.4 Ų71.436%0.36437%0.371SS..Hα-helixtrans-61.8-40.9173.9-175.1167.8157.700111.8T163 P164 T171 Y172T163-E167 PolarHBondContact O-N 3.07Å; T163-E167 VanDerWaalsContact O-N 3.08Å; P164-E167 PolarHBondContact O-N 3.4Å; E167-T171 WeakPolarHBondContact O-CA 3.44Å; E167-T171 PolarHBondContact O-N 3.06Å; E167-Y172 WeakPolarHBondContact CG-O 3.37Å
168E94.9Very high94.8Very high130 Ų13075.6 Ų75.661%0.60739%0.387SS*.Hα-helixtrans-62.1-47175.8-175-170.7-168.500112.5P164 R165 L166P164-E168 WeakPolarHBondContact O-CB 3.47Å; P164-E168 PolarHBondContact O-N 3.11Å; R165-E168 WeakPolarHBondContact CD-OE2 3.43Å; R165-E168 IonicContact CZ-OE2 2.79Å; R165-E168 IonicContact NH1-OE1 2.87Å; R165-E168 IonicContact NH1-OE2 2.87Å; R165-E168 PolarHBondContact NH1-OE2 3.27Å; R165-E168 PolarHBondContact O-N 2.98Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-E168 PolarHBondContact O-N 2.86Å
169I94.5Very high94.8Very high47 Ų4775.9 Ų75.924%0.24138%0.375CS..Hα-helixtrans-74.1-41.9-176.3-68.6163.4000111.8Y109 L112 C113 R165 L166Y109-I169 HydrophobicContact CD1-CG2 4.4Å; L112-I169 HydrophobicContact CB-CD1 3.93Å; L112-I169 HydrophobicContact CD1-CG2 3.75Å; C113-I169 VanDerWaalsContact SG-CD1 3.51Å; R165-I169 HydrophobicContact CG-CD1 4.02Å; R165-I169 WeakPolarHBondContact O-CG1 3.06Å; R165-I169 PolarHBondContact O-N 3.32Å; R165-I169 VanDerWaalsContact O-N 3.1Å; L166-I169 PolarHBondContact O-N 3.21Å
170T94.1Very high94.9Very high11 Ų1172.5 Ų72.57%0.06736%0.358CS..Hα-helixtrans-92.6-16.7-172.766.80000113.3Y109 W162 L166 Y172Y109-T170 HydrophobicContact CD1-CG2 4.35Å; Y109-T170 HydrophobicContact CE1-CG2 3.78Å; Y109-T170 HydrophobicContact CE2-CG2 4.08Å; W162-T170 HydrophobicContact CH2-CG2 4.25Å; W162-T170 HydrophobicContact CZ2-CG2 4.47Å; W162-T170 WeakPolarHBondContact CZ2-OG1 3.49Å; L166-T170 WeakPolarHBondContact O-CB 3.49Å; L166-T170 VanDerWaalsContact O-CG2 3.3Å; L166-T170 WeakPolarHBondContact O-CG2 3.34Å; L166-T170 PolarHBondContact O-N 2.8Å; L166-T170 PolarHBondContact O-OG1 3.34Å; T170-Y172 PolarHBondContact O-N 3.16Å; T170-Y172 VanDerWaalsContact O-N 3.15Å; T170-Y172 PolarHBondContact OG1-N 3.24Å
171T95.4Very high95Very high115 Ų11567.2 Ų67.271%0.70634%0.335SS*.  trans63.72.1-171.971.40000115.4E167E167-T171 WeakPolarHBondContact O-CA 3.44Å; E167-T171 PolarHBondContact O-N 3.06Å
172Y96.8Very high95Very high45 Ų4569.6 Ų69.618%0.17635%0.348CS..  trans-91.3135.2178.2-66.4-57.6000112.1S143 L144 W162 E167 T170 D176 L177S143-Y172 PolarHBondContact OG-OH 2.9Å; L144-Y172 HydrophobicContact CB-CE2 4.43Å; L144-Y172 HydrophobicContact CD1-CD1 4.02Å; L144-Y172 HydrophobicContact CD1-CD2 4.37Å; L144-Y172 HydrophobicContact CD1-CE1 3.92Å; L144-Y172 HydrophobicContact CD1-CE2 4.26Å; L144-Y172 HydrophobicContact CD1-CG 4.26Å; W162-Y172 PolarHBondContact NE1-O 3.29Å; E167-Y172 WeakPolarHBondContact CG-O 3.37Å; T170-Y172 PolarHBondContact O-N 3.16Å; T170-Y172 VanDerWaalsContact O-N 3.15Å; T170-Y172 PolarHBondContact OG1-N 3.24Å; Y172-D176 HydrophobicContact CD1-CB 4.23Å; Y172-L177 HydrophobicContact CD2-CD2 4.45Å; Y172-L177 HydrophobicContact CG-CD2 4.25Å
