A0A087Y347_POEFO Loading...

Major intrinsic protein of lens fiber a

AlphaFold DB , UniProt , Accession A0A087Y347, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.8Low88Confident148 Ų14895.7 Ų95.773%0.72943%0.425SS*.  0126.50-72.2-176.4-78.100108.8E3 F4 F84M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.34Å; M1-F4 PolarHBondContact O-N 2.87Å; M1-F84 HydrophobicContact CE-CD2 3.26Å; M1-F84 HydrophobicContact CE-CE2 3.26Å; M1-F84 HydrophobicContact CE-CG 4.03Å; M1-F84 HydrophobicContact CE-CZ 4.06Å; M1-F84 HydrophobicContact SD-CB 4.15Å; M1-F84 HydrophobicContact SD-CD2 3.7Å; M1-F84 HydrophobicContact SD-CE2 4.22Å; M1-F84 HydrophobicContact SD-CG 3.89Å
2W79.9Confident88.8Confident84 Ų8487.8 Ų87.832%0.31839%0.391SS..THydrogen-bonded Turntrans-68.3-30.2-175.169-87.6000112.7F4 R5 S6 G239 R241W2-F4 VanDerWaalsContact C-N 3.26Å; W2-F4 PolarHBondContact O-N 2.93Å; W2-R5 PolarHBondContact O-N 3.07Å; W2-S6 PolarHBondContact O-N 3.39Å; W2-G239 PolarHBondContact NE1-O 3.3Å; W2-R241 HydrophobicContact CD2-CG 3.66Å; W2-R241 HydrophobicContact CE3-CG 4.33Å; W2-R241 HydrophobicContact CG-CG 3.89Å; W2-R241 HydrophobicContact CH2-CG 4.48Å; W2-R241 HydrophobicContact CZ2-CG 3.86Å
3E80.9Confident89.6Confident12 Ų1282.3 Ų82.36%0.05637%0.368CS..G310 helixtrans-55.8-42.8177.6-68.3-163.4111.200111.6M1 R5 S6 F9 S82 F84 R85M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.34Å; E3-R5 PolarHBondContact O-N 3.33Å; E3-S6 VanDerWaalsContact O-CB 3.3Å; E3-S6 WeakPolarHBondContact O-CB 3.23Å; E3-S6 PolarHBondContact O-N 3.11Å; E3-F9 HydrophobicContact CB-CD2 4.09Å; E3-F9 HydrophobicContact CB-CE2 4.45Å; E3-F9 WeakPolarHBondContact O-CB 3.29Å; E3-F9 WeakPolarHBondContact O-CG 3.46Å; E3-S82 PolarHBondContact OE1-OG 2.88Å; E3-S82 WeakPolarHBondContact OE2-CB 3.31Å; E3-S82 PolarHBondContact OE2-OG 3.15Å; E3-F84 HydrophobicContact CB-CD1 4.12Å; E3-F84 HydrophobicContact CB-CE1 4.4Å; E3-R85 IonicContact OE1-CZ 3.6Å; E3-R85 IonicContact OE1-NE 3.32Å; E3-R85 PolarHBondContact OE1-NE 3.46Å; E3-R85 IonicContact OE1-NH2 2.97Å; E3-R85 PolarHBondContact OE1-NH2 2.97Å
4F84.8Confident90.2Very high106 Ų10685.8 Ų85.847%0.46538%0.383SS..G310 helixtrans-59.8-29.4177.9-176.2-96.2000113.4M1 W2 S6 W10 F84M1-F4 PolarHBondContact O-N 2.87Å; W2-F4 VanDerWaalsContact C-N 3.26Å; W2-F4 PolarHBondContact O-N 2.93Å; F4-S6 VanDerWaalsContact C-N 3.33Å; F4-W10 HydrophobicContact CD2-CH2 4.1Å; F4-W10 AromaticContact CD2-CZ2 3.48Å; F4-W10 HydrophobicContact CD2-CZ2 3.48Å; F4-W10 VanDerWaalsContact CD2-CZ2 3.48Å; F4-W10 AromaticContact CE2-CH2 3.83Å; F4-W10 HydrophobicContact CE2-CH2 3.83Å; F4-W10 AromaticContact CE2-CZ2 3.38Å; F4-W10 HydrophobicContact CE2-CZ2 3.38Å; F4-W10 HydrophobicContact CG-CZ2 4.28Å; F4-W10 HydrophobicContact CZ-CZ2 4.04Å; F4-W10 PolarHBondContact O-NE1 3.24Å; F4-F84 HydrophobicContact CB-CE1 4.04Å; F4-F84 HydrophobicContact CB-CZ 4.03Å; F4-F84 HydrophobicContact CD2-CE1 4.45Å; F4-F84 AromaticContact CD2-CZ 3.89Å; F4-F84 HydrophobicContact CD2-CZ 3.89Å; F4-F84 HydrophobicContact CG-CZ 4.42Å
5R87Confident90.8Very high221 Ų22180.5 Ų80.583%0.83436%0.361SS*.G310 helixtrans-86.7-6.1177.8-62.9-176.2178.1175.6-1.6112.6W2 E3W2-R5 PolarHBondContact O-N 3.07Å; E3-R5 PolarHBondContact O-N 3.33Å
6S91.2Very high91.3Very high26 Ų2675.4 Ų75.418%0.18234%0.338CS..  trans-84.6126.8-178.2-175.40000111.8W2 E3 F4 S8 F9 W10W2-S6 PolarHBondContact O-N 3.39Å; E3-S6 VanDerWaalsContact O-CB 3.3Å; E3-S6 WeakPolarHBondContact O-CB 3.23Å; E3-S6 PolarHBondContact O-N 3.11Å; F4-S6 VanDerWaalsContact C-N 3.33Å; S6-S8 VanDerWaalsContact C-N 3.27Å; S6-S8 PolarHBondContact O-N 3.2Å; S6-S8 PolarHBondContact OG-N 3.34Å; S6-S8 PolarHBondContact OG-OG 2.73Å; S6-F9 WeakPolarHBondContact O-CB 3.47Å; S6-F9 PolarHBondContact O-N 3.12Å; S6-W10 VanDerWaalsContact O-CD1 3.3Å; S6-W10 PolarHBondContact O-N 3.42Å
7M92.6Very high91.7Very high126 Ų12674.3 Ų74.362%0.62133%0.333SS*.Hα-helixtrans-65.7-30.8172.1-70.6-58.5-65.500112.6F9 W10 R11M7-F9 VanDerWaalsContact C-N 3.27Å; M7-F9 PolarHBondContact O-N 2.97Å; M7-W10 PolarHBondContact O-N 3.41Å; M7-R11 VanDerWaalsContact O-CG 3.31Å; M7-R11 WeakPolarHBondContact O-CG 3.39Å; M7-R11 PolarHBondContact O-N 3.08Å
8S94.1Very high92.1Very high71 Ų7175.1 Ų75.150%0.49733%0.333SS..Hα-helixtrans-66-33.6176.263.80000111.8S6 A12S6-S8 VanDerWaalsContact C-N 3.27Å; S6-S8 PolarHBondContact O-N 3.2Å; S6-S8 PolarHBondContact OG-N 3.34Å; S6-S8 PolarHBondContact OG-OG 2.73Å; S8-A12 WeakPolarHBondContact O-CB 3.37Å; S8-A12 PolarHBondContact O-N 3.32Å
9F95.4Very high92.5Very high0 Ų071.1 Ų71.10%032%0.316CS..Hα-helixtrans-61.5-51.1174.4172.2-92.9000111E3 S6 M7 R11 A12 V13 F84 R85 F88E3-F9 HydrophobicContact CB-CD2 4.09Å; E3-F9 HydrophobicContact CB-CE2 4.45Å; E3-F9 WeakPolarHBondContact O-CB 3.29Å; E3-F9 WeakPolarHBondContact O-CG 3.46Å; S6-F9 WeakPolarHBondContact O-CB 3.47Å; S6-F9 PolarHBondContact O-N 3.12Å; M7-F9 VanDerWaalsContact C-N 3.27Å; M7-F9 PolarHBondContact O-N 2.97Å; F9-R11 VanDerWaalsContact C-N 3.34Å; F9-R11 PolarHBondContact O-N 3.12Å; F9-A12 WeakPolarHBondContact O-CB 3.41Å; F9-A12 PolarHBondContact O-N 3.29Å; F9-A12 VanDerWaalsContact O-N 3.1Å; F9-V13 HydrophobicContact CD1-CG2 4.17Å; F9-V13 HydrophobicContact CE1-CG2 3.77Å; F9-V13 HydrophobicContact CE2-CG2 4.29Å; F9-V13 HydrophobicContact CZ-CG2 3.84Å; F9-V13 WeakPolarHBondContact O-CG2 3.21Å; F9-V13 PolarHBondContact O-N 3.17Å; F9-F84 HydrophobicContact CE1-CE1 4.05Å; F9-F84 AromaticContact CE2-CD1 3.95Å; F9-F84 HydrophobicContact CE2-CD1 3.95Å; F9-F84 HydrophobicContact CE2-CE1 4.03Å; F9-F84 AromaticContact CZ-CD1 3.88Å; F9-F84 HydrophobicContact CZ-CD1 3.88Å; F9-F84 AromaticContact CZ-CE1 3.55Å; F9-F84 HydrophobicContact CZ-CE1 3.55Å; F9-F84 HydrophobicContact CZ-CZ 4.5Å; F9-R85 HydrophobicContact CE2-CB 4.04Å; F9-R85 HydrophobicContact CE2-CG 4.17Å; F9-F88 HydrophobicContact CE1-CG 4.28Å; F9-F88 HydrophobicContact CZ-CB 3.83Å; F9-F88 HydrophobicContact CZ-CD1 4.49Å; F9-F88 AromaticContact CZ-CD2 3.92Å; F9-F88 HydrophobicContact CZ-CD2 3.92Å; F9-F88 AromaticContact CZ-CG 3.81Å; F9-F88 HydrophobicContact CZ-CG 3.81Å
10W97.2Very high92.8Very high93 Ų9367.6 Ų67.635%0.35230%0.3SS..Hα-helixtrans-66.5-35-179.7-67.7112000113.5F4 S6 M7 A12 V13 F14 F88F4-W10 HydrophobicContact CD2-CH2 4.1Å; F4-W10 AromaticContact CD2-CZ2 3.48Å; F4-W10 HydrophobicContact CD2-CZ2 3.48Å; F4-W10 VanDerWaalsContact CD2-CZ2 3.48Å; F4-W10 AromaticContact CE2-CH2 3.83Å; F4-W10 HydrophobicContact CE2-CH2 3.83Å; F4-W10 AromaticContact CE2-CZ2 3.38Å; F4-W10 HydrophobicContact CE2-CZ2 3.38Å; F4-W10 HydrophobicContact CG-CZ2 4.28Å; F4-W10 HydrophobicContact CZ-CZ2 4.04Å; F4-W10 PolarHBondContact O-NE1 3.24Å; S6-W10 VanDerWaalsContact O-CD1 3.3Å; S6-W10 PolarHBondContact O-N 3.42Å; M7-W10 PolarHBondContact O-N 3.41Å; W10-A12 VanDerWaalsContact C-N 3.3Å; W10-A12 PolarHBondContact O-N 2.95Å; W10-V13 HydrophobicContact CE3-CB 4.44Å; W10-V13 PolarHBondContact O-N 3.1Å; W10-F14 WeakPolarHBondContact O-CB 3.3Å; W10-F14 PolarHBondContact O-N 3.38Å; W10-F88 HydrophobicContact CH2-CD1 4.19Å; W10-F88 AromaticContact CH2-CE1 3.69Å; W10-F88 HydrophobicContact CH2-CE1 3.69Å; W10-F88 HydrophobicContact CH2-CZ 4.31Å; W10-F88 AromaticContact CZ3-CD1 3.99Å; W10-F88 HydrophobicContact CZ3-CD1 3.99Å; W10-F88 AromaticContact CZ3-CE1 3.9Å; W10-F88 HydrophobicContact CZ3-CE1 3.9Å
11R97.9Very high93.1Very high166 Ų16666.1 Ų66.163%0.62629%0.294SS*.Hα-helixtrans-60.4-42170.7-73.3172.9179.9171.4-0.3111.4M7 F9 F14 A15 I62M7-R11 VanDerWaalsContact O-CG 3.31Å; M7-R11 WeakPolarHBondContact O-CG 3.39Å; M7-R11 PolarHBondContact O-N 3.08Å; F9-R11 VanDerWaalsContact C-N 3.34Å; F9-R11 PolarHBondContact O-N 3.12Å; R11-F14 PolarHBondContact O-N 3.01Å; R11-A15 VanDerWaalsContact O-CB 3.27Å; R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.11Å; R11-I62 HydrophobicContact CB-CG2 4.32Å
12A98.1Very high94.6Very high1 Ų161.7 Ų61.71%0.00827%0.271CS..Hα-helixtrans-67.5-41.8177.200000112.5S8 F9 W10 A15 E16 S63 Y89S8-A12 WeakPolarHBondContact O-CB 3.37Å; S8-A12 PolarHBondContact O-N 3.32Å; F9-A12 WeakPolarHBondContact O-CB 3.41Å; F9-A12 PolarHBondContact O-N 3.29Å; F9-A12 VanDerWaalsContact O-N 3.1Å; W10-A12 VanDerWaalsContact C-N 3.3Å; W10-A12 PolarHBondContact O-N 2.95Å; A12-A15 WeakPolarHBondContact O-CB 3.37Å; A12-A15 PolarHBondContact O-N 2.81Å; A12-E16 WeakPolarHBondContact O-CG 3.39Å; A12-E16 PolarHBondContact O-N 3.14Å; A12-S63 WeakPolarHBondContact O-CB 3.3Å; A12-Y89 HydrophobicContact CB-CE1 4.16Å; A12-Y89 WeakPolarHBondContact CB-OH 3.2Å
13V98.6Very high95.5Very high16 Ų1658.1 Ų58.110%0.09726%0.258CS..Hα-helixtrans-61.2-44.7174.4174.10000111.1F9 W10 A15 E16 F17 F88 Y89 A92F9-V13 HydrophobicContact CD1-CG2 4.17Å; F9-V13 HydrophobicContact CE1-CG2 3.77Å; F9-V13 HydrophobicContact CE2-CG2 4.29Å; F9-V13 HydrophobicContact CZ-CG2 3.84Å; F9-V13 WeakPolarHBondContact O-CG2 3.21Å; F9-V13 PolarHBondContact O-N 3.17Å; W10-V13 HydrophobicContact CE3-CB 4.44Å; W10-V13 PolarHBondContact O-N 3.1Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-E16 PolarHBondContact O-N 3.34Å; V13-F17 PolarHBondContact O-N 3.31Å; V13-F17 VanDerWaalsContact O-N 3.12Å; V13-F88 HydrophobicContact CG1-CB 4.46Å; V13-F88 HydrophobicContact CG2-CB 3.88Å; V13-Y89 HydrophobicContact CG2-CD1 4.26Å; V13-Y89 HydrophobicContact CG2-CE1 4.3Å; V13-A92 HydrophobicContact CG1-CB 3.85Å; V13-A92 WeakPolarHBondContact O-CB 3.39Å
14F98.7Very high96.4Very high131 Ų13157.6 Ų57.658%0.57526%0.255SS*.Hα-helixtrans-66-37.8175.8179.9-101.1000112.3W10 R11 E16 F17 Y18W10-F14 WeakPolarHBondContact O-CB 3.3Å; W10-F14 PolarHBondContact O-N 3.38Å; R11-F14 PolarHBondContact O-N 3.01Å; F14-E16 VanDerWaalsContact C-N 3.33Å; F14-E16 PolarHBondContact O-N 3.03Å; F14-F17 HydrophobicContact CD2-CD1 4.34Å; F14-F17 HydrophobicContact CE2-CD1 4.14Å; F14-F17 WeakPolarHBondContact O-CB 3.21Å; F14-F17 PolarHBondContact O-N 3.39Å; F14-Y18 WeakPolarHBondContact O-CB 3.23Å; F14-Y18 PolarHBondContact O-N 3.45Å
15A98.7Very high97Very high6 Ų655 Ų555%0.0524%0.244CC..Hα-helixtrans-59.8-43.5175.200000111.3R11 A12 V13 F17 Y18 G19 I59 I62R11-A15 VanDerWaalsContact O-CB 3.27Å; R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.11Å; A12-A15 WeakPolarHBondContact O-CB 3.37Å; A12-A15 PolarHBondContact O-N 2.81Å; V13-A15 VanDerWaalsContact C-N 3.35Å; A15-F17 PolarHBondContact O-N 3.41Å; A15-Y18 PolarHBondContact O-N 3.33Å; A15-G19 PolarHBondContact O-N 3.04Å; A15-I59 HydrophobicContact CB-CB 4.11Å; A15-I59 HydrophobicContact CB-CD1 4.31Å; A15-I59 HydrophobicContact CB-CG2 4.31Å; A15-I59 WeakPolarHBondContact O-CD1 3.27Å; A15-I62 HydrophobicContact CB-CB 4.24Å; A15-I62 HydrophobicContact CB-CG2 3.96Å
16E98.8Very high97.6Very high0 Ų048.9 Ų48.90%022%0.224CC..Hα-helixtrans-61.4-43173.7-70.9-62.2129.900112.9A12 V13 F14 T20 S63 G65 H66 I67 Y89 A92 Q93A12-E16 WeakPolarHBondContact O-CG 3.39Å; A12-E16 PolarHBondContact O-N 3.14Å; V13-E16 PolarHBondContact O-N 3.34Å; F14-E16 VanDerWaalsContact C-N 3.33Å; F14-E16 PolarHBondContact O-N 3.03Å; E16-T20 WeakPolarHBondContact O-CB 3.44Å; E16-T20 PolarHBondContact O-N 3Å; E16-T20 PolarHBondContact O-OG1 3.49Å; E16-T20 VanDerWaalsContact O-OG1 3.07Å; E16-S63 WeakPolarHBondContact OE1-CB 3.29Å; E16-S63 PolarHBondContact OE1-OG 2.78Å; E16-G65 WeakPolarHBondContact OE1-CA 3.43Å; E16-G65 PolarHBondContact OE1-N 3.48Å; E16-H66 PolarHBondContact OE1-N 2.84Å; E16-H66 WeakPolarHBondContact OE2-CB 3.3Å; E16-H66 PolarHBondContact OE2-N 3.25Å; E16-I67 WeakPolarHBondContact OE2-CA 3.39Å; E16-I67 PolarHBondContact OE2-N 2.82Å; E16-Y89 HydrophobicContact CG-CD1 4Å; E16-Y89 HydrophobicContact CG-CD2 3.54Å; E16-Y89 HydrophobicContact CG-CE1 4.07Å; E16-Y89 HydrophobicContact CG-CE2 3.61Å; E16-Y89 HydrophobicContact CG-CG 3.75Å; E16-A92 HydrophobicContact CB-CB 4.24Å; E16-Q93 HydrophobicContact CB-CG 4.26Å; E16-Q93 PolarHBondContact OE2-NE2 2.87Å
17F98.9Very high97.9Very high56 Ų5647.7 Ų47.725%0.24622%0.215CC..Hα-helixtrans-57.5-51.4172.7170.5-88.6000111.6V13 F14 A15 T20 M21 A92 L95 G96 A99V13-F17 PolarHBondContact O-N 3.31Å; V13-F17 VanDerWaalsContact O-N 3.12Å; F14-F17 HydrophobicContact CD2-CD1 4.34Å; F14-F17 HydrophobicContact CE2-CD1 4.14Å; F14-F17 WeakPolarHBondContact O-CB 3.21Å; F14-F17 PolarHBondContact O-N 3.39Å; A15-F17 PolarHBondContact O-N 3.41Å; F17-T20 PolarHBondContact O-N 3.44Å; F17-M21 HydrophobicContact CE1-SD 4.15Å; F17-M21 HydrophobicContact CZ-SD 4.4Å; F17-M21 VanDerWaalsContact O-CB 3.26Å; F17-M21 WeakPolarHBondContact O-CB 3.43Å; F17-M21 PolarHBondContact O-N 3.2Å; F17-A92 WeakPolarHBondContact CA-O 3.35Å; F17-A92 HydrophobicContact CB-CB 4.11Å; F17-L95 HydrophobicContact CD2-CB 4.03Å; F17-L95 HydrophobicContact CE2-CB 4.09Å; F17-G96 VanDerWaalsContact CD2-N 3.28Å; F17-G96 WeakPolarHBondContact O-CA 3.39Å; F17-A99 HydrophobicContact CE2-CB 4.18Å; F17-A99 HydrophobicContact CZ-CB 3.89Å
18Y98.8Very high98.2Very high88 Ų8841.7 Ų41.735%0.34519%0.186SC..Hα-helixtrans-60.8-49-179.2174.8-84.9000111.6F14 A15 M21 F22 F55 I59F14-Y18 WeakPolarHBondContact O-CB 3.23Å; F14-Y18 PolarHBondContact O-N 3.45Å; A15-Y18 PolarHBondContact O-N 3.33Å; Y18-M21 PolarHBondContact O-N 3.48Å; Y18-F22 HydrophobicContact CD1-CD2 4.15Å; Y18-F22 HydrophobicContact CD2-CD2 4.11Å; Y18-F22 AromaticContact CD2-CE2 3.73Å; Y18-F22 HydrophobicContact CD2-CE2 3.73Å; Y18-F22 AromaticContact CE1-CD2 3.84Å; Y18-F22 HydrophobicContact CE1-CD2 3.84Å; Y18-F22 HydrophobicContact CE1-CE2 4.08Å; Y18-F22 AromaticContact CE2-CD2 3.85Å; Y18-F22 HydrophobicContact CE2-CD2 3.85Å; Y18-F22 AromaticContact CE2-CE2 3.25Å; Y18-F22 HydrophobicContact CE2-CE2 3.25Å; Y18-F22 HydrophobicContact CE2-CZ 4.26Å; Y18-F22 HydrophobicContact CG-CD2 4.25Å; Y18-F22 HydrophobicContact CG-CE2 4.33Å; Y18-F22 AromaticContact CZ-CD2 3.66Å; Y18-F22 AromaticContact CZ-CE2 3.42Å; Y18-F22 VanDerWaalsContact CZ-CE2 3.42Å; Y18-F22 WeakPolarHBondContact O-CD2 3.44Å; Y18-F22 PolarHBondContact O-N 3.38Å; Y18-F22 VanDerWaalsContact O-N 3.15Å; Y18-F55 HydrophobicContact CE1-CD1 4.24Å; Y18-F55 HydrophobicContact CE1-CE1 4.42Å; Y18-I59 HydrophobicContact CD1-CG2 4.1Å
19G98.8Very high98.4Very high0 Ų038.8 Ų38.80%017%0.167CC..Hα-helixtrans-61.6-46.6-179.500000112A15 F23A15-G19 PolarHBondContact O-N 3.04Å; G19-F23 WeakPolarHBondContact O-CB 3.39Å; G19-F23 PolarHBondContact O-N 3.1Å
20T98.9Very high98.4Very high0 Ų039.5 Ų39.50%017%0.173CC..Hα-helixtrans-69.2-35.9178.4-54.50000112.4E16 F17 F22 F23 V24 I67 Q93 A97 A186E16-T20 WeakPolarHBondContact O-CB 3.44Å; E16-T20 PolarHBondContact O-N 3Å; E16-T20 PolarHBondContact O-OG1 3.49Å; E16-T20 VanDerWaalsContact O-OG1 3.07Å; F17-T20 PolarHBondContact O-N 3.44Å; T20-F22 PolarHBondContact O-N 2.9Å; T20-F23 PolarHBondContact O-N 3.42Å; T20-V24 HydrophobicContact CG2-CG2 4.1Å; T20-V24 WeakPolarHBondContact O-CB 3.48Å; T20-V24 WeakPolarHBondContact O-CG2 3.34Å; T20-V24 PolarHBondContact O-N 3.02Å; T20-I67 VanDerWaalsContact OG1-CA 3.29Å; T20-I67 WeakPolarHBondContact OG1-CA 3.24Å; T20-I67 PolarHBondContact OG1-O 2.91Å; T20-Q93 HydrophobicContact CG2-CB 4.31Å; T20-Q93 WeakPolarHBondContact CG2-O 3.47Å; T20-Q93 WeakPolarHBondContact OG1-CG 3.43Å; T20-A97 HydrophobicContact CG2-CB 3.79Å; T20-A186 HydrophobicContact CG2-CB 4.22Å
21M98.9Very high98.3Very high37 Ų3735.7 Ų35.718%0.18216%0.161CC..Hα-helixtrans-56.1-52.5175.2-179.6-175.37300111.7F17 Y18 F25 G96 A99 G100F17-M21 HydrophobicContact CE1-SD 4.15Å; F17-M21 HydrophobicContact CZ-SD 4.4Å; F17-M21 VanDerWaalsContact O-CB 3.26Å; F17-M21 WeakPolarHBondContact O-CB 3.43Å; F17-M21 PolarHBondContact O-N 3.2Å; Y18-M21 PolarHBondContact O-N 3.48Å; M21-F25 VanDerWaalsContact O-CB 3.3Å; M21-F25 WeakPolarHBondContact O-CB 3.46Å; M21-F25 PolarHBondContact O-N 2.87Å; M21-G96 WeakPolarHBondContact CA-O 3.37Å; M21-G96 WeakPolarHBondContact CB-O 3.14Å; M21-A99 HydrophobicContact CG-CB 4.14Å; M21-A99 HydrophobicContact SD-CB 4.16Å; M21-G100 WeakPolarHBondContact O-CA 3.29Å
22F98.8Very high98.2Very high56 Ų5628.3 Ų28.325%0.24613%0.134CC..Hα-helixtrans-72.6-38.9180-76.2-72.4000112.8Y18 T20 V24 F25 F26 F55Y18-F22 HydrophobicContact CD1-CD2 4.15Å; Y18-F22 HydrophobicContact CD2-CD2 4.11Å; Y18-F22 AromaticContact CD2-CE2 3.73Å; Y18-F22 HydrophobicContact CD2-CE2 3.73Å; Y18-F22 AromaticContact CE1-CD2 3.84Å; Y18-F22 HydrophobicContact CE1-CD2 3.84Å; Y18-F22 HydrophobicContact CE1-CE2 4.08Å; Y18-F22 AromaticContact CE2-CD2 3.85Å; Y18-F22 HydrophobicContact CE2-CD2 3.85Å; Y18-F22 AromaticContact CE2-CE2 3.25Å; Y18-F22 HydrophobicContact CE2-CE2 3.25Å; Y18-F22 HydrophobicContact CE2-CZ 4.26Å; Y18-F22 HydrophobicContact CG-CD2 4.25Å; Y18-F22 HydrophobicContact CG-CE2 4.33Å; Y18-F22 AromaticContact CZ-CD2 3.66Å; Y18-F22 AromaticContact CZ-CE2 3.42Å; Y18-F22 VanDerWaalsContact CZ-CE2 3.42Å; Y18-F22 WeakPolarHBondContact O-CD2 3.44Å; Y18-F22 PolarHBondContact O-N 3.38Å; Y18-F22 VanDerWaalsContact O-N 3.15Å; T20-F22 PolarHBondContact O-N 2.9Å; F22-V24 VanDerWaalsContact C-N 3.27Å; F22-V24 PolarHBondContact O-N 2.67Å; F22-F25 PolarHBondContact O-N 3.24Å; F22-F26 HydrophobicContact CB-CD2 4.2Å; F22-F26 HydrophobicContact CB-CE2 4.25Å; F22-F26 HydrophobicContact CD1-CD2 4.32Å; F22-F26 AromaticContact CD1-CE2 3.69Å; F22-F26 HydrophobicContact CD1-CE2 3.69Å; F22-F26 HydrophobicContact CG-CE2 4.4Å; F22-F26 WeakPolarHBondContact O-CD2 3.28Å; F22-F26 PolarHBondContact O-N 3.23Å; F22-F55 HydrophobicContact CB-CD1 4.09Å; F22-F55 HydrophobicContact CB-CD2 3.98Å; F22-F55 HydrophobicContact CB-CE1 3.55Å; F22-F55 HydrophobicContact CB-CE2 3.45Å; F22-F55 VanDerWaalsContact CB-CE2 3.45Å; F22-F55 HydrophobicContact CB-CG 4.32Å; F22-F55 HydrophobicContact CB-CZ 3.24Å; F22-F55 HydrophobicContact CD1-CZ 4.36Å; F22-F55 HydrophobicContact CD2-CE1 4.21Å; F22-F55 AromaticContact CG-CE1 3.91Å; F22-F55 HydrophobicContact CG-CE1 3.91Å; F22-F55 AromaticContact CG-CZ 3.86Å; F22-F55 HydrophobicContact CG-CZ 3.86Å
23F98.8Very high97.8Very high9 Ų934 Ų344%0.03916%0.155CC..Hα-helixtrans-53.5-46.4174.1172-104.3000111.7G19 T20 G27 F48 A51 A52 I67 N184 R187G19-F23 WeakPolarHBondContact O-CB 3.39Å; G19-F23 PolarHBondContact O-N 3.1Å; T20-F23 PolarHBondContact O-N 3.42Å; F23-G27 PolarHBondContact O-N 2.97Å; F23-F48 HydrophobicContact CE1-CD1 4.31Å; F23-F48 HydrophobicContact CE1-CE1 4.34Å; F23-F48 AromaticContact CE2-CD1 3.75Å; F23-F48 HydrophobicContact CE2-CD1 3.75Å; F23-F48 AromaticContact CZ-CD1 3.58Å; F23-F48 HydrophobicContact CZ-CD1 3.58Å; F23-F48 HydrophobicContact CZ-CE1 4.04Å; F23-A51 HydrophobicContact CD2-CB 4.2Å; F23-A52 HydrophobicContact CD2-CB 4.31Å; F23-A52 HydrophobicContact CE2-CB 4.07Å; F23-I67 HydrophobicContact CB-CD1 4.44Å; F23-I67 HydrophobicContact CD2-CD1 4.2Å; F23-I67 HydrophobicContact CG-CD1 4.26Å; F23-N184 WeakPolarHBondContact CE1-ND2 3.27Å; F23-R187 HydrophobicContact CE1-CB 4.05Å; F23-R187 HydrophobicContact CE1-CG 4.19Å
24V98.9Very high97.3Very high0 Ų039.2 Ų39.20%017%0.174CC..Hα-helixtrans-72.8-42178.7173.20000111.8T20 F22 F26 L28 A97 A101 R187 A190T20-V24 HydrophobicContact CG2-CG2 4.1Å; T20-V24 WeakPolarHBondContact O-CB 3.48Å; T20-V24 WeakPolarHBondContact O-CG2 3.34Å; T20-V24 PolarHBondContact O-N 3.02Å; F22-V24 VanDerWaalsContact C-N 3.27Å; F22-V24 PolarHBondContact O-N 2.67Å; V24-F26 PolarHBondContact O-N 2.94Å; V24-L28 HydrophobicContact CG1-CD1 3.47Å; V24-L28 VanDerWaalsContact CG1-CD1 3.47Å; V24-L28 HydrophobicContact CG1-CG 3.8Å; V24-L28 VanDerWaalsContact O-CB 3.27Å; V24-L28 WeakPolarHBondContact O-CB 3.07Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.41Å; V24-L28 PolarHBondContact O-N 2.87Å; V24-A97 HydrophobicContact CB-CB 4.42Å; V24-A97 WeakPolarHBondContact CG1-O 3.2Å; V24-A97 HydrophobicContact CG2-CB 3.73Å; V24-A101 HydrophobicContact CG1-CB 4.11Å; V24-R187 HydrophobicContact CG2-CB 4.15Å; V24-A190 HydrophobicContact CG1-CB 4.27Å
25F98.8Very high96.7Very high51 Ų5138.4 Ų38.422%0.22418%0.179CC..Hα-helixtrans-55.6-53.2176.9175.3-95.5000111.9M21 F22 G29 V103 L104 V107M21-F25 VanDerWaalsContact O-CB 3.3Å; M21-F25 WeakPolarHBondContact O-CB 3.46Å; M21-F25 PolarHBondContact O-N 2.87Å; F22-F25 PolarHBondContact O-N 3.24Å; F25-G29 PolarHBondContact O-N 3.14Å; F25-G29 VanDerWaalsContact O-N 3.08Å; F25-V103 HydrophobicContact CD2-CB 4.33Å; F25-V103 HydrophobicContact CD2-CG1 4.05Å; F25-V103 HydrophobicContact CE2-CG1 3.84Å; F25-L104 HydrophobicContact CD2-CB 3.85Å; F25-L104 HydrophobicContact CD2-CD1 4.49Å; F25-L104 HydrophobicContact CE2-CB 4.14Å; F25-L104 HydrophobicContact CE2-CD1 4.25Å; F25-V107 HydrophobicContact CE2-CG2 4.11Å; F25-V107 HydrophobicContact CZ-CG2 4.47Å
