A0A5K4F539_SCHMA Loading...

G-protein coupled receptors family 1 profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F539, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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
1M69.7Low79.6Confident194 Ų19472 Ų7296%0.95639%0.39SS*.  0-60.10-75.6178.219.500111.3Q3 I4 T5M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.48Å; M1-I4 PolarHBondContact O-N 2.93Å; M1-T5 PolarHBondContact O-N 3.35Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.1Å
2I76Confident79.9Confident110 Ų11073.2 Ų73.256%0.56440%0.401SS*.Hα-helixtrans-50.7-47.1-178.8-64.1173000112.8I4 T5 F6I2-I4 PolarHBondContact O-N 3.33Å; I2-T5 WeakPolarHBondContact O-CB 3.44Å; I2-T5 PolarHBondContact O-N 3.27Å; I2-T5 VanDerWaalsContact O-N 3.12Å; I2-F6 HydrophobicContact CG2-CD2 3.67Å; I2-F6 HydrophobicContact CG2-CE2 3.28Å; I2-F6 HydrophobicContact CG2-CZ 4.22Å; I2-F6 WeakPolarHBondContact O-CD2 3.48Å; I2-F6 PolarHBondContact O-N 2.99Å
3Q76.7Confident79.6Confident12 Ų1268.2 Ų68.26%0.05637%0.374CS..Hα-helixtrans-53.1-52.1175.4-178.662.532.400113.1M1 T5 F6 D7 I59M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.48Å; Q3-T5 PolarHBondContact O-N 3.15Å; Q3-F6 PolarHBondContact O-N 3.48Å; Q3-F6 VanDerWaalsContact O-N 3.11Å; Q3-D7 PolarHBondContact NE2-OD1 3.41Å; Q3-D7 PolarHBondContact NE2-OD2 3.25Å; Q3-D7 VanDerWaalsContact O-CG 3.31Å; Q3-D7 PolarHBondContact O-N 3.49Å; Q3-I59 HydrophobicContact CB-CD1 4.15Å
4I78.9Confident79.5Confident104 Ų10469.5 Ų69.553%0.53338%0.376SS..Hα-helixtrans-60.6-37.5-179.7-62.8167000110.1M1 I2 T8M1-I4 PolarHBondContact O-N 2.93Å; I2-I4 PolarHBondContact O-N 3.33Å; I4-T8 WeakPolarHBondContact O-CB 3.45Å; I4-T8 PolarHBondContact O-N 2.92Å; I4-T8 PolarHBondContact O-OG1 3.48Å
5T81.9Confident79.3Confident79 Ų7971.5 Ų71.549%0.48539%0.385SS..Hα-helixtrans-62.7-46.3175.8-530000111.4M1 I2 Q3 T8 L9M1-T5 PolarHBondContact O-N 3.35Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.1Å; I2-T5 WeakPolarHBondContact O-CB 3.44Å; I2-T5 PolarHBondContact O-N 3.27Å; I2-T5 VanDerWaalsContact O-N 3.12Å; Q3-T5 PolarHBondContact O-N 3.15Å; T5-T8 WeakPolarHBondContact O-CB 3.33Å; T5-T8 PolarHBondContact O-N 3.37Å; T5-L9 HydrophobicContact CG2-CD1 4.31Å; T5-L9 VanDerWaalsContact O-CG 3.31Å; T5-L9 WeakPolarHBondContact O-CG 3.01Å; T5-L9 PolarHBondContact O-N 2.99Å