173K95.7Very high95Very high113 Ų11371.9 Ų71.949%0.49136%0.359SS..  trans-85.3159.3168.8-60.4-174.7177.2178.40110.1E175 D176 L177K173-E175 PolarHBondContact O-N 2.74Å; K173-E175 VanDerWaalsContact O-N 3.15Å; K173-D176 WeakPolarHBondContact CB-OD2 3.46Å; K173-D176 PolarHBondContact N-OD2 2.94Å; K173-D176 WeakPolarHBondContact O-CB 3.4Å; K173-D176 PolarHBondContact O-N 3.46Å; K173-L177 PolarHBondContact O-N 3.25Å
174L93.6Very high95Very high68 Ų6870.8 Ų70.836%0.35635%0.353SS..Hα-helixtrans-58-30.9175.2-174.955.8000113.1M161 W162 D176 L177 K178M161-L174 HydrophobicContact CE-CD1 3.64Å; M161-L174 HydrophobicContact CE-CD2 3.58Å; M161-L174 HydrophobicContact CE-CG 4.08Å; M161-L174 HydrophobicContact CG-CD1 4.21Å; M161-L174 HydrophobicContact SD-CD1 4.29Å; W162-L174 HydrophobicContact CB-CB 4.32Å; W162-L174 HydrophobicContact CB-CD1 3.98Å; W162-L174 HydrophobicContact CB-CD2 4.48Å; W162-L174 HydrophobicContact CB-CG 4.5Å; W162-L174 HydrophobicContact CG-CB 4.39Å; W162-L174 HydrophobicContact CG-CD1 4.42Å; L174-D176 VanDerWaalsContact C-N 3.33Å; L174-L177 PolarHBondContact O-N 3.15Å; L174-K178 PolarHBondContact O-N 3.37Å
175E95.1Very high95Very high161 Ų16167.7 Ų67.775%0.75233%0.333SS*.Hα-helixtrans-63.9-37.2176-64.7-179.8175.300112.3K173 L177 K178K173-E175 PolarHBondContact O-N 2.74Å; K173-E175 VanDerWaalsContact O-N 3.15Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.4Å; E175-K178 WeakPolarHBondContact O-CB 3.45Å; E175-K178 PolarHBondContact O-N 3.44Å
176D95.4Very high94.9Very high83 Ų8367.8 Ų67.844%0.44434%0.338SS..Hα-helixtrans-67.9-33.7178.2-54.3-43.1000111.1Y172 K173 L174Y172-D176 HydrophobicContact CD1-CB 4.23Å; K173-D176 WeakPolarHBondContact CB-OD2 3.46Å; K173-D176 PolarHBondContact N-OD2 2.94Å; K173-D176 WeakPolarHBondContact O-CB 3.4Å; K173-D176 PolarHBondContact O-N 3.46Å; L174-D176 VanDerWaalsContact C-N 3.33Å
177L95.7Very high94.8Very high0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-80.7-19.6-178.7-54.8-176.4000113.3L144 A151 W162 Y172 K173 L174 E175 T179 V180 V181L144-L177 HydrophobicContact CD1-CD2 3.58Å; A151-L177 HydrophobicContact CB-CD1 4.13Å; W162-L177 HydrophobicContact CD2-CD1 3.79Å; W162-L177 HydrophobicContact CE3-CD1 3.68Å; W162-L177 HydrophobicContact CH2-CD1 3.63Å; W162-L177 HydrophobicContact CZ2-CD1 3.7Å; W162-L177 HydrophobicContact CZ3-CD1 3.6Å; Y172-L177 HydrophobicContact CD2-CD2 4.45Å; Y172-L177 HydrophobicContact CG-CD2 4.25Å; K173-L177 PolarHBondContact O-N 3.25Å; L174-L177 PolarHBondContact O-N 3.15Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.4Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.26Å; L177-V180 PolarHBondContact O-N 2.88Å; L177-V180 VanDerWaalsContact O-N 3.11Å; L177-V181 HydrophobicContact CB-CG2 4.04Å; L177-V181 WeakPolarHBondContact O-CG2 3.37Å; L177-V181 PolarHBondContact O-N 2.89Å