26F98.6Very high95.9Very high94 Ų9445.1 Ų45.141%0.41222%0.22SC..Hα-helixtrans-70.6-45.8-179.1-74-69.1000112F22 V24 G29 A30 C47 A51 F55F22-F26 HydrophobicContact CB-CD2 4.2Å; F22-F26 HydrophobicContact CB-CE2 4.25Å; F22-F26 HydrophobicContact CD1-CD2 4.32Å; F22-F26 AromaticContact CD1-CE2 3.69Å; F22-F26 HydrophobicContact CD1-CE2 3.69Å; F22-F26 HydrophobicContact CG-CE2 4.4Å; F22-F26 WeakPolarHBondContact O-CD2 3.28Å; F22-F26 PolarHBondContact O-N 3.23Å; V24-F26 PolarHBondContact O-N 2.94Å; F26-G29 PolarHBondContact O-N 3.47Å; F26-A30 PolarHBondContact O-N 3.02Å; F26-C47 PolarHBondContact O-SG 2.85Å; F26-A51 HydrophobicContact CB-CB 4.38Å; F26-F55 AromaticContact CD2-CE2 3.82Å; F26-F55 HydrophobicContact CD2-CE2 3.82Å; F26-F55 AromaticContact CD2-CZ 3.96Å; F26-F55 HydrophobicContact CD2-CZ 3.96Å; F26-F55 HydrophobicContact CE2-CE2 4.17Å; F26-F55 AromaticContact CE2-CZ 3.8Å; F26-F55 HydrophobicContact CE2-CZ 3.8Å
27G98.2Very high95Very high0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-62.7-49.9-177.700000113.1F23 G29 A31 F48F23-G27 PolarHBondContact O-N 2.97Å; G27-G29 VanDerWaalsContact C-N 3.34Å; G27-A31 WeakPolarHBondContact O-CB 3.49Å; G27-A31 PolarHBondContact O-N 3.46Å; G27-F48 VanDerWaalsContact C-CE2 3.45Å; G27-F48 WeakPolarHBondContact O-CE2 3.22Å; G27-F48 WeakPolarHBondContact O-CZ 3.4Å
28L98.3Very high94.1Very high0 Ų050.6 Ų50.60%027%0.269CS..Hα-helixtrans-64.2-41.8175.7-63.2-174.6000110.9V24 A30 A31 L32 A101 L104 A117 P191V24-L28 HydrophobicContact CG1-CD1 3.47Å; V24-L28 VanDerWaalsContact CG1-CD1 3.47Å; V24-L28 HydrophobicContact CG1-CG 3.8Å; V24-L28 VanDerWaalsContact O-CB 3.27Å; V24-L28 WeakPolarHBondContact O-CB 3.07Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.41Å; V24-L28 PolarHBondContact O-N 2.87Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.25Å; L28-A31 CarbonylContact O-C 3.17Å; L28-A31 PolarHBondContact O-N 2.61Å; L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-L32 VanDerWaalsContact O-N 3.11Å; L28-A101 HydrophobicContact CD1-CB 3.85Å; L28-L104 HydrophobicContact CB-CD2 3.44Å; L28-L104 VanDerWaalsContact CB-CD2 3.44Å; L28-A117 HydrophobicContact CB-CB 4.37Å; L28-A117 HydrophobicContact CD2-CB 3.92Å; L28-P191 HydrophobicContact CD1-CB 4.3Å; L28-P191 HydrophobicContact CD1-CG 4.29Å; L28-P191 HydrophobicContact CD2-CG 4.26Å
29G97.4Very high93.1Very high11 Ų1150.5 Ų50.511%0.11327%0.272CS..Hα-helixtrans-57-45.7179.700000112.4F25 F26 G27 A31 L32 W34F25-G29 PolarHBondContact O-N 3.14Å; F25-G29 VanDerWaalsContact O-N 3.08Å; F26-G29 PolarHBondContact O-N 3.47Å; G27-G29 VanDerWaalsContact C-N 3.34Å; G29-A31 VanDerWaalsContact C-N 3.29Å; G29-A31 PolarHBondContact O-N 3.36Å; G29-L32 WeakPolarHBondContact O-CB 3.35Å; G29-L32 PolarHBondContact O-N 3.12Å; G29-W34 PolarHBondContact O-NE1 3.32Å
30A95.8Very high92.7Very high14 Ų1455 Ų5512%0.11630%0.296CS..Hα-helixtrans-69.8-25.6176.600000113.5F26 L28 L32 C47F26-A30 PolarHBondContact O-N 3.02Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.25Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-C47 HydrophobicContact CB-CB 3.44Å; A30-C47 VanDerWaalsContact CB-CB 3.44Å; A30-C47 WeakPolarHBondContact CB-SG 3.46Å
31A95.8Very high92.5Very high13 Ų1355.6 Ų55.611%0.10730%0.3CS..Hα-helixtrans-82.8-8.8177.700000114G27 L28 G29 V44 F48 A117G27-A31 WeakPolarHBondContact O-CB 3.49Å; G27-A31 PolarHBondContact O-N 3.46Å; L28-A31 CarbonylContact O-C 3.17Å; L28-A31 PolarHBondContact O-N 2.61Å; G29-A31 VanDerWaalsContact C-N 3.29Å; G29-A31 PolarHBondContact O-N 3.36Å; A31-V44 HydrophobicContact CB-CG1 3.97Å; A31-V44 HydrophobicContact CB-CG2 4.27Å; A31-F48 HydrophobicContact CB-CE2 4.39Å; A31-A117 HydrophobicContact CB-CB 3.49Å; A31-A117 VanDerWaalsContact CB-CB 3.49Å
32L94.9Very high92.4Very high12 Ų1258.3 Ų58.36%0.06331%0.314CS..SBendtrans-64.1156.2172.4-61.4-178000111.7L28 G29 A30 W34 L104 T108 A117L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-L32 VanDerWaalsContact O-N 3.11Å; G29-L32 WeakPolarHBondContact O-CB 3.35Å; G29-L32 PolarHBondContact O-N 3.12Å; A30-L32 VanDerWaalsContact C-N 3.34Å; L32-W34 VanDerWaalsContact C-N 3.34Å; L32-W34 HydrophobicContact CB-CZ2 4.44Å; L32-W34 HydrophobicContact CD1-CZ2 3.93Å; L32-W34 PolarHBondContact O-N 2.95Å; L32-L104 HydrophobicContact CD1-CD1 4.33Å; L32-L104 HydrophobicContact CD1-CD2 4.4Å; L32-L104 HydrophobicContact CD1-CG 4.5Å; L32-T108 HydrophobicContact CD1-CG2 3.61Å; L32-A117 HydrophobicContact CD2-CB 4.47Å
33R89.6Confident92.2Very high119 Ų11960.3 Ų60.345%0.44932%0.324SS..  trans-8475.4-178-71.7-65-159.9165.74.3111.3G37 H39 M112R33-G37 PolarHBondContact NH1-O 3.4Å; R33-H39 VanDerWaalsContact CD-CE1 3.42Å; R33-H39 WeakPolarHBondContact CD-CE1 3.44Å; R33-H39 VanDerWaalsContact CZ-ND1 3.28Å; R33-H39 PolarHBondContact NE-CE1 3.29Å; R33-H39 PolarHBondContact NE-ND1 3.31Å; R33-H39 PolarHBondContact NE-NE2 2.94Å; R33-H39 VanDerWaalsContact NH1-CG 3.31Å; R33-H39 PolarHBondContact NH1-ND1 2.99Å; R33-H39 PolarHBondContact NH2-CD2 3.39Å; R33-H39 PolarHBondContact NH2-NE2 3.46Å; R33-M112 WeakPolarHBondContact O-CE 3.21Å
34W89.2Confident92.1Very high127 Ų12760.5 Ų60.548%0.48133%0.326SS..  trans-70.6-29.9179.6-65.5103.6000114.5G29 L32 T108 M112G29-W34 PolarHBondContact O-NE1 3.32Å; L32-W34 VanDerWaalsContact C-N 3.34Å; L32-W34 HydrophobicContact CB-CZ2 4.44Å; L32-W34 HydrophobicContact CD1-CZ2 3.93Å; L32-W34 PolarHBondContact O-N 2.95Å; W34-T108 HydrophobicContact CH2-CG2 4.36Å; W34-M112 HydrophobicContact CB-CE 4.41Å; W34-M112 HydrophobicContact CD2-CE 4.33Å; W34-M112 HydrophobicContact CE3-CE 3.73Å; W34-M112 HydrophobicContact CE3-CG 4.44Å; W34-M112 HydrophobicContact CZ3-CB 4.27Å; W34-M112 HydrophobicContact CZ3-CE 4.38Å; W34-M112 HydrophobicContact CZ3-CG 4.2Å; W34-M112 WeakPolarHBondContact O-CE 3.35Å
35T86.2Confident92.1Very high113 Ų11360.5 Ų60.569%0.69333%0.326SS*.SBendtrans-131152.4-177.358.10000110.9
36T81.5Confident92.1Very high148 Ų14862.2 Ų62.291%0.90833%0.334SS*.SBendtrans-72131.5172.551.20000110
37G80.3Confident92Very high45 Ų4559.2 Ų59.246%0.46432%0.324SS..SBendtrans134.6-170.7177.200000114.1R33R33-G37 PolarHBondContact NH1-O 3.4Å
38P78.9Confident92.1Very high125 Ų12559.2 Ų59.281%0.81232%0.324SS*.SBendtrans-62.5149.8177.826.9-33.3000110.9N40P38-N40 PolarHBondContact O-N 3.46Å
39H79.3Confident92.1Very high87 Ų8759.2 Ų59.240%0.40332%0.324SS..  trans-61.9128.8173.8-85.8-67.5000109.4R33 V41R33-H39 VanDerWaalsContact CD-CE1 3.42Å; R33-H39 WeakPolarHBondContact CD-CE1 3.44Å; R33-H39 VanDerWaalsContact CZ-ND1 3.28Å; R33-H39 PolarHBondContact NE-CE1 3.29Å; R33-H39 PolarHBondContact NE-ND1 3.31Å; R33-H39 PolarHBondContact NE-NE2 2.94Å; R33-H39 VanDerWaalsContact NH1-CG 3.31Å; R33-H39 PolarHBondContact NH1-ND1 2.99Å; R33-H39 PolarHBondContact NH2-CD2 3.39Å; R33-H39 PolarHBondContact NH2-NE2 3.46Å; H39-V41 PolarHBondContact O-N 3.08Å
40N89.2Confident92.1Very high95 Ų9562.5 Ų62.551%0.50834%0.339SS..  trans-78.891170.5-172.2-24.9000109.4P38 L42 H43 V44P38-N40 PolarHBondContact O-N 3.46Å; N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 WeakPolarHBondContact OD1-CB 3.49Å; N40-L42 PolarHBondContact OD1-N 3.4Å; N40-H43 HydrophobicContact CB-CB 3.94Å; N40-H43 PolarHBondContact O-N 2.85Å; N40-H43 PolarHBondContact OD1-N 2.81Å; N40-V44 PolarHBondContact O-N 3.47Å
41V94.9Very high92.3Very high12 Ų1262.2 Ų62.27%0.07334%0.336CS..Hα-helixtrans-58.2-38.9-179.8173.80000111.6H39 V44 A45 L173 I176 Y177H39-V41 PolarHBondContact O-N 3.08Å; V41-V44 PolarHBondContact O-N 3.26Å; V41-A45 VanDerWaalsContact O-CB 3.22Å; V41-A45 WeakPolarHBondContact O-CB 3.39Å; V41-A45 PolarHBondContact O-N 3.05Å; V41-L173 HydrophobicContact CG1-CD2 4.47Å; V41-I176 HydrophobicContact CG1-CB 4.26Å; V41-I176 HydrophobicContact CG1-CD1 4.05Å; V41-I176 HydrophobicContact CG2-CB 4.4Å; V41-I176 HydrophobicContact CG2-CG2 3.81Å; V41-Y177 HydrophobicContact CG1-CE2 4.08Å; V41-Y177 HydrophobicContact CG2-CE1 3.8Å; V41-Y177 HydrophobicContact CG2-CE2 4.14Å; V41-Y177 WeakPolarHBondContact CG2-OH 3.4Å
42L96.4Very high92.4Very high93 Ų9361.7 Ų61.749%0.48733%0.332SS..Hα-helixtrans-62.8-46.3179.9-17062.7000111.3N40 V44 A45 F46 L173N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 WeakPolarHBondContact OD1-CB 3.49Å; N40-L42 PolarHBondContact OD1-N 3.4Å; L42-V44 PolarHBondContact O-N 2.63Å; L42-A45 PolarHBondContact O-N 3.01Å; L42-F46 HydrophobicContact CD1-CD2 3.7Å; L42-F46 HydrophobicContact CD1-CE2 3.47Å; L42-F46 VanDerWaalsContact CD1-CE2 3.47Å; L42-F46 HydrophobicContact CD2-CE2 4.45Å; L42-F46 HydrophobicContact CG-CD2 3.79Å; L42-F46 HydrophobicContact CG-CE2 3.84Å; L42-F46 WeakPolarHBondContact O-CB 3.31Å; L42-F46 WeakPolarHBondContact O-CD2 3.26Å; L42-F46 PolarHBondContact O-N 2.71Å; L42-L173 HydrophobicContact CD1-CD2 3.85Å
43H95.6Very high92.6Very high99 Ų9961.6 Ų61.646%0.45833%0.333SS..Hα-helixtrans-58.5-49.2177.1176.3-161.2000111.6N40 F46 C47N40-H43 HydrophobicContact CB-CB 3.94Å; N40-H43 PolarHBondContact O-N 2.85Å; N40-H43 PolarHBondContact OD1-N 2.81Å; H43-F46 PolarHBondContact O-N 3.3Å; H43-C47 WeakPolarHBondContact O-CB 3.18Å; H43-C47 PolarHBondContact O-N 2.91Å
44V96.8Very high93Very high13 Ų1359.6 Ų59.68%0.07933%0.334CS..Hα-helixtrans-64.1-45.8180179.60000110.9A31 N40 V41 L42 F46 C47 F48 I176A31-V44 HydrophobicContact CB-CG1 3.97Å; A31-V44 HydrophobicContact CB-CG2 4.27Å; N40-V44 PolarHBondContact O-N 3.47Å; V41-V44 PolarHBondContact O-N 3.26Å; L42-V44 PolarHBondContact O-N 2.63Å; V44-F46 PolarHBondContact O-N 3.01Å; V44-C47 PolarHBondContact O-N 3.22Å; V44-F48 HydrophobicContact CG1-CD2 3.68Å; V44-F48 HydrophobicContact CG1-CE2 3.75Å; V44-F48 WeakPolarHBondContact O-CD2 3.15Å; V44-F48 PolarHBondContact O-N 3.03Å; V44-I176 HydrophobicContact CB-CD1 3.88Å; V44-I176 HydrophobicContact CG1-CD1 3.7Å
45A98.3Very high93.4Very high0 Ų054.4 Ų54.40%032%0.315CS..Hα-helixtrans-60.8-43.8179.100000112.4V41 L42 G49 L169 H172 L173V41-A45 VanDerWaalsContact O-CB 3.22Å; V41-A45 WeakPolarHBondContact O-CB 3.39Å; V41-A45 PolarHBondContact O-N 3.05Å; L42-A45 PolarHBondContact O-N 3.01Å; A45-G49 PolarHBondContact O-N 3.36Å; A45-L169 HydrophobicContact CB-CG 4.16Å; A45-H172 HydrophobicContact CB-CB 3.57Å; A45-L173 HydrophobicContact CB-CD2 3.78Å; A45-L173 HydrophobicContact CB-CG 3.98Å
46F98.3Very high94Very high87 Ų8750 Ų5038%0.38229%0.286SS..Hα-helixtrans-63.4-43.3174.5-93.6-74.1000112.1L42 H43 V44 G49 L50 L169L42-F46 HydrophobicContact CD1-CD2 3.7Å; L42-F46 HydrophobicContact CD1-CE2 3.47Å; L42-F46 VanDerWaalsContact CD1-CE2 3.47Å; L42-F46 HydrophobicContact CD2-CE2 4.45Å; L42-F46 HydrophobicContact CG-CD2 3.79Å; L42-F46 HydrophobicContact CG-CE2 3.84Å; L42-F46 WeakPolarHBondContact O-CB 3.31Å; L42-F46 WeakPolarHBondContact O-CD2 3.26Å; L42-F46 PolarHBondContact O-N 2.71Å; H43-F46 PolarHBondContact O-N 3.3Å; V44-F46 PolarHBondContact O-N 3.01Å; F46-G49 PolarHBondContact O-N 3.26Å; F46-L50 HydrophobicContact CD1-CD1 4.22Å; F46-L50 HydrophobicContact CD1-CG 4.39Å; F46-L50 VanDerWaalsContact O-CB 3.26Å; F46-L50 WeakPolarHBondContact O-CB 3.19Å; F46-L50 VanDerWaalsContact O-CG 3.24Å; F46-L50 WeakPolarHBondContact O-CG 3.32Å; F46-L50 PolarHBondContact O-N 2.77Å; F46-L169 HydrophobicContact CB-CD1 4.44Å; F46-L169 HydrophobicContact CD1-CD1 3.44Å; F46-L169 VanDerWaalsContact CD1-CD1 3.44Å; F46-L169 HydrophobicContact CD2-CD1 4.22Å; F46-L169 HydrophobicContact CE1-CD1 3.58Å; F46-L169 HydrophobicContact CE2-CD1 4.36Å; F46-L169 HydrophobicContact CG-CD1 3.78Å; F46-L169 HydrophobicContact CZ-CD1 4.05Å
47C98.2Very high94.8Very high30 Ų3048.3 Ų48.320%0.20327%0.268CS..Hα-helixtrans-62.3-48.8-179.7-172.20000111.7F26 A30 H43 V44 G49 A51F26-C47 PolarHBondContact O-SG 2.85Å; A30-C47 HydrophobicContact CB-CB 3.44Å; A30-C47 VanDerWaalsContact CB-CB 3.44Å; A30-C47 WeakPolarHBondContact CB-SG 3.46Å; H43-C47 WeakPolarHBondContact O-CB 3.18Å; H43-C47 PolarHBondContact O-N 2.91Å; V44-C47 PolarHBondContact O-N 3.22Å; C47-G49 PolarHBondContact O-N 2.86Å; C47-A51 WeakPolarHBondContact O-CB 3.45Å; C47-A51 PolarHBondContact O-N 3.07Å
48F98.6Very high95.7Very high0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-61.9-43.5176.8-86.8-78.8000112.4F23 G27 A31 V44 A52 V168 H172 R187F23-F48 HydrophobicContact CE1-CD1 4.31Å; F23-F48 HydrophobicContact CE1-CE1 4.34Å; F23-F48 AromaticContact CE2-CD1 3.75Å; F23-F48 HydrophobicContact CE2-CD1 3.75Å; F23-F48 AromaticContact CZ-CD1 3.58Å; F23-F48 HydrophobicContact CZ-CD1 3.58Å; F23-F48 HydrophobicContact CZ-CE1 4.04Å; G27-F48 VanDerWaalsContact C-CE2 3.45Å; G27-F48 WeakPolarHBondContact O-CE2 3.22Å; G27-F48 WeakPolarHBondContact O-CZ 3.4Å; A31-F48 HydrophobicContact CB-CE2 4.39Å; V44-F48 HydrophobicContact CG1-CD2 3.68Å; V44-F48 HydrophobicContact CG1-CE2 3.75Å; V44-F48 WeakPolarHBondContact O-CD2 3.15Å; V44-F48 PolarHBondContact O-N 3.03Å; F48-A52 WeakPolarHBondContact O-CB 3.26Å; F48-A52 PolarHBondContact O-N 2.99Å; F48-V168 HydrophobicContact CB-CG1 4.05Å; F48-H172 AromaticContact CD1-NE2 3.65Å; F48-H172 AromaticContact CD2-CD2 3.52Å; F48-H172 AromaticContact CD2-NE2 3.39Å; F48-H172 WeakPolarHBondContact CD2-NE2 3.22Å; F48-H172 AromaticContact CE2-NE2 3.89Å; F48-H172 AromaticContact CG-CD2 3.73Å; F48-H172 AromaticContact CG-CE1 3.8Å; F48-H172 AromaticContact CG-NE2 3.25Å; F48-H172 WeakPolarHBondContact CG-NE2 3.42Å; F48-R187 HydrophobicContact CE1-CG 3.97Å; F48-R187 HydrophobicContact CZ-CG 4.46Å; F48-R187 VanDerWaalsContact CZ-NH2 3.3Å
49G98.6Very high96.6Very high1 Ų143.4 Ų43.41%0.0123%0.229CC..Hα-helixtrans-65.7-46.2179.400000113.5A45 F46 C47 A52 A53 G165A45-G49 PolarHBondContact O-N 3.36Å; F46-G49 PolarHBondContact O-N 3.26Å; C47-G49 PolarHBondContact O-N 2.86Å; G49-A52 PolarHBondContact O-N 3.38Å; G49-A53 PolarHBondContact O-N 3.4Å; G49-G165 WeakPolarHBondContact CA-O 3.43Å; G49-G165 CarbonylContact O-C 3.58Å; G49-G165 WeakPolarHBondContact O-CA 3.48Å
50L98.7Very high97.3Very high80 Ų8040.2 Ų40.242%0.41922%0.22SC..Hα-helixtrans-70.1-35.3178.4-66.8177.3000112.1F46 A53 T54F46-L50 HydrophobicContact CD1-CD1 4.22Å; F46-L50 HydrophobicContact CD1-CG 4.39Å; F46-L50 VanDerWaalsContact O-CB 3.26Å; F46-L50 WeakPolarHBondContact O-CB 3.19Å; F46-L50 VanDerWaalsContact O-CG 3.24Å; F46-L50 WeakPolarHBondContact O-CG 3.32Å; F46-L50 PolarHBondContact O-N 2.77Å; L50-A53 PolarHBondContact O-N 2.85Å; L50-T54 VanDerWaalsContact O-CB 3.27Å; L50-T54 WeakPolarHBondContact O-CB 3.43Å; L50-T54 PolarHBondContact O-N 2.91Å; L50-T54 PolarHBondContact O-OG1 3.1Å
51A98.6Very high97.6Very high8 Ų843.1 Ų43.17%0.06623%0.23CC..Hα-helixtrans-62-47.6172.100000110.6F23 F26 C47 A53 T54 F55F23-A51 HydrophobicContact CD2-CB 4.2Å; F26-A51 HydrophobicContact CB-CB 4.38Å; C47-A51 WeakPolarHBondContact O-CB 3.45Å; C47-A51 PolarHBondContact O-N 3.07Å; A51-A53 PolarHBondContact O-N 2.73Å; A51-T54 PolarHBondContact O-N 3.16Å; A51-F55 HydrophobicContact CB-CD2 4.42Å; A51-F55 HydrophobicContact CB-CE2 4.37Å; A51-F55 WeakPolarHBondContact O-CD2 3.26Å; A51-F55 PolarHBondContact O-N 3.16Å
52A98.5Very high97.8Very high1 Ų146.3 Ų46.31%0.00825%0.246CC..Hα-helixtrans-57.3-51.2174.800000111.3F23 F48 G49 T54 F55 I56 I67 V168F23-A52 HydrophobicContact CD2-CB 4.31Å; F23-A52 HydrophobicContact CE2-CB 4.07Å; F48-A52 WeakPolarHBondContact O-CB 3.26Å; F48-A52 PolarHBondContact O-N 2.99Å; G49-A52 PolarHBondContact O-N 3.38Å; A52-T54 VanDerWaalsContact C-N 3.34Å; A52-T54 PolarHBondContact O-N 3.2Å; A52-F55 PolarHBondContact O-N 3.31Å; A52-I56 HydrophobicContact CB-CD1 4.41Å; A52-I56 WeakPolarHBondContact O-CB 3.5Å; A52-I56 WeakPolarHBondContact O-CD1 3.29Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 3.26Å; A52-I67 HydrophobicContact CB-CD1 4.39Å; A52-V168 HydrophobicContact CB-CB 4.34Å; A52-V168 HydrophobicContact CB-CG2 4Å
53A98.6Very high97.8Very high10 Ų1042.3 Ų42.38%0.08323%0.226CC..Hα-helixtrans-56.6-46.7177.300000112.6G49 L50 A51 Q57 A161 L162G49-A53 PolarHBondContact O-N 3.4Å; L50-A53 PolarHBondContact O-N 2.85Å; A51-A53 PolarHBondContact O-N 2.73Å; A53-Q57 WeakPolarHBondContact O-CB 3.12Å; A53-Q57 PolarHBondContact O-N 3.41Å; A53-A161 WeakPolarHBondContact CA-O 3.49Å; A53-A161 WeakPolarHBondContact CB-O 3.5Å; A53-A161 WeakPolarHBondContact O-CB 3.43Å; A53-L162 HydrophobicContact CB-CD1 4.27Å
54T98.7Very high97.8Very high77 Ų7739.4 Ų39.447%0.47222%0.223SC..Hα-helixtrans-63.3-49.5-176.6-59.80000111.4L50 A51 A52 Q57 S58L50-T54 VanDerWaalsContact O-CB 3.27Å; L50-T54 WeakPolarHBondContact O-CB 3.43Å; L50-T54 PolarHBondContact O-N 2.91Å; L50-T54 PolarHBondContact O-OG1 3.1Å; A51-T54 PolarHBondContact O-N 3.16Å; A52-T54 VanDerWaalsContact C-N 3.34Å; A52-T54 PolarHBondContact O-N 3.2Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-S58 WeakPolarHBondContact O-CB 3.38Å; T54-S58 PolarHBondContact O-N 3.24Å; T54-S58 PolarHBondContact O-OG 3.37Å
55F98.3Very high97.8Very high19 Ų1939 Ų398%0.08322%0.221CC..Hα-helixtrans-75.4-38.1-176.1-65.6-61.7000111.5Y18 F22 F26 A51 A52 Q57 S58 I59Y18-F55 HydrophobicContact CE1-CD1 4.24Å; Y18-F55 HydrophobicContact CE1-CE1 4.42Å; F22-F55 HydrophobicContact CB-CD1 4.09Å; F22-F55 HydrophobicContact CB-CD2 3.98Å; F22-F55 HydrophobicContact CB-CE1 3.55Å; F22-F55 HydrophobicContact CB-CE2 3.45Å; F22-F55 VanDerWaalsContact CB-CE2 3.45Å; F22-F55 HydrophobicContact CB-CG 4.32Å; F22-F55 HydrophobicContact CB-CZ 3.24Å; F22-F55 HydrophobicContact CD1-CZ 4.36Å; F22-F55 HydrophobicContact CD2-CE1 4.21Å; F22-F55 AromaticContact CG-CE1 3.91Å; F22-F55 HydrophobicContact CG-CE1 3.91Å; F22-F55 AromaticContact CG-CZ 3.86Å; F22-F55 HydrophobicContact CG-CZ 3.86Å; F26-F55 AromaticContact CD2-CE2 3.82Å; F26-F55 HydrophobicContact CD2-CE2 3.82Å; F26-F55 AromaticContact CD2-CZ 3.96Å; F26-F55 HydrophobicContact CD2-CZ 3.96Å; F26-F55 HydrophobicContact CE2-CE2 4.17Å; F26-F55 AromaticContact CE2-CZ 3.8Å; F26-F55 HydrophobicContact CE2-CZ 3.8Å; A51-F55 HydrophobicContact CB-CD2 4.42Å; A51-F55 HydrophobicContact CB-CE2 4.37Å; A51-F55 WeakPolarHBondContact O-CD2 3.26Å; A51-F55 PolarHBondContact O-N 3.16Å; A52-F55 PolarHBondContact O-N 3.31Å; F55-Q57 VanDerWaalsContact C-N 3.29Å; F55-Q57 PolarHBondContact O-N 3.34Å; F55-S58 WeakPolarHBondContact O-CB 3.4Å; F55-S58 PolarHBondContact O-N 3.39Å; F55-I59 WeakPolarHBondContact O-CG1 3.42Å; F55-I59 PolarHBondContact O-N 3.46Å
56I98.2Very high97.8Very high19 Ų1939.5 Ų39.510%0.09722%0.224CC..Hα-helixtrans-59.3-41.9171.5-66.1171.7000110.7A52 S58 G60 G65 I67 A161 I164A52-I56 HydrophobicContact CB-CD1 4.41Å; A52-I56 WeakPolarHBondContact O-CB 3.5Å; A52-I56 WeakPolarHBondContact O-CD1 3.29Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 3.26Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 3.26Å; I56-G60 WeakPolarHBondContact O-CA 3.29Å; I56-G60 PolarHBondContact O-N 3.12Å; I56-G65 WeakPolarHBondContact CG1-O 3.44Å; I56-I67 HydrophobicContact CD1-CD1 4.22Å; I56-I67 HydrophobicContact CG1-CD1 3.96Å; I56-I67 HydrophobicContact CG1-CG1 4.45Å; I56-A161 HydrophobicContact CB-CB 4.12Å; I56-A161 HydrophobicContact CG2-CB 3.83Å; I56-I164 HydrophobicContact CD1-CB 3.97Å; I56-I164 HydrophobicContact CD1-CD1 4.34Å; I56-I164 HydrophobicContact CD1-CG2 3.39Å; I56-I164 HydrophobicContact CG2-CD1 4.27Å
57Q98.1Very high97.8Very high113 Ų11335.7 Ų35.753%0.52821%0.207SC..Hα-helixtrans-63.2-36.4175.4-170.261.166.900111.9A53 T54 F55 S159 A161A53-Q57 WeakPolarHBondContact O-CB 3.12Å; A53-Q57 PolarHBondContact O-N 3.41Å; T54-Q57 PolarHBondContact O-N 2.93Å; F55-Q57 VanDerWaalsContact C-N 3.29Å; F55-Q57 PolarHBondContact O-N 3.34Å; Q57-S159 PolarHBondContact OE1-OG 3.19Å; Q57-A161 HydrophobicContact CB-CB 3.69Å; Q57-A161 HydrophobicContact CG-CB 4.46Å
58S98.1Very high97.9Very high58 Ų5834.5 Ų34.541%0.40620%0.199SC..Hα-helixtrans-74.7-40.3-177.3-58.30000113.2T54 F55 I56 H61T54-S58 WeakPolarHBondContact O-CB 3.38Å; T54-S58 PolarHBondContact O-N 3.24Å; T54-S58 PolarHBondContact O-OG 3.37Å; F55-S58 WeakPolarHBondContact O-CB 3.4Å; F55-S58 PolarHBondContact O-N 3.39Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 3.26Å; S58-H61 PolarHBondContact O-CE1 3.04Å
59I97.9Very high97.9Very high9 Ų934.5 Ų34.55%0.04620%0.199CC..Hα-helixtrans-115.6-7-172.368.3160.6000114.4A15 Y18 F55 H61 I62 S63 I67A15-I59 HydrophobicContact CB-CB 4.11Å; A15-I59 HydrophobicContact CB-CD1 4.31Å; A15-I59 HydrophobicContact CB-CG2 4.31Å; A15-I59 WeakPolarHBondContact O-CD1 3.27Å; Y18-I59 HydrophobicContact CD1-CG2 4.1Å; F55-I59 WeakPolarHBondContact O-CG1 3.42Å; F55-I59 PolarHBondContact O-N 3.46Å; I59-H61 VanDerWaalsContact C-N 3.29Å; I59-H61 PolarHBondContact O-N 3.42Å; I59-I62 WeakPolarHBondContact O-CA 3.48Å; I59-I62 WeakPolarHBondContact O-CB 3.5Å; I59-I62 PolarHBondContact O-N 3.33Å; I59-S63 PolarHBondContact O-N 3.47Å; I59-I67 HydrophobicContact CD1-CG2 3.88Å
60G95.8Very high97.9Very high21 Ų2134.5 Ų34.522%0.21620%0.198CC..Hα-helixtrans-57.9-39.8-173.500000113.2I56 I62 G64I56-G60 WeakPolarHBondContact O-CA 3.29Å; I56-G60 PolarHBondContact O-N 3.12Å; G60-I62 PolarHBondContact O-N 3.3Å; G60-G64 VanDerWaalsContact O-CA 3.22Å; G60-G64 WeakPolarHBondContact O-CA 3.21Å; G60-G64 PolarHBondContact O-N 3.5Å