6F82.3Confident78.9Confident32 Ų3267.9 Ų67.914%0.1437%0.371CS..Hα-helixtrans-67.7-42.1177.7-69.3-52.8000112.8I2 Q3 T8 L9 V10 F51 T52 S55 Y85I2-F6 HydrophobicContact CG2-CD2 3.67Å; I2-F6 HydrophobicContact CG2-CE2 3.28Å; I2-F6 HydrophobicContact CG2-CZ 4.22Å; I2-F6 WeakPolarHBondContact O-CD2 3.48Å; I2-F6 PolarHBondContact O-N 2.99Å; Q3-F6 PolarHBondContact O-N 3.48Å; Q3-F6 VanDerWaalsContact O-N 3.11Å; F6-T8 PolarHBondContact O-N 3.41Å; F6-L9 HydrophobicContact CD1-CD1 4.06Å; F6-L9 CarbonylContact O-C 3.56Å; F6-L9 WeakPolarHBondContact O-CA 3.26Å; F6-L9 WeakPolarHBondContact O-CB 3.41Å; F6-L9 PolarHBondContact O-N 2.87Å; F6-V10 WeakPolarHBondContact O-CG2 3.48Å; F6-V10 PolarHBondContact O-N 3.1Å; F6-F51 HydrophobicContact CD1-CB 3.73Å; F6-F51 AromaticContact CD1-CD2 3.92Å; F6-F51 HydrophobicContact CD1-CD2 3.92Å; F6-F51 HydrophobicContact CD1-CG 4.33Å; F6-F51 HydrophobicContact CD2-CB 4.15Å; F6-F51 HydrophobicContact CE1-CB 3.82Å; F6-F51 AromaticContact CE1-CD2 3.43Å; F6-F51 HydrophobicContact CE1-CD2 3.43Å; F6-F51 VanDerWaalsContact CE1-CD2 3.43Å; F6-F51 HydrophobicContact CE1-CE2 4.28Å; F6-F51 HydrophobicContact CE1-CG 4.01Å; F6-F51 HydrophobicContact CE2-CB 4.17Å; F6-F51 HydrophobicContact CG-CB 3.92Å; F6-F51 HydrophobicContact CZ-CB 4.03Å; F6-F51 AromaticContact CZ-CD2 3.99Å; F6-F51 HydrophobicContact CZ-CD2 3.99Å; F6-F51 HydrophobicContact CZ-CG 4.25Å; F6-T52 WeakPolarHBondContact CB-OG1 3.33Å; F6-S55 WeakPolarHBondContact CD2-OG 3.47Å; F6-S55 WeakPolarHBondContact CE2-OG 3.26Å; F6-Y85 AromaticContact CE2-CE1 3.82Å; F6-Y85 HydrophobicContact CE2-CE1 3.82Å; F6-Y85 AromaticContact CE2-CZ 4Å; F6-Y85 AromaticContact CZ-CE1 3.98Å; F6-Y85 HydrophobicContact CZ-CE1 3.98Å
7D78.1Confident78.2Confident46 Ų4666.2 Ų66.225%0.24636%0.361CS..Hα-helixtrans-60.9-36.7175.1-63.5-20.3000111.2Q3 V10 C11 T52Q3-D7 PolarHBondContact NE2-OD1 3.41Å; Q3-D7 PolarHBondContact NE2-OD2 3.25Å; Q3-D7 VanDerWaalsContact O-CG 3.31Å; Q3-D7 PolarHBondContact O-N 3.49Å; D7-V10 PolarHBondContact O-N 3.09Å; D7-C11 PolarHBondContact O-N 3.23Å; D7-C11 PolarHBondContact O-SG 2.92Å; D7-C11 VanDerWaalsContact O-SG 3.37Å; D7-T52 VanDerWaalsContact OD1-CG2 3.23Å; D7-T52 WeakPolarHBondContact OD1-CG2 3.34Å; D7-T52 PolarHBondContact OD1-OG1 2.82Å