178K94.9Very high94.5Very high139 Ų13965.3 Ų65.360%0.60433%0.327SS*.Hα-helixtrans-50.4-49.2-166.8-179.1177.7178.7-179.10113.2L174 E175 V181 L182L174-K178 PolarHBondContact O-N 3.37Å; E175-K178 WeakPolarHBondContact O-CB 3.45Å; E175-K178 PolarHBondContact O-N 3.44Å; K178-V181 PolarHBondContact O-N 3.4Å; K178-L182 HydrophobicContact CG-CD1 4.2Å; K178-L182 VanDerWaalsContact O-CG 3.27Å; K178-L182 WeakPolarHBondContact O-CG 3.49Å; K178-L182 PolarHBondContact O-N 3.38Å
179T95.6Very high94.1Very high77 Ų7765.3 Ų65.347%0.47233%0.325SS..Hα-helixtrans-64-46.8-177.2-53.10000111.4L177 L182 H183L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.26Å; T179-L182 PolarHBondContact O-N 3.47Å; T179-H183 PolarHBondContact O-N 3Å; T179-H183 VanDerWaalsContact O-N 3.11Å
180V96Very high93.7Very high1 Ų164.6 Ų64.61%0.00632%0.323CS..Hα-helixtrans-66.4-42.3-179.2-173.80000110.7Y140 L144 M145 A148 L177 L182 H183 L184Y140-V180 HydrophobicContact CD1-CG2 3.68Å; Y140-V180 HydrophobicContact CD2-CG1 4.35Å; Y140-V180 HydrophobicContact CD2-CG2 3.97Å; Y140-V180 HydrophobicContact CE1-CG2 3.64Å; Y140-V180 HydrophobicContact CE2-CG2 3.94Å; Y140-V180 HydrophobicContact CG-CG2 3.86Å; L144-V180 HydrophobicContact CD2-CG2 3.77Å; L144-V180 HydrophobicContact CG-CG2 4.07Å; M145-V180 HydrophobicContact CE-CG1 4.18Å; M145-V180 HydrophobicContact SD-CG1 3.5Å; M145-V180 VanDerWaalsContact SD-CG1 3.5Å; A148-V180 HydrophobicContact CB-CB 3.69Å; A148-V180 HydrophobicContact CB-CG1 3.45Å; A148-V180 VanDerWaalsContact CB-CG1 3.45Å; L177-V180 PolarHBondContact O-N 2.88Å; L177-V180 VanDerWaalsContact O-N 3.11Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 2.91Å; V180-H183 PolarHBondContact O-N 2.78Å; V180-L184 HydrophobicContact CG1-CD1 3.98Å; V180-L184 HydrophobicContact CG1-CG 4.27Å; V180-L184 WeakPolarHBondContact O-CB 3.34Å; V180-L184 WeakPolarHBondContact O-CG 3.25Å; V180-L184 PolarHBondContact O-N 3.04Å
181V96.1Very high93Very high17 Ų1764.2 Ų64.210%0.10332%0.321CS..Hα-helixtrans-60.6-39.7176.8171.10000111.5A148 A151 L152 L177 K178 L184 C185A148-V181 HydrophobicContact CB-CG2 3.83Å; A151-V181 HydrophobicContact CB-CG2 4.17Å; L152-V181 HydrophobicContact CB-CG1 4.43Å; L152-V181 HydrophobicContact CD1-CG1 4.4Å; L177-V181 HydrophobicContact CB-CG2 4.04Å; L177-V181 WeakPolarHBondContact O-CG2 3.37Å; L177-V181 PolarHBondContact O-N 2.89Å; K178-V181 PolarHBondContact O-N 3.4Å; V181-L184 PolarHBondContact O-N 3.18Å; V181-C185 VanDerWaalsContact O-CB 3.26Å; V181-C185 WeakPolarHBondContact O-CB 3.13Å; V181-C185 PolarHBondContact O-N 2.56Å