61H95.3Very high97.9Very high156 Ų15631 Ų3172%0.72218%0.18SC*.Hα-helixtrans-69.9-11.917667.9-80.9000114S58 I59S58-H61 PolarHBondContact O-CE1 3.04Å; I59-H61 VanDerWaalsContact C-N 3.29Å; I59-H61 PolarHBondContact O-N 3.42Å
62I97.5Very high97.9Very high79 Ų7930.6 Ų30.641%0.40518%0.177SC..Hα-helixtrans-97.8-48-179.3-51.2176.2000110.6R11 A15 I59 G60R11-I62 HydrophobicContact CB-CG2 4.32Å; A15-I62 HydrophobicContact CB-CB 4.24Å; A15-I62 HydrophobicContact CB-CG2 3.96Å; I59-I62 WeakPolarHBondContact O-CA 3.48Å; I59-I62 WeakPolarHBondContact O-CB 3.5Å; I59-I62 PolarHBondContact O-N 3.33Å; G60-I62 PolarHBondContact O-N 3.3Å
63S97.1Very high97.9Very high9 Ų933 Ų336%0.06319%0.188CC..Hα-helixtrans-121.1-12.1-172.267.40000115.5A12 E16 I59 G65 Y89A12-S63 WeakPolarHBondContact O-CB 3.3Å; E16-S63 WeakPolarHBondContact OE1-CB 3.29Å; E16-S63 PolarHBondContact OE1-OG 2.78Å; I59-S63 PolarHBondContact O-N 3.47Å; S63-G65 VanDerWaalsContact C-N 3.29Å; S63-G65 PolarHBondContact OG-N 2.91Å; S63-Y89 WeakPolarHBondContact CA-OH 3.45Å; S63-Y89 WeakPolarHBondContact CB-OH 3.4Å; S63-Y89 VanDerWaalsContact O-CE2 3.31Å; S63-Y89 WeakPolarHBondContact O-CE2 3.37Å; S63-Y89 PolarHBondContact O-OH 3.4Å
64G95.9Very high97.9Very high38 Ų3832.6 Ų32.639%0.39218%0.184SC..  trans90-11.9-161.200000113.2G60G60-G64 VanDerWaalsContact O-CA 3.22Å; G60-G64 WeakPolarHBondContact O-CA 3.21Å; G60-G64 PolarHBondContact O-N 3.5Å
65G97Very high97.9Very high4 Ų429.9 Ų29.94%0.04117%0.165CC..  trans60.147175.600000113.3E16 I56 S63E16-G65 WeakPolarHBondContact OE1-CA 3.43Å; E16-G65 PolarHBondContact OE1-N 3.48Å; I56-G65 WeakPolarHBondContact CG1-O 3.44Å; S63-G65 VanDerWaalsContact C-N 3.29Å; S63-G65 PolarHBondContact OG-N 2.91Å
66H98.6Very high97.9Very high11 Ų1130.2 Ų30.25%0.05117%0.168CC..  trans-66.9-44.3-176.4-69.5-164.5000111.4E16 N68 V71 T72 Y75 M81 Y89E16-H66 PolarHBondContact OE1-N 2.84Å; E16-H66 WeakPolarHBondContact OE2-CB 3.3Å; E16-H66 PolarHBondContact OE2-N 3.25Å; H66-N68 VanDerWaalsContact O-CB 3.27Å; H66-N68 WeakPolarHBondContact O-CB 3.13Å; H66-N68 PolarHBondContact O-N 3.4Å; H66-V71 HydrophobicContact CB-CG1 4.22Å; H66-T72 WeakPolarHBondContact CB-OG1 3.48Å; H66-T72 VanDerWaalsContact ND1-CA 3.28Å; H66-T72 WeakPolarHBondContact ND1-CA 3.42Å; H66-T72 PolarHBondContact ND1-OG1 3.5Å; H66-Y75 AromaticContact CE1-CD2 3.32Å; H66-Y75 WeakPolarHBondContact CE1-CD2 3.42Å; H66-Y75 AromaticContact CE1-CG 3.56Å; H66-Y75 AromaticContact NE2-CD2 3.34Å; H66-Y75 VanDerWaalsContact NE2-CD2 3.34Å; H66-Y75 WeakPolarHBondContact NE2-CD2 3.32Å; H66-Y75 AromaticContact NE2-CE2 3.57Å; H66-Y75 AromaticContact NE2-CG 3.7Å; H66-M81 WeakPolarHBondContact CE1-CE 3.34Å; H66-Y89 HydrophobicContact CB-CD2 4.47Å; H66-Y89 AromaticContact ND1-CD2 3.76Å
67I98.5Very high97.8Very high6 Ų632.1 Ų32.13%0.03118%0.177CC..  trans48.516.8178.663.4169.7000114.8E16 T20 F23 A52 I56 I59 N184E16-I67 WeakPolarHBondContact OE2-CA 3.39Å; E16-I67 PolarHBondContact OE2-N 2.82Å; T20-I67 VanDerWaalsContact OG1-CA 3.29Å; T20-I67 WeakPolarHBondContact OG1-CA 3.24Å; T20-I67 PolarHBondContact OG1-O 2.91Å; F23-I67 HydrophobicContact CB-CD1 4.44Å; F23-I67 HydrophobicContact CD2-CD1 4.2Å; F23-I67 HydrophobicContact CG-CD1 4.26Å; A52-I67 HydrophobicContact CB-CD1 4.39Å; I56-I67 HydrophobicContact CD1-CD1 4.22Å; I56-I67 HydrophobicContact CG1-CD1 3.96Å; I56-I67 HydrophobicContact CG1-CG1 4.45Å; I59-I67 HydrophobicContact CD1-CG2 3.88Å; I67-N184 PolarHBondContact O-ND2 3.43Å
68N98.8Very high97.6Very high6 Ų627 Ų273%0.03216%0.155CC..SBendtrans-158.5124-167-177.4-15.2000110.7H66 A70 V71 T72 Q93 M183 N184 P185H66-N68 VanDerWaalsContact O-CB 3.27Å; H66-N68 WeakPolarHBondContact O-CB 3.13Å; H66-N68 PolarHBondContact O-N 3.4Å; N68-A70 VanDerWaalsContact C-N 3.3Å; N68-A70 PolarHBondContact O-N 2.89Å; N68-A70 WeakPolarHBondContact OD1-CB 3.4Å; N68-A70 PolarHBondContact OD1-N 2.99Å; N68-V71 HydrophobicContact CB-CB 4.01Å; N68-V71 HydrophobicContact CB-CG2 3.82Å; N68-V71 PolarHBondContact O-N 2.91Å; N68-T72 PolarHBondContact O-N 2.97Å; N68-T72 PolarHBondContact O-OG1 3.41Å; N68-Q93 PolarHBondContact O-OE1 3.12Å; N68-M183 PolarHBondContact ND2-O 3.38Å; N68-N184 HydrophobicContact CB-CB 4.34Å; N68-N184 WeakPolarHBondContact CB-ND2 3.28Å; N68-N184 VanDerWaalsContact CG-CG 3.44Å; N68-N184 WeakPolarHBondContact ND2-CB 3.27Å; N68-N184 WeakPolarHBondContact OD1-CA 3.4Å; N68-P185 VanDerWaalsContact OD1-CD 3.31Å; N68-P185 WeakPolarHBondContact OD1-CD 3.02Å
69P98.9Very high97.4Very high0 Ų024.6 Ų24.60%014%0.138CC..Hα-helixtrans-58.9-36.6176-29.837.4000114.3T72 F73 I90 Q93 N184 P185 A186P69-T72 PolarHBondContact O-N 2.93Å; P69-F73 VanDerWaalsContact O-CB 3.29Å; P69-F73 WeakPolarHBondContact O-CB 3.49Å; P69-F73 PolarHBondContact O-N 2.96Å; P69-I90 HydrophobicContact CB-CG1 4.07Å; P69-I90 HydrophobicContact CB-CG2 4.18Å; P69-I90 HydrophobicContact CG-CG2 4.33Å; P69-Q93 VanDerWaalsContact CA-OE1 3.28Å; P69-Q93 HydrophobicContact CG-CB 4.37Å; P69-N184 VanDerWaalsContact CD-OD1 3.31Å; P69-N184 WeakPolarHBondContact CD-OD1 3.44Å; P69-P185 HydrophobicContact CB-CB 4.17Å; P69-P185 HydrophobicContact CB-CG 4.12Å; P69-P185 HydrophobicContact CG-CB 4.22Å; P69-A186 HydrophobicContact CG-CB 3.72Å
70A98.9Very high97.2Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-69-37.2179.200000112.4N68 A74 T138 P185 P208 M209N68-A70 VanDerWaalsContact C-N 3.3Å; N68-A70 PolarHBondContact O-N 2.89Å; N68-A70 WeakPolarHBondContact OD1-CB 3.4Å; N68-A70 PolarHBondContact OD1-N 2.99Å; A70-A74 WeakPolarHBondContact O-CB 3.08Å; A70-A74 PolarHBondContact O-N 3.35Å; A70-T138 HydrophobicContact CB-CG2 3.95Å; A70-P185 HydrophobicContact CB-CG 4.3Å; A70-P208 HydrophobicContact CB-CB 3.72Å; A70-M209 HydrophobicContact CB-SD 4.35Å
71V98.8Very high97.2Very high7 Ų726.5 Ų26.54%0.04214%0.141CC..Hα-helixtrans-67.9-43.9173.1175.90000110H66 N68 F73 A74 Y75 L141 V142 V145H66-V71 HydrophobicContact CB-CG1 4.22Å; N68-V71 HydrophobicContact CB-CB 4.01Å; N68-V71 HydrophobicContact CB-CG2 3.82Å; N68-V71 PolarHBondContact O-N 2.91Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 3.15Å; V71-A74 WeakPolarHBondContact O-CB 3.46Å; V71-A74 PolarHBondContact O-N 3Å; V71-A74 VanDerWaalsContact O-N 3.09Å; V71-Y75 HydrophobicContact CG1-CD2 3.91Å; V71-Y75 HydrophobicContact CG1-CE2 3.79Å; V71-Y75 WeakPolarHBondContact O-CD2 3.3Å; V71-Y75 PolarHBondContact O-N 2.95Å; V71-L141 HydrophobicContact CG2-CD2 4.35Å; V71-V142 HydrophobicContact CG2-CG2 4.26Å; V71-V145 HydrophobicContact CG1-CG1 4.17Å
72T98.8Very high97.2Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-59.8-42.6175.9-55.10000112.4H66 N68 P69 A74 Y75 L76 M81 A86 Y89 I90 Q93H66-T72 WeakPolarHBondContact CB-OG1 3.48Å; H66-T72 VanDerWaalsContact ND1-CA 3.28Å; H66-T72 WeakPolarHBondContact ND1-CA 3.42Å; H66-T72 PolarHBondContact ND1-OG1 3.5Å; N68-T72 PolarHBondContact O-N 2.97Å; N68-T72 PolarHBondContact O-OG1 3.41Å; P69-T72 PolarHBondContact O-N 2.93Å; T72-A74 VanDerWaalsContact C-N 3.34Å; T72-Y75 PolarHBondContact O-N 3.07Å; T72-L76 PolarHBondContact O-N 2.76Å; T72-M81 HydrophobicContact CG2-SD 4.12Å; T72-A86 HydrophobicContact CG2-CB 3.92Å; T72-Y89 HydrophobicContact CG2-CD2 4.28Å; T72-Y89 HydrophobicContact CG2-CG 4.43Å; T72-I90 HydrophobicContact CG2-CD1 4.49Å; T72-I90 HydrophobicContact CG2-CG1 4.07Å; T72-Q93 PolarHBondContact OG1-NE2 3.47Å; T72-Q93 PolarHBondContact OG1-OE1 3.22Å
73F98.7Very high97.2Very high52 Ų5221.4 Ų21.423%0.22812%0.118CC..Hα-helixtrans-64.1-39.8174.2-176.6-115000112P69 V71 Y75 L76 I77 M209 A213P69-F73 VanDerWaalsContact O-CB 3.29Å; P69-F73 WeakPolarHBondContact O-CB 3.49Å; P69-F73 PolarHBondContact O-N 2.96Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 3.15Å; F73-Y75 PolarHBondContact O-N 2.73Å; F73-L76 HydrophobicContact CD2-CD2 4.41Å; F73-L76 WeakPolarHBondContact O-CB 3.43Å; F73-L76 PolarHBondContact O-N 3.46Å; F73-L76 VanDerWaalsContact O-N 3.14Å; F73-I77 HydrophobicContact CD1-CG1 4.24Å; F73-I77 HydrophobicContact CE1-CD1 4.28Å; F73-I77 HydrophobicContact CE1-CG1 3.9Å; F73-I77 HydrophobicContact CE2-CD1 4.08Å; F73-I77 HydrophobicContact CE2-CG1 4.17Å; F73-I77 HydrophobicContact CZ-CD1 3.77Å; F73-I77 HydrophobicContact CZ-CG1 3.86Å; F73-I77 WeakPolarHBondContact O-CG1 3.41Å; F73-I77 PolarHBondContact O-N 3.49Å; F73-M209 HydrophobicContact CB-CE 3.57Å; F73-M209 HydrophobicContact CB-SD 3.69Å; F73-M209 HydrophobicContact CD1-CB 4.3Å; F73-M209 HydrophobicContact CD1-CE 3.5Å; F73-M209 HydrophobicContact CD1-SD 3.94Å; F73-M209 HydrophobicContact CD2-CE 3.55Å; F73-M209 HydrophobicContact CE1-CB 4.48Å; F73-M209 HydrophobicContact CE1-CE 3.99Å; F73-M209 HydrophobicContact CE2-CE 4.05Å; F73-M209 HydrophobicContact CG-CE 3.24Å; F73-M209 HydrophobicContact CG-SD 3.89Å; F73-M209 HydrophobicContact CZ-CE 4.25Å; F73-A213 HydrophobicContact CE1-CB 4.04Å
74A98.5Very high97.1Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-58.6-46.717400000112A70 V71 T72 L76 I77 G78 V142 F146 G212 A216A70-A74 WeakPolarHBondContact O-CB 3.08Å; A70-A74 PolarHBondContact O-N 3.35Å; V71-A74 WeakPolarHBondContact O-CB 3.46Å; V71-A74 PolarHBondContact O-N 3Å; V71-A74 VanDerWaalsContact O-N 3.09Å; T72-A74 VanDerWaalsContact C-N 3.34Å; A74-L76 VanDerWaalsContact C-N 3.27Å; A74-L76 PolarHBondContact O-N 2.86Å; A74-I77 PolarHBondContact O-N 3.42Å; A74-G78 PolarHBondContact O-N 3.02Å; A74-V142 HydrophobicContact CB-CB 4.42Å; A74-V142 HydrophobicContact CB-CG1 3.54Å; A74-V142 HydrophobicContact CB-CG2 3.97Å; A74-F146 HydrophobicContact CB-CE1 3.99Å; A74-F146 HydrophobicContact CB-CZ 4.13Å; A74-G212 WeakPolarHBondContact CB-O 3.27Å; A74-A216 HydrophobicContact CB-CB 4.11Å; A74-A216 WeakPolarHBondContact O-CB 3.44Å
75Y98.1Very high97.1Very high20 Ų2023 Ų238%0.07811%0.112CC..Hα-helixtrans-61.7-33.9174.8-84.6-86.1000112.9H66 V71 T72 F73 S79 Q80 M81 V145 F146 T149H66-Y75 AromaticContact CE1-CD2 3.32Å; H66-Y75 WeakPolarHBondContact CE1-CD2 3.42Å; H66-Y75 AromaticContact CE1-CG 3.56Å; H66-Y75 AromaticContact NE2-CD2 3.34Å; H66-Y75 VanDerWaalsContact NE2-CD2 3.34Å; H66-Y75 WeakPolarHBondContact NE2-CD2 3.32Å; H66-Y75 AromaticContact NE2-CE2 3.57Å; H66-Y75 AromaticContact NE2-CG 3.7Å; V71-Y75 HydrophobicContact CG1-CD2 3.91Å; V71-Y75 HydrophobicContact CG1-CE2 3.79Å; V71-Y75 WeakPolarHBondContact O-CD2 3.3Å; V71-Y75 PolarHBondContact O-N 2.95Å; T72-Y75 PolarHBondContact O-N 3.07Å; F73-Y75 PolarHBondContact O-N 2.73Å; Y75-S79 PolarHBondContact O-N 2.91Å; Y75-Q80 HydrophobicContact CD1-CB 3.77Å; Y75-Q80 PolarHBondContact O-N 3.06Å; Y75-M81 PolarHBondContact O-N 3.32Å; Y75-V145 HydrophobicContact CE2-CG1 3.69Å; Y75-V145 VanDerWaalsContact OH-CG1 3.3Å; Y75-V145 WeakPolarHBondContact OH-CG1 3.33Å; Y75-F146 HydrophobicContact CD2-CE1 4.05Å; Y75-F146 HydrophobicContact CE1-CE1 4.47Å; Y75-F146 HydrophobicContact CE2-CD1 4.48Å; Y75-F146 HydrophobicContact CE2-CE1 4.05Å; Y75-F146 HydrophobicContact CG-CE1 4.28Å; Y75-T149 PolarHBondContact OH-OG1 2.86Å
76L97.5Very high97.2Very high27 Ų2723 Ų2314%0.14111%0.111CC..Hα-helixtrans-65.4-47.5173.2-175.666.8000111.2T72 F73 A74 G78 S79 M83 A86 L237T72-L76 PolarHBondContact O-N 2.76Å; F73-L76 HydrophobicContact CD2-CD2 4.41Å; F73-L76 WeakPolarHBondContact O-CB 3.43Å; F73-L76 PolarHBondContact O-N 3.46Å; F73-L76 VanDerWaalsContact O-N 3.14Å; A74-L76 VanDerWaalsContact C-N 3.27Å; A74-L76 PolarHBondContact O-N 2.86Å; L76-G78 PolarHBondContact O-N 3.46Å; L76-S79 WeakPolarHBondContact O-CA 3.09Å; L76-S79 PolarHBondContact O-N 3.28Å; L76-M83 HydrophobicContact CD1-CB 4.12Å; L76-A86 HydrophobicContact CB-CB 4.22Å; L76-A86 HydrophobicContact CD1-CB 4.08Å; L76-A86 HydrophobicContact CD2-CB 4.11Å; L76-A86 HydrophobicContact CG-CB 4.38Å; L76-L237 HydrophobicContact CD1-CD2 3.53Å; L76-L237 HydrophobicContact CG-CD2 4.26Å; L76-L237 WeakPolarHBondContact O-CD2 3.41Å
77I96.7Very high97.2Very high58 Ų5828.3 Ų28.330%0.29713%0.134SC..Hα-helixtrans-62.9-41177.2-66.1-61.7000111.6F73 A74 S79 A213 A216 L217F73-I77 HydrophobicContact CD1-CG1 4.24Å; F73-I77 HydrophobicContact CE1-CD1 4.28Å; F73-I77 HydrophobicContact CE1-CG1 3.9Å; F73-I77 HydrophobicContact CE2-CD1 4.08Å; F73-I77 HydrophobicContact CE2-CG1 4.17Å; F73-I77 HydrophobicContact CZ-CD1 3.77Å; F73-I77 HydrophobicContact CZ-CG1 3.86Å; F73-I77 WeakPolarHBondContact O-CG1 3.41Å; F73-I77 PolarHBondContact O-N 3.49Å; A74-I77 PolarHBondContact O-N 3.42Å; I77-S79 PolarHBondContact O-N 2.81Å; I77-A213 HydrophobicContact CG1-CB 4.4Å; I77-A216 HydrophobicContact CG2-CB 4.34Å; I77-L217 HydrophobicContact CG2-CD2 3.96Å; I77-L217 HydrophobicContact CG2-CG 4.13Å
78G94.6Very high97.2Very high5 Ų530.1 Ų30.15%0.05214%0.142CC..THydrogen-bonded Turntrans-65.9-2.6172.800000114.1A74 L76 Q80 D220A74-G78 PolarHBondContact O-N 3.02Å; L76-G78 PolarHBondContact O-N 3.46Å; G78-Q80 WeakPolarHBondContact O-CG 3.22Å; G78-Q80 PolarHBondContact O-N 3Å; G78-D220 WeakPolarHBondContact CA-OD2 3.46Å
79S94.4Very high97.2Very high8 Ų830 Ų306%0.05614%0.141CC..THydrogen-bonded Turntrans53.640.6-175.3-51.70000111.7Y75 L76 I77 R228 T236Y75-S79 PolarHBondContact O-N 2.91Å; L76-S79 WeakPolarHBondContact O-CA 3.09Å; L76-S79 PolarHBondContact O-N 3.28Å; I77-S79 PolarHBondContact O-N 2.81Å; S79-R228 PolarHBondContact O-NH1 3.34Å; S79-T236 VanDerWaalsContact O-CG2 3.26Å; S79-T236 WeakPolarHBondContact O-CG2 3.39Å
80Q93.4Very high97.2Very high54 Ų5432.1 Ų32.125%0.25215%0.152SC..  trans-108.7-2.4179.2-58.8-170.324.500112Y75 G78 D220Y75-Q80 HydrophobicContact CD1-CB 3.77Å; Y75-Q80 PolarHBondContact O-N 3.06Å; G78-Q80 WeakPolarHBondContact O-CG 3.22Å; G78-Q80 PolarHBondContact O-N 3Å; Q80-D220 PolarHBondContact NE2-OD1 3.14Å; Q80-D220 PolarHBondContact NE2-OD2 3.06Å; Q80-D220 VanDerWaalsContact NE2-OD2 3.15Å
81M94.5Very high97.2Very high16 Ų1635.1 Ų35.18%0.07917%0.168CC..SBendtrans-145.1148179.4179.1166-64.900110.6H66 T72 Y75 R85 A86 Y89H66-M81 WeakPolarHBondContact CE1-CE 3.34Å; T72-M81 HydrophobicContact CG2-SD 4.12Å; Y75-M81 PolarHBondContact O-N 3.32Å; M81-R85 HydrophobicContact CE-CG 4.17Å; M81-R85 HydrophobicContact CG-CB 3.86Å; M81-R85 HydrophobicContact CG-CG 3.98Å; M81-R85 HydrophobicContact SD-CB 4.12Å; M81-R85 HydrophobicContact SD-CG 3.7Å; M81-A86 HydrophobicContact CG-CB 4.41Å; M81-A86 HydrophobicContact SD-CB 4.22Å; M81-Y89 HydrophobicContact CE-CD2 4.05Å; M81-Y89 HydrophobicContact CE-CE2 3.69Å; M81-Y89 HydrophobicContact SD-CD2 4.12Å; M81-Y89 HydrophobicContact SD-CE2 4.31Å
82S96.4Very high97.2Very high5 Ų535.1 Ų35.14%0.03517%0.168CC..  trans-69.7149.6173.574.20000111.4E3 F84 R85 A86 T236E3-S82 PolarHBondContact OE1-OG 2.88Å; E3-S82 WeakPolarHBondContact OE2-CB 3.31Å; E3-S82 PolarHBondContact OE2-OG 3.15Å; S82-F84 PolarHBondContact O-N 2.9Å; S82-R85 PolarHBondContact O-N 2.72Å; S82-R85 VanDerWaalsContact OG-CB 3.24Å; S82-R85 WeakPolarHBondContact OG-CB 3.36Å; S82-R85 PolarHBondContact OG-N 2.91Å; S82-A86 WeakPolarHBondContact O-CB 3.38Å; S82-A86 PolarHBondContact O-N 3.36Å; S82-T236 VanDerWaalsContact CA-O 3.28Å; S82-T236 WeakPolarHBondContact CA-O 3.47Å; S82-T236 WeakPolarHBondContact CB-O 3.3Å
83M96.4Very high97.2Very high124 Ų12435.1 Ų35.161%0.61117%0.168SC*.Hα-helixtrans-59.5-36.7174.5-175.5179.9-74.100111.5L76 A86 F87 L237L76-M83 HydrophobicContact CD1-CB 4.12Å; M83-A86 PolarHBondContact O-N 3.44Å; M83-F87 WeakPolarHBondContact O-CB 3.38Å; M83-F87 PolarHBondContact O-N 2.86Å; M83-L237 PolarHBondContact N-O 3.04Å
84F95.5Very high97.2Very high36 Ų3633.4 Ų33.416%0.15816%0.163CC..Hα-helixtrans-62.3-48177.3-173.3-106.2000111.8M1 E3 F4 F9 S82 F87 F88M1-F84 HydrophobicContact CE-CD2 3.26Å; M1-F84 HydrophobicContact CE-CE2 3.26Å; M1-F84 HydrophobicContact CE-CG 4.03Å; M1-F84 HydrophobicContact CE-CZ 4.06Å; M1-F84 HydrophobicContact SD-CB 4.15Å; M1-F84 HydrophobicContact SD-CD2 3.7Å; M1-F84 HydrophobicContact SD-CE2 4.22Å; M1-F84 HydrophobicContact SD-CG 3.89Å; E3-F84 HydrophobicContact CB-CD1 4.12Å; E3-F84 HydrophobicContact CB-CE1 4.4Å; F4-F84 HydrophobicContact CB-CE1 4.04Å; F4-F84 HydrophobicContact CB-CZ 4.03Å; F4-F84 HydrophobicContact CD2-CE1 4.45Å; F4-F84 AromaticContact CD2-CZ 3.89Å; F4-F84 HydrophobicContact CD2-CZ 3.89Å; F4-F84 HydrophobicContact CG-CZ 4.42Å; F9-F84 HydrophobicContact CE1-CE1 4.05Å; F9-F84 AromaticContact CE2-CD1 3.95Å; F9-F84 HydrophobicContact CE2-CD1 3.95Å; F9-F84 HydrophobicContact CE2-CE1 4.03Å; F9-F84 AromaticContact CZ-CD1 3.88Å; F9-F84 HydrophobicContact CZ-CD1 3.88Å; F9-F84 AromaticContact CZ-CE1 3.55Å; F9-F84 HydrophobicContact CZ-CE1 3.55Å; F9-F84 HydrophobicContact CZ-CZ 4.5Å; S82-F84 PolarHBondContact O-N 2.9Å; F84-F87 PolarHBondContact O-N 3.49Å; F84-F88 HydrophobicContact CD1-CD2 4.45Å; F84-F88 HydrophobicContact CD2-CD2 4.37Å; F84-F88 HydrophobicContact CD2-CE2 4.11Å; F84-F88 HydrophobicContact CE1-CD2 4.08Å; F84-F88 AromaticContact CE1-CE2 3.98Å; F84-F88 HydrophobicContact CE1-CE2 3.98Å; F84-F88 HydrophobicContact CE2-CD2 4.03Å; F84-F88 AromaticContact CE2-CE2 3.39Å; F84-F88 HydrophobicContact CE2-CE2 3.39Å; F84-F88 HydrophobicContact CE2-CZ 4.35Å; F84-F88 AromaticContact CZ-CD2 3.86Å; F84-F88 HydrophobicContact CZ-CD2 3.86Å; F84-F88 AromaticContact CZ-CE2 3.3Å; F84-F88 HydrophobicContact CZ-CE2 3.3Å; F84-F88 HydrophobicContact CZ-CZ 4.06Å; F84-F88 WeakPolarHBondContact O-CD2 3.3Å; F84-F88 PolarHBondContact O-N 3.02Å
85R97Very high97.2Very high45 Ų4538 Ų3817%0.1719%0.186CC..Hα-helixtrans-65-43.8176.8-176.3179.4-61.1-99-2.3112.3E3 F9 M81 S82 F87 F88 Y89E3-R85 IonicContact OE1-CZ 3.6Å; E3-R85 IonicContact OE1-NE 3.32Å; E3-R85 PolarHBondContact OE1-NE 3.46Å; E3-R85 IonicContact OE1-NH2 2.97Å; E3-R85 PolarHBondContact OE1-NH2 2.97Å; F9-R85 HydrophobicContact CE2-CB 4.04Å; F9-R85 HydrophobicContact CE2-CG 4.17Å; M81-R85 HydrophobicContact CE-CG 4.17Å; M81-R85 HydrophobicContact CG-CB 3.86Å; M81-R85 HydrophobicContact CG-CG 3.98Å; M81-R85 HydrophobicContact SD-CB 4.12Å; M81-R85 HydrophobicContact SD-CG 3.7Å; S82-R85 PolarHBondContact O-N 2.72Å; S82-R85 VanDerWaalsContact OG-CB 3.24Å; S82-R85 WeakPolarHBondContact OG-CB 3.36Å; S82-R85 PolarHBondContact OG-N 2.91Å; R85-F87 VanDerWaalsContact C-N 3.27Å; R85-F87 PolarHBondContact O-N 3Å; R85-F88 PolarHBondContact O-N 3.32Å; R85-Y89 HydrophobicContact CG-CD1 3.8Å; R85-Y89 HydrophobicContact CG-CE1 3.56Å; R85-Y89 HydrophobicContact CG-CG 4.41Å; R85-Y89 WeakPolarHBondContact O-CB 3.44Å; R85-Y89 WeakPolarHBondContact O-CD1 3.44Å; R85-Y89 PolarHBondContact O-N 3.48Å
86A98.2Very high97.2Very high2 Ų237 Ų372%0.01718%0.182CC..Hα-helixtrans-57.1-42.717800000111.7T72 L76 M81 S82 M83 Y89 I90T72-A86 HydrophobicContact CG2-CB 3.92Å; L76-A86 HydrophobicContact CB-CB 4.22Å; L76-A86 HydrophobicContact CD1-CB 4.08Å; L76-A86 HydrophobicContact CD2-CB 4.11Å; L76-A86 HydrophobicContact CG-CB 4.38Å; M81-A86 HydrophobicContact CG-CB 4.41Å; M81-A86 HydrophobicContact SD-CB 4.22Å; S82-A86 WeakPolarHBondContact O-CB 3.38Å; S82-A86 PolarHBondContact O-N 3.36Å; M83-A86 PolarHBondContact O-N 3.44Å; A86-Y89 PolarHBondContact O-N 3.4Å; A86-I90 VanDerWaalsContact O-CG1 3.29Å; A86-I90 WeakPolarHBondContact O-CG1 3.36Å; A86-I90 PolarHBondContact O-N 3.31Å
87F98.1Very high97.3Very high124 Ų12435.7 Ų35.754%0.54418%0.176SC..Hα-helixtrans-60.4-49.8176.7176.5-105.9000112.7M83 F84 R85 Y89 I90 I91M83-F87 WeakPolarHBondContact O-CB 3.38Å; M83-F87 PolarHBondContact O-N 2.86Å; F84-F87 PolarHBondContact O-N 3.49Å; R85-F87 VanDerWaalsContact C-N 3.27Å; R85-F87 PolarHBondContact O-N 3Å; F87-Y89 VanDerWaalsContact C-N 3.34Å; F87-Y89 PolarHBondContact O-N 3.49Å; F87-I90 PolarHBondContact O-N 2.66Å; F87-I91 HydrophobicContact CD1-CD1 3.85Å; F87-I91 HydrophobicContact CD2-CD1 4.26Å; F87-I91 HydrophobicContact CE1-CD1 3.35Å; F87-I91 HydrophobicContact CE2-CD1 3.81Å; F87-I91 HydrophobicContact CG-CD1 4.29Å; F87-I91 HydrophobicContact CZ-CD1 3.35Å; F87-I91 WeakPolarHBondContact O-CG1 3.45Å; F87-I91 PolarHBondContact O-N 3.37Å; F87-I91 VanDerWaalsContact O-N 3.12Å
88F98.4Very high97.4Very high44 Ų4434.9 Ų34.919%0.19317%0.172CC..Hα-helixtrans-67.2-34.1179-85.7-91.1000112.9F9 W10 V13 F84 R85 A92F9-F88 HydrophobicContact CE1-CG 4.28Å; F9-F88 HydrophobicContact CZ-CB 3.83Å; F9-F88 HydrophobicContact CZ-CD1 4.49Å; F9-F88 AromaticContact CZ-CD2 3.92Å; F9-F88 HydrophobicContact CZ-CD2 3.92Å; F9-F88 AromaticContact CZ-CG 3.81Å; F9-F88 HydrophobicContact CZ-CG 3.81Å; W10-F88 HydrophobicContact CH2-CD1 4.19Å; W10-F88 AromaticContact CH2-CE1 3.69Å; W10-F88 HydrophobicContact CH2-CE1 3.69Å; W10-F88 HydrophobicContact CH2-CZ 4.31Å; W10-F88 AromaticContact CZ3-CD1 3.99Å; W10-F88 HydrophobicContact CZ3-CD1 3.99Å; W10-F88 AromaticContact CZ3-CE1 3.9Å; W10-F88 HydrophobicContact CZ3-CE1 3.9Å; V13-F88 HydrophobicContact CG1-CB 4.46Å; V13-F88 HydrophobicContact CG2-CB 3.88Å; F84-F88 HydrophobicContact CD1-CD2 4.45Å; F84-F88 HydrophobicContact CD2-CD2 4.37Å; F84-F88 HydrophobicContact CD2-CE2 4.11Å; F84-F88 HydrophobicContact CE1-CD2 4.08Å; F84-F88 AromaticContact CE1-CE2 3.98Å; F84-F88 HydrophobicContact CE1-CE2 3.98Å; F84-F88 HydrophobicContact CE2-CD2 4.03Å; F84-F88 AromaticContact CE2-CE2 3.39Å; F84-F88 HydrophobicContact CE2-CE2 3.39Å; F84-F88 HydrophobicContact CE2-CZ 4.35Å; F84-F88 AromaticContact CZ-CD2 3.86Å; F84-F88 HydrophobicContact CZ-CD2 3.86Å; F84-F88 AromaticContact CZ-CE2 3.3Å; F84-F88 HydrophobicContact CZ-CE2 3.3Å; F84-F88 HydrophobicContact CZ-CZ 4.06Å; F84-F88 WeakPolarHBondContact O-CD2 3.3Å; F84-F88 PolarHBondContact O-N 3.02Å; R85-F88 PolarHBondContact O-N 3.32Å; F88-A92 VanDerWaalsContact O-CB 3.26Å; F88-A92 WeakPolarHBondContact O-CB 3.24Å; F88-A92 PolarHBondContact O-N 3.04Å