8T83.5Confident77.7Confident74 Ų7471.8 Ų71.845%0.45438%0.381SS..Hα-helixtrans-65.9-43.2173-54.70000111.3I4 T5 F6 V10 C11 V12I4-T8 WeakPolarHBondContact O-CB 3.45Å; I4-T8 PolarHBondContact O-N 2.92Å; I4-T8 PolarHBondContact O-OG1 3.48Å; T5-T8 WeakPolarHBondContact O-CB 3.33Å; T5-T8 PolarHBondContact O-N 3.37Å; F6-T8 PolarHBondContact O-N 3.41Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 3.36Å; T8-C11 WeakPolarHBondContact O-CB 3.45Å; T8-C11 PolarHBondContact O-N 3.12Å; T8-V12 HydrophobicContact CG2-CG2 4.41Å; T8-V12 VanDerWaalsContact O-CG2 3.28Å; T8-V12 WeakPolarHBondContact O-CG2 3.3Å; T8-V12 PolarHBondContact O-N 3.47Å
9L85.5Confident77.1Confident60 Ų6074.4 Ų74.431%0.31439%0.389SS..Hα-helixtrans-65.1-36.1177.5-72.6171.3000112.3T5 F6 V12 S13 F48T5-L9 HydrophobicContact CG2-CD1 4.31Å; T5-L9 VanDerWaalsContact O-CG 3.31Å; T5-L9 WeakPolarHBondContact O-CG 3.01Å; T5-L9 PolarHBondContact O-N 2.99Å; F6-L9 HydrophobicContact CD1-CD1 4.06Å; F6-L9 CarbonylContact O-C 3.56Å; F6-L9 WeakPolarHBondContact O-CA 3.26Å; F6-L9 WeakPolarHBondContact O-CB 3.41Å; F6-L9 PolarHBondContact O-N 2.87Å; L9-V12 PolarHBondContact O-N 3.05Å; L9-S13 WeakPolarHBondContact O-CB 3.29Å; L9-S13 PolarHBondContact O-N 3.47Å; L9-S13 PolarHBondContact O-OG 3.48Å; L9-F48 HydrophobicContact CB-CB 4.44Å; L9-F48 HydrophobicContact CB-CD1 4.09Å; L9-F48 HydrophobicContact CB-CD2 3.85Å; L9-F48 HydrophobicContact CB-CE1 4.28Å; L9-F48 HydrophobicContact CB-CE2 4.05Å; L9-F48 HydrophobicContact CB-CG 3.88Å; L9-F48 HydrophobicContact CB-CZ 4.27Å; L9-F48 HydrophobicContact CD1-CD1 4.27Å; L9-F48 HydrophobicContact CD1-CE1 4.04Å; L9-F48 HydrophobicContact CD1-CZ 4.43Å; L9-F48 HydrophobicContact CD2-CZ 4.39Å; L9-F48 WeakPolarHBondContact O-CD2 3.45Å
10V81.7Confident76.2Confident13 Ų1371.7 Ų71.78%0.07938%0.377CS..Hα-helixtrans-60.4-50.2170.2171.20000110.3F6 D7 T8 V12 S13 Q14 F48 N49F6-V10 WeakPolarHBondContact O-CG2 3.48Å; F6-V10 PolarHBondContact O-N 3.1Å; D7-V10 PolarHBondContact O-N 3.09Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 3.36Å; V10-V12 VanDerWaalsContact C-N 3.31Å; V10-V12 PolarHBondContact O-N 3.27Å; V10-S13 PolarHBondContact O-N 2.94Å; V10-S13 PolarHBondContact O-OG 3.36Å; V10-Q14 HydrophobicContact CG1-CG 4.36Å; V10-Q14 WeakPolarHBondContact O-CB 3.38Å; V10-Q14 VanDerWaalsContact O-CG 3.28Å; V10-Q14 WeakPolarHBondContact O-CG 3.3Å; V10-Q14 PolarHBondContact O-N 3.03Å; V10-F48 HydrophobicContact CB-CB 4.5Å; V10-F48 VanDerWaalsContact CG2-C 3.48Å; V10-F48 HydrophobicContact CG2-CB 3.55Å; V10-N49 WeakPolarHBondContact CG1-OD1 3.3Å; V10-N49 WeakPolarHBondContact CG2-OD1 3.28Å