182L94.9Very high91.8Very high107 Ų10765.2 Ų65.256%0.5632%0.316SS*.Hα-helixtrans-66-43.2177-72.4172.2000112K178 T179 V180 C185 H186K178-L182 HydrophobicContact CG-CD1 4.2Å; K178-L182 VanDerWaalsContact O-CG 3.27Å; K178-L182 WeakPolarHBondContact O-CG 3.49Å; K178-L182 PolarHBondContact O-N 3.38Å; T179-L182 PolarHBondContact O-N 3.47Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 2.91Å; L182-C185 PolarHBondContact O-N 3.38Å; L182-H186 PolarHBondContact O-N 2.97Å
183H94.8Very high90.4Very high66 Ų6670.7 Ų70.731%0.30634%0.343SS..Hα-helixtrans-60.9-50.1173.7-66.6163000111.2T136 Y137 Y140 T179 V180 C185 H186 T187T136-H183 HydrophobicContact CG2-CB 3.96Å; Y137-H183 HydrophobicContact CE1-CB 3.88Å; Y137-H183 PolarHBondContact OH-O 3.27Å; Y137-H183 VanDerWaalsContact OH-O 3.13Å; Y140-H183 AromaticContact CE2-ND1 3.98Å; Y140-H183 PolarHBondContact OH-CE1 3.12Å; Y140-H183 VanDerWaalsContact OH-CE1 3.28Å; Y140-H183 PolarHBondContact OH-ND1 3.33Å; T179-H183 PolarHBondContact O-N 3Å; T179-H183 VanDerWaalsContact O-N 3.11Å; V180-H183 PolarHBondContact O-N 2.78Å; H183-C185 VanDerWaalsContact C-N 3.27Å; H183-C185 PolarHBondContact O-N 2.87Å; H183-H186 WeakPolarHBondContact O-CA 3.15Å; H183-H186 WeakPolarHBondContact O-CB 3.27Å; H183-H186 PolarHBondContact O-N 3.43Å; H183-T187 PolarHBondContact O-N 3.37Å; H183-T187 PolarHBondContact O-OG1 3.13Å
184L94.3Very high88.7Confident2 Ų269.5 Ų69.51%0.0134%0.341CS..Hα-helixtrans-59.7-37.1177.8-71.6173.1000112.2I126 Y137 M145 A148 L152 V180 V181 T187 H188I126-L184 HydrophobicContact CG2-CB 4.19Å; I126-L184 HydrophobicContact CG2-CD1 4.07Å; I126-L184 HydrophobicContact CG2-CD2 4Å; I126-L184 HydrophobicContact CG2-CG 4.32Å; Y137-L184 HydrophobicContact CE1-CD2 3.76Å; Y137-L184 HydrophobicContact CE1-CG 4.06Å; Y137-L184 WeakPolarHBondContact OH-CA 3.08Å; Y137-L184 PolarHBondContact OH-N 3.36Å; M145-L184 HydrophobicContact CE-CD2 4.02Å; A148-L184 HydrophobicContact CB-CD1 3.86Å; L152-L184 HydrophobicContact CD2-CB 3.57Å; V180-L184 HydrophobicContact CG1-CD1 3.98Å; V180-L184 HydrophobicContact CG1-CG 4.27Å; V180-L184 WeakPolarHBondContact O-CB 3.34Å; V180-L184 WeakPolarHBondContact O-CG 3.25Å; V180-L184 PolarHBondContact O-N 3.04Å; V181-L184 PolarHBondContact O-N 3.18Å; L184-T187 PolarHBondContact O-N 3.47Å; L184-H188 VanDerWaalsContact O-CB 3.23Å; L184-H188 WeakPolarHBondContact O-CB 3.17Å; L184-H188 PolarHBondContact O-N 2.94Å