89Y98.8Very high97.6Very high3 Ų336 Ų361%0.01218%0.181CC..Hα-helixtrans-62.8-48.6173.9-87.732.9000111.1A12 V13 E16 S63 H66 T72 M81 R85 A86 F87 I91 A92 Q93A12-Y89 HydrophobicContact CB-CE1 4.16Å; A12-Y89 WeakPolarHBondContact CB-OH 3.2Å; V13-Y89 HydrophobicContact CG2-CD1 4.26Å; V13-Y89 HydrophobicContact CG2-CE1 4.3Å; E16-Y89 HydrophobicContact CG-CD1 4Å; E16-Y89 HydrophobicContact CG-CD2 3.54Å; E16-Y89 HydrophobicContact CG-CE1 4.07Å; E16-Y89 HydrophobicContact CG-CE2 3.61Å; E16-Y89 HydrophobicContact CG-CG 3.75Å; S63-Y89 WeakPolarHBondContact CA-OH 3.45Å; S63-Y89 WeakPolarHBondContact CB-OH 3.4Å; S63-Y89 VanDerWaalsContact O-CE2 3.31Å; S63-Y89 WeakPolarHBondContact O-CE2 3.37Å; S63-Y89 PolarHBondContact O-OH 3.4Å; H66-Y89 HydrophobicContact CB-CD2 4.47Å; H66-Y89 AromaticContact ND1-CD2 3.76Å; T72-Y89 HydrophobicContact CG2-CD2 4.28Å; T72-Y89 HydrophobicContact CG2-CG 4.43Å; M81-Y89 HydrophobicContact CE-CD2 4.05Å; M81-Y89 HydrophobicContact CE-CE2 3.69Å; M81-Y89 HydrophobicContact SD-CD2 4.12Å; M81-Y89 HydrophobicContact SD-CE2 4.31Å; R85-Y89 HydrophobicContact CG-CD1 3.8Å; R85-Y89 HydrophobicContact CG-CE1 3.56Å; R85-Y89 HydrophobicContact CG-CG 4.41Å; R85-Y89 WeakPolarHBondContact O-CB 3.44Å; R85-Y89 WeakPolarHBondContact O-CD1 3.44Å; R85-Y89 PolarHBondContact O-N 3.48Å; A86-Y89 PolarHBondContact O-N 3.4Å; F87-Y89 VanDerWaalsContact C-N 3.34Å; F87-Y89 PolarHBondContact O-N 3.49Å; Y89-I91 VanDerWaalsContact C-N 3.32Å; Y89-I91 PolarHBondContact O-N 3.37Å; Y89-A92 PolarHBondContact O-N 3.01Å; Y89-Q93 WeakPolarHBondContact O-CB 3.35Å; Y89-Q93 VanDerWaalsContact O-CD 3.23Å; Y89-Q93 WeakPolarHBondContact O-CG 3.47Å; Y89-Q93 PolarHBondContact O-N 2.85Å
90I98.9Very high97.8Very high44 Ų4435.6 Ų35.623%0.22618%0.178CC..Hα-helixtrans-60.6-43179.7-68.7168.6000110.9P69 T72 A86 F87 Q93 C94P69-I90 HydrophobicContact CB-CG1 4.07Å; P69-I90 HydrophobicContact CB-CG2 4.18Å; P69-I90 HydrophobicContact CG-CG2 4.33Å; T72-I90 HydrophobicContact CG2-CD1 4.49Å; T72-I90 HydrophobicContact CG2-CG1 4.07Å; A86-I90 VanDerWaalsContact O-CG1 3.29Å; A86-I90 WeakPolarHBondContact O-CG1 3.36Å; A86-I90 PolarHBondContact O-N 3.31Å; F87-I90 PolarHBondContact O-N 2.66Å; I90-Q93 PolarHBondContact O-N 2.79Å; I90-C94 WeakPolarHBondContact O-CB 3.47Å; I90-C94 PolarHBondContact O-N 3.4Å; I90-C94 PolarHBondContact O-SG 3.08Å; I90-C94 VanDerWaalsContact O-SG 3.38Å
91I98.8Very high98.1Very high64 Ų6433 Ų3333%0.32817%0.166SC..Hα-helixtrans-61.3-49.7175.1-69.8165000110.9F87 Y89 Q93 C94 L95F87-I91 HydrophobicContact CD1-CD1 3.85Å; F87-I91 HydrophobicContact CD2-CD1 4.26Å; F87-I91 HydrophobicContact CE1-CD1 3.35Å; F87-I91 HydrophobicContact CE2-CD1 3.81Å; F87-I91 HydrophobicContact CG-CD1 4.29Å; F87-I91 HydrophobicContact CZ-CD1 3.35Å; F87-I91 WeakPolarHBondContact O-CG1 3.45Å; F87-I91 PolarHBondContact O-N 3.37Å; F87-I91 VanDerWaalsContact O-N 3.12Å; Y89-I91 VanDerWaalsContact C-N 3.32Å; Y89-I91 PolarHBondContact O-N 3.37Å; I91-Q93 VanDerWaalsContact C-N 3.3Å; I91-Q93 PolarHBondContact O-N 2.67Å; I91-C94 PolarHBondContact O-N 3.02Å; I91-L95 HydrophobicContact CG2-CD1 3.75Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.41Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 3.38Å
92A98.8Very high98.3Very high6 Ų634.6 Ų34.65%0.0518%0.181CC..Hα-helixtrans-59.7-41.5-179.800000111.9V13 E16 F17 F88 Y89 L95 G96V13-A92 HydrophobicContact CG1-CB 3.85Å; V13-A92 WeakPolarHBondContact O-CB 3.39Å; E16-A92 HydrophobicContact CB-CB 4.24Å; F17-A92 WeakPolarHBondContact CA-O 3.35Å; F17-A92 HydrophobicContact CB-CB 4.11Å; F88-A92 VanDerWaalsContact O-CB 3.26Å; F88-A92 WeakPolarHBondContact O-CB 3.24Å; F88-A92 PolarHBondContact O-N 3.04Å; Y89-A92 PolarHBondContact O-N 3.01Å; A92-L95 PolarHBondContact O-N 3.01Å; A92-G96 WeakPolarHBondContact O-CA 3.44Å; A92-G96 PolarHBondContact O-N 3.38Å
93Q98.9Very high98.4Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-64-47176.5-69.4157.20.500111.3E16 T20 N68 P69 T72 Y89 I90 I91 G96 A97 A186E16-Q93 HydrophobicContact CB-CG 4.26Å; E16-Q93 PolarHBondContact OE2-NE2 2.87Å; T20-Q93 HydrophobicContact CG2-CB 4.31Å; T20-Q93 WeakPolarHBondContact CG2-O 3.47Å; T20-Q93 WeakPolarHBondContact OG1-CG 3.43Å; N68-Q93 PolarHBondContact O-OE1 3.12Å; P69-Q93 VanDerWaalsContact CA-OE1 3.28Å; P69-Q93 HydrophobicContact CG-CB 4.37Å; T72-Q93 PolarHBondContact OG1-NE2 3.47Å; T72-Q93 PolarHBondContact OG1-OE1 3.22Å; Y89-Q93 WeakPolarHBondContact O-CB 3.35Å; Y89-Q93 VanDerWaalsContact O-CD 3.23Å; Y89-Q93 WeakPolarHBondContact O-CG 3.47Å; Y89-Q93 PolarHBondContact O-N 2.85Å; I90-Q93 PolarHBondContact O-N 2.79Å; I91-Q93 VanDerWaalsContact C-N 3.3Å; I91-Q93 PolarHBondContact O-N 2.67Å; Q93-G96 PolarHBondContact O-N 2.97Å; Q93-A97 VanDerWaalsContact O-CB 3.25Å; Q93-A97 WeakPolarHBondContact O-CB 3.25Å; Q93-A97 PolarHBondContact O-N 3.09Å; Q93-A186 HydrophobicContact CB-CB 4.19Å
94C98.9Very high98.5Very high17 Ų1732.4 Ų32.412%0.11517%0.174CC..Hα-helixtrans-62.7-43.6177.3-73.70000112.3I90 I91 L98 F189I90-C94 WeakPolarHBondContact O-CB 3.47Å; I90-C94 PolarHBondContact O-N 3.4Å; I90-C94 PolarHBondContact O-SG 3.08Å; I90-C94 VanDerWaalsContact O-SG 3.38Å; I91-C94 PolarHBondContact O-N 3.02Å; C94-L98 WeakPolarHBondContact O-CG 3.3Å; C94-L98 PolarHBondContact O-N 2.91Å; C94-F189 HydrophobicContact CB-CD1 4.2Å; C94-F189 HydrophobicContact CB-CE1 4.22Å
95L98.9Very high98.6Very high95 Ų9535.7 Ų35.750%0.49719%0.186SC..Hα-helixtrans-67.3-40.2176.5-68.8178.5000112F17 I91 A92 L98 A99F17-L95 HydrophobicContact CD2-CB 4.03Å; F17-L95 HydrophobicContact CE2-CB 4.09Å; I91-L95 HydrophobicContact CG2-CD1 3.75Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.41Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 3.38Å; A92-L95 PolarHBondContact O-N 3.01Å; L95-L98 PolarHBondContact O-N 3.32Å; L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 3.07Å
96G98.9Very high98.7Very high0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-61.3-49.5175.100000110.8F17 M21 A92 Q93 L98 A99 G100F17-G96 VanDerWaalsContact CD2-N 3.28Å; F17-G96 WeakPolarHBondContact O-CA 3.39Å; M21-G96 WeakPolarHBondContact CA-O 3.37Å; M21-G96 WeakPolarHBondContact CB-O 3.14Å; A92-G96 WeakPolarHBondContact O-CA 3.44Å; A92-G96 PolarHBondContact O-N 3.38Å; Q93-G96 PolarHBondContact O-N 2.97Å; G96-L98 VanDerWaalsContact C-N 3.33Å; G96-L98 PolarHBondContact O-N 3.37Å; G96-A99 WeakPolarHBondContact O-CB 3.4Å; G96-A99 PolarHBondContact O-N 3.48Å; G96-A99 VanDerWaalsContact O-N 3.15Å; G96-G100 PolarHBondContact O-N 2.89Å
97A98.9Very high98.7Very high0 Ų040.9 Ų40.90%023%0.233CC..Hα-helixtrans-55.3-46.8175.600000112T20 V24 Q93 G100 A101 A186 A190T20-A97 HydrophobicContact CG2-CB 3.79Å; V24-A97 HydrophobicContact CB-CB 4.42Å; V24-A97 WeakPolarHBondContact CG1-O 3.2Å; V24-A97 HydrophobicContact CG2-CB 3.73Å; Q93-A97 VanDerWaalsContact O-CB 3.25Å; Q93-A97 WeakPolarHBondContact O-CB 3.25Å; Q93-A97 PolarHBondContact O-N 3.09Å; A97-G100 PolarHBondContact O-N 3.26Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.38Å; A97-A186 HydrophobicContact CB-CB 3.96Å; A97-A186 VanDerWaalsContact CB-O 3.26Å; A97-A186 WeakPolarHBondContact CB-O 3.26Å; A97-A190 HydrophobicContact CB-CB 3.69Å; A97-A190 VanDerWaalsContact O-CB 3.27Å; A97-A190 WeakPolarHBondContact O-CB 3.36Å
98L98.9Very high98.7Very high40 Ų4035.1 Ų35.121%0.20921%0.209CC..Hα-helixtrans-60.6-45.5176.1-76.7172.3000112C94 L95 G96 A101 A102 F189 A190 V193 L194C94-L98 WeakPolarHBondContact O-CG 3.3Å; C94-L98 PolarHBondContact O-N 2.91Å; L95-L98 PolarHBondContact O-N 3.32Å; G96-L98 VanDerWaalsContact C-N 3.33Å; G96-L98 PolarHBondContact O-N 3.37Å; L98-A101 PolarHBondContact O-N 3.39Å; L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.05Å; L98-F189 HydrophobicContact CD1-CE1 3.78Å; L98-F189 HydrophobicContact CD2-CE1 4.33Å; L98-F189 HydrophobicContact CG-CD1 4.38Å; L98-F189 HydrophobicContact CG-CE1 4.06Å; L98-A190 HydrophobicContact CD2-CB 4.3Å; L98-V193 HydrophobicContact CD2-CB 3.64Å; L98-V193 HydrophobicContact CD2-CG1 3.67Å; L98-V193 HydrophobicContact CD2-CG2 4.03Å; L98-L194 HydrophobicContact CD2-CD2 3.67Å
99A98.9Very high98.5Very high29 Ų2936.3 Ų36.324%0.2422%0.22CC..Hα-helixtrans-60.5-45.8176.900000111.3F17 M21 L95 G96 A102 V103F17-A99 HydrophobicContact CE2-CB 4.18Å; F17-A99 HydrophobicContact CZ-CB 3.89Å; M21-A99 HydrophobicContact CG-CB 4.14Å; M21-A99 HydrophobicContact SD-CB 4.16Å; L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 3.07Å; G96-A99 WeakPolarHBondContact O-CB 3.4Å; G96-A99 PolarHBondContact O-N 3.48Å; G96-A99 VanDerWaalsContact O-N 3.15Å; A99-A102 PolarHBondContact O-N 3.49Å; A99-V103 VanDerWaalsContact O-CG2 3.29Å; A99-V103 WeakPolarHBondContact O-CG2 3.29Å; A99-V103 PolarHBondContact O-N 3.4Å
100G98.9Very high98.3Very high0 Ų042 Ų420%025%0.252CS..Hα-helixtrans-62-46178.800000112.4M21 G96 A97 L104M21-G100 WeakPolarHBondContact O-CA 3.29Å; G96-G100 PolarHBondContact O-N 2.89Å; A97-G100 PolarHBondContact O-N 3.26Å; G100-L104 WeakPolarHBondContact O-CB 3.35Å; G100-L104 PolarHBondContact O-N 2.88Å
101A98.8Very high98Very high0 Ų046.3 Ų46.30%028%0.275CS..Hα-helixtrans-65.7-38.2175.600000112.6V24 L28 A97 L98 L104 Y105 L116 A190 L194V24-A101 HydrophobicContact CG1-CB 4.11Å; L28-A101 HydrophobicContact CD1-CB 3.85Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.38Å; L98-A101 PolarHBondContact O-N 3.39Å; A101-L104 PolarHBondContact O-N 2.97Å; A101-Y105 WeakPolarHBondContact O-CB 3.32Å; A101-Y105 PolarHBondContact O-N 2.83Å; A101-L116 HydrophobicContact CB-CD2 4.06Å; A101-A190 HydrophobicContact CB-CB 3.81Å; A101-L194 HydrophobicContact CB-CD2 3.87Å
102A98.8Very high97.8Very high48 Ų4844.8 Ų44.840%0.39727%0.267SS..Hα-helixtrans-67.9-42.6177.800000112.1L98 A99 Y105 G106L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.05Å; A99-A102 PolarHBondContact O-N 3.49Å; A102-Y105 WeakPolarHBondContact O-CB 3.46Å; A102-Y105 PolarHBondContact O-N 3.35Å; A102-G106 PolarHBondContact O-N 3.14Å
103V98.8Very high97.6Very high77 Ų7746.5 Ų46.547%0.46727%0.272SS..Hα-helixtrans-61-47.4173173.40000109.7F25 A99 Y105 G106 V107F25-V103 HydrophobicContact CD2-CB 4.33Å; F25-V103 HydrophobicContact CD2-CG1 4.05Å; F25-V103 HydrophobicContact CE2-CG1 3.84Å; A99-V103 VanDerWaalsContact O-CG2 3.29Å; A99-V103 WeakPolarHBondContact O-CG2 3.29Å; A99-V103 PolarHBondContact O-N 3.4Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 2.98Å; V103-G106 PolarHBondContact O-N 3.42Å; V103-G106 VanDerWaalsContact O-N 3.14Å; V103-V107 WeakPolarHBondContact O-CG2 3.27Å; V103-V107 PolarHBondContact O-N 3.35Å
104L98.6Very high97.3Very high6 Ų650 Ų503%0.03131%0.307CS..Hα-helixtrans-56.9-46.2175.7179.865.9000111.9F25 L28 L32 G100 A101 G106 V107 T108 L116F25-L104 HydrophobicContact CD2-CB 3.85Å; F25-L104 HydrophobicContact CD2-CD1 4.49Å; F25-L104 HydrophobicContact CE2-CB 4.14Å; F25-L104 HydrophobicContact CE2-CD1 4.25Å; L28-L104 HydrophobicContact CB-CD2 3.44Å; L28-L104 VanDerWaalsContact CB-CD2 3.44Å; L32-L104 HydrophobicContact CD1-CD1 4.33Å; L32-L104 HydrophobicContact CD1-CD2 4.4Å; L32-L104 HydrophobicContact CD1-CG 4.5Å; G100-L104 WeakPolarHBondContact O-CB 3.35Å; G100-L104 PolarHBondContact O-N 2.88Å; A101-L104 PolarHBondContact O-N 2.97Å; L104-G106 VanDerWaalsContact C-N 3.32Å; L104-G106 PolarHBondContact O-N 2.93Å; L104-V107 PolarHBondContact O-N 2.86Å; L104-T108 WeakPolarHBondContact CD1-OG1 3.33Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.32Å; L104-T108 PolarHBondContact O-OG1 3.28Å; L104-L116 HydrophobicContact CD2-CD1 4.24Å; L104-L116 HydrophobicContact CG-CD1 4.39Å
105Y98.2Very high97.1Very high106 Ų10652.7 Ų52.742%0.41632%0.321SS..Hα-helixtrans-56.6-46176.3-177.7-82000111.5A101 A102 V103 V107 R113 L116A101-Y105 WeakPolarHBondContact O-CB 3.32Å; A101-Y105 PolarHBondContact O-N 2.83Å; A102-Y105 WeakPolarHBondContact O-CB 3.46Å; A102-Y105 PolarHBondContact O-N 3.35Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 2.98Å; Y105-V107 PolarHBondContact O-N 3.15Å; Y105-R113 VanDerWaalsContact CE1-NH1 3.25Å; Y105-R113 VanDerWaalsContact CZ-NH1 3.27Å; Y105-R113 VanDerWaalsContact O-CZ 3.23Å; Y105-R113 PolarHBondContact O-NE 3.44Å; Y105-R113 PolarHBondContact O-NH2 3.27Å; Y105-R113 PolarHBondContact OH-NH1 3.38Å; Y105-L116 HydrophobicContact CD2-CD1 4.37Å
106G98.1Very high97Very high56 Ų5648.3 Ų48.358%0.57730%0.298SS*.Hα-helixtrans-64.3-37.6-179.600000114A102 V103 L104A102-G106 PolarHBondContact O-N 3.14Å; V103-G106 PolarHBondContact O-N 3.42Å; V103-G106 VanDerWaalsContact O-N 3.14Å; L104-G106 VanDerWaalsContact C-N 3.32Å; L104-G106 PolarHBondContact O-N 2.93Å
107V98.1Very high96.9Very high99 Ų9948.9 Ų48.960%0.630%0.302SS*.Hα-helixtrans-90.7-11.6-177.3-55.30000114.1F25 V103 L104 Y105F25-V107 HydrophobicContact CE2-CG2 4.11Å; F25-V107 HydrophobicContact CZ-CG2 4.47Å; V103-V107 WeakPolarHBondContact O-CG2 3.27Å; V103-V107 PolarHBondContact O-N 3.35Å; L104-V107 PolarHBondContact O-N 2.86Å; Y105-V107 PolarHBondContact O-N 3.15Å
108T97.8Very high96.8Very high4 Ų449.6 Ų49.63%0.02531%0.306CS..SBendtrans-91.3131.9-178.1-60.20000111L32 W34 L104 M112 R113L32-T108 HydrophobicContact CD1-CG2 3.61Å; W34-T108 HydrophobicContact CH2-CG2 4.36Å; L104-T108 WeakPolarHBondContact CD1-OG1 3.33Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.32Å; L104-T108 PolarHBondContact O-OG1 3.28Å; T108-M112 HydrophobicContact CG2-CB 3.85Å; T108-R113 HydrophobicContact CG2-CG 3.78Å; T108-R113 VanDerWaalsContact O-CZ 3.32Å; T108-R113 PolarHBondContact O-NE 3.37Å; T108-R113 PolarHBondContact O-NH2 3.32Å
109P96.2Very high96.8Very high68 Ų6848 Ų4844%0.44230%0.298SS..  trans-58142.7173.9-24.734.5000112.9N111 M112 R113P109-N111 VanDerWaalsContact C-N 3.27Å; P109-N111 VanDerWaalsContact CB-OD1 3.29Å; P109-N111 WeakPolarHBondContact CB-OD1 3.47Å; P109-N111 PolarHBondContact O-N 2.96Å; P109-N111 VanDerWaalsContact O-N 3.14Å; P109-M112 HydrophobicContact CB-CG 4.14Å; P109-M112 HydrophobicContact CG-CG 4.41Å; P109-M112 PolarHBondContact O-N 3.39Å; P109-R113 PolarHBondContact O-N 3.03Å
110N94.4Very high96.7Very high124 Ų12449.4 Ų49.466%0.66330%0.304SS*.Hα-helixtrans-51.3-42.6-173.8-70.7-12.7000113.8M112 R113N110-M112 PolarHBondContact O-N 2.83Å; N110-R113 PolarHBondContact O-N 3.38Å; N110-R113 PolarHBondContact OD1-NH1 2.92Å; N110-R113 PolarHBondContact OD1-NH2 2.93Å; N110-R113 VanDerWaalsContact OD1-NH2 3.1Å
111N92.3Very high96.7Very high133 Ų13350.9 Ų50.971%0.71131%0.311SS*.Hα-helixtrans-67.4-20.418062.3-42000113.6P109P109-N111 VanDerWaalsContact C-N 3.27Å; P109-N111 VanDerWaalsContact CB-OD1 3.29Å; P109-N111 WeakPolarHBondContact CB-OD1 3.47Å; P109-N111 PolarHBondContact O-N 2.96Å; P109-N111 VanDerWaalsContact O-N 3.14Å
112M93.9Very high96.5Very high33 Ų3354.2 Ų54.216%0.16333%0.327CS..Hα-helixtrans-98-16.1-177.7-52.9-50.6-72.100113.1R33 W34 T108 P109 N110 G114R33-M112 WeakPolarHBondContact O-CE 3.21Å; W34-M112 HydrophobicContact CB-CE 4.41Å; W34-M112 HydrophobicContact CD2-CE 4.33Å; W34-M112 HydrophobicContact CE3-CE 3.73Å; W34-M112 HydrophobicContact CE3-CG 4.44Å; W34-M112 HydrophobicContact CZ3-CB 4.27Å; W34-M112 HydrophobicContact CZ3-CE 4.38Å; W34-M112 HydrophobicContact CZ3-CG 4.2Å; W34-M112 WeakPolarHBondContact O-CE 3.35Å; T108-M112 HydrophobicContact CG2-CB 3.85Å; P109-M112 HydrophobicContact CB-CG 4.14Å; P109-M112 HydrophobicContact CG-CG 4.41Å; P109-M112 PolarHBondContact O-N 3.39Å; N110-M112 PolarHBondContact O-N 2.83Å; M112-G114 VanDerWaalsContact C-N 3.35Å; M112-G114 PolarHBondContact O-N 3.37Å
113R93.8Very high96.3Very high42 Ų4257.8 Ų57.816%0.15835%0.346CS..Hα-helixtrans-62.7-38.7-175.5-70.1176.6-170.8165.76.5112.9Y105 T108 P109 N110 N115 L116Y105-R113 VanDerWaalsContact CE1-NH1 3.25Å; Y105-R113 VanDerWaalsContact CZ-NH1 3.27Å; Y105-R113 VanDerWaalsContact O-CZ 3.23Å; Y105-R113 PolarHBondContact O-NE 3.44Å; Y105-R113 PolarHBondContact O-NH2 3.27Å; Y105-R113 PolarHBondContact OH-NH1 3.38Å; T108-R113 HydrophobicContact CG2-CG 3.78Å; T108-R113 VanDerWaalsContact O-CZ 3.32Å; T108-R113 PolarHBondContact O-NE 3.37Å; T108-R113 PolarHBondContact O-NH2 3.32Å; P109-R113 PolarHBondContact O-N 3.03Å; N110-R113 PolarHBondContact O-N 3.38Å; N110-R113 PolarHBondContact OD1-NH1 2.92Å; N110-R113 PolarHBondContact OD1-NH2 2.93Å; N110-R113 VanDerWaalsContact OD1-NH2 3.1Å; R113-N115 PolarHBondContact O-N 3.27Å; R113-L116 WeakPolarHBondContact O-CA 3.42Å; R113-L116 PolarHBondContact O-N 2.86Å
114G93.6Very high96.2Very high72 Ų7258 Ų5874%0.74236%0.364SS*.THydrogen-bonded Turntrans49.3-131.5-173.700000111.9M112 L116M112-G114 VanDerWaalsContact C-N 3.35Å; M112-G114 PolarHBondContact O-N 3.37Å; G114-L116 VanDerWaalsContact C-N 3.3Å
115N94.9Very high96.1Very high75 Ų7559.5 Ų59.540%0.40137%0.372SS..THydrogen-bonded Turntrans-92.120172.468.8-4.5000113.3R113 A117 L118R113-N115 PolarHBondContact O-N 3.27Å; N115-A117 PolarHBondContact O-N 3.45Å; N115-A117 PolarHBondContact OD1-N 3.36Å; N115-L118 HydrophobicContact CB-CB 4.18Å; N115-L118 VanDerWaalsContact O-CB 3.31Å; N115-L118 WeakPolarHBondContact O-CB 3.37Å; N115-L118 PolarHBondContact O-N 2.81Å; N115-L118 VanDerWaalsContact O-N 3.14Å
116L96.9Very high96.1Very high2 Ų257.2 Ų57.21%0.0137%0.371CS..THydrogen-bonded Turntrans56.635.9-177.7-152.270.3000113.4A101 L104 Y105 R113 G114 L118 P191 L194 V195A101-L116 HydrophobicContact CB-CD2 4.06Å; L104-L116 HydrophobicContact CD2-CD1 4.24Å; L104-L116 HydrophobicContact CG-CD1 4.39Å; Y105-L116 HydrophobicContact CD2-CD1 4.37Å; R113-L116 WeakPolarHBondContact O-CA 3.42Å; R113-L116 PolarHBondContact O-N 2.86Å; G114-L116 VanDerWaalsContact C-N 3.3Å; L116-L118 PolarHBondContact O-N 2.98Å; L116-P191 HydrophobicContact CB-CB 4.26Å; L116-P191 WeakPolarHBondContact O-CB 3.43Å; L116-L194 HydrophobicContact CD2-CB 4.07Å; L116-L194 HydrophobicContact CD2-CG 4.42Å; L116-V195 HydrophobicContact CB-CG1 4Å
117A96.5Very high96.1Very high12 Ų1258.1 Ų58.110%0.09936%0.362CS..THydrogen-bonded Turntrans54.738-176.500000113.5L28 A31 L32 N115 N119 R187L28-A117 HydrophobicContact CB-CB 4.37Å; L28-A117 HydrophobicContact CD2-CB 3.92Å; A31-A117 HydrophobicContact CB-CB 3.49Å; A31-A117 VanDerWaalsContact CB-CB 3.49Å; L32-A117 HydrophobicContact CD2-CB 4.47Å; N115-A117 PolarHBondContact O-N 3.45Å; N115-A117 PolarHBondContact OD1-N 3.36Å; A117-N119 PolarHBondContact O-N 2.97Å; A117-R187 PolarHBondContact O-NH1 2.84Å
118L97.9Very high96.1Very high16 Ų1655.6 Ų55.68%0.08436%0.356CS..  trans-52.1133.4168.5-178.968.8000110.1N115 L116 T120 P191 A192 V195 N197N115-L118 HydrophobicContact CB-CB 4.18Å; N115-L118 VanDerWaalsContact O-CB 3.31Å; N115-L118 WeakPolarHBondContact O-CB 3.37Å; N115-L118 PolarHBondContact O-N 2.81Å; N115-L118 VanDerWaalsContact O-N 3.14Å; L116-L118 PolarHBondContact O-N 2.98Å; L118-T120 HydrophobicContact CD2-CG2 4.23Å; L118-T120 HydrophobicContact CG-CG2 4.28Å; L118-T120 PolarHBondContact O-N 3.26Å; L118-P191 HydrophobicContact CB-CB 4.34Å; L118-P191 HydrophobicContact CD1-CB 4.26Å; L118-P191 HydrophobicContact CD1-CG 4.23Å; L118-A192 HydrophobicContact CD1-CB 3.71Å; L118-V195 HydrophobicContact CD2-CG2 4.07Å; L118-N197 HydrophobicContact CD2-CB 3.88Å
119N98.2Very high96.2Very high5 Ų560.7 Ų60.73%0.02738%0.381CS..  trans-66.3127.3171-71.4103.1000109.9A117 T179 G180 A181 G182 R187 S188 Y204A117-N119 PolarHBondContact O-N 2.97Å; N119-T179 PolarHBondContact ND2-O 3.48Å; N119-G180 PolarHBondContact ND2-O 2.83Å; N119-A181 PolarHBondContact ND2-O 3.34Å; N119-G182 PolarHBondContact ND2-N 3.14Å; N119-R187 WeakPolarHBondContact OD1-CD 3.07Å; N119-R187 PolarHBondContact OD1-NE 2.91Å; N119-R187 PolarHBondContact OD1-NH1 2.98Å; N119-R187 VanDerWaalsContact OD1-NH1 3.09Å; N119-S188 WeakPolarHBondContact OD1-CB 3.41Å; N119-S188 PolarHBondContact OD1-OG 3.09Å; N119-Y204 HydrophobicContact CB-CD1 3.88Å; N119-Y204 HydrophobicContact CB-CD2 4.13Å; N119-Y204 HydrophobicContact CB-CE1 3.39Å; N119-Y204 HydrophobicContact CB-CE2 3.7Å; N119-Y204 HydrophobicContact CB-CG 4.22Å; N119-Y204 WeakPolarHBondContact O-CE2 3.49Å; N119-Y204 PolarHBondContact O-OH 3.44Å