11C81.7Confident75.3Confident68 Ų6873.1 Ų73.146%0.45939%0.39SS..Hα-helixtrans-59-43.9177.1-72.70000111.7D7 T8 Q14 I15D7-C11 PolarHBondContact O-N 3.23Å; D7-C11 PolarHBondContact O-SG 2.92Å; D7-C11 VanDerWaalsContact O-SG 3.37Å; T8-C11 WeakPolarHBondContact O-CB 3.45Å; T8-C11 PolarHBondContact O-N 3.12Å; C11-Q14 PolarHBondContact O-N 2.8Å; C11-I15 WeakPolarHBondContact O-CB 3.39Å; C11-I15 WeakPolarHBondContact O-CD1 3.38Å; C11-I15 WeakPolarHBondContact O-CG1 3.46Å; C11-I15 PolarHBondContact O-N 3.45Å
12V82.9Confident74.6Confident86 Ų8669.4 Ų69.452%0.52138%0.378SS..Hα-helixtrans-64.5-40.7178170.80000111.4T8 L9 V10 G16T8-V12 HydrophobicContact CG2-CG2 4.41Å; T8-V12 VanDerWaalsContact O-CG2 3.28Å; T8-V12 WeakPolarHBondContact O-CG2 3.3Å; T8-V12 PolarHBondContact O-N 3.47Å; L9-V12 PolarHBondContact O-N 3.05Å; V10-V12 VanDerWaalsContact C-N 3.31Å; V10-V12 PolarHBondContact O-N 3.27Å; V12-G16 VanDerWaalsContact O-CA 3.32Å; V12-G16 WeakPolarHBondContact O-CA 3.35Å; V12-G16 PolarHBondContact O-N 3.02Å
13S76.3Confident73.6Confident8 Ų869.8 Ų69.86%0.05638%0.38CS..Hα-helixtrans-71-34.7178.570.30000112.3L9 V10 G16 N17L9-S13 WeakPolarHBondContact O-CB 3.29Å; L9-S13 PolarHBondContact O-N 3.47Å; L9-S13 PolarHBondContact O-OG 3.48Å; V10-S13 PolarHBondContact O-N 2.94Å; V10-S13 PolarHBondContact O-OG 3.36Å; S13-G16 CarbonylContact O-C 3.39Å; S13-G16 WeakPolarHBondContact O-CA 3.31Å; S13-N17 WeakPolarHBondContact O-CB 3.47Å; S13-N17 VanDerWaalsContact O-CG 3.28Å; S13-N17 PolarHBondContact O-N 2.85Å; S13-N17 PolarHBondContact O-OD1 3.11Å
14Q77.1Confident72.7Confident87 Ų8773.7 Ų73.741%0.40740%0.401SS..Hα-helixtrans-71.6-44.8175.6-71.9178.14.400112.8V10 C11 G16 N17 K18 N45V10-Q14 HydrophobicContact CG1-CG 4.36Å; V10-Q14 WeakPolarHBondContact O-CB 3.38Å; V10-Q14 VanDerWaalsContact O-CG 3.28Å; V10-Q14 WeakPolarHBondContact O-CG 3.3Å; V10-Q14 PolarHBondContact O-N 3.03Å; C11-Q14 PolarHBondContact O-N 2.8Å; Q14-G16 VanDerWaalsContact C-N 3.26Å; Q14-N17 PolarHBondContact O-N 2.97Å; Q14-K18 PolarHBondContact O-N 3.42Å; Q14-N45 WeakPolarHBondContact CG-OD1 3.39Å