185C93.6Very high86.9Confident36 Ų3673 Ų7324%0.24336%0.36CS..Hα-helixtrans-64.4-41.6175.5-173.20000111.5L152 V181 L182 H183 K189L152-C185 HydrophobicContact CD1-CB 4.21Å; L152-C185 HydrophobicContact CD2-CB 4.4Å; V181-C185 VanDerWaalsContact O-CB 3.26Å; V181-C185 WeakPolarHBondContact O-CB 3.13Å; V181-C185 PolarHBondContact O-N 2.56Å; L182-C185 PolarHBondContact O-N 3.38Å; H183-C185 VanDerWaalsContact C-N 3.27Å; H183-C185 PolarHBondContact O-N 2.87Å; C185-K189 WeakPolarHBondContact O-CG 3.39Å; C185-K189 PolarHBondContact O-N 3.01Å; C185-K189 VanDerWaalsContact O-N 3.08Å
186H92.1Very high85Confident124 Ų12466.4 Ų66.457%0.57433%0.331SS*.Hα-helixtrans-64.9-49175.4-178.266000111.6L182 H183 H188 K189 T190L182-H186 PolarHBondContact O-N 2.97Å; H183-H186 WeakPolarHBondContact O-CA 3.15Å; H183-H186 WeakPolarHBondContact O-CB 3.27Å; H183-H186 PolarHBondContact O-N 3.43Å; H186-H188 PolarHBondContact O-N 3.14Å; H186-K189 PolarHBondContact O-N 2.83Å; H186-T190 PolarHBondContact O-N 3.4Å; H186-T190 PolarHBondContact O-OG1 2.99Å
187T91Very high83.5Confident7 Ų768 Ų684%0.04334%0.336CS..Hα-helixtrans-59.2-44.4176.1-630000111.3L129 E133 Y137 H183 L184 K189 T190 A191L129-T187 HydrophobicContact CB-CG2 4.08Å; E133-T187 VanDerWaalsContact CD-OG1 3.26Å; E133-T187 VanDerWaalsContact OE1-CG2 3.3Å; E133-T187 WeakPolarHBondContact OE1-CG2 3.46Å; E133-T187 PolarHBondContact OE1-OG1 3.05Å; E133-T187 PolarHBondContact OE2-OG1 2.97Å; Y137-T187 WeakPolarHBondContact OH-CB 3.39Å; Y137-T187 PolarHBondContact OH-OG1 2.9Å; H183-T187 PolarHBondContact O-N 3.37Å; H183-T187 PolarHBondContact O-OG1 3.13Å; L184-T187 PolarHBondContact O-N 3.47Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.23Å; T187-T190 PolarHBondContact O-N 3.14Å; T187-A191 VanDerWaalsContact O-CB 3.23Å; T187-A191 WeakPolarHBondContact O-CB 3.37Å; T187-A191 PolarHBondContact O-N 3.11Å
188H89.4Confident82.4Confident22 Ų2268.3 Ų68.310%0.10234%0.339CS..Hα-helixtrans-61.6-38.7177.6179.281.4000113Y125 L184 H186Y125-H188 AromaticContact CE1-CE1 3.83Å; Y125-H188 AromaticContact CE1-ND1 3.73Å; L184-H188 VanDerWaalsContact O-CB 3.23Å; L184-H188 WeakPolarHBondContact O-CB 3.17Å; L184-H188 PolarHBondContact O-N 2.94Å; H186-H188 PolarHBondContact O-N 3.14Å
189K87.8Confident81.5Confident130 Ų13061.8 Ų61.857%0.56531%0.31SS*.Hα-helixtrans-67.3-47.6175.6-74.8174.1-178.3175.90111.2C185 H186 T187 A191 K192C185-K189 WeakPolarHBondContact O-CG 3.39Å; C185-K189 PolarHBondContact O-N 3.01Å; C185-K189 VanDerWaalsContact O-N 3.08Å; H186-K189 PolarHBondContact O-N 2.83Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.23Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 3.32Å; K189-K192 WeakPolarHBondContact O-CB 3.49Å; K189-K192 PolarHBondContact O-N 2.64Å