120T97.3Very high96.3Very high60 Ų6057.5 Ų57.537%0.36836%0.36SS..  trans-136.6146.2179.1560000110.2L118 T179 Y204L118-T120 HydrophobicContact CD2-CG2 4.23Å; L118-T120 HydrophobicContact CG-CG2 4.28Å; L118-T120 PolarHBondContact O-N 3.26Å; T120-T179 PolarHBondContact N-O 2.86Å; T120-T179 CarbonylContact O-C 3.54Å; T120-T179 WeakPolarHBondContact O-CA 3.38Å; T120-Y204 VanDerWaalsContact CA-OH 3.28Å; T120-Y204 WeakPolarHBondContact CA-OH 3.03Å; T120-Y204 PolarHBondContact N-OH 2.82Å; T120-Y204 VanDerWaalsContact N-OH 3.08Å
121L97.6Very high96.5Very high30 Ų3052.3 Ų52.316%0.15733%0.333CS..PPolyproline II helixtrans-67.4136.9171.3-81.464.2000109.6L127 A130 N200L121-L127 HydrophobicContact CD2-CD2 3.92Å; L121-A130 HydrophobicContact CD1-CB 4.1Å; L121-A130 HydrophobicContact CD2-CB 3.58Å; L121-A130 HydrophobicContact CG-CB 3.64Å; L121-N200 HydrophobicContact CD1-CB 3.88Å
122Q95.4Very high96.8Very high71 Ų7149.5 Ų49.533%0.33232%0.321SS..PPolyproline II helixtrans-72.6152.1172.2-64.3-58.4-24.400111.2G124 I125 I176 Y177 Y178Q122-G124 PolarHBondContact O-N 3.05Å; Q122-I125 HydrophobicContact CB-CG1 4.06Å; Q122-I125 WeakPolarHBondContact O-CB 3.15Å; Q122-I125 WeakPolarHBondContact O-CG1 3.39Å; Q122-I125 PolarHBondContact O-N 3.36Å; Q122-I125 VanDerWaalsContact O-N 3.12Å; Q122-I176 PolarHBondContact NE2-O 3.48Å; Q122-Y177 WeakPolarHBondContact CG-O 3.06Å; Q122-Y178 PolarHBondContact N-O 2.91Å
123P94.9Very high97Very high122 Ų12249.1 Ų49.179%0.79232%0.319SS*.THydrogen-bonded Turntrans-53.2134.1176.1-26.235000112.1I125P123-I125 VanDerWaalsContact C-N 3.32Å
124G95.7Very high97.3Very high82 Ų8247.1 Ų47.185%0.84531%0.311SS*.THydrogen-bonded Turntrans85.7-6.7-17900000115.3Q122Q122-G124 PolarHBondContact O-N 3.05Å
125I97.8Very high97.5Very high38 Ų3845 Ų4520%0.19528%0.283CS..  trans-87.4119.3175.1-55.6-56.6000110Q122 P123 M129 A130 Y178Q122-I125 HydrophobicContact CB-CG1 4.06Å; Q122-I125 WeakPolarHBondContact O-CB 3.15Å; Q122-I125 WeakPolarHBondContact O-CG1 3.39Å; Q122-I125 PolarHBondContact O-N 3.36Å; Q122-I125 VanDerWaalsContact O-N 3.12Å; P123-I125 VanDerWaalsContact C-N 3.32Å; I125-M129 HydrophobicContact CG2-CB 3.91Å; I125-A130 HydrophobicContact CG2-CB 3.95Å; I125-Y178 HydrophobicContact CD1-CD1 3.83Å; I125-Y178 HydrophobicContact CD1-CE1 4.31Å; I125-Y178 HydrophobicContact CG1-CD1 4.49Å
126S97.9Very high97.7Very high57 Ų5747.8 Ų47.840%0.39929%0.292SS..  trans-74.2160.7174.676.70000111.9G128 M129 A130S126-G128 PolarHBondContact O-N 3.36Å; S126-M129 PolarHBondContact O-N 3Å; S126-M129 VanDerWaalsContact O-N 3.17Å; S126-M129 VanDerWaalsContact OG-CG 3.29Å; S126-M129 WeakPolarHBondContact OG-CG 3.41Å; S126-M129 PolarHBondContact OG-N 2.92Å; S126-A130 WeakPolarHBondContact O-CB 3.32Å; S126-A130 PolarHBondContact O-N 3.09Å
127L98Very high97.8Very high76 Ų7648 Ų4840%0.39829%0.293SS..Hα-helixtrans-58-37.8176.2-68.7171.4000112.7L121 T131 N200 W202 V203L121-L127 HydrophobicContact CD2-CD2 3.92Å; L127-T131 WeakPolarHBondContact O-CB 3.29Å; L127-T131 PolarHBondContact O-N 3.39Å; L127-T131 PolarHBondContact O-OG1 3.19Å; L127-N200 HydrophobicContact CD2-CB 4.13Å; L127-N200 WeakPolarHBondContact CD2-OD1 3.31Å; L127-W202 HydrophobicContact CB-CZ2 4.24Å; L127-W202 HydrophobicContact CD1-CZ2 4.46Å; L127-W202 HydrophobicContact CD2-CZ2 4.32Å; L127-V203 HydrophobicContact CD2-CG2 4.09Å
128G98.2Very high97.9Very high45 Ų4547.4 Ų47.446%0.46429%0.288SS..Hα-helixtrans-65.1-45.8175.900000111.9S126 T131 T132S126-G128 PolarHBondContact O-N 3.36Å; G128-T131 PolarHBondContact O-N 3.49Å; G128-T132 WeakPolarHBondContact O-CB 3.18Å; G128-T132 PolarHBondContact O-N 2.94Å; G128-T132 PolarHBondContact O-OG1 2.9Å
129M98.4Very high97.9Very high112 Ų11248.3 Ų48.355%0.55229%0.293SS*.Hα-helixtrans-61.7-44.7175.9-69.1167.5178.700111.7I125 S126 T132 I133I125-M129 HydrophobicContact CG2-CB 3.91Å; S126-M129 PolarHBondContact O-N 3Å; S126-M129 VanDerWaalsContact O-N 3.17Å; S126-M129 VanDerWaalsContact OG-CG 3.29Å; S126-M129 WeakPolarHBondContact OG-CG 3.41Å; S126-M129 PolarHBondContact OG-N 2.92Å; M129-T132 PolarHBondContact O-N 2.97Å; M129-I133 PolarHBondContact O-N 3.38Å
130A98.5Very high98Very high0 Ų050.8 Ų50.80%030%0.304CS..Hα-helixtrans-62.9-42.5178.300000112.6L121 I125 S126 I133 E134 T179 V203L121-A130 HydrophobicContact CD1-CB 4.1Å; L121-A130 HydrophobicContact CD2-CB 3.58Å; L121-A130 HydrophobicContact CG-CB 3.64Å; I125-A130 HydrophobicContact CG2-CB 3.95Å; S126-A130 WeakPolarHBondContact O-CB 3.32Å; S126-A130 PolarHBondContact O-N 3.09Å; A130-I133 WeakPolarHBondContact O-CG2 3.26Å; A130-E134 WeakPolarHBondContact O-CG 2.99Å; A130-E134 PolarHBondContact O-N 2.87Å; A130-E134 VanDerWaalsContact O-N 3.16Å; A130-T179 HydrophobicContact CB-CG2 3.66Å; A130-V203 HydrophobicContact CB-CG1 4.02Å
131T98.6Very high98Very high16 Ų1648.2 Ų48.210%0.09829%0.288CS..Hα-helixtrans-68.6-43.6178.2-52.20000110.7L127 G128 I133 E134 I135 W202 V206L127-T131 WeakPolarHBondContact O-CB 3.29Å; L127-T131 PolarHBondContact O-N 3.39Å; L127-T131 PolarHBondContact O-OG1 3.19Å; G128-T131 PolarHBondContact O-N 3.49Å; T131-I133 PolarHBondContact O-N 2.84Å; T131-E134 PolarHBondContact O-N 3.44Å; T131-I135 HydrophobicContact CG2-CD1 4.22Å; T131-I135 VanDerWaalsContact O-CG1 3.29Å; T131-I135 WeakPolarHBondContact O-CG1 3.47Å; T131-I135 PolarHBondContact O-N 2.93Å; T131-W202 HydrophobicContact CG2-CZ3 4.29Å; T131-W202 WeakPolarHBondContact OG1-CH2 3.35Å; T131-V206 HydrophobicContact CG2-CG1 4.34Å
132T98.7Very high98.1Very high74 Ų7446.8 Ų46.845%0.45428%0.281SS..Hα-helixtrans-60.7-44177.2-62.30000111.8G128 M129 E134 I135 F136G128-T132 WeakPolarHBondContact O-CB 3.18Å; G128-T132 PolarHBondContact O-N 2.94Å; G128-T132 PolarHBondContact O-OG1 2.9Å; M129-T132 PolarHBondContact O-N 2.97Å; T132-E134 PolarHBondContact O-N 3.46Å; T132-I135 WeakPolarHBondContact O-CB 3.48Å; T132-I135 PolarHBondContact O-N 3.38Å; T132-F136 HydrophobicContact CG2-CD2 4.08Å; T132-F136 HydrophobicContact CG2-CE2 4.08Å; T132-F136 WeakPolarHBondContact O-CD2 3.24Å; T132-F136 PolarHBondContact O-N 2.83Å; T132-F136 VanDerWaalsContact O-N 3.13Å
133I98.6Very high98.2Very high24 Ų2444.8 Ų44.812%0.12327%0.273CS..Hα-helixtrans-63.1-46.6177.9-162.868000110.4M129 A130 T131 I135 F136 L137 L174 Y178 T179M129-I133 PolarHBondContact O-N 3.38Å; A130-I133 WeakPolarHBondContact O-CG2 3.26Å; T131-I133 PolarHBondContact O-N 2.84Å; I133-I135 VanDerWaalsContact C-N 3.27Å; I133-I135 PolarHBondContact O-N 2.97Å; I133-F136 PolarHBondContact O-N 3.28Å; I133-L137 HydrophobicContact CG1-CD1 4.23Å; I133-L137 HydrophobicContact CG1-CD2 4.47Å; I133-L137 HydrophobicContact CG1-CG 4.19Å; I133-L137 VanDerWaalsContact O-CG 3.22Å; I133-L137 WeakPolarHBondContact O-CG 3.24Å; I133-L137 PolarHBondContact O-N 2.91Å; I133-L174 HydrophobicContact CD1-CD2 3.93Å; I133-L174 HydrophobicContact CD1-CG 4.28Å; I133-Y178 HydrophobicContact CG1-CD2 4.22Å; I133-Y178 HydrophobicContact CG1-CG 4.11Å; I133-Y178 HydrophobicContact CG2-CG 4.31Å; I133-T179 HydrophobicContact CG2-CG2 3.58Å
134E98.8Very high98.4Very high0 Ų040.3 Ų40.30%025%0.245CC..Hα-helixtrans-58.8-35.4177.3-73.7-64.9156.600113.5A130 T131 T132 T138 T179 G182 M183 V203 Y204 P208A130-E134 WeakPolarHBondContact O-CG 2.99Å; A130-E134 PolarHBondContact O-N 2.87Å; A130-E134 VanDerWaalsContact O-N 3.16Å; T131-E134 PolarHBondContact O-N 3.44Å; T132-E134 PolarHBondContact O-N 3.46Å; E134-T138 WeakPolarHBondContact O-CB 3.36Å; E134-T138 PolarHBondContact O-N 2.91Å; E134-T138 VanDerWaalsContact O-N 3.1Å; E134-T138 PolarHBondContact O-OG1 3.29Å; E134-T179 HydrophobicContact CG-CG2 4.29Å; E134-T179 WeakPolarHBondContact OE1-CB 3.35Å; E134-T179 PolarHBondContact OE1-OG1 3.29Å; E134-G182 WeakPolarHBondContact OE1-CA 3.3Å; E134-G182 PolarHBondContact OE1-N 2.89Å; E134-G182 WeakPolarHBondContact OE2-CA 3.34Å; E134-G182 PolarHBondContact OE2-N 3.26Å; E134-M183 PolarHBondContact OE2-N 3.13Å; E134-V203 HydrophobicContact CG-CG1 4.14Å; E134-Y204 HydrophobicContact CG-CD1 4.44Å; E134-P208 HydrophobicContact CB-CG 4.43Å
135I98.9Very high98.5Very high29 Ų2936.8 Ų36.815%0.14921%0.207CC..Hα-helixtrans-59-53.6171.8-70.6167.4000110.1T131 T132 I133 T138 L139 G207 I210 G211 I214T131-I135 HydrophobicContact CG2-CD1 4.22Å; T131-I135 VanDerWaalsContact O-CG1 3.29Å; T131-I135 WeakPolarHBondContact O-CG1 3.47Å; T131-I135 PolarHBondContact O-N 2.93Å; T132-I135 WeakPolarHBondContact O-CB 3.48Å; T132-I135 PolarHBondContact O-N 3.38Å; I133-I135 VanDerWaalsContact C-N 3.27Å; I133-I135 PolarHBondContact O-N 2.97Å; I135-T138 PolarHBondContact O-N 2.97Å; I135-L139 WeakPolarHBondContact O-CB 3.36Å; I135-L139 PolarHBondContact O-N 2.94Å; I135-G207 WeakPolarHBondContact CA-O 3.38Å; I135-G207 WeakPolarHBondContact CG1-O 3.46Å; I135-I210 HydrophobicContact CD1-CB 4.29Å; I135-I210 HydrophobicContact CD1-CG2 3.85Å; I135-I210 HydrophobicContact CG1-CB 4.09Å; I135-I210 HydrophobicContact CG1-CG2 3.97Å; I135-I210 HydrophobicContact CG2-CG2 4.35Å; I135-G211 WeakPolarHBondContact O-CA 3.18Å; I135-I214 HydrophobicContact CG2-CD1 4.19Å
136F98.8Very high98.5Very high132 Ų13235.1 Ų35.158%0.57920%0.198SC*.Hα-helixtrans-66.3-40.5-177-87.5-100.2000112.8T132 I133 T138 L139 Q140T132-F136 HydrophobicContact CG2-CD2 4.08Å; T132-F136 HydrophobicContact CG2-CE2 4.08Å; T132-F136 WeakPolarHBondContact O-CD2 3.24Å; T132-F136 PolarHBondContact O-N 2.83Å; T132-F136 VanDerWaalsContact O-N 3.13Å; I133-F136 PolarHBondContact O-N 3.28Å; F136-T138 VanDerWaalsContact C-N 3.29Å; F136-T138 PolarHBondContact O-N 3.14Å; F136-L139 PolarHBondContact O-N 3.18Å; F136-Q140 WeakPolarHBondContact O-CG 3.5Å; F136-Q140 PolarHBondContact O-N 2.89Å
137L98.9Very high98.4Very high6 Ų633.4 Ų33.43%0.03119%0.187CC..Hα-helixtrans-60.7-41177.3-61.4176.9000111.2I133 Q140 G171 L174 A181 M183I133-L137 HydrophobicContact CG1-CD1 4.23Å; I133-L137 HydrophobicContact CG1-CD2 4.47Å; I133-L137 HydrophobicContact CG1-CG 4.19Å; I133-L137 VanDerWaalsContact O-CG 3.22Å; I133-L137 WeakPolarHBondContact O-CG 3.24Å; I133-L137 PolarHBondContact O-N 2.91Å; L137-Q140 WeakPolarHBondContact O-CG 3.4Å; L137-Q140 PolarHBondContact O-NE2 3.44Å; L137-G171 WeakPolarHBondContact CD2-O 3.46Å; L137-L174 HydrophobicContact CD2-CB 4.34Å; L137-L174 HydrophobicContact CD2-CD2 4.23Å; L137-A181 HydrophobicContact CD1-CB 4.48Å; L137-M183 HydrophobicContact CB-CE 4.43Å; L137-M183 HydrophobicContact CB-CG 3.69Å; L137-M183 HydrophobicContact CB-SD 4.09Å; L137-M183 HydrophobicContact CD1-CG 4.2Å; L137-M183 WeakPolarHBondContact O-CE 3.44Å
138T98.9Very high98.2Very high0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-81.8-33-178.4-46.60000112.2A70 E134 I135 F136 L141 V142 P208A70-T138 HydrophobicContact CB-CG2 3.95Å; E134-T138 WeakPolarHBondContact O-CB 3.36Å; E134-T138 PolarHBondContact O-N 2.91Å; E134-T138 VanDerWaalsContact O-N 3.1Å; E134-T138 PolarHBondContact O-OG1 3.29Å; I135-T138 PolarHBondContact O-N 2.97Å; F136-T138 VanDerWaalsContact C-N 3.29Å; F136-T138 PolarHBondContact O-N 3.14Å; T138-L141 WeakPolarHBondContact O-CB 3.09Å; T138-L141 PolarHBondContact O-N 3.45Å; T138-V142 HydrophobicContact CG2-CG2 4.34Å; T138-V142 PolarHBondContact O-N 2.88Å; T138-P208 HydrophobicContact CG2-CB 3.97Å; T138-P208 WeakPolarHBondContact CG2-O 3.36Å; T138-P208 VanDerWaalsContact OG1-CA 3.31Å; T138-P208 WeakPolarHBondContact OG1-CA 3.44Å; T138-P208 WeakPolarHBondContact OG1-CB 3.38Å
139L98.8Very high98Very high35 Ų3531 Ų3118%0.18317%0.167CC..Hα-helixtrans-57.7-52.9174.9-178.1165000110.9I135 F136 L141 V142 V143 G211 I214 L218I135-L139 WeakPolarHBondContact O-CB 3.36Å; I135-L139 PolarHBondContact O-N 2.94Å; F136-L139 PolarHBondContact O-N 3.18Å; L139-L141 PolarHBondContact O-N 3.39Å; L139-V142 PolarHBondContact O-N 2.91Å; L139-V143 HydrophobicContact CD2-CG2 3.99Å; L139-V143 WeakPolarHBondContact O-CG2 3.31Å; L139-V143 PolarHBondContact O-N 2.86Å; L139-G211 WeakPolarHBondContact CA-O 3.18Å; L139-I214 HydrophobicContact CD1-CB 4.17Å; L139-I214 HydrophobicContact CD1-CG2 3.52Å; L139-I214 HydrophobicContact CG-CG2 4.3Å; L139-L218 HydrophobicContact CD2-CD2 4.31Å
140Q98.8Very high97.7Very high57 Ų5726 Ų2627%0.26614%0.142SC..Hα-helixtrans-62.7-34.3-179.967.677.338.700112F136 L137 C144 S167F136-Q140 WeakPolarHBondContact O-CG 3.5Å; F136-Q140 PolarHBondContact O-N 2.89Å; L137-Q140 WeakPolarHBondContact O-CG 3.4Å; L137-Q140 PolarHBondContact O-NE2 3.44Å; Q140-C144 WeakPolarHBondContact O-CB 3.44Å; Q140-C144 PolarHBondContact O-N 3.39Å; Q140-S167 VanDerWaalsContact CD-OG 3.28Å; Q140-S167 PolarHBondContact NE2-O 3.01Å; Q140-S167 PolarHBondContact NE2-OG 2.97Å; Q140-S167 PolarHBondContact OE1-OG 3.45Å
141L98.8Very high97.2Very high6 Ų635 Ų353%0.03118%0.184CC..Hα-helixtrans-63.3-50.5175173.863.2000111.3V71 T138 L139 C144 V145 I164 S167 V168 M183V71-L141 HydrophobicContact CG2-CD2 4.35Å; T138-L141 WeakPolarHBondContact O-CB 3.09Å; T138-L141 PolarHBondContact O-N 3.45Å; L139-L141 PolarHBondContact O-N 3.39Å; L141-C144 WeakPolarHBondContact O-CB 3.27Å; L141-C144 PolarHBondContact O-N 2.99Å; L141-V145 HydrophobicContact CD1-CG2 4.15Å; L141-V145 HydrophobicContact CG-CG2 4.45Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.48Å; L141-V145 PolarHBondContact O-N 3.49Å; L141-I164 HydrophobicContact CD1-CG2 3.96Å; L141-S167 VanDerWaalsContact CA-OG 3.28Å; L141-S167 WeakPolarHBondContact CA-OG 3.14Å; L141-V168 HydrophobicContact CD1-CG2 3.71Å; L141-V168 HydrophobicContact CD2-CG2 4.22Å; L141-M183 HydrophobicContact CB-CE 4.1Å; L141-M183 HydrophobicContact CD2-CE 4.01Å
142V98.8Very high96.7Very high0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-67-39.5-178167.80000111.7V71 A74 T138 L139 C144 V145 F146V71-V142 HydrophobicContact CG2-CG2 4.26Å; A74-V142 HydrophobicContact CB-CB 4.42Å; A74-V142 HydrophobicContact CB-CG1 3.54Å; A74-V142 HydrophobicContact CB-CG2 3.97Å; T138-V142 HydrophobicContact CG2-CG2 4.34Å; T138-V142 PolarHBondContact O-N 2.88Å; L139-V142 PolarHBondContact O-N 2.91Å; V142-C144 VanDerWaalsContact C-N 3.3Å; V142-C144 PolarHBondContact O-N 3.37Å; V142-V145 PolarHBondContact O-N 2.94Å; V142-F146 HydrophobicContact CG1-CD1 3.86Å; V142-F146 HydrophobicContact CG1-CE1 3.82Å; V142-F146 HydrophobicContact CG1-CZ 4.44Å; V142-F146 WeakPolarHBondContact O-CB 3.48Å; V142-F146 WeakPolarHBondContact O-CD1 3.42Å; V142-F146 PolarHBondContact O-N 3.18Å
143V98.6Very high95.9Very high29 Ų2940.4 Ų40.418%0.17620%0.195CC..Hα-helixtrans-60.2-43173.1172.70000110.7L139 A147 L218 L223L139-V143 HydrophobicContact CD2-CG2 3.99Å; L139-V143 WeakPolarHBondContact O-CG2 3.31Å; L139-V143 PolarHBondContact O-N 2.86Å; V143-A147 WeakPolarHBondContact O-CB 3.27Å; V143-A147 PolarHBondContact O-N 3Å; V143-L218 HydrophobicContact CG2-CD2 4.05Å; V143-L223 HydrophobicContact CG1-CD1 4.16Å
144C98.3Very high94.4Very high29 Ų2946.9 Ų46.920%0.19623%0.229CC..Hα-helixtrans-59.7-52.3174.8-178.80000111.1Q140 L141 V142 F146 A147 V148Q140-C144 WeakPolarHBondContact O-CB 3.44Å; Q140-C144 PolarHBondContact O-N 3.39Å; L141-C144 WeakPolarHBondContact O-CB 3.27Å; L141-C144 PolarHBondContact O-N 2.99Å; V142-C144 VanDerWaalsContact C-N 3.3Å; V142-C144 PolarHBondContact O-N 3.37Å; C144-F146 PolarHBondContact O-N 2.81Å; C144-A147 PolarHBondContact O-N 2.84Å; C144-V148 WeakPolarHBondContact O-CG2 3.43Å; C144-V148 PolarHBondContact O-N 2.99Å
145V98Very high92.8Very high8 Ų850 Ų505%0.04826%0.262CS..Hα-helixtrans-53.7-511791690000111.1V71 Y75 L141 V142 A147 V148 T149 I164V71-V145 HydrophobicContact CG1-CG1 4.17Å; Y75-V145 HydrophobicContact CE2-CG1 3.69Å; Y75-V145 VanDerWaalsContact OH-CG1 3.3Å; Y75-V145 WeakPolarHBondContact OH-CG1 3.33Å; L141-V145 HydrophobicContact CD1-CG2 4.15Å; L141-V145 HydrophobicContact CG-CG2 4.45Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.48Å; L141-V145 PolarHBondContact O-N 3.49Å; V142-V145 PolarHBondContact O-N 2.94Å; V145-A147 PolarHBondContact O-N 2.99Å; V145-V148 PolarHBondContact O-N 3.1Å; V145-T149 WeakPolarHBondContact O-CB 3.4Å; V145-T149 WeakPolarHBondContact O-CG2 3.47Å; V145-T149 PolarHBondContact O-N 3.33Å; V145-T149 PolarHBondContact O-OG1 3.46Å; V145-I164 HydrophobicContact CG2-CB 4.49Å; V145-I164 HydrophobicContact CG2-CD1 4.03Å; V145-I164 HydrophobicContact CG2-CG1 3.86Å; V145-I164 HydrophobicContact CG2-CG2 3.82Å
146F97Very high90.9Very high3 Ų361 Ų611%0.01330%0.301CS..Hα-helixtrans-63.1-45.2-179.9-83.242.4000110.6A74 Y75 V142 C144 V148 T149 D150 A216 Y219A74-F146 HydrophobicContact CB-CE1 3.99Å; A74-F146 HydrophobicContact CB-CZ 4.13Å; Y75-F146 HydrophobicContact CD2-CE1 4.05Å; Y75-F146 HydrophobicContact CE1-CE1 4.47Å; Y75-F146 HydrophobicContact CE2-CD1 4.48Å; Y75-F146 HydrophobicContact CE2-CE1 4.05Å; Y75-F146 HydrophobicContact CG-CE1 4.28Å; V142-F146 HydrophobicContact CG1-CD1 3.86Å; V142-F146 HydrophobicContact CG1-CE1 3.82Å; V142-F146 HydrophobicContact CG1-CZ 4.44Å; V142-F146 WeakPolarHBondContact O-CB 3.48Å; V142-F146 WeakPolarHBondContact O-CD1 3.42Å; V142-F146 PolarHBondContact O-N 3.18Å; C144-F146 PolarHBondContact O-N 2.81Å; F146-V148 VanDerWaalsContact C-N 3.31Å; F146-V148 PolarHBondContact O-N 3.42Å; F146-T149 PolarHBondContact O-N 3.06Å; F146-T149 PolarHBondContact O-OG1 2.97Å; F146-D150 WeakPolarHBondContact O-CB 3.35Å; F146-D150 PolarHBondContact O-N 3.26Å; F146-A216 HydrophobicContact CE2-CB 3.61Å; F146-A216 HydrophobicContact CZ-CB 3.62Å; F146-Y219 HydrophobicContact CB-CD1 3.67Å; F146-Y219 HydrophobicContact CB-CD2 4.29Å; F146-Y219 HydrophobicContact CB-CE1 4.1Å; F146-Y219 HydrophobicContact CB-CG 3.76Å; F146-Y219 AromaticContact CD2-CD1 3.93Å; F146-Y219 HydrophobicContact CD2-CD1 3.93Å; F146-Y219 HydrophobicContact CD2-CG 4.3Å; F146-Y219 HydrophobicContact CG-CD1 4.33Å
147A95.6Very high89.5Confident20 Ų2057.9 Ų57.917%0.16529%0.29CS..Hα-helixtrans-66.9-26.2-178.400000115.1V143 C144 V145 R153 Y219V143-A147 WeakPolarHBondContact O-CB 3.27Å; V143-A147 PolarHBondContact O-N 3Å; C144-A147 PolarHBondContact O-N 2.84Å; V145-A147 PolarHBondContact O-N 2.99Å; A147-R153 WeakPolarHBondContact O-CD 3.48Å; A147-R153 PolarHBondContact O-NH1 2.66Å; A147-R153 VanDerWaalsContact O-NH1 3.09Å; A147-Y219 HydrophobicContact CB-CD2 4.28Å; A147-Y219 HydrophobicContact CB-CE2 3.57Å
148V94.9Very high88.9Confident16 Ų1661 Ų6110%0.09732%0.324CS..Hα-helixtrans-96.6-16.9178.6-57.70000113.6C144 V145 F146 L157 A160 A163 I164C144-V148 WeakPolarHBondContact O-CG2 3.43Å; C144-V148 PolarHBondContact O-N 2.99Å; V145-V148 PolarHBondContact O-N 3.1Å; F146-V148 VanDerWaalsContact C-N 3.31Å; F146-V148 PolarHBondContact O-N 3.42Å; V148-L157 HydrophobicContact CB-CD2 4.1Å; V148-L157 HydrophobicContact CG1-CD2 4.21Å; V148-A160 HydrophobicContact CB-CB 3.95Å; V148-A160 HydrophobicContact CG2-CB 3.88Å; V148-A163 HydrophobicContact CG1-CB 3.97Å; V148-I164 HydrophobicContact CG2-CD1 3.72Å; V148-I164 HydrophobicContact CG2-CG1 3.66Å
149T93.4Very high88.6Confident56 Ų5663.3 Ų63.334%0.34434%0.34SS..Hα-helixtrans-98.4-6.6175.157.60000112.9Y75 V145 F146 E151Y75-T149 PolarHBondContact OH-OG1 2.86Å; V145-T149 WeakPolarHBondContact O-CB 3.4Å; V145-T149 WeakPolarHBondContact O-CG2 3.47Å; V145-T149 PolarHBondContact O-N 3.33Å; V145-T149 PolarHBondContact O-OG1 3.46Å; F146-T149 PolarHBondContact O-N 3.06Å; F146-T149 PolarHBondContact O-OG1 2.97Å; T149-E151 PolarHBondContact O-N 3.31Å; T149-E151 VanDerWaalsContact O-N 3.16Å
150D92.6Very high88.3Confident5 Ų563 Ų633%0.02734%0.343CS..  trans-73.4107177.7-160.3-20.6000112.2F146 R152 R153 Y219 F224 R226F146-D150 WeakPolarHBondContact O-CB 3.35Å; F146-D150 PolarHBondContact O-N 3.26Å; D150-R152 PolarHBondContact O-N 2.82Å; D150-R152 VanDerWaalsContact O-N 3.16Å; D150-R152 VanDerWaalsContact OD1-CB 3.24Å; D150-R152 WeakPolarHBondContact OD1-CB 3.41Å; D150-R152 VanDerWaalsContact OD1-CG 3.3Å; D150-R152 WeakPolarHBondContact OD1-CG 3.39Å; D150-R152 IonicContact OD1-CZ 3.97Å; D150-R152 PolarHBondContact OD1-N 3.08Å; D150-R152 IonicContact OD1-NE 3.01Å; D150-R152 PolarHBondContact OD1-NE 2.92Å; D150-R152 IonicContact OD2-CZ 3.23Å; D150-R152 VanDerWaalsContact OD2-CZ 3.23Å; D150-R152 IonicContact OD2-NE 3.02Å; D150-R152 PolarHBondContact OD2-NE 3.48Å; D150-R152 IonicContact OD2-NH2 2.67Å; D150-R152 PolarHBondContact OD2-NH2 3.2Å; D150-R153 VanDerWaalsContact O-CB 3.32Å; D150-R153 WeakPolarHBondContact O-CB 3.37Å; D150-R153 PolarHBondContact O-N 3.36Å; D150-R153 VanDerWaalsContact O-N 3.1Å; D150-Y219 HydrophobicContact CB-CE1 4.21Å; D150-Y219 WeakPolarHBondContact CB-OH 3.41Å; D150-Y219 WeakPolarHBondContact OD2-CE1 3.25Å; D150-Y219 PolarHBondContact OD2-OH 3.16Å; D150-F224 WeakPolarHBondContact OD2-CD1 3.13Å; D150-R226 IonicContact OD1-NH2 3.4Å; D150-R226 PolarHBondContact OD1-NH2 3.45Å; D150-R226 VanDerWaalsContact OD1-NH2 3.08Å; D150-R226 IonicContact OD2-NH2 3.07Å; D150-R226 PolarHBondContact OD2-NH2 3.4Å