15I77.4Confident71.9Confident99 Ų9975.8 Ų75.851%0.50841%0.412SS..Hα-helixtrans-58.7-49.9172-71.4166.5000107.9C11 N17 K18 F19C11-I15 WeakPolarHBondContact O-CB 3.39Å; C11-I15 WeakPolarHBondContact O-CD1 3.38Å; C11-I15 WeakPolarHBondContact O-CG1 3.46Å; C11-I15 PolarHBondContact O-N 3.45Å; I15-N17 PolarHBondContact O-N 3.38Å; I15-K18 PolarHBondContact O-N 3.41Å; I15-F19 HydrophobicContact CG2-CD2 3.92Å; I15-F19 HydrophobicContact CG2-CE2 3.94Å; I15-F19 WeakPolarHBondContact O-CD2 3.3Å
16G71.9Confident71.3Confident15 Ų1573.4 Ų73.416%0.15540%0.397CS..Hα-helixtrans-36-77.7166.400000108.4V12 S13 Q14 K18 F19 C20 W39V12-G16 VanDerWaalsContact O-CA 3.32Å; V12-G16 WeakPolarHBondContact O-CA 3.35Å; V12-G16 PolarHBondContact O-N 3.02Å; S13-G16 CarbonylContact O-C 3.39Å; S13-G16 WeakPolarHBondContact O-CA 3.31Å; Q14-G16 VanDerWaalsContact C-N 3.26Å; G16-K18 PolarHBondContact O-N 3.21Å; G16-F19 PolarHBondContact O-N 2.85Å; G16-C20 PolarHBondContact O-N 3.32Å; G16-W39 WeakPolarHBondContact O-CH2 3.34Å; G16-W39 WeakPolarHBondContact O-CZ2 3.46Å
17N67.8Low70.6Confident38 Ų3878.4 Ų78.420%0.20343%0.433CS..Hα-helixtrans-40.8-35.8-169.1-81.7-2.6000115.3S13 Q14 I15 W39S13-N17 WeakPolarHBondContact O-CB 3.47Å; S13-N17 VanDerWaalsContact O-CG 3.28Å; S13-N17 PolarHBondContact O-N 2.85Å; S13-N17 PolarHBondContact O-OD1 3.11Å; Q14-N17 PolarHBondContact O-N 2.97Å; I15-N17 PolarHBondContact O-N 3.38Å; N17-W39 HydrophobicContact CB-CZ2 4.4Å; N17-W39 VanDerWaalsContact N-CH2 3.34Å; N17-W39 PolarHBondContact O-NE1 3.34Å; N17-W39 VanDerWaalsContact O-NE1 3.15Å
18K68.7Low70.3Confident168 Ų16880.6 Ų80.673%0.7344%0.442SS*.Hα-helixtrans-71.4-28.3178-66-177.8178.9-178.90114.6Q14 I15 G16Q14-K18 PolarHBondContact O-N 3.42Å; I15-K18 PolarHBondContact O-N 3.41Å; G16-K18 PolarHBondContact O-N 3.21Å
19F66.2Low69.6Low121 Ų12183.4 Ų83.453%0.53145%0.452SS..Hα-helixtrans-103.8-24.6-168.4-76.3-63.3000115.6I15 G16 P21 V22 L23I15-F19 HydrophobicContact CG2-CD2 3.92Å; I15-F19 HydrophobicContact CG2-CE2 3.94Å; I15-F19 WeakPolarHBondContact O-CD2 3.3Å; G16-F19 PolarHBondContact O-N 2.85Å; F19-P21 VanDerWaalsContact C-CD 3.45Å; F19-V22 WeakPolarHBondContact O-CB 3.3Å; F19-V22 PolarHBondContact O-N 3.33Å; F19-L23 HydrophobicContact CB-CD1 3.95Å