190T85Confident80.6Confident32 Ų3262 Ų6220%0.19630%0.303CS..Hα-helixtrans-69-31.5-178-44.20000111.7H186 T187 K192 E193 L194H186-T190 PolarHBondContact O-N 3.4Å; H186-T190 PolarHBondContact O-OG1 2.99Å; T187-T190 PolarHBondContact O-N 3.14Å; T190-K192 PolarHBondContact O-N 2.93Å; T190-E193 CarbonylContact O-C 3.58Å; T190-E193 WeakPolarHBondContact O-CA 3.26Å; T190-E193 WeakPolarHBondContact O-CB 3.44Å; T190-E193 PolarHBondContact O-N 3.5Å; T190-L194 HydrophobicContact CG2-CD1 3.58Å; T190-L194 HydrophobicContact CG2-CG 4.13Å; T190-L194 PolarHBondContact O-N 2.96Å
191A80.1Confident79.6Confident4 Ų466.3 Ų66.33%0.03332%0.323CS..Hα-helixtrans-60.6-25.5174.200000112.9L129 T187 K189 E193 R200L129-A191 HydrophobicContact CD1-CB 4Å; L129-A191 HydrophobicContact CD2-CB 3.91Å; T187-A191 VanDerWaalsContact O-CB 3.23Å; T187-A191 WeakPolarHBondContact O-CB 3.37Å; T187-A191 PolarHBondContact O-N 3.11Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 3.32Å; A191-E193 PolarHBondContact O-N 3.5Å; A191-R200 WeakPolarHBondContact O-CD 3.45Å; A191-R200 PolarHBondContact O-NH1 3.02Å
192K70.1Confident78.9Confident135 Ų13566.7 Ų66.759%0.58732%0.323SS*.THydrogen-bonded Turntrans-68.2-28.8171.9-64.2-177.2179.7-178.70112.1K189 T190 R200K189-K192 WeakPolarHBondContact O-CB 3.49Å; K189-K192 PolarHBondContact O-N 2.64Å; T190-K192 PolarHBondContact O-N 2.93Å; K192-R200 PolarHBondContact O-NH1 3.38Å
193E66.8Low78.2Confident161 Ų16164.2 Ų64.275%0.75231%0.306SS*.THydrogen-bonded Turntrans-94-32-176.8-59176178.700112.4T190 A191T190-E193 CarbonylContact O-C 3.58Å; T190-E193 WeakPolarHBondContact O-CA 3.26Å; T190-E193 WeakPolarHBondContact O-CB 3.44Å; T190-E193 PolarHBondContact O-N 3.5Å; A191-E193 PolarHBondContact O-N 3.5Å
194L61.6Low77.2Confident88 Ų8866.9 Ų66.946%0.46132%0.323SS..SBendtrans-78.5138.2177.3-77.8158.9000111.4T190 T196T190-L194 HydrophobicContact CG2-CD1 3.58Å; T190-L194 HydrophobicContact CG2-CG 4.13Å; T190-L194 PolarHBondContact O-N 2.96Å; L194-T196 HydrophobicContact CB-CG2 4.43Å; L194-T196 PolarHBondContact O-N 3.11Å
195N54Low75.8Confident140 Ų14073.1 Ų73.175%0.74935%0.347SS*.  trans-70.940170.2-73.1-20.5000112.4Q197N195-Q197 PolarHBondContact O-N 3.01Å
196T56.2Low73.4Confident24 Ų2479.8 Ų79.815%0.14738%0.38CS..  trans-75.183.7165.847.60000107.3M132 L194 R200M132-T196 HydrophobicContact CE-CG2 3.85Å; L194-T196 HydrophobicContact CB-CG2 4.43Å; L194-T196 PolarHBondContact O-N 3.11Å; T196-R200 WeakPolarHBondContact O-CD 3.44Å; T196-R200 WeakPolarHBondContact O-CG 3.46Å
197Q64.3Low71.1Confident115 Ų11582.1 Ų82.154%0.53740%0.403SS..Hα-helixtrans-73.2-46.6-171.1-75.5179.4-19.500110.8N195 M199 R200 E201N195-Q197 PolarHBondContact O-N 3.01Å; Q197-M199 PolarHBondContact O-N 2.72Å; Q197-R200 PolarHBondContact O-N 3.3Å; Q197-E201 VanDerWaalsContact O-CB 3.27Å; Q197-E201 WeakPolarHBondContact O-CB 3.37Å; Q197-E201 WeakPolarHBondContact O-CG 3.32Å; Q197-E201 PolarHBondContact O-N 2.98Å