151E88.3Confident88.2Confident190 Ų19060.6 Ų60.689%0.88833%0.333SS*.THydrogen-bonded Turntrans-60-21.9177.5-60.8178.1169.100113.7T149 R153T149-E151 PolarHBondContact O-N 3.31Å; T149-E151 VanDerWaalsContact O-N 3.16Å; E151-R153 PolarHBondContact O-N 2.84Å
152R88.3Confident88.2Confident81 Ų8163.7 Ų63.731%0.30635%0.349SS..THydrogen-bonded Turntrans-72.4-12.7178.1-61.6178.1-62.7163.9-0112.8D150 N154 F224 P225D150-R152 PolarHBondContact O-N 2.82Å; D150-R152 VanDerWaalsContact O-N 3.16Å; D150-R152 VanDerWaalsContact OD1-CB 3.24Å; D150-R152 WeakPolarHBondContact OD1-CB 3.41Å; D150-R152 VanDerWaalsContact OD1-CG 3.3Å; D150-R152 WeakPolarHBondContact OD1-CG 3.39Å; D150-R152 IonicContact OD1-CZ 3.97Å; D150-R152 PolarHBondContact OD1-N 3.08Å; D150-R152 IonicContact OD1-NE 3.01Å; D150-R152 PolarHBondContact OD1-NE 2.92Å; D150-R152 IonicContact OD2-CZ 3.23Å; D150-R152 VanDerWaalsContact OD2-CZ 3.23Å; D150-R152 IonicContact OD2-NE 3.02Å; D150-R152 PolarHBondContact OD2-NE 3.48Å; D150-R152 IonicContact OD2-NH2 2.67Å; D150-R152 PolarHBondContact OD2-NH2 3.2Å; R152-N154 PolarHBondContact O-N 3.15Å; R152-F224 HydrophobicContact CB-CE1 3.65Å; R152-F224 HydrophobicContact CB-CZ 4.24Å; R152-F224 VanDerWaalsContact NH2-CD1 3.31Å; R152-F224 PolarHBondContact NH2-O 2.68Å; R152-P225 PolarHBondContact NH1-O 2.97Å
153R81.4Confident88.1Confident123 Ų12365.4 Ų65.446%0.46436%0.363SS..  trans-79.2111.9-178.9-174.9178.4177178.5-0.4110A147 D150 E151 G155A147-R153 WeakPolarHBondContact O-CD 3.48Å; A147-R153 PolarHBondContact O-NH1 2.66Å; A147-R153 VanDerWaalsContact O-NH1 3.09Å; D150-R153 VanDerWaalsContact O-CB 3.32Å; D150-R153 WeakPolarHBondContact O-CB 3.37Å; D150-R153 PolarHBondContact O-N 3.36Å; D150-R153 VanDerWaalsContact O-N 3.1Å; E151-R153 PolarHBondContact O-N 2.84Å; R153-G155 PolarHBondContact O-N 2.98Å
154N66.3Low88.1Confident159 Ų15964.5 Ų64.585%0.8536%0.357SS*.  trans-74.3119.4173.9-64.2-16.1000110.5R152R152-N154 PolarHBondContact O-N 3.15Å
155G65.5Low88.1Confident66 Ų6663.1 Ų63.168%0.6835%0.348SS*.SBendtrans143.6-174.1166.100000117.7R153 L157R153-G155 PolarHBondContact O-N 2.98Å; G155-L157 PolarHBondContact O-N 3.23Å
156R59.8Low88.2Confident259 Ų25967 Ų6798%0.97737%0.365SS*.  trans-81.388.7-178.6-65.6173.6176.5155.2-1.8110.9G158R156-G158 VanDerWaalsContact C-N 3.25Å; R156-G158 PolarHBondContact O-N 2.96Å
157L69.1Low88.3Confident67 Ų6767.2 Ų67.235%0.35137%0.366SS..  trans-67.2-22177.3-82.7153.1000114V148 G155V148-L157 HydrophobicContact CB-CD2 4.1Å; V148-L157 HydrophobicContact CG1-CD2 4.21Å; G155-L157 PolarHBondContact O-N 3.23Å
158G85.1Confident88.4Confident72 Ų7266.7 Ų66.774%0.74236%0.361SS*.  trans65-142.8-162.200000110R156R156-G158 VanDerWaalsContact C-N 3.25Å; R156-G158 PolarHBondContact O-N 2.96Å
159S92.4Very high88.6Confident48 Ų4866.6 Ų66.634%0.33636%0.36SS..  trans-88.3111.4174.9173.70000110.8Q57 A161 L162 A163Q57-S159 PolarHBondContact OE1-OG 3.19Å; S159-A161 PolarHBondContact O-N 2.79Å; S159-L162 PolarHBondContact O-N 3.43Å; S159-L162 PolarHBondContact OG-N 3.21Å; S159-L162 VanDerWaalsContact OG-N 3.12Å; S159-A163 PolarHBondContact O-N 3.4Å
160A94Very high88.8Confident30 Ų3068.8 Ų68.825%0.24837%0.368CS..Hα-helixtrans-57.5-39.517200000111.6V148 L162 A163 I164V148-A160 HydrophobicContact CB-CB 3.95Å; V148-A160 HydrophobicContact CG2-CB 3.88Å; A160-L162 PolarHBondContact O-N 2.86Å; A160-A163 PolarHBondContact O-N 3.34Å; A160-I164 VanDerWaalsContact O-CG1 3.32Å; A160-I164 WeakPolarHBondContact O-CG1 3.46Å; A160-I164 PolarHBondContact O-N 3.43Å
161A96.6Very high89.1Confident6 Ų668.6 Ų68.65%0.0537%0.368CS..Hα-helixtrans-62.3-43.2177.700000111.9A53 I56 Q57 S159 I164 G165A53-A161 WeakPolarHBondContact CA-O 3.49Å; A53-A161 WeakPolarHBondContact CB-O 3.5Å; A53-A161 WeakPolarHBondContact O-CB 3.43Å; I56-A161 HydrophobicContact CB-CB 4.12Å; I56-A161 HydrophobicContact CG2-CB 3.83Å; Q57-A161 HydrophobicContact CB-CB 3.69Å; Q57-A161 HydrophobicContact CG-CB 4.46Å; S159-A161 PolarHBondContact O-N 2.79Å; A161-I164 PolarHBondContact O-N 3.32Å; A161-G165 PolarHBondContact O-N 2.97Å
162L97.8Very high89.6Confident71 Ų7159.7 Ų59.737%0.37233%0.326SS..Hα-helixtrans-65.7-40.7177-170.165.4000112A53 S159 A160 I164 G165 F166A53-L162 HydrophobicContact CB-CD1 4.27Å; S159-L162 PolarHBondContact O-N 3.43Å; S159-L162 PolarHBondContact OG-N 3.21Å; S159-L162 VanDerWaalsContact OG-N 3.12Å; A160-L162 PolarHBondContact O-N 2.86Å; L162-I164 PolarHBondContact O-N 3.26Å; L162-G165 PolarHBondContact O-N 3.48Å; L162-F166 HydrophobicContact CD1-CD2 4.35Å; L162-F166 HydrophobicContact CD1-CE1 4.31Å; L162-F166 HydrophobicContact CD1-CE2 3.84Å; L162-F166 HydrophobicContact CD1-CZ 3.81Å; L162-F166 HydrophobicContact CD2-CE2 3.78Å; L162-F166 HydrophobicContact CD2-CZ 4.31Å; L162-F166 HydrophobicContact CG-CD2 3.91Å; L162-F166 HydrophobicContact CG-CE2 3.54Å; L162-F166 HydrophobicContact CG-CZ 4.06Å; L162-F166 PolarHBondContact O-N 3.46Å
163A97.9Very high90.1Very high35 Ų3559.1 Ų59.129%0.28933%0.329SS..Hα-helixtrans-60.2-45.1175.700000111.8V148 S159 A160 F166 S167V148-A163 HydrophobicContact CG1-CB 3.97Å; S159-A163 PolarHBondContact O-N 3.4Å; A160-A163 PolarHBondContact O-N 3.34Å; A163-F166 PolarHBondContact O-N 2.86Å; A163-S167 PolarHBondContact O-N 2.89Å
164I98.4Very high90.9Very high10 Ų1057.2 Ų57.25%0.05133%0.327CS..Hα-helixtrans-64.1-43.5176.1-63.6163.3000110.6I56 L141 V145 V148 A160 A161 L162 F166 S167 V168I56-I164 HydrophobicContact CD1-CB 3.97Å; I56-I164 HydrophobicContact CD1-CD1 4.34Å; I56-I164 HydrophobicContact CD1-CG2 3.39Å; I56-I164 HydrophobicContact CG2-CD1 4.27Å; L141-I164 HydrophobicContact CD1-CG2 3.96Å; V145-I164 HydrophobicContact CG2-CB 4.49Å; V145-I164 HydrophobicContact CG2-CD1 4.03Å; V145-I164 HydrophobicContact CG2-CG1 3.86Å; V145-I164 HydrophobicContact CG2-CG2 3.82Å; V148-I164 HydrophobicContact CG2-CD1 3.72Å; V148-I164 HydrophobicContact CG2-CG1 3.66Å; A160-I164 VanDerWaalsContact O-CG1 3.32Å; A160-I164 WeakPolarHBondContact O-CG1 3.46Å; A160-I164 PolarHBondContact O-N 3.43Å; A161-I164 PolarHBondContact O-N 3.32Å; L162-I164 PolarHBondContact O-N 3.26Å; I164-F166 PolarHBondContact O-N 2.95Å; I164-S167 WeakPolarHBondContact O-CB 3.47Å; I164-S167 PolarHBondContact O-N 3.35Å; I164-S167 VanDerWaalsContact O-N 3.14Å; I164-V168 PolarHBondContact O-N 3.32Å
165G98.6Very high92.4Very high1 Ų149.6 Ų49.61%0.0129%0.287CS..Hα-helixtrans-60.1-43176.100000113.2G49 A161 L162 S167 V168 L169G49-G165 WeakPolarHBondContact CA-O 3.43Å; G49-G165 CarbonylContact O-C 3.58Å; G49-G165 WeakPolarHBondContact O-CA 3.48Å; A161-G165 PolarHBondContact O-N 2.97Å; L162-G165 PolarHBondContact O-N 3.48Å; G165-S167 VanDerWaalsContact C-N 3.33Å; G165-S167 PolarHBondContact O-N 3.37Å; G165-V168 WeakPolarHBondContact O-CB 3.26Å; G165-V168 PolarHBondContact O-N 3.45Å; G165-L169 PolarHBondContact O-N 3Å
166F98.8Very high93.9Very high90 Ų9047.4 Ų47.440%0.39526%0.259SS..Hα-helixtrans-67.9-31.1174.2-72.3-34.2000113.2L162 A163 I164 L169 I170L162-F166 HydrophobicContact CD1-CD2 4.35Å; L162-F166 HydrophobicContact CD1-CE1 4.31Å; L162-F166 HydrophobicContact CD1-CE2 3.84Å; L162-F166 HydrophobicContact CD1-CZ 3.81Å; L162-F166 HydrophobicContact CD2-CE2 3.78Å; L162-F166 HydrophobicContact CD2-CZ 4.31Å; L162-F166 HydrophobicContact CG-CD2 3.91Å; L162-F166 HydrophobicContact CG-CE2 3.54Å; L162-F166 HydrophobicContact CG-CZ 4.06Å; L162-F166 PolarHBondContact O-N 3.46Å; A163-F166 PolarHBondContact O-N 2.86Å; I164-F166 PolarHBondContact O-N 2.95Å; F166-L169 HydrophobicContact CD1-CD1 4.01Å; F166-L169 HydrophobicContact CE1-CD1 4.38Å; F166-L169 WeakPolarHBondContact O-CB 3.49Å; F166-L169 PolarHBondContact O-N 3.26Å; F166-I170 VanDerWaalsContact O-CG1 3.27Å; F166-I170 WeakPolarHBondContact O-CG1 3.49Å; F166-I170 PolarHBondContact O-N 2.78Å
167S98.8Very high95.6Very high6 Ų642 Ų424%0.04224%0.239CC..Hα-helixtrans-65.2-38.4170.9175.30000112.3Q140 L141 A163 I164 G165 G171Q140-S167 VanDerWaalsContact CD-OG 3.28Å; Q140-S167 PolarHBondContact NE2-O 3.01Å; Q140-S167 PolarHBondContact NE2-OG 2.97Å; Q140-S167 PolarHBondContact OE1-OG 3.45Å; L141-S167 VanDerWaalsContact CA-OG 3.28Å; L141-S167 WeakPolarHBondContact CA-OG 3.14Å; A163-S167 PolarHBondContact O-N 2.89Å; I164-S167 WeakPolarHBondContact O-CB 3.47Å; I164-S167 PolarHBondContact O-N 3.35Å; I164-S167 VanDerWaalsContact O-N 3.14Å; G165-S167 VanDerWaalsContact C-N 3.33Å; G165-S167 PolarHBondContact O-N 3.37Å; S167-G171 PolarHBondContact O-N 3.22Å; S167-G171 VanDerWaalsContact O-N 3.09Å
168V98.8Very high97Very high10 Ų1042.9 Ų42.96%0.06124%0.239CC..Hα-helixtrans-63.1-43.9170.6174.10000110.9F48 A52 L141 I164 G165 G171 H172F48-V168 HydrophobicContact CB-CG1 4.05Å; A52-V168 HydrophobicContact CB-CB 4.34Å; A52-V168 HydrophobicContact CB-CG2 4Å; L141-V168 HydrophobicContact CD1-CG2 3.71Å; L141-V168 HydrophobicContact CD2-CG2 4.22Å; I164-V168 PolarHBondContact O-N 3.32Å; G165-V168 WeakPolarHBondContact O-CB 3.26Å; G165-V168 PolarHBondContact O-N 3.45Å; V168-G171 PolarHBondContact O-N 2.92Å; V168-H172 PolarHBondContact O-N 3.27Å; V168-H172 PolarHBondContact O-ND1 2.84Å
169L98.6Very high97.6Very high13 Ų1339.4 Ų39.47%0.06820%0.203CC..Hα-helixtrans-57.8-50.8176.5-175.1161.4000111.2A45 F46 G165 F166 G171 H172 L173A45-L169 HydrophobicContact CB-CG 4.16Å; F46-L169 HydrophobicContact CB-CD1 4.44Å; F46-L169 HydrophobicContact CD1-CD1 3.44Å; F46-L169 VanDerWaalsContact CD1-CD1 3.44Å; F46-L169 HydrophobicContact CD2-CD1 4.22Å; F46-L169 HydrophobicContact CE1-CD1 3.58Å; F46-L169 HydrophobicContact CE2-CD1 4.36Å; F46-L169 HydrophobicContact CG-CD1 3.78Å; F46-L169 HydrophobicContact CZ-CD1 4.05Å; G165-L169 PolarHBondContact O-N 3Å; F166-L169 HydrophobicContact CD1-CD1 4.01Å; F166-L169 HydrophobicContact CE1-CD1 4.38Å; F166-L169 WeakPolarHBondContact O-CB 3.49Å; F166-L169 PolarHBondContact O-N 3.26Å; L169-G171 VanDerWaalsContact C-N 3.26Å; L169-G171 PolarHBondContact O-N 3.39Å; L169-H172 PolarHBondContact O-N 3.09Å; L169-L173 HydrophobicContact CD2-CD1 3.43Å; L169-L173 VanDerWaalsContact CD2-CD1 3.43Å; L169-L173 HydrophobicContact CD2-CD2 4.46Å; L169-L173 HydrophobicContact CD2-CG 3.74Å; L169-L173 WeakPolarHBondContact O-CG 3.02Å; L169-L173 PolarHBondContact O-N 2.7Å
170I98.5Very high97.8Very high102 Ų10237.9 Ų37.952%0.52320%0.195SC..Hα-helixtrans-56.3-44.5178-71.7165.1000110.3F166 H172 L173 L174F166-I170 VanDerWaalsContact O-CG1 3.27Å; F166-I170 WeakPolarHBondContact O-CG1 3.49Å; F166-I170 PolarHBondContact O-N 2.78Å; I170-H172 VanDerWaalsContact C-N 3.3Å; I170-H172 PolarHBondContact O-N 3.04Å; I170-L173 PolarHBondContact O-N 3.23Å; I170-L174 PolarHBondContact O-N 2.97Å
171G98.6Very high98Very high2 Ų236.5 Ų36.52%0.02118%0.184CC..Hα-helixtrans-60.4-39.3176.600000112.8L137 S167 V168 L169 G175L137-G171 WeakPolarHBondContact CD2-O 3.46Å; S167-G171 PolarHBondContact O-N 3.22Å; S167-G171 VanDerWaalsContact O-N 3.09Å; V168-G171 PolarHBondContact O-N 2.92Å; L169-G171 VanDerWaalsContact C-N 3.26Å; L169-G171 PolarHBondContact O-N 3.39Å; G171-G175 WeakPolarHBondContact O-CA 3.37Å; G171-G175 PolarHBondContact O-N 3.23Å
172H98.6Very high98Very high3 Ų336.3 Ų36.31%0.01418%0.182CC..Hα-helixtrans-71.6-37.6177.1-76.868.8000113.3A45 F48 V168 L169 I170 L174 I176 A181A45-H172 HydrophobicContact CB-CB 3.57Å; F48-H172 AromaticContact CD1-NE2 3.65Å; F48-H172 AromaticContact CD2-CD2 3.52Å; F48-H172 AromaticContact CD2-NE2 3.39Å; F48-H172 WeakPolarHBondContact CD2-NE2 3.22Å; F48-H172 AromaticContact CE2-NE2 3.89Å; F48-H172 AromaticContact CG-CD2 3.73Å; F48-H172 AromaticContact CG-CE1 3.8Å; F48-H172 AromaticContact CG-NE2 3.25Å; F48-H172 WeakPolarHBondContact CG-NE2 3.42Å; V168-H172 PolarHBondContact O-N 3.27Å; V168-H172 PolarHBondContact O-ND1 2.84Å; L169-H172 PolarHBondContact O-N 3.09Å; I170-H172 VanDerWaalsContact C-N 3.3Å; I170-H172 PolarHBondContact O-N 3.04Å; H172-L174 PolarHBondContact O-N 3.21Å; H172-I176 HydrophobicContact CB-CD1 3.99Å; H172-I176 HydrophobicContact CB-CG1 4.41Å; H172-I176 WeakPolarHBondContact O-CB 3.28Å; H172-I176 WeakPolarHBondContact O-CD1 3.36Å; H172-I176 VanDerWaalsContact O-CG1 3.22Å; H172-I176 WeakPolarHBondContact O-CG1 3.39Å; H172-I176 PolarHBondContact O-N 3.45Å; H172-A181 HydrophobicContact CB-CB 4.35Å
173L98.4Very high98.1Very high68 Ų6833.1 Ų33.136%0.35617%0.165SC..Hα-helixtrans-56.2-33.5177-73.7178000112.4V41 L42 A45 L169 I170 Y177V41-L173 HydrophobicContact CG1-CD2 4.47Å; L42-L173 HydrophobicContact CD1-CD2 3.85Å; A45-L173 HydrophobicContact CB-CD2 3.78Å; A45-L173 HydrophobicContact CB-CG 3.98Å; L169-L173 HydrophobicContact CD2-CD1 3.43Å; L169-L173 VanDerWaalsContact CD2-CD1 3.43Å; L169-L173 HydrophobicContact CD2-CD2 4.46Å; L169-L173 HydrophobicContact CD2-CG 3.74Å; L169-L173 WeakPolarHBondContact O-CG 3.02Å; L169-L173 PolarHBondContact O-N 2.7Å; I170-L173 PolarHBondContact O-N 3.23Å; L173-Y177 WeakPolarHBondContact O-CE2 3.5Å
174L97.9Very high98.1Very high83 Ų8331.7 Ų31.744%0.43515%0.153SC..Hα-helixtrans-92.9-55.1176.3-178.462.8000112.2I133 L137 I170 H172 I176 Y177 Y178I133-L174 HydrophobicContact CD1-CD2 3.93Å; I133-L174 HydrophobicContact CD1-CG 4.28Å; L137-L174 HydrophobicContact CD2-CB 4.34Å; L137-L174 HydrophobicContact CD2-CD2 4.23Å; I170-L174 PolarHBondContact O-N 2.97Å; H172-L174 PolarHBondContact O-N 3.21Å; L174-I176 VanDerWaalsContact C-N 3.29Å; L174-I176 PolarHBondContact O-N 3.16Å; L174-Y177 PolarHBondContact O-N 3.21Å; L174-Y178 HydrophobicContact CD1-CE2 3.84Å; L174-Y178 HydrophobicContact CG-CE2 4.32Å; L174-Y178 WeakPolarHBondContact O-CD2 3.47Å
175G97.9Very high98.1Very high0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-66.7-23.1-166.400000115.2G171 Y177 Y178 T179 G180 A181G171-G175 WeakPolarHBondContact O-CA 3.37Å; G171-G175 PolarHBondContact O-N 3.23Å; G175-Y177 PolarHBondContact O-N 3.31Å; G175-Y178 PolarHBondContact O-N 2.99Å; G175-T179 PolarHBondContact O-N 2.93Å; G175-T179 PolarHBondContact O-OG1 3.02Å; G175-G180 PolarHBondContact O-N 2.79Å; G175-A181 PolarHBondContact O-N 2.95Å
176I97.1Very high98.2Very high19 Ų1931.1 Ų31.110%0.09715%0.15CC..Hα-helixtrans-60-36.4179.4-73.6170000111.4V41 V44 Q122 H172 L174 Y178 G180 A181V41-I176 HydrophobicContact CG1-CB 4.26Å; V41-I176 HydrophobicContact CG1-CD1 4.05Å; V41-I176 HydrophobicContact CG2-CB 4.4Å; V41-I176 HydrophobicContact CG2-CG2 3.81Å; V44-I176 HydrophobicContact CB-CD1 3.88Å; V44-I176 HydrophobicContact CG1-CD1 3.7Å; Q122-I176 PolarHBondContact NE2-O 3.48Å; H172-I176 HydrophobicContact CB-CD1 3.99Å; H172-I176 HydrophobicContact CB-CG1 4.41Å; H172-I176 WeakPolarHBondContact O-CB 3.28Å; H172-I176 WeakPolarHBondContact O-CD1 3.36Å; H172-I176 VanDerWaalsContact O-CG1 3.22Å; H172-I176 WeakPolarHBondContact O-CG1 3.39Å; H172-I176 PolarHBondContact O-N 3.45Å; L174-I176 VanDerWaalsContact C-N 3.29Å; L174-I176 PolarHBondContact O-N 3.16Å; I176-Y178 PolarHBondContact O-N 2.92Å; I176-G180 PolarHBondContact O-N 3.21Å; I176-A181 HydrophobicContact CG1-CB 4.13Å
177Y96.6Very high98.2Very high145 Ų14527.2 Ų27.257%0.56913%0.132SC*.Hα-helixtrans-73.4-7.3178.8-61.6-68.3000114.8V41 Q122 L173 L174 G175V41-Y177 HydrophobicContact CG1-CE2 4.08Å; V41-Y177 HydrophobicContact CG2-CE1 3.8Å; V41-Y177 HydrophobicContact CG2-CE2 4.14Å; V41-Y177 WeakPolarHBondContact CG2-OH 3.4Å; Q122-Y177 WeakPolarHBondContact CG-O 3.06Å; L173-Y177 WeakPolarHBondContact O-CE2 3.5Å; L174-Y177 PolarHBondContact O-N 3.21Å; G175-Y177 PolarHBondContact O-N 3.31Å
178Y98.1Very high98.2Very high86 Ų8626.9 Ų26.934%0.33713%0.13SC..Hα-helixtrans-114.5-52.4-178.9-65.4-99.4000111.5Q122 I125 I133 L174 G175 I176Q122-Y178 PolarHBondContact N-O 2.91Å; I125-Y178 HydrophobicContact CD1-CD1 3.83Å; I125-Y178 HydrophobicContact CD1-CE1 4.31Å; I125-Y178 HydrophobicContact CG1-CD1 4.49Å; I133-Y178 HydrophobicContact CG1-CD2 4.22Å; I133-Y178 HydrophobicContact CG1-CG 4.11Å; I133-Y178 HydrophobicContact CG2-CG 4.31Å; L174-Y178 HydrophobicContact CD1-CE2 3.84Å; L174-Y178 HydrophobicContact CG-CE2 4.32Å; L174-Y178 WeakPolarHBondContact O-CD2 3.47Å; G175-Y178 PolarHBondContact O-N 2.99Å; I176-Y178 PolarHBondContact O-N 2.92Å
179T98.1Very high98.2Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-135.90.1-166.159.80000113.4N119 T120 A130 I133 E134 G175 A181 Y204N119-T179 PolarHBondContact ND2-O 3.48Å; T120-T179 PolarHBondContact N-O 2.86Å; T120-T179 CarbonylContact O-C 3.54Å; T120-T179 WeakPolarHBondContact O-CA 3.38Å; A130-T179 HydrophobicContact CB-CG2 3.66Å; I133-T179 HydrophobicContact CG2-CG2 3.58Å; E134-T179 HydrophobicContact CG-CG2 4.29Å; E134-T179 WeakPolarHBondContact OE1-CB 3.35Å; E134-T179 PolarHBondContact OE1-OG1 3.29Å; G175-T179 PolarHBondContact O-N 2.93Å; G175-T179 PolarHBondContact O-OG1 3.02Å; T179-A181 VanDerWaalsContact C-N 3.28Å; T179-A181 PolarHBondContact OG1-N 3.43Å; T179-Y204 WeakPolarHBondContact O-CE1 3.35Å; T179-Y204 PolarHBondContact O-OH 3.34Å
180G96.6Very high98.2Very high16 Ų1628.2 Ų28.217%0.16514%0.135CC..SBendtrans79.18.6-168.100000113.9N119 G175 I176N119-G180 PolarHBondContact ND2-O 2.83Å; G175-G180 PolarHBondContact O-N 2.79Å; I176-G180 PolarHBondContact O-N 3.21Å
181A97.7Very high98.2Very high0 Ų023.4 Ų23.40%011%0.11CC..  trans54.382.9-174.300000112.9N119 L137 H172 G175 I176 T179 M183N119-A181 PolarHBondContact ND2-O 3.34Å; L137-A181 HydrophobicContact CD1-CB 4.48Å; H172-A181 HydrophobicContact CB-CB 4.35Å; G175-A181 PolarHBondContact O-N 2.95Å; I176-A181 HydrophobicContact CG1-CB 4.13Å; T179-A181 VanDerWaalsContact C-N 3.28Å; T179-A181 PolarHBondContact OG1-N 3.43Å; A181-M183 HydrophobicContact CB-SD 4.45Å
182G97.1Very high98.2Very high2 Ų223.3 Ų23.32%0.02111%0.109CC..  trans-65.6-70.2175.500000111N119 E134 N184N119-G182 PolarHBondContact ND2-N 3.14Å; E134-G182 WeakPolarHBondContact OE1-CA 3.3Å; E134-G182 PolarHBondContact OE1-N 2.89Å; E134-G182 WeakPolarHBondContact OE2-CA 3.34Å; E134-G182 PolarHBondContact OE2-N 3.26Å; G182-N184 PolarHBondContact O-N 3.29Å
183M98.7Very high98.2Very high4 Ų425.5 Ų25.52%0.0212%0.123CC..  trans56-15.7179.5-58.1174.664.400116.1N68 E134 L137 L141 A181N68-M183 PolarHBondContact ND2-O 3.38Å; E134-M183 PolarHBondContact OE2-N 3.13Å; L137-M183 HydrophobicContact CB-CE 4.43Å; L137-M183 HydrophobicContact CB-CG 3.69Å; L137-M183 HydrophobicContact CB-SD 4.09Å; L137-M183 HydrophobicContact CD1-CG 4.2Å; L137-M183 WeakPolarHBondContact O-CE 3.44Å; L141-M183 HydrophobicContact CB-CE 4.1Å; L141-M183 HydrophobicContact CD2-CE 4.01Å; A181-M183 HydrophobicContact CB-SD 4.45Å
184N98.8Very high98.1Very high5 Ų525.2 Ų25.23%0.02712%0.121CC..  trans-146.7107.9-169.3179.3-24.5000108.8F23 I67 N68 P69 G182 A186 R187 S188F23-N184 WeakPolarHBondContact CE1-ND2 3.27Å; I67-N184 PolarHBondContact O-ND2 3.43Å; N68-N184 HydrophobicContact CB-CB 4.34Å; N68-N184 WeakPolarHBondContact CB-ND2 3.28Å; N68-N184 VanDerWaalsContact CG-CG 3.44Å; N68-N184 WeakPolarHBondContact ND2-CB 3.27Å; N68-N184 WeakPolarHBondContact OD1-CA 3.4Å; P69-N184 VanDerWaalsContact CD-OD1 3.31Å; P69-N184 WeakPolarHBondContact CD-OD1 3.44Å; G182-N184 PolarHBondContact O-N 3.29Å; N184-A186 VanDerWaalsContact C-N 3.28Å; N184-A186 PolarHBondContact O-N 3.14Å; N184-A186 WeakPolarHBondContact OD1-CB 3.47Å; N184-A186 PolarHBondContact OD1-N 3.32Å; N184-R187 HydrophobicContact CB-CB 3.87Å; N184-R187 PolarHBondContact O-N 3.22Å; N184-R187 VanDerWaalsContact O-N 3.16Å; N184-R187 PolarHBondContact OD1-N 3.41Å; N184-S188 PolarHBondContact O-N 3Å; N184-S188 VanDerWaalsContact O-N 3.15Å
185P98.9Very high98.1Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-58.2-36.3-179-26.133.7000114N68 P69 A70 S188 F189 Y204 W205 P208N68-P185 VanDerWaalsContact OD1-CD 3.31Å; N68-P185 WeakPolarHBondContact OD1-CD 3.02Å; P69-P185 HydrophobicContact CB-CB 4.17Å; P69-P185 HydrophobicContact CB-CG 4.12Å; P69-P185 HydrophobicContact CG-CB 4.22Å; A70-P185 HydrophobicContact CB-CG 4.3Å; P185-S188 PolarHBondContact O-N 2.95Å; P185-F189 WeakPolarHBondContact O-CB 3.49Å; P185-F189 PolarHBondContact O-N 3.46Å; P185-Y204 WeakPolarHBondContact CA-O 3.39Å; P185-Y204 WeakPolarHBondContact CG-O 3.4Å; P185-W205 HydrophobicContact CB-CD2 3.54Å; P185-W205 HydrophobicContact CB-CE3 3.52Å; P185-W205 HydrophobicContact CB-CG 4.13Å; P185-W205 HydrophobicContact CB-CH2 3.94Å; P185-W205 HydrophobicContact CB-CZ2 3.94Å; P185-W205 HydrophobicContact CB-CZ3 3.73Å; P185-W205 HydrophobicContact CG-CD2 4.37Å; P185-W205 HydrophobicContact CG-CE3 4.13Å; P185-P208 HydrophobicContact CG-CB 4.22Å
186A98.9Very high98.1Very high0 Ų034.2 Ų34.20%015%0.154CC..Hα-helixtrans-66.7-40.5178.500000111.9T20 P69 Q93 A97 N184 S188 F189 A190T20-A186 HydrophobicContact CG2-CB 4.22Å; P69-A186 HydrophobicContact CG-CB 3.72Å; Q93-A186 HydrophobicContact CB-CB 4.19Å; A97-A186 HydrophobicContact CB-CB 3.96Å; A97-A186 VanDerWaalsContact CB-O 3.26Å; A97-A186 WeakPolarHBondContact CB-O 3.26Å; N184-A186 VanDerWaalsContact C-N 3.28Å; N184-A186 PolarHBondContact O-N 3.14Å; N184-A186 WeakPolarHBondContact OD1-CB 3.47Å; N184-A186 PolarHBondContact OD1-N 3.32Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-S188 PolarHBondContact O-N 3.45Å; A186-F189 PolarHBondContact O-N 2.83Å; A186-A190 PolarHBondContact O-N 3.37Å