20C59.8Low68.8Low20 Ų2088.2 Ų88.214%0.13547%0.466CS..Hα-helixtrans-68.1-26.1-177.9-170.70000116.6G16 V22 L23 I35 W39G16-C20 PolarHBondContact O-N 3.32Å; C20-V22 PolarHBondContact O-N 2.96Å; C20-L23 PolarHBondContact O-N 2.92Å; C20-I35 VanDerWaalsContact SG-CG2 3.57Å; C20-W39 HydrophobicContact CB-CD2 3.57Å; C20-W39 HydrophobicContact CB-CE3 4.12Å; C20-W39 HydrophobicContact CB-CG 4Å; C20-W39 HydrophobicContact CB-CH2 3.44Å; C20-W39 VanDerWaalsContact CB-CH2 3.44Å; C20-W39 HydrophobicContact CB-CZ2 2.86Å; C20-W39 HydrophobicContact CB-CZ3 4.1Å
21P56.4Low68.4Low101 Ų10189.6 Ų89.666%0.65647%0.472SS*.Hα-helixtrans-60.2-12.317023-31.5000112.6F19F19-P21 VanDerWaalsContact C-CD 3.45Å
22V54.9Low67.7Low117 Ų11787.4 Ų87.471%0.70946%0.456SS*.Hα-helixtrans-104.4-21.2-175.2-172.60000113.7F19 C20F19-V22 WeakPolarHBondContact O-CB 3.3Å; F19-V22 PolarHBondContact O-N 3.33Å; C20-V22 PolarHBondContact O-N 2.96Å
23L55.5Low67.1Low117 Ų11786.3 Ų86.361%0.61345%0.446SS*.Hα-helixtrans-115.5-16.9-155.4-87.6157.8000118.6F19 C20F19-L23 HydrophobicContact CB-CD1 3.95Å; C20-L23 PolarHBondContact O-N 2.92Å
24L58.6Low66.9Low95 Ų9590.3 Ų90.350%0.49747%0.467SS..  trans-135.278.6-169.8-83.2131.3000113.5T26 I35L24-T26 HydrophobicContact CD2-CG2 3.95Å; L24-T26 PolarHBondContact O-N 3.49Å; L24-I35 HydrophobicContact CD2-CD1 4.4Å
25I62Low66.6Low147 Ų14788.2 Ų88.275%0.75446%0.458SS*.  trans-8895156-58174.2000106.5
26T68.6Low66.3Low29 Ų2983.7 Ų83.718%0.17844%0.435CS..  trans-86.1152.5168.777.60000109.5L24 Q28 I31 N32L24-T26 HydrophobicContact CD2-CG2 3.95Å; L24-T26 PolarHBondContact O-N 3.49Å; T26-Q28 PolarHBondContact O-N 3.16Å; T26-Q28 PolarHBondContact OG1-N 2.92Å; T26-Q28 PolarHBondContact OG1-O 3.42Å; T26-I31 HydrophobicContact CG2-CG2 4.12Å; T26-N32 WeakPolarHBondContact CB-OD1 3.01Å; T26-N32 PolarHBondContact N-OD1 3.35Å; T26-N32 PolarHBondContact O-ND2 2.87Å; T26-N32 PolarHBondContact OG1-OD1 2.81Å
27P68.2Low66.1Low137 Ų13785.1 Ų85.189%0.8944%0.437SS*.SBendtrans-68.1-9.6173.827.7-34.5000112.9
28Q72.4Confident66.1Low93 Ų9386.4 Ų86.444%0.43544%0.443SS..  trans-96.4102.3-177.6-64.8-174.36.900110.1T26 W30 I31 N32T26-Q28 PolarHBondContact O-N 3.16Å; T26-Q28 PolarHBondContact OG1-N 2.92Å; T26-Q28 PolarHBondContact OG1-O 3.42Å; Q28-W30 PolarHBondContact O-N 2.91Å; Q28-W30 VanDerWaalsContact O-N 3.17Å; Q28-I31 HydrophobicContact CB-CB 4.18Å; Q28-I31 HydrophobicContact CB-CD1 4.04Å; Q28-I31 HydrophobicContact CB-CG1 3.97Å; Q28-I31 PolarHBondContact O-N 3.3Å; Q28-N32 PolarHBondContact O-N 3.23Å; Q28-N32 VanDerWaalsContact O-N 3.16Å