198A71.4Confident70.1Confident8 Ų885.9 Ų85.97%0.06642%0.421CS..Hα-helixtrans-59-53.3-171.100000113.5V10 E11 R200 E201 K202V10-A198 HydrophobicContact CB-CB 4.28Å; V10-A198 HydrophobicContact CG1-CB 4.05Å; E11-A198 HydrophobicContact CG-CB 3.59Å; A198-R200 VanDerWaalsContact C-N 3.35Å; A198-R200 PolarHBondContact O-N 3.11Å; A198-E201 PolarHBondContact O-N 3.35Å; A198-K202 WeakPolarHBondContact O-CB 3.49Å; A198-K202 PolarHBondContact O-N 3.24Å
199M76.9Confident69.1Low1 Ų189.2 Ų89.21%0.00544%0.438CS..Hα-helixtrans-65.2-36.1179.4-73.2-169.8177.300113I6 V10 E128 L129 L131 M132 Q197 Y203I6-M199 HydrophobicContact CG2-CE 4.24Å; V10-M199 HydrophobicContact CB-CG 4.42Å; V10-M199 HydrophobicContact CG1-CG 4.03Å; V10-M199 HydrophobicContact CG2-CE 3.44Å; V10-M199 VanDerWaalsContact CG2-CE 3.44Å; V10-M199 HydrophobicContact CG2-CG 3.81Å; E128-M199 HydrophobicContact CB-CE 4.29Å; E128-M199 HydrophobicContact CB-SD 4.16Å; E128-M199 WeakPolarHBondContact O-CE 3.24Å; L129-M199 HydrophobicContact CD2-SD 4.28Å; L131-M199 HydrophobicContact CB-CE 4.38Å; M132-M199 HydrophobicContact CG-CE 3.68Å; M132-M199 HydrophobicContact CG-SD 3.77Å; M132-M199 HydrophobicContact SD-CE 3.86Å; M132-M199 HydrophobicContact SD-SD 4.41Å; Q197-M199 PolarHBondContact O-N 2.72Å; M199-Y203 WeakPolarHBondContact O-CD2 3.5Å; M199-Y203 PolarHBondContact O-N 3.36Å
200R76.3Confident68Low83 Ų8386.9 Ų86.931%0.31343%0.43SS..Hα-helixtrans-71.2-39.3177.7-74.3177.162.9179.6-3.1111.3Y125 A191 K192 T196 Q197 A198 N204Y125-R200 HydrophobicContact CE2-CG 4.48Å; A191-R200 WeakPolarHBondContact O-CD 3.45Å; A191-R200 PolarHBondContact O-NH1 3.02Å; K192-R200 PolarHBondContact O-NH1 3.38Å; T196-R200 WeakPolarHBondContact O-CD 3.44Å; T196-R200 WeakPolarHBondContact O-CG 3.46Å; Q197-R200 PolarHBondContact O-N 3.3Å; A198-R200 VanDerWaalsContact C-N 3.35Å; A198-R200 PolarHBondContact O-N 3.11Å; R200-N204 VanDerWaalsContact O-CB 3.28Å; R200-N204 WeakPolarHBondContact O-CB 3.47Å; R200-N204 PolarHBondContact O-N 3.36Å; R200-N204 VanDerWaalsContact O-N 3.08Å; R200-N204 PolarHBondContact O-ND2 3.01Å
201E75.1Confident67Low91 Ų9190.2 Ų90.243%0.42544%0.444SS..Hα-helixtrans-66.5-42.8176.7-74.7175.3-167.300111.4Q197 A198 Y203 N204 R205Q197-E201 VanDerWaalsContact O-CB 3.27Å; Q197-E201 WeakPolarHBondContact O-CB 3.37Å; Q197-E201 WeakPolarHBondContact O-CG 3.32Å; Q197-E201 PolarHBondContact O-N 2.98Å; A198-E201 PolarHBondContact O-N 3.35Å; E201-Y203 VanDerWaalsContact C-N 3.3Å; E201-Y203 PolarHBondContact O-N 3.1Å; E201-N204 PolarHBondContact O-N 2.99Å; E201-N204 VanDerWaalsContact O-N 3.16Å; E201-R205 WeakPolarHBondContact O-CG 3.45Å; E201-R205 PolarHBondContact O-N 3.42Å