187R98.8Very high98.2Very high7 Ų736.2 Ų36.23%0.02617%0.166CC..Hα-helixtrans-63.3-36.9175.7173-90.4-172.4-99.12.8112.6F23 V24 F48 A117 N119 N184 P191F23-R187 HydrophobicContact CE1-CB 4.05Å; F23-R187 HydrophobicContact CE1-CG 4.19Å; V24-R187 HydrophobicContact CG2-CB 4.15Å; F48-R187 HydrophobicContact CE1-CG 3.97Å; F48-R187 HydrophobicContact CZ-CG 4.46Å; F48-R187 VanDerWaalsContact CZ-NH2 3.3Å; A117-R187 PolarHBondContact O-NH1 2.84Å; N119-R187 WeakPolarHBondContact OD1-CD 3.07Å; N119-R187 PolarHBondContact OD1-NE 2.91Å; N119-R187 PolarHBondContact OD1-NH1 2.98Å; N119-R187 VanDerWaalsContact OD1-NH1 3.09Å; N184-R187 HydrophobicContact CB-CB 3.87Å; N184-R187 PolarHBondContact O-N 3.22Å; N184-R187 VanDerWaalsContact O-N 3.16Å; N184-R187 PolarHBondContact OD1-N 3.41Å; R187-P191 WeakPolarHBondContact O-CD 3.2Å; R187-P191 WeakPolarHBondContact O-CG 2.97Å
188S98.8Very high98.2Very high0 Ų034.2 Ų34.20%016%0.16CC..Hα-helixtrans-78.6-34.2176-57.90000111.8N119 N184 P185 A186 A192 H201N119-S188 WeakPolarHBondContact OD1-CB 3.41Å; N119-S188 PolarHBondContact OD1-OG 3.09Å; N184-S188 PolarHBondContact O-N 3Å; N184-S188 VanDerWaalsContact O-N 3.15Å; P185-S188 PolarHBondContact O-N 2.95Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-S188 PolarHBondContact O-N 3.45Å; S188-A192 WeakPolarHBondContact O-CB 3.35Å; S188-H201 PolarHBondContact O-CE1 3.04Å
189F98.8Very high98.2Very high51 Ų5135 Ų3522%0.22417%0.173CC..Hα-helixtrans-65.6-44.6-179.1174.3-109000112.9C94 L98 P185 A186 A192 V193 F198 H201 W205C94-F189 HydrophobicContact CB-CD1 4.2Å; C94-F189 HydrophobicContact CB-CE1 4.22Å; L98-F189 HydrophobicContact CD1-CE1 3.78Å; L98-F189 HydrophobicContact CD2-CE1 4.33Å; L98-F189 HydrophobicContact CG-CD1 4.38Å; L98-F189 HydrophobicContact CG-CE1 4.06Å; P185-F189 WeakPolarHBondContact O-CB 3.49Å; P185-F189 PolarHBondContact O-N 3.46Å; A186-F189 PolarHBondContact O-N 2.83Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.28Å; F189-V193 HydrophobicContact CD1-CG2 4.26Å; F189-V193 HydrophobicContact CD2-CG2 3.85Å; F189-V193 HydrophobicContact CE1-CG2 3.87Å; F189-V193 HydrophobicContact CE2-CG2 3.4Å; F189-V193 HydrophobicContact CG-CG2 4.26Å; F189-V193 HydrophobicContact CZ-CG2 3.42Å; F189-V193 VanDerWaalsContact CZ-CG2 3.42Å; F189-V193 WeakPolarHBondContact O-CG2 3.4Å; F189-V193 PolarHBondContact O-N 3.2Å; F189-F198 HydrophobicContact CD2-CE1 4.4Å; F189-F198 HydrophobicContact CE2-CE1 4.46Å; F189-H201 VanDerWaalsContact CA-CE1 3.49Å; F189-H201 WeakPolarHBondContact CA-CE1 3.46Å; F189-W205 HydrophobicContact CB-CZ2 4.11Å; F189-W205 HydrophobicContact CD2-CZ2 4.29Å; F189-W205 HydrophobicContact CG-CZ2 4.28Å
190A98.7Very high98.2Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-56.8-57.3-176.300000114.1V24 A97 L98 A101 A186 A192 V193 L194V24-A190 HydrophobicContact CG1-CB 4.27Å; A97-A190 HydrophobicContact CB-CB 3.69Å; A97-A190 VanDerWaalsContact O-CB 3.27Å; A97-A190 WeakPolarHBondContact O-CB 3.36Å; L98-A190 HydrophobicContact CD2-CB 4.3Å; A101-A190 HydrophobicContact CB-CB 3.81Å; A186-A190 PolarHBondContact O-N 3.37Å; A190-A192 VanDerWaalsContact C-N 3.27Å; A190-A192 PolarHBondContact O-N 2.88Å; A190-V193 PolarHBondContact O-N 3.28Å; A190-L194 WeakPolarHBondContact O-CD2 3.5Å; A190-L194 PolarHBondContact O-N 3.09Å; A190-L194 VanDerWaalsContact O-N 3.13Å
191P98.4Very high98.3Very high0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-62.4-35.5177.625.5-32.9000112L28 L116 L118 R187 V193 L194 V195L28-P191 HydrophobicContact CD1-CB 4.3Å; L28-P191 HydrophobicContact CD1-CG 4.29Å; L28-P191 HydrophobicContact CD2-CG 4.26Å; L116-P191 HydrophobicContact CB-CB 4.26Å; L116-P191 WeakPolarHBondContact O-CB 3.43Å; L118-P191 HydrophobicContact CB-CB 4.34Å; L118-P191 HydrophobicContact CD1-CB 4.26Å; L118-P191 HydrophobicContact CD1-CG 4.23Å; R187-P191 WeakPolarHBondContact O-CD 3.2Å; R187-P191 WeakPolarHBondContact O-CG 2.97Å; P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 2.92Å; P191-L194 PolarHBondContact O-N 3.45Å; P191-V195 WeakPolarHBondContact O-CG2 3.45Å; P191-V195 PolarHBondContact O-N 2.72Å
192A98.6Very high98.4Very high0 Ų043.7 Ų43.70%021%0.207CC..Hα-helixtrans-58.7-42.817800000112.6L118 S188 F189 A190 R196 N197 F198L118-A192 HydrophobicContact CD1-CB 3.71Å; S188-A192 WeakPolarHBondContact O-CB 3.35Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.28Å; A190-A192 VanDerWaalsContact C-N 3.27Å; A190-A192 PolarHBondContact O-N 2.88Å; A192-R196 CarbonylContact O-C 3.43Å; A192-R196 VanDerWaalsContact O-CA 3.27Å; A192-R196 WeakPolarHBondContact O-CA 3.48Å; A192-R196 PolarHBondContact O-N 3.46Å; A192-N197 WeakPolarHBondContact CA-O 3.29Å; A192-N197 VanDerWaalsContact CB-O 3.27Å; A192-N197 WeakPolarHBondContact CB-O 3.38Å; A192-N197 PolarHBondContact O-N 3.4Å; A192-F198 HydrophobicContact CB-CD1 3.95Å; A192-F198 HydrophobicContact CB-CE1 3.79Å; A192-F198 HydrophobicContact CB-CZ 4.27Å
193V98.6Very high98.4Very high49 Ų4943.6 Ų43.630%0.29721%0.206SC..Hα-helixtrans-66-49.9175.2171.80000111.2L98 F189 A190 P191 V195 R196 F198L98-V193 HydrophobicContact CD2-CB 3.64Å; L98-V193 HydrophobicContact CD2-CG1 3.67Å; L98-V193 HydrophobicContact CD2-CG2 4.03Å; F189-V193 HydrophobicContact CD1-CG2 4.26Å; F189-V193 HydrophobicContact CD2-CG2 3.85Å; F189-V193 HydrophobicContact CE1-CG2 3.87Å; F189-V193 HydrophobicContact CE2-CG2 3.4Å; F189-V193 HydrophobicContact CG-CG2 4.26Å; F189-V193 HydrophobicContact CZ-CG2 3.42Å; F189-V193 VanDerWaalsContact CZ-CG2 3.42Å; F189-V193 WeakPolarHBondContact O-CG2 3.4Å; F189-V193 PolarHBondContact O-N 3.2Å; A190-V193 PolarHBondContact O-N 3.28Å; P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 2.92Å; V193-V195 PolarHBondContact O-N 3.48Å; V193-R196 PolarHBondContact O-N 2.81Å; V193-F198 HydrophobicContact CB-CZ 4.41Å; V193-F198 HydrophobicContact CG2-CE1 4.27Å; V193-F198 HydrophobicContact CG2-CZ 3.76Å
194L97.8Very high98.4Very high62 Ų6243.5 Ų43.533%0.32521%0.205SC..Hα-helixtrans-65.8-37.3-175.4-82-41.5000112.5L98 A101 L116 A190 P191L98-L194 HydrophobicContact CD2-CD2 3.67Å; A101-L194 HydrophobicContact CB-CD2 3.87Å; L116-L194 HydrophobicContact CD2-CB 4.07Å; L116-L194 HydrophobicContact CD2-CG 4.42Å; A190-L194 WeakPolarHBondContact O-CD2 3.5Å; A190-L194 PolarHBondContact O-N 3.09Å; A190-L194 VanDerWaalsContact O-N 3.13Å; P191-L194 PolarHBondContact O-N 3.45Å
195V97.4Very high98.4Very high48 Ų4846.8 Ų46.829%0.29122%0.217SC..THydrogen-bonded Turntrans-93.22.5177.3-54.40000113.6L116 L118 P191 V193 N197L116-V195 HydrophobicContact CB-CG1 4Å; L118-V195 HydrophobicContact CD2-CG2 4.07Å; P191-V195 WeakPolarHBondContact O-CG2 3.45Å; P191-V195 PolarHBondContact O-N 2.72Å; V193-V195 PolarHBondContact O-N 3.48Å; V195-N197 VanDerWaalsContact C-N 3.25Å; V195-N197 HydrophobicContact CG2-CB 3.91Å; V195-N197 PolarHBondContact O-N 3.45Å
196R98.2Very high98.4Very high224 Ų22449.5 Ų49.585%0.84523%0.233SC*.THydrogen-bonded Turntrans52.338.9-179.5-55.4-177.9-179.7-174.8-0.3113.7A192 V193A192-R196 CarbonylContact O-C 3.43Å; A192-R196 VanDerWaalsContact O-CA 3.27Å; A192-R196 WeakPolarHBondContact O-CA 3.48Å; A192-R196 PolarHBondContact O-N 3.46Å; V193-R196 PolarHBondContact O-N 2.81Å
197N97.9Very high98.4Very high62 Ų6249.5 Ų49.533%0.33223%0.233SC..  trans-126.3113.2-178.9-175.3-12.2000110.6L118 A192 V195 V199L118-N197 HydrophobicContact CD2-CB 3.88Å; A192-N197 WeakPolarHBondContact CA-O 3.29Å; A192-N197 VanDerWaalsContact CB-O 3.27Å; A192-N197 WeakPolarHBondContact CB-O 3.38Å; A192-N197 PolarHBondContact O-N 3.4Å; V195-N197 VanDerWaalsContact C-N 3.25Å; V195-N197 HydrophobicContact CG2-CB 3.91Å; V195-N197 PolarHBondContact O-N 3.45Å; N197-V199 WeakPolarHBondContact OD1-CB 3.46Å; N197-V199 VanDerWaalsContact OD1-CG2 3.3Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.48Å; N197-V199 PolarHBondContact OD1-N 3.39Å
198F98.3Very high98.4Very high102 Ų10249.2 Ų49.245%0.44723%0.232SC..  trans-115.618.5-179.8-66.5-89.1000112.9F189 A192 V193 N200 H201F189-F198 HydrophobicContact CD2-CE1 4.4Å; F189-F198 HydrophobicContact CE2-CE1 4.46Å; A192-F198 HydrophobicContact CB-CD1 3.95Å; A192-F198 HydrophobicContact CB-CE1 3.79Å; A192-F198 HydrophobicContact CB-CZ 4.27Å; V193-F198 HydrophobicContact CB-CZ 4.41Å; V193-F198 HydrophobicContact CG2-CE1 4.27Å; V193-F198 HydrophobicContact CG2-CZ 3.76Å; F198-N200 PolarHBondContact O-N 2.9Å; F198-H201 HydrophobicContact CB-CB 3.98Å; F198-H201 HydrophobicContact CD1-CB 4.07Å; F198-H201 AromaticContact CD1-CD2 3.71Å; F198-H201 AromaticContact CD1-CG 3.76Å; F198-H201 WeakPolarHBondContact O-CB 3.39Å; F198-H201 PolarHBondContact O-N 3.43Å
199V98.1Very high98.4Very high103 Ų10351.2 Ų51.262%0.62424%0.242SC*.THydrogen-bonded Turntrans-58.5125.3177.1175.40000109.3N197 H201N197-V199 WeakPolarHBondContact OD1-CB 3.46Å; N197-V199 VanDerWaalsContact OD1-CG2 3.3Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.48Å; N197-V199 PolarHBondContact OD1-N 3.39Å; V199-H201 PolarHBondContact O-N 2.98Å
200N98.1Very high98.4Very high57 Ų5752.2 Ų52.231%0.30525%0.249SC..THydrogen-bonded Turntrans57.316-176.4-54.2-30.3000114.9L121 L127 F198 W202 V203L121-N200 HydrophobicContact CD1-CB 3.88Å; L127-N200 HydrophobicContact CD2-CB 4.13Å; L127-N200 WeakPolarHBondContact CD2-OD1 3.31Å; F198-N200 PolarHBondContact O-N 2.9Å; N200-W202 PolarHBondContact O-N 2.78Å; N200-W202 VanDerWaalsContact O-N 3.11Å; N200-V203 HydrophobicContact CB-CG2 4.46Å; N200-V203 WeakPolarHBondContact O-CB 3.32Å; N200-V203 WeakPolarHBondContact O-CG2 3.44Å; N200-V203 PolarHBondContact O-N 2.75Å
201H98.5Very high98.4Very high19 Ų1952.2 Ų52.29%0.08825%0.249CC..THydrogen-bonded Turntrans-60.9-29.7-172-170.869.1000113.8S188 F189 F198 V199 V203 Y204 W205S188-H201 PolarHBondContact O-CE1 3.04Å; F189-H201 VanDerWaalsContact CA-CE1 3.49Å; F189-H201 WeakPolarHBondContact CA-CE1 3.46Å; F198-H201 HydrophobicContact CB-CB 3.98Å; F198-H201 HydrophobicContact CD1-CB 4.07Å; F198-H201 AromaticContact CD1-CD2 3.71Å; F198-H201 AromaticContact CD1-CG 3.76Å; F198-H201 WeakPolarHBondContact O-CB 3.39Å; F198-H201 PolarHBondContact O-N 3.43Å; V199-H201 PolarHBondContact O-N 2.98Å; H201-V203 PolarHBondContact O-N 2.84Å; H201-Y204 PolarHBondContact O-N 3.03Å; H201-W205 AromaticContact CD2-CD1 3.6Å; H201-W205 AromaticContact CD2-NE1 3.46Å; H201-W205 PolarHBondContact CD2-NE1 3.11Å; H201-W205 AromaticContact CE1-NE1 3.88Å; H201-W205 AromaticContact NE2-CD1 3.47Å; H201-W205 AromaticContact NE2-NE1 2.91Å; H201-W205 PolarHBondContact NE2-NE1 3.49Å
202W98.5Very high98.5Very high123 Ų12352.2 Ų52.247%0.46625%0.249SC..THydrogen-bonded Turntrans-56.8-30.3177.573.9-93.6000112.7L127 T131 N200 Y204 W205 V206L127-W202 HydrophobicContact CB-CZ2 4.24Å; L127-W202 HydrophobicContact CD1-CZ2 4.46Å; L127-W202 HydrophobicContact CD2-CZ2 4.32Å; T131-W202 HydrophobicContact CG2-CZ3 4.29Å; T131-W202 WeakPolarHBondContact OG1-CH2 3.35Å; N200-W202 PolarHBondContact O-N 2.78Å; N200-W202 VanDerWaalsContact O-N 3.11Å; W202-Y204 PolarHBondContact O-N 3.41Å; W202-W205 PolarHBondContact O-N 3.1Å; W202-W205 VanDerWaalsContact O-N 3.09Å; W202-V206 HydrophobicContact CE3-CB 3.81Å; W202-V206 HydrophobicContact CE3-CG1 4.34Å; W202-V206 HydrophobicContact CE3-CG2 3.71Å; W202-V206 HydrophobicContact CZ3-CB 4.01Å; W202-V206 HydrophobicContact CZ3-CG1 4.07Å; W202-V206 HydrophobicContact CZ3-CG2 4.26Å; W202-V206 WeakPolarHBondContact O-CB 3.2Å; W202-V206 WeakPolarHBondContact O-CG2 3.34Å; W202-V206 PolarHBondContact O-N 2.88Å
203V98.7Very high98.4Very high0 Ų053.1 Ų53.10%026%0.256CS..Hα-helixtrans-57.2-39.8177173.30000110.7L127 A130 E134 N200 H201 W205 G207 P208L127-V203 HydrophobicContact CD2-CG2 4.09Å; A130-V203 HydrophobicContact CB-CG1 4.02Å; E134-V203 HydrophobicContact CG-CG1 4.14Å; N200-V203 HydrophobicContact CB-CG2 4.46Å; N200-V203 WeakPolarHBondContact O-CB 3.32Å; N200-V203 WeakPolarHBondContact O-CG2 3.44Å; N200-V203 PolarHBondContact O-N 2.75Å; H201-V203 PolarHBondContact O-N 2.84Å; V203-W205 VanDerWaalsContact C-N 3.26Å; V203-W205 PolarHBondContact O-N 3.41Å; V203-G207 WeakPolarHBondContact O-CA 3.3Å; V203-G207 PolarHBondContact O-N 3.28Å; V203-P208 WeakPolarHBondContact O-CD 3.47Å
204Y98.7Very high98.4Very high1 Ų154.2 Ų54.20%0.00426%0.26CS..Hα-helixtrans-80.5-4.5-177.5-53.5-65.3000114.2N119 T120 E134 T179 P185 H201 W202 P208N119-Y204 HydrophobicContact CB-CD1 3.88Å; N119-Y204 HydrophobicContact CB-CD2 4.13Å; N119-Y204 HydrophobicContact CB-CE1 3.39Å; N119-Y204 HydrophobicContact CB-CE2 3.7Å; N119-Y204 HydrophobicContact CB-CG 4.22Å; N119-Y204 WeakPolarHBondContact O-CE2 3.49Å; N119-Y204 PolarHBondContact O-OH 3.44Å; T120-Y204 VanDerWaalsContact CA-OH 3.28Å; T120-Y204 WeakPolarHBondContact CA-OH 3.03Å; T120-Y204 PolarHBondContact N-OH 2.82Å; T120-Y204 VanDerWaalsContact N-OH 3.08Å; E134-Y204 HydrophobicContact CG-CD1 4.44Å; T179-Y204 WeakPolarHBondContact O-CE1 3.35Å; T179-Y204 PolarHBondContact O-OH 3.34Å; P185-Y204 WeakPolarHBondContact CA-O 3.39Å; P185-Y204 WeakPolarHBondContact CG-O 3.4Å; H201-Y204 PolarHBondContact O-N 3.03Å; W202-Y204 PolarHBondContact O-N 3.41Å; Y204-P208 WeakPolarHBondContact O-CD 3.28Å; Y204-P208 WeakPolarHBondContact O-CG 3.37Å
205W98.8Very high98.5Very high75 Ų7551.2 Ų51.228%0.28424%0.244SC..Hα-helixtrans-102.1-55.5167.2-74.682.6000110.3P185 F189 H201 W202 V203 M209P185-W205 HydrophobicContact CB-CD2 3.54Å; P185-W205 HydrophobicContact CB-CE3 3.52Å; P185-W205 HydrophobicContact CB-CG 4.13Å; P185-W205 HydrophobicContact CB-CH2 3.94Å; P185-W205 HydrophobicContact CB-CZ2 3.94Å; P185-W205 HydrophobicContact CB-CZ3 3.73Å; P185-W205 HydrophobicContact CG-CD2 4.37Å; P185-W205 HydrophobicContact CG-CE3 4.13Å; F189-W205 HydrophobicContact CB-CZ2 4.11Å; F189-W205 HydrophobicContact CD2-CZ2 4.29Å; F189-W205 HydrophobicContact CG-CZ2 4.28Å; H201-W205 AromaticContact CD2-CD1 3.6Å; H201-W205 AromaticContact CD2-NE1 3.46Å; H201-W205 PolarHBondContact CD2-NE1 3.11Å; H201-W205 AromaticContact CE1-NE1 3.88Å; H201-W205 AromaticContact NE2-CD1 3.47Å; H201-W205 AromaticContact NE2-NE1 2.91Å; H201-W205 PolarHBondContact NE2-NE1 3.49Å; W202-W205 PolarHBondContact O-N 3.1Å; W202-W205 VanDerWaalsContact O-N 3.09Å; V203-W205 VanDerWaalsContact C-N 3.26Å; V203-W205 PolarHBondContact O-N 3.41Å; W205-M209 WeakPolarHBondContact O-CB 3.42Å; W205-M209 WeakPolarHBondContact O-CG 3.46Å; W205-M209 PolarHBondContact O-N 3.36Å
206V98.8Very high98.5Very high57 Ų5749 Ų4935%0.34523%0.231SC..Hα-helixtrans-63.9-48-174.3173.50000111.5T131 W202 M209 I210T131-V206 HydrophobicContact CG2-CG1 4.34Å; W202-V206 HydrophobicContact CE3-CB 3.81Å; W202-V206 HydrophobicContact CE3-CG1 4.34Å; W202-V206 HydrophobicContact CE3-CG2 3.71Å; W202-V206 HydrophobicContact CZ3-CB 4.01Å; W202-V206 HydrophobicContact CZ3-CG1 4.07Å; W202-V206 HydrophobicContact CZ3-CG2 4.26Å; W202-V206 WeakPolarHBondContact O-CB 3.2Å; W202-V206 WeakPolarHBondContact O-CG2 3.34Å; W202-V206 PolarHBondContact O-N 2.88Å; V206-M209 PolarHBondContact O-N 3.49Å; V206-I210 HydrophobicContact CG1-CD1 3.55Å; V206-I210 HydrophobicContact CG1-CG1 4.33Å; V206-I210 WeakPolarHBondContact O-CB 3.22Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.35Å; V206-I210 PolarHBondContact O-N 3.04Å
207G98.8Very high98.4Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-58.1-57.1-179.500000112I135 V203 M209 I210 G211I135-G207 WeakPolarHBondContact CA-O 3.38Å; I135-G207 WeakPolarHBondContact CG1-O 3.46Å; V203-G207 WeakPolarHBondContact O-CA 3.3Å; V203-G207 PolarHBondContact O-N 3.28Å; G207-M209 PolarHBondContact O-N 3.4Å; G207-I210 PolarHBondContact O-N 3.35Å; G207-G211 PolarHBondContact O-N 3.22Å
208P98.9Very high98.4Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-62.8-39.6178.7-28.539.3000114.6A70 E134 T138 P185 V203 Y204 G211 G212A70-P208 HydrophobicContact CB-CB 3.72Å; E134-P208 HydrophobicContact CB-CG 4.43Å; T138-P208 HydrophobicContact CG2-CB 3.97Å; T138-P208 WeakPolarHBondContact CG2-O 3.36Å; T138-P208 VanDerWaalsContact OG1-CA 3.31Å; T138-P208 WeakPolarHBondContact OG1-CA 3.44Å; T138-P208 WeakPolarHBondContact OG1-CB 3.38Å; P185-P208 HydrophobicContact CG-CB 4.22Å; V203-P208 WeakPolarHBondContact O-CD 3.47Å; Y204-P208 WeakPolarHBondContact O-CD 3.28Å; Y204-P208 WeakPolarHBondContact O-CG 3.37Å; P208-G211 PolarHBondContact O-N 3.4Å; P208-G212 PolarHBondContact O-N 2.88Å
209M98.8Very high98.3Very high42 Ų4237.7 Ų37.721%0.20719%0.19CC..Hα-helixtrans-66.5-40.6180-66.2-72.7-76.600111.9A70 F73 W205 V206 G207 A213A70-M209 HydrophobicContact CB-SD 4.35Å; F73-M209 HydrophobicContact CB-CE 3.57Å; F73-M209 HydrophobicContact CB-SD 3.69Å; F73-M209 HydrophobicContact CD1-CB 4.3Å; F73-M209 HydrophobicContact CD1-CE 3.5Å; F73-M209 HydrophobicContact CD1-SD 3.94Å; F73-M209 HydrophobicContact CD2-CE 3.55Å; F73-M209 HydrophobicContact CE1-CB 4.48Å; F73-M209 HydrophobicContact CE1-CE 3.99Å; F73-M209 HydrophobicContact CE2-CE 4.05Å; F73-M209 HydrophobicContact CG-CE 3.24Å; F73-M209 HydrophobicContact CG-SD 3.89Å; F73-M209 HydrophobicContact CZ-CE 4.25Å; W205-M209 WeakPolarHBondContact O-CB 3.42Å; W205-M209 WeakPolarHBondContact O-CG 3.46Å; W205-M209 PolarHBondContact O-N 3.36Å; V206-M209 PolarHBondContact O-N 3.49Å; G207-M209 PolarHBondContact O-N 3.4Å; M209-A213 WeakPolarHBondContact O-CB 3.31Å; M209-A213 PolarHBondContact O-N 2.98Å
210I98.8Very high98.1Very high72 Ų7233 Ų3337%0.36916%0.162SC..Hα-helixtrans-66.5-48.1173.7-69174.1000110.2I135 V206 G207 G212 A213 I214I135-I210 HydrophobicContact CD1-CB 4.29Å; I135-I210 HydrophobicContact CD1-CG2 3.85Å; I135-I210 HydrophobicContact CG1-CB 4.09Å; I135-I210 HydrophobicContact CG1-CG2 3.97Å; I135-I210 HydrophobicContact CG2-CG2 4.35Å; V206-I210 HydrophobicContact CG1-CD1 3.55Å; V206-I210 HydrophobicContact CG1-CG1 4.33Å; V206-I210 WeakPolarHBondContact O-CB 3.22Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.35Å; V206-I210 PolarHBondContact O-N 3.04Å; G207-I210 PolarHBondContact O-N 3.35Å; I210-G212 VanDerWaalsContact C-N 3.3Å; I210-G212 PolarHBondContact O-N 3.34Å; I210-A213 PolarHBondContact O-N 3.21Å; I210-I214 HydrophobicContact CG2-CD1 3.62Å; I210-I214 HydrophobicContact CG2-CG1 4.26Å; I210-I214 VanDerWaalsContact O-CG1 3.3Å; I210-I214 WeakPolarHBondContact O-CG1 3.48Å; I210-I214 PolarHBondContact O-N 3.39Å
211G98.8Very high97.9Very high0 Ų035.3 Ų35.30%017%0.169CC..Hα-helixtrans-57.1-43.1177.700000112.6I135 L139 G207 P208 I214 G215I135-G211 WeakPolarHBondContact O-CA 3.18Å; L139-G211 WeakPolarHBondContact CA-O 3.18Å; G207-G211 PolarHBondContact O-N 3.22Å; P208-G211 PolarHBondContact O-N 3.4Å; G211-I214 PolarHBondContact O-N 2.79Å; G211-G215 PolarHBondContact O-N 3.31Å
212G98.6Very high97.7Very high0 Ų040.3 Ų40.30%020%0.196CC..Hα-helixtrans-67.6-41.3176.500000113.5A74 P208 I210 G215 A216A74-G212 WeakPolarHBondContact CB-O 3.27Å; P208-G212 PolarHBondContact O-N 2.88Å; I210-G212 VanDerWaalsContact C-N 3.3Å; I210-G212 PolarHBondContact O-N 3.34Å; G212-G215 PolarHBondContact O-N 2.87Å; G212-A216 WeakPolarHBondContact O-CB 3.27Å; G212-A216 PolarHBondContact O-N 3.17Å
213A98.6Very high97.6Very high19 Ų1939 Ų3916%0.15720%0.198CC..Hα-helixtrans-61.6-47173.900000111.7F73 I77 M209 I210 G215 A216 L217F73-A213 HydrophobicContact CE1-CB 4.04Å; I77-A213 HydrophobicContact CG1-CB 4.4Å; M209-A213 WeakPolarHBondContact O-CB 3.31Å; M209-A213 PolarHBondContact O-N 2.98Å; I210-A213 PolarHBondContact O-N 3.21Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.42Å; A213-A216 PolarHBondContact O-N 3.27Å; A213-L217 WeakPolarHBondContact O-CB 3.41Å; A213-L217 VanDerWaalsContact O-CG 3.26Å; A213-L217 WeakPolarHBondContact O-CG 3.32Å; A213-L217 PolarHBondContact O-N 3.14Å
214I98.6Very high97.3Very high72 Ų7243.1 Ų43.137%0.36922%0.216SC..Hα-helixtrans-61.5-43.8176.7-64.5169.6000110.4I135 L139 I210 G211 A216 L217 L218I135-I214 HydrophobicContact CG2-CD1 4.19Å; L139-I214 HydrophobicContact CD1-CB 4.17Å; L139-I214 HydrophobicContact CD1-CG2 3.52Å; L139-I214 HydrophobicContact CG-CG2 4.3Å; I210-I214 HydrophobicContact CG2-CD1 3.62Å; I210-I214 HydrophobicContact CG2-CG1 4.26Å; I210-I214 VanDerWaalsContact O-CG1 3.3Å; I210-I214 WeakPolarHBondContact O-CG1 3.48Å; I210-I214 PolarHBondContact O-N 3.39Å; G211-I214 PolarHBondContact O-N 2.79Å; I214-A216 PolarHBondContact O-N 3.2Å; I214-L217 PolarHBondContact O-N 3.34Å; I214-L218 WeakPolarHBondContact O-CB 3.48Å; I214-L218 PolarHBondContact O-N 2.9Å
215G98.4Very high97Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-59.8-45.3178.300000112.8G211 G212 A213 Y219G211-G215 PolarHBondContact O-N 3.31Å; G212-G215 PolarHBondContact O-N 2.87Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.42Å; G215-Y219 WeakPolarHBondContact O-CB 3.28Å; G215-Y219 PolarHBondContact O-N 3.05Å