29M67.9Low66Low133 Ų13381 Ų8166%0.65542%0.418SS*.Hα-helixtrans-54.7-38.1-177.3-168-177.8-169.200112.7I31 N32 I33M29-I31 PolarHBondContact O-N 3.36Å; M29-N32 PolarHBondContact O-N 2.91Å; M29-I33 HydrophobicContact CG-CD1 4.09Å; M29-I33 VanDerWaalsContact O-CG1 3.26Å; M29-I33 WeakPolarHBondContact O-CG1 3.32Å; M29-I33 PolarHBondContact O-N 3.39Å
30W69.9Low65.7Low161 Ų16177.1 Ų77.161%0.6141%0.405SS*.Hα-helixtrans-65.9-34.717970.1-93.6000113.1Q28 I33 L34Q28-W30 PolarHBondContact O-N 2.91Å; Q28-W30 VanDerWaalsContact O-N 3.17Å; W30-I33 PolarHBondContact O-N 3.45Å; W30-L34 WeakPolarHBondContact O-CB 3.3Å; W30-L34 PolarHBondContact O-N 3.46Å
31I72Confident65.7Low42 Ų4276.3 Ų76.322%0.21540%0.4CS..Hα-helixtrans-67.6-45.6174.1-68-173.6000109.3T26 Q28 M29 I33 L34 I35T26-I31 HydrophobicContact CG2-CG2 4.12Å; Q28-I31 HydrophobicContact CB-CB 4.18Å; Q28-I31 HydrophobicContact CB-CD1 4.04Å; Q28-I31 HydrophobicContact CB-CG1 3.97Å; Q28-I31 PolarHBondContact O-N 3.3Å; M29-I31 PolarHBondContact O-N 3.36Å; I31-I33 VanDerWaalsContact C-N 3.27Å; I31-I33 PolarHBondContact O-N 3.32Å; I31-L34 PolarHBondContact O-N 3.24Å; I31-I35 HydrophobicContact CG2-CD1 3.45Å; I31-I35 VanDerWaalsContact CG2-CD1 3.45Å; I31-I35 HydrophobicContact CG2-CG1 4.02Å; I31-I35 WeakPolarHBondContact O-CB 3.48Å; I31-I35 VanDerWaalsContact O-CG1 3.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.33Å; I31-I35 PolarHBondContact O-N 2.94Å
32N68.1Low66.3Low21 Ų2176 Ų7611%0.11239%0.389CS..Hα-helixtrans-60.1-41.5178.4-63.3-12.7000110.4T26 Q28 M29 C36 I105T26-N32 WeakPolarHBondContact CB-OD1 3.01Å; T26-N32 PolarHBondContact N-OD1 3.35Å; T26-N32 PolarHBondContact O-ND2 2.87Å; T26-N32 PolarHBondContact OG1-OD1 2.81Å; Q28-N32 PolarHBondContact O-N 3.23Å; Q28-N32 VanDerWaalsContact O-N 3.16Å; M29-N32 PolarHBondContact O-N 2.91Å; N32-C36 WeakPolarHBondContact O-CB 3.48Å; N32-C36 PolarHBondContact O-N 3.4Å; N32-I105 HydrophobicContact CB-CD1 3.87Å
33I69.7Low67.1Low64 Ų6472.4 Ų72.433%0.32836%0.364SS..Hα-helixtrans-61.7-48.9176.1-69.8167.9000111.1M29 W30 I31 C36 H37 I105M29-I33 HydrophobicContact CG-CD1 4.09Å; M29-I33 VanDerWaalsContact O-CG1 3.26Å; M29-I33 WeakPolarHBondContact O-CG1 3.32Å; M29-I33 PolarHBondContact O-N 3.39Å; W30-I33 PolarHBondContact O-N 3.45Å; I31-I33 VanDerWaalsContact C-N 3.27Å; I31-I33 