202K80.6Confident66.2Low25 Ų2595.6 Ų95.611%0.10947%0.47CS..Hα-helixtrans-49.2-50.8174.2174.2176.1179.6-172.90111.8V10 E14 T20 E128 A198V10-K202 HydrophobicContact CG1-CD 4.35Å; E14-K202 HydrophobicContact CG-CB 4.38Å; E14-K202 HydrophobicContact CG-CD 4.24Å; E14-K202 HydrophobicContact CG-CG 4.31Å; E14-K202 VanDerWaalsContact OE1-CD 3.22Å; E14-K202 WeakPolarHBondContact OE1-CD 3.27Å; E14-K202 WeakPolarHBondContact OE1-CE 3.34Å; E14-K202 WeakPolarHBondContact OE1-CG 3.4Å; E14-K202 IonicContact OE1-NZ 3.61Å; T20-K202 PolarHBondContact OG1-NZ 2.86Å; E128-K202 VanDerWaalsContact CD-NZ 3.27Å; E128-K202 IonicContact OE1-NZ 2.56Å; E128-K202 PolarHBondContact OE1-NZ 2.87Å; E128-K202 IonicContact OE2-NZ 3.52Å; E128-K202 PolarHBondContact OE2-NZ 3.49Å; A198-K202 WeakPolarHBondContact O-CB 3.49Å; A198-K202 PolarHBondContact O-N 3.24Å
203Y80.3Confident65.9Low54 Ų5492.9 Ų92.921%0.21246%0.462CS..Hα-helixtrans-87.9-3.8-176.7-76.6-89.6000115.2Y121 L124 Y125 E128 M199 E201Y121-Y203 HydrophobicContact CD1-CE1 4.5Å; Y121-Y203 WeakPolarHBondContact O-CE1 3.38Å; L124-Y203 HydrophobicContact CB-CE1 4.17Å; L124-Y203 WeakPolarHBondContact CB-OH 3.33Å; Y125-Y203 HydrophobicContact CD2-CD1 4.48Å; Y125-Y203 AromaticContact CD2-CD2 3.63Å; Y125-Y203 HydrophobicContact CD2-CD2 3.63Å; Y125-Y203 HydrophobicContact CD2-CE2 4.26Å; Y125-Y203 AromaticContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CD2-CG 3.75Å; Y125-Y203 HydrophobicContact CG-CD2 4.36Å; Y125-Y203 HydrophobicContact CG-CG 4.2Å; E128-Y203 PolarHBondContact OE1-OH 3.13Å; M199-Y203 WeakPolarHBondContact O-CD2 3.5Å; M199-Y203 PolarHBondContact O-N 3.36Å; E201-Y203 VanDerWaalsContact C-N 3.3Å; E201-Y203 PolarHBondContact O-N 3.1Å
204N75Confident65.9Low122 Ų12288.1 Ų88.165%0.65244%0.441SS*.Hα-helixtrans-94.9-11.9172-79.2-26.6000112.8R200 E201 D206R200-N204 VanDerWaalsContact O-CB 3.28Å; R200-N204 WeakPolarHBondContact O-CB 3.47Å; R200-N204 PolarHBondContact O-N 3.36Å; R200-N204 VanDerWaalsContact O-N 3.08Å; R200-N204 PolarHBondContact O-ND2 3.01Å; E201-N204 PolarHBondContact O-N 2.99Å; E201-N204 VanDerWaalsContact O-N 3.16Å; N204-D206 PolarHBondContact O-N 3.46Å
205R64.4Low66.2Low134 Ų13488.1 Ų88.151%0.50644%0.44SS..SBendtrans-72.2120.8173.4-70.7166.6-161-172.93107.5E14 E201 T207E14-R205 IonicContact OE2-NH1 3.32Å; E201-R205 WeakPolarHBondContact O-CG 3.45Å; E201-R205 PolarHBondContact O-N 3.42Å; R205-T207 VanDerWaalsContact C-N 3.32Å; R205-T207 PolarHBondContact O-N 2.91Å
206D44.1Very low67.2Low175 Ų17583.8 Ų83.894%0.93641%0.414SS*.  trans-62.194.8171.3-69.8-41.8000108.4N204N204-D206 PolarHBondContact O-N 3.46Å
207T42.3Very low68.2Low173 Ų17389.2 Ų89.2100%1.06144%0.438SS*.  trans-90016049.70000109.8R205R205-T207 VanDerWaalsContact C-N 3.32Å; R205-T207 PolarHBondContact O-N 2.91Å

Retrieved 207 of 207 residues in 272.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).