216A97.3Very high96.5Very high1 Ų145.1 Ų45.11%0.00823%0.232CC..Hα-helixtrans-61.6-48.3175.400000111.8A74 I77 F146 G212 A213 I214 Y219 D220A74-A216 HydrophobicContact CB-CB 4.11Å; A74-A216 WeakPolarHBondContact O-CB 3.44Å; I77-A216 HydrophobicContact CG2-CB 4.34Å; F146-A216 HydrophobicContact CE2-CB 3.61Å; F146-A216 HydrophobicContact CZ-CB 3.62Å; G212-A216 WeakPolarHBondContact O-CB 3.27Å; G212-A216 PolarHBondContact O-N 3.17Å; A213-A216 PolarHBondContact O-N 3.27Å; I214-A216 PolarHBondContact O-N 3.2Å; A216-Y219 PolarHBondContact O-N 3.01Å; A216-D220 WeakPolarHBondContact O-CB 3.45Å; A216-D220 PolarHBondContact O-N 3.28Å
217L96.9Very high95.8Very high81 Ų8151.2 Ų51.242%0.42426%0.259SS..Hα-helixtrans-63.4-44179.4-67.7176.8000111.8I77 A213 I214 Y219 F221I77-L217 HydrophobicContact CG2-CD2 3.96Å; I77-L217 HydrophobicContact CG2-CG 4.13Å; A213-L217 WeakPolarHBondContact O-CB 3.41Å; A213-L217 VanDerWaalsContact O-CG 3.26Å; A213-L217 WeakPolarHBondContact O-CG 3.32Å; A213-L217 PolarHBondContact O-N 3.14Å; I214-L217 PolarHBondContact O-N 3.34Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 3.11Å; L217-F221 HydrophobicContact CB-CD2 4.46Å; L217-F221 HydrophobicContact CD2-CD2 3.86Å; L217-F221 HydrophobicContact CD2-CE2 3.48Å; L217-F221 VanDerWaalsContact CD2-CE2 3.48Å; L217-F221 HydrophobicContact CD2-CZ 4.39Å; L217-F221 VanDerWaalsContact O-CB 3.3Å; L217-F221 WeakPolarHBondContact O-CB 3.49Å; L217-F221 WeakPolarHBondContact O-CD2 3.42Å; L217-F221 PolarHBondContact O-N 3.07Å
218L97.8Very high95.1Very high55 Ų5553.9 Ų53.929%0.28827%0.269SS..Hα-helixtrans-59.8-44.9178.2176.866.2000110.9L139 V143 I214 L222 L223L139-L218 HydrophobicContact CD2-CD2 4.31Å; V143-L218 HydrophobicContact CG2-CD2 4.05Å; I214-L218 WeakPolarHBondContact O-CB 3.48Å; I214-L218 PolarHBondContact O-N 2.9Å; L218-L222 HydrophobicContact CD1-CB 4.26Å; L218-L222 HydrophobicContact CD1-CD2 3.74Å; L218-L222 WeakPolarHBondContact O-CB 3.34Å; L218-L222 PolarHBondContact O-N 3.36Å; L218-L222 VanDerWaalsContact O-N 3.16Å; L218-L223 HydrophobicContact CD1-CG 4.26Å; L218-L223 HydrophobicContact CD2-CD1 4.2Å; L218-L223 HydrophobicContact CG-CD1 3.89Å; L218-L223 HydrophobicContact CG-CG 4.07Å; L218-L223 PolarHBondContact O-N 3.17Å
219Y96.9Very high94.5Very high15 Ų1555.7 Ų55.76%0.05929%0.288CS..Iπ-helixtrans-70.4-54.1179.5-169.1-94000112.2F146 A147 D150 G215 A216 L217 F221 L223 F224F146-Y219 HydrophobicContact CB-CD1 3.67Å; F146-Y219 HydrophobicContact CB-CD2 4.29Å; F146-Y219 HydrophobicContact CB-CE1 4.1Å; F146-Y219 HydrophobicContact CB-CG 3.76Å; F146-Y219 AromaticContact CD2-CD1 3.93Å; F146-Y219 HydrophobicContact CD2-CD1 3.93Å; F146-Y219 HydrophobicContact CD2-CG 4.3Å; F146-Y219 HydrophobicContact CG-CD1 4.33Å; A147-Y219 HydrophobicContact CB-CD2 4.28Å; A147-Y219 HydrophobicContact CB-CE2 3.57Å; D150-Y219 HydrophobicContact CB-CE1 4.21Å; D150-Y219 WeakPolarHBondContact CB-OH 3.41Å; D150-Y219 WeakPolarHBondContact OD2-CE1 3.25Å; D150-Y219 PolarHBondContact OD2-OH 3.16Å; G215-Y219 WeakPolarHBondContact O-CB 3.28Å; G215-Y219 PolarHBondContact O-N 3.05Å; A216-Y219 PolarHBondContact O-N 3.01Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 3.11Å; Y219-F221 VanDerWaalsContact C-N 3.35Å; Y219-F221 PolarHBondContact O-N 3.29Å; Y219-L223 HydrophobicContact CD2-CB 4.42Å; Y219-L223 HydrophobicContact CD2-CD1 4.47Å; Y219-F224 HydrophobicContact CE1-CB 4.18Å; Y219-F224 HydrophobicContact CE2-CB 4.18Å; Y219-F224 CarbonylContact O-C 3.51Å; Y219-F224 PolarHBondContact O-N 3.04Å
220D93.8Very high94Very high4 Ų460 Ų602%0.02131%0.311CS..Iπ-helixtrans-76.9-15.6-170.5-78.5-18.5000114.2G78 Q80 A216 P225 R226G78-D220 WeakPolarHBondContact CA-OD2 3.46Å; Q80-D220 PolarHBondContact NE2-OD1 3.14Å; Q80-D220 PolarHBondContact NE2-OD2 3.06Å; Q80-D220 VanDerWaalsContact NE2-OD2 3.15Å; A216-D220 WeakPolarHBondContact O-CB 3.45Å; A216-D220 PolarHBondContact O-N 3.28Å; D220-P225 CarbonylContact O-C 3.57Å; D220-P225 VanDerWaalsContact O-CA 3.24Å; D220-P225 WeakPolarHBondContact O-CA 3.39Å; D220-R226 PolarHBondContact O-N 3.08Å
221F93.1Very high93.6Very high105 Ų10561.1 Ų61.146%0.46133%0.325SS..Iπ-helixtrans-118.1-22179.7-66.7-95.1000114.9L217 Y219 R233L217-F221 HydrophobicContact CB-CD2 4.46Å; L217-F221 HydrophobicContact CD2-CD2 3.86Å; L217-F221 HydrophobicContact CD2-CE2 3.48Å; L217-F221 VanDerWaalsContact CD2-CE2 3.48Å; L217-F221 HydrophobicContact CD2-CZ 4.39Å; L217-F221 VanDerWaalsContact O-CB 3.3Å; L217-F221 WeakPolarHBondContact O-CB 3.49Å; L217-F221 WeakPolarHBondContact O-CD2 3.42Å; L217-F221 PolarHBondContact O-N 3.07Å; Y219-F221 VanDerWaalsContact C-N 3.35Å; Y219-F221 PolarHBondContact O-N 3.29Å; F221-R233 VanDerWaalsContact CE1-NH2 3.32Å; F221-R233 VanDerWaalsContact CZ-NH2 3.26Å
222L94.9Very high93.1Very high124 Ų12465.2 Ų65.265%0.64935%0.345SS*.Iπ-helixtrans-118.2-58.3-176.6-17264000112.7L218L218-L222 HydrophobicContact CD1-CB 4.26Å; L218-L222 HydrophobicContact CD1-CD2 3.74Å; L218-L222 WeakPolarHBondContact O-CB 3.34Å; L218-L222 PolarHBondContact O-N 3.36Å; L218-L222 VanDerWaalsContact O-N 3.16Å
223L95.3Very high92.7Very high97 Ų9767.5 Ų67.551%0.50835%0.353SS..Iπ-helixtrans-73.6-46.3-171.2-62.3176.5000112.7V143 L218 Y219V143-L223 HydrophobicContact CG1-CD1 4.16Å; L218-L223 HydrophobicContact CD1-CG 4.26Å; L218-L223 HydrophobicContact CD2-CD1 4.2Å; L218-L223 HydrophobicContact CG-CD1 3.89Å; L218-L223 HydrophobicContact CG-CG 4.07Å; L218-L223 PolarHBondContact O-N 3.17Å; Y219-L223 HydrophobicContact CD2-CB 4.42Å; Y219-L223 HydrophobicContact CD2-CD1 4.47Å
224F94.1Very high92.3Very high86 Ų8670.5 Ų70.538%0.37737%0.366SS..SBendtrans-143.275.5178.9-160.7-123.7000111.2D150 R152 Y219 R226D150-F224 WeakPolarHBondContact OD2-CD1 3.13Å; R152-F224 HydrophobicContact CB-CE1 3.65Å; R152-F224 HydrophobicContact CB-CZ 4.24Å; R152-F224 VanDerWaalsContact NH2-CD1 3.31Å; R152-F224 PolarHBondContact NH2-O 2.68Å; Y219-F224 HydrophobicContact CE1-CB 4.18Å; Y219-F224 HydrophobicContact CE2-CB 4.18Å; Y219-F224 CarbonylContact O-C 3.51Å; Y219-F224 PolarHBondContact O-N 3.04Å; F224-R226 PolarHBondContact O-N 3.29Å
225P92.3Very high92Very high69 Ų6968.6 Ų68.645%0.44836%0.361SS..  trans-54.6132.4-165.4-28.635.7000113.7R152 D220R152-P225 PolarHBondContact NH1-O 2.97Å; D220-P225 CarbonylContact O-C 3.57Å; D220-P225 VanDerWaalsContact O-CA 3.24Å; D220-P225 WeakPolarHBondContact O-CA 3.39Å
226R87.8Confident91.6Very high48 Ų4870.5 Ų70.518%0.18137%0.373CS..  trans-104.399.3173-164-176.8-76-100.3-6.7109.2D150 D220 F224 R228D150-R226 IonicContact OD1-NH2 3.4Å; D150-R226 PolarHBondContact OD1-NH2 3.45Å; D150-R226 VanDerWaalsContact OD1-NH2 3.08Å; D150-R226 IonicContact OD2-NH2 3.07Å; D150-R226 PolarHBondContact OD2-NH2 3.4Å; D220-R226 PolarHBondContact O-N 3.08Å; F224-R226 PolarHBondContact O-N 3.29Å; R226-R228 VanDerWaalsContact C-N 3.33Å; R226-R228 HydrophobicContact CG-CG 4.13Å; R226-R228 PolarHBondContact O-N 3.02Å
227M83Confident91.4Very high186 Ų18672.7 Ų72.792%0.91638%0.384SS*.  trans-75.882.7-178.9-60.9-135.6-62.500110.9
228R84.2Confident91.1Very high55 Ų5576.3 Ų76.321%0.20840%0.396CS..  trans-104.6130.4170.4-68.2-172.6164.1148.36.1111S79 R226 E232 R233S79-R228 PolarHBondContact O-NH1 3.34Å; R226-R228 VanDerWaalsContact C-N 3.33Å; R226-R228 HydrophobicContact CG-CG 4.13Å; R226-R228 PolarHBondContact O-N 3.02Å; R228-E232 WeakPolarHBondContact CD-OE1 3.37Å; R228-E232 WeakPolarHBondContact CG-OE1 3.22Å; R228-E232 WeakPolarHBondContact CG-OE2 3.43Å; R228-E232 IonicContact NE-OE1 3.08Å; R228-E232 PolarHBondContact NE-OE1 2.93Å; R228-R233 HydrophobicContact CB-CG 3.88Å; R228-R233 PolarHBondContact O-NE 3.36Å; R228-R233 VanDerWaalsContact O-NE 3.14Å
229G87.6Confident90.6Very high38 Ų3874.1 Ų74.139%0.39239%0.387SS..  trans-64.6159.4172.700000112.3S231 E232 R233G229-S231 VanDerWaalsContact C-N 3.26Å; G229-S231 PolarHBondContact O-N 3.35Å; G229-E232 PolarHBondContact O-N 3.01Å; G229-R233 WeakPolarHBondContact O-CG 3.29Å; G229-R233 PolarHBondContact O-N 2.88Å
230L87.7Confident89.9Confident132 Ų13277 Ų7769%0.69141%0.407SS*.Hα-helixtrans-59-39.4179.6-173.672.1000111.9R233 L234L230-R233 PolarHBondContact O-N 3.39Å; L230-L234 HydrophobicContact CD2-CD1 4.41Å; L230-L234 HydrophobicContact CG-CD1 3.99Å; L230-L234 HydrophobicContact CG-CG 4.45Å; L230-L234 WeakPolarHBondContact O-CB 3.47Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.22Å; L230-L234 PolarHBondContact O-N 3.41Å
231S89.7Confident88.5Confident96 Ų9680.9 Ų80.967%0.67142%0.421SS*.Hα-helixtrans-60.4-45.717749.30000112.2G229 L234 A235G229-S231 VanDerWaalsContact C-N 3.26Å; G229-S231 PolarHBondContact O-N 3.35Å; S231-L234 PolarHBondContact O-N 2.94Å; S231-A235 WeakPolarHBondContact O-CB 3.43Å; S231-A235 PolarHBondContact O-N 3.18Å
232E88.7Confident87Confident87 Ų8779.3 Ų79.341%0.40742%0.421SS..Hα-helixtrans-65.9-40.6178.6-168.2-166.3156.800111.9R228 G229 A235 T236R228-E232 WeakPolarHBondContact CD-OE1 3.37Å; R228-E232 WeakPolarHBondContact CG-OE1 3.22Å; R228-E232 WeakPolarHBondContact CG-OE2 3.43Å; R228-E232 IonicContact NE-OE1 3.08Å; R228-E232 PolarHBondContact NE-OE1 2.93Å; G229-E232 PolarHBondContact O-N 3.01Å; E232-A235 WeakPolarHBondContact O-CB 3.4Å; E232-A235 PolarHBondContact O-N 3.37Å; E232-T236 PolarHBondContact O-N 2.94Å; E232-T236 PolarHBondContact O-OG1 3.42Å
233R89.5Confident85.1Confident48 Ų4878.3 Ų78.318%0.18142%0.422CS..Hα-helixtrans-62.2-48.4174.8-68.7173.5179.1-114.53.7110.9F221 R228 G229 L230 A235 T236 L237F221-R233 VanDerWaalsContact CE1-NH2 3.32Å; F221-R233 VanDerWaalsContact CZ-NH2 3.26Å; R228-R233 HydrophobicContact CB-CG 3.88Å; R228-R233 PolarHBondContact O-NE 3.36Å; R228-R233 VanDerWaalsContact O-NE 3.14Å; G229-R233 WeakPolarHBondContact O-CG 3.29Å; G229-R233 PolarHBondContact O-N 2.88Å; L230-R233 PolarHBondContact O-N 3.39Å; R233-A235 VanDerWaalsContact C-N 3.33Å; R233-A235 PolarHBondContact O-N 3.21Å; R233-T236 PolarHBondContact O-N 3.06Å; R233-L237 VanDerWaalsContact O-CG 3.3Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 2.58Å
234L91.1Very high83.1Confident82 Ų8281.2 Ų81.243%0.42943%0.433SS..Hα-helixtrans-63.5-38.9177.9-73.4171.4000112.2L230 S231 L237 K238L230-L234 HydrophobicContact CD2-CD1 4.41Å; L230-L234 HydrophobicContact CG-CD1 3.99Å; L230-L234 HydrophobicContact CG-CG 4.45Å; L230-L234 WeakPolarHBondContact O-CB 3.47Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.22Å; L230-L234 PolarHBondContact O-N 3.41Å; S231-L234 PolarHBondContact O-N 2.94Å; L234-L237 PolarHBondContact O-N 2.84Å; L234-K238 WeakPolarHBondContact O-CB 3.42Å; L234-K238 VanDerWaalsContact O-CG 3.3Å; L234-K238 WeakPolarHBondContact O-CG 3.41Å; L234-K238 PolarHBondContact O-N 3.13Å
235A91.2Very high81.1Confident32 Ų3278.6 Ų78.626%0.26443%0.427SS..Hα-helixtrans-59.3-49.6174.200000111.1S231 E232 R233 L237 K238 G239 T240S231-A235 WeakPolarHBondContact O-CB 3.43Å; S231-A235 PolarHBondContact O-N 3.18Å; E232-A235 WeakPolarHBondContact O-CB 3.4Å; E232-A235 PolarHBondContact O-N 3.37Å; R233-A235 VanDerWaalsContact C-N 3.33Å; R233-A235 PolarHBondContact O-N 3.21Å; A235-L237 PolarHBondContact O-N 3.42Å; A235-K238 PolarHBondContact O-N 3.24Å; A235-G239 PolarHBondContact O-N 3.29Å; A235-G239 VanDerWaalsContact O-N 3.08Å; A235-T240 VanDerWaalsContact C-OG1 3.25Å; A235-T240 VanDerWaalsContact CA-OG1 3.23Å; A235-T240 WeakPolarHBondContact CA-OG1 3.17Å; A235-T240 WeakPolarHBondContact CB-OG1 3.18Å; A235-T240 PolarHBondContact O-N 3.16Å; A235-T240 PolarHBondContact O-OG1 2.89Å
236T91.8Very high79.1Confident40 Ų4080.4 Ų80.425%0.24543%0.43CS..Hα-helixtrans-60.4-46.7177.5-53.60000111.7S79 S82 E232 R233 K238 G239S79-T236 VanDerWaalsContact O-CG2 3.26Å; S79-T236 WeakPolarHBondContact O-CG2 3.39Å; S82-T236 VanDerWaalsContact CA-O 3.28Å; S82-T236 WeakPolarHBondContact CA-O 3.47Å; S82-T236 WeakPolarHBondContact CB-O 3.3Å; E232-T236 PolarHBondContact O-N 2.94Å; E232-T236 PolarHBondContact O-OG1 3.42Å; R233-T236 PolarHBondContact O-N 3.06Å; T236-K238 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.28Å; T236-G239 WeakPolarHBondContact O-CA 3.39Å; T236-G239 PolarHBondContact O-N 2.97Å
237L92.3Very high77.1Confident47 Ų4780.7 Ų80.725%0.24644%0.442CS..Hα-helixtrans-63.2-37.4179.9-69.8173.3000112.8L76 M83 R233 L234 A235 G239L76-L237 HydrophobicContact CD1-CD2 3.53Å; L76-L237 HydrophobicContact CG-CD2 4.26Å; L76-L237 WeakPolarHBondContact O-CD2 3.41Å; M83-L237 PolarHBondContact N-O 3.04Å; R233-L237 VanDerWaalsContact O-CG 3.3Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 2.58Å; L234-L237 PolarHBondContact O-N 2.84Å; A235-L237 PolarHBondContact O-N 3.42Å; L237-G239 PolarHBondContact O-N 3.5Å
238K91.5Very high75.3Confident156 Ų15678.6 Ų78.668%0.67843%0.43SS*.Hα-helixtrans-72.8-13.3173.7-73.3177.7-179.1-178.30113L234 A235 T236 T240L234-K238 WeakPolarHBondContact O-CB 3.42Å; L234-K238 VanDerWaalsContact O-CG 3.3Å; L234-K238 WeakPolarHBondContact O-CG 3.41Å; L234-K238 PolarHBondContact O-N 3.13Å; A235-K238 PolarHBondContact O-N 3.24Å; T236-K238 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.28Å; K238-T240 VanDerWaalsContact C-N 3.33Å; K238-T240 HydrophobicContact CB-CG2 4.25Å
239G86.8Confident73.6Confident10 Ų1081 Ų8110%0.10344%0.444CS..THydrogen-bonded Turntrans63.238.8-17200000111.5W2 A235 T236 L237W2-G239 PolarHBondContact NE1-O 3.3Å; A235-G239 PolarHBondContact O-N 3.29Å; A235-G239 VanDerWaalsContact O-N 3.08Å; T236-G239 WeakPolarHBondContact O-CA 3.39Å; T236-G239 PolarHBondContact O-N 2.97Å; L237-G239 PolarHBondContact O-N 3.5Å
240T82.4Confident71.7Confident76 Ų7686.7 Ų86.747%0.46646%0.46SS..PPolyproline II helixtrans-66.2144169.348.50000109.5A235 K238A235-T240 VanDerWaalsContact C-OG1 3.25Å; A235-T240 VanDerWaalsContact CA-OG1 3.23Å; A235-T240 WeakPolarHBondContact CA-OG1 3.17Å; A235-T240 WeakPolarHBondContact CB-OG1 3.18Å; A235-T240 PolarHBondContact O-N 3.16Å; A235-T240 PolarHBondContact O-OG1 2.89Å; K238-T240 VanDerWaalsContact C-N 3.33Å; K238-T240 HydrophobicContact CB-CG2 4.25Å
241R64.6Low69.6Low85 Ų8584.7 Ų84.732%0.32145%0.454SS..PPolyproline II helixtrans-63.9136.4178.6-78.2-179.8172.9-178-16.3110.4W2W2-R241 HydrophobicContact CD2-CG 3.66Å; W2-R241 HydrophobicContact CE3-CG 4.33Å; W2-R241 HydrophobicContact CG-CG 3.89Å; W2-R241 HydrophobicContact CH2-CG 4.48Å; W2-R241 HydrophobicContact CZ2-CG 3.86Å
242P61.2Low67.5Low71 Ų7190.8 Ų90.846%0.46146%0.462SS..PPolyproline II helixtrans-66.4144.6164.323.9-25.3000109.3E244 A245P242-E244 PolarHBondContact O-N 3.31Å; P242-E244 VanDerWaalsContact O-N 3.14Å; P242-A245 HydrophobicContact CG-CB 4.18Å; P242-A245 WeakPolarHBondContact O-CB 3.39Å; P242-A245 PolarHBondContact O-N 3.05Å
243P55.4Low65.3Low103 Ų10389.8 Ų89.867%0.66948%0.475SS*.Hα-helixtrans-55.2-33.1-177.9-24.833.2000113.7A245 E246 A247P243-A245 VanDerWaalsContact C-N 3.26Å; P243-A245 PolarHBondContact O-N 3.46Å; P243-E246 WeakPolarHBondContact O-CB 3.29Å; P243-E246 PolarHBondContact O-N 3.22Å; P243-E246 VanDerWaalsContact O-N 3.11Å; P243-A247 PolarHBondContact O-N 3.18Å
244E53.1Low63.2Low159 Ų15994.6 Ų94.674%0.74350%0.5SS*.Hα-helixtrans-63.7-28.6179.2-65.2172.4175.700113.3P242 E246 Q248P242-E244 PolarHBondContact O-N 3.31Å; P242-E244 VanDerWaalsContact O-N 3.14Å; E244-E246 VanDerWaalsContact C-N 3.34Å; E244-Q248 PolarHBondContact O-N 2.99Å; E244-Q248 VanDerWaalsContact O-N 3.12Å
245A50.6Low60.7Low30 Ų3095.6 Ų95.625%0.24851%0.514CS..Hα-helixtrans-76.2-22.5176.900000112.6P242 P243 Q249P242-A245 HydrophobicContact CG-CB 4.18Å; P242-A245 WeakPolarHBondContact O-CB 3.39Å; P242-A245 PolarHBondContact O-N 3.05Å; P243-A245 VanDerWaalsContact C-N 3.26Å; P243-A245 PolarHBondContact O-N 3.46Å; A245-Q249 PolarHBondContact O-N 2.75Å
246E50.5Low58.4Low108 Ų108101.9 Ų101.951%0.50554%0.541SS..Hα-helixtrans-73.6-44.8171.9-65.8-179.816100110P243 E244 Q248 Q249 E250P243-E246 WeakPolarHBondContact O-CB 3.29Å; P243-E246 PolarHBondContact O-N 3.22Å; P243-E246 VanDerWaalsContact O-N 3.11Å; E244-E246 VanDerWaalsContact C-N 3.34Å; E246-Q248 VanDerWaalsContact C-N 3.34Å; E246-Q248 PolarHBondContact O-N 3.26Å; E246-Q249 PolarHBondContact O-N 3.34Å; E246-Q249 VanDerWaalsContact O-N 3.1Å; E246-E250 PolarHBondContact O-N 3.41Å
247A45.4Very low56Low54 Ų54108 Ų10845%0.44657%0.567SS.*Hα-helixtrans-61-38.7175.800000113.1P243 T251P243-A247 PolarHBondContact O-N 3.18Å; A247-T251 PolarHBondContact O-N 2.9Å; A247-T251 PolarHBondContact O-OG1 3.27Å
248Q45.5Very low53.6Low141 Ų141113.6 Ų113.666%0.65960%0.596SS**Hα-helixtrans-72.5-26.3174.8-78.5-177.9-6.900113.7E244 E246 T251 R252E244-Q248 PolarHBondContact O-N 2.99Å; E244-Q248 VanDerWaalsContact O-N 3.12Å; E246-Q248 VanDerWaalsContact C-N 3.34Å; E246-Q248 PolarHBondContact O-N 3.26Å; Q248-T251 VanDerWaalsContact CA-OG1 3.29Å; Q248-T251 WeakPolarHBondContact CA-OG1 3.49Å; Q248-T251 PolarHBondContact O-OG1 2.94Å; Q248-R252 VanDerWaalsContact O-CB 3.23Å; Q248-R252 WeakPolarHBondContact O-CB 3.39Å; Q248-R252 PolarHBondContact O-N 3.42Å; Q248-R252 VanDerWaalsContact O-N 3.08Å
249Q49.9Very low51Low106 Ų106116.1 Ų116.150%0.49561%0.607SS.*Hα-helixtrans-78.8-34.6174.6-110.6-171.3-45.600112.3A245 E246 R252 G253A245-Q249 PolarHBondContact O-N 2.75Å; E246-Q249 PolarHBondContact O-N 3.34Å; E246-Q249 VanDerWaalsContact O-N 3.1Å; Q249-R252 PolarHBondContact O-N 2.92Å; Q249-G253 PolarHBondContact O-N 2.95Å; Q249-G253 VanDerWaalsContact O-N 3.12Å
250E46.6Very low48.8Very low158 Ų158121 Ų12174%0.73864%0.636SS**Hα-helixtrans-61.6-46.5170.5-75.8-176.9161.400111E246 R252 G253E246-E250 PolarHBondContact O-N 3.41Å; E250-R252 VanDerWaalsContact C-N 3.34Å; E250-R252 PolarHBondContact O-N 3.5Å; E250-G253 PolarHBondContact O-N 2.96Å
251T43.4Very low46.5Very low90 Ų90126.2 Ų126.255%0.55265%0.654SS**Hα-helixtrans-68.3-29.1176.728.10000113.7A247 Q248 G253 E254A247-T251 PolarHBondContact O-N 2.9Å; A247-T251 PolarHBondContact O-OG1 3.27Å; Q248-T251 VanDerWaalsContact CA-OG1 3.29Å; Q248-T251 WeakPolarHBondContact CA-OG1 3.49Å; Q248-T251 PolarHBondContact O-OG1 2.94Å; T251-G253 VanDerWaalsContact C-N 3.3Å; T251-E254 PolarHBondContact O-N 2.88Å
252R45Very low45Very low223 Ų223126.4 Ų126.484%0.84267%0.674SS**Hα-helixtrans-80.3-11.3175.7-160.7175.6-177.4178.33.3113.4Q248 Q249 E250 E254Q248-R252 VanDerWaalsContact O-CB 3.23Å; Q248-R252 WeakPolarHBondContact O-CB 3.39Å; Q248-R252 PolarHBondContact O-N 3.42Å; Q248-R252 VanDerWaalsContact O-N 3.08Å; Q249-R252 PolarHBondContact O-N 2.92Å; E250-R252 VanDerWaalsContact C-N 3.34Å; E250-R252 PolarHBondContact O-N 3.5Å; R252-E254 VanDerWaalsContact C-N 3.28Å
253G43.8Very low43.9Very low67 Ų67135.1 Ų135.169%0.69172%0.716SS**THydrogen-bonded Turntrans-73.7-19.7168.500000113.1Q249 E250 T251 S255Q249-G253 PolarHBondContact O-N 2.95Å; Q249-G253 VanDerWaalsContact O-N 3.12Å; E250-G253 PolarHBondContact O-N 2.96Å; T251-G253 VanDerWaalsContact C-N 3.3Å; G253-S255 PolarHBondContact O-N 3.17Å
254E44.6Very low43.3Very low148 Ų148136.7 Ų136.769%0.69272%0.718SS**SBendtrans-80.6104.9166.3-70.5-176160.200108.7T251 R252 I256T251-E254 PolarHBondContact O-N 2.88Å; R252-E254 VanDerWaalsContact C-N 3.28Å; E254-I256 PolarHBondContact O-N 2.89Å; E254-I256 VanDerWaalsContact O-N 3.11Å
255S38.3Very low42.8Very low104 Ų104135.5 Ų135.573%0.72772%0.717SS**  trans-51.2114.7177.744.20000111.5G253 E257G253-S255 PolarHBondContact O-N 3.17Å; S255-E257 PolarHBondContact O-N 3.3Å
256I44.7Very low42.4Very low164 Ų164141.4 Ų141.484%0.84174%0.743SS**  trans-71.489.2162.8-59.6174.8000106.5E254 L258E254-I256 PolarHBondContact O-N 2.89Å; E254-I256 VanDerWaalsContact O-N 3.11Å; I256-L258 PolarHBondContact O-N 3.38Å
257E39.5Very low41.9Very low167 Ų167143.4 Ų143.478%0.7876%0.757SS**  trans-51.5127.6153.7-80-174.9153.100107.9S255 K259S255-E257 PolarHBondContact O-N 3.3Å; E257-K259 PolarHBondContact O-N 3.22Å
258L43.3Very low41.7Very low166 Ų166148.9 Ų148.987%0.86978%0.776SS**  trans-48.2100.4174.2-87.5133.7000110.3I256 T260I256-L258 PolarHBondContact O-N 3.38Å; L258-T260 PolarHBondContact O-N 3.12Å; L258-T260 VanDerWaalsContact O-N 3.07Å
259K35.5Very low41.5Very low209 Ų209149.5 Ų149.591%0.90978%0.784SS**  trans-75.696.6160.6-83.3-174.6175.2177.80108.5E257E257-K259 PolarHBondContact O-N 3.22Å
260T41.5Very low40.9Very low113 Ų113152.6 Ų152.669%0.69380%0.804SS**  trans-56.3153159.7-35.50000110.7L258L258-T260 PolarHBondContact O-N 3.12Å; L258-T260 VanDerWaalsContact O-N 3.07Å
261Q33.4Very low40.4Very low184 Ų184152.2 Ų152.286%0.8681%0.81SS**  trans79.5134166.8-50.6-176.8-22.200114.8
262A34.9Very low40.2Very low90 Ų90157.3 Ų157.374%0.74483%0.831SS**  cis-163.4159.71600000110.4
263L37.6Very low39.7Very low253 Ų253151.4 Ų151.4100%1.32583%0.83SS**  trans680161.8-69.2161.4000118.7

Retrieved 263 of 263 residues in 2195.4 ms (Link to these results)

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