PolarHBondContact O-N 3.32Å; I33-C36 WeakPolarHBondContact O-CB 3.33Å; I33-C36 PolarHBondContact O-N 3.16Å; I33-H37 VanDerWaalsContact CG2-CD2 3.42Å; I33-H37 WeakPolarHBondContact CG2-CD2 3.34Å; I33-H37 PolarHBondContact O-CD2 3.42Å; I33-H37 PolarHBondContact O-N 3.34Å; I33-I105 HydrophobicContact CB-CD1 4.26Å; I33-I105 HydrophobicContact CG1-CD1 3.5Å; I33-I105 VanDerWaalsContact CG1-CD1 3.5Å; I33-I105 HydrophobicContact CG1-CG1 4.3Å
34L71.6Confident68Low91 Ų9169.2 Ų69.248%0.47635%0.347SS..Hα-helixtrans-66-44.7-178.3-179.6138000111.8W30 I31 C36 H37 I38W30-L34 WeakPolarHBondContact O-CB 3.3Å; W30-L34 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 3.24Å; L34-C36 VanDerWaalsContact C-N 3.32Å; L34-C36 PolarHBondContact O-N 2.86Å; L34-H37 PolarHBondContact O-N 2.97Å; L34-I38 HydrophobicContact CD2-CD1 3.46Å; L34-I38 VanDerWaalsContact CD2-CD1 3.46Å; L34-I38 HydrophobicContact CG-CD1 3.8Å; L34-I38 WeakPolarHBondContact O-CB 3.49Å; L34-I38 WeakPolarHBondContact O-CG1 3.23Å; L34-I38 PolarHBondContact O-N 2.94Å
35I70.7Confident68.8Low44 Ų4465.9 Ų65.923%0.22633%0.33CS..Hα-helixtrans-60.4-47173.9-68.3175.8000109.3C20 L24 I31 H37 I38 W39C20-I35 VanDerWaalsContact SG-CG2 3.57Å; L24-I35 HydrophobicContact CD2-CD1 4.4Å; I31-I35 HydrophobicContact CG2-CD1 3.45Å; I31-I35 VanDerWaalsContact CG2-CD1 3.45Å; I31-I35 HydrophobicContact CG2-CG1 4.02Å; I31-I35 WeakPolarHBondContact O-CB 3.48Å; I31-I35 VanDerWaalsContact O-CG1 3.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.33Å; I31-I35 PolarHBondContact O-N 2.94Å; I35-H37 PolarHBondContact O-N 3.03Å; I35-I38 PolarHBondContact O-N 3.29Å; I35-W39 WeakPolarHBondContact O-CB 3.36Å; I35-W39 PolarHBondContact O-N 3.47Å
36C70.4Confident69.5Low3 Ų361 Ų612%0.0231%0.306CS..Hα-helixtrans-52.6-57.2177.2-162.90000110.7N32 I33 L34 I38 W39 T40 V103 I105 C111N32-C36 WeakPolarHBondContact O-CB 3.48Å; N32-C36 PolarHBondContact O-N 3.4Å; I33-C36 WeakPolarHBondContact O-CB 3.33Å; I33-C36 PolarHBondContact O-N 3.16Å; L34-C36 VanDerWaalsContact C-N 3.32Å; L34-C36 PolarHBondContact O-N 2.86Å; C36-I38 PolarHBondContact O-N 3.4Å; C36-W39 PolarHBondContact O-N 2.94Å; C36-W39 VanDerWaalsContact O-N 3.11Å; C36-T40 WeakPolarHBondContact O-CB 3.47Å; C36-T40 WeakPolarHBondContact O-CG2 3.34Å; C36-T40 PolarHBondContact O-N 2.91Å; C36-T40 PolarHBondContact O-OG1 3.47Å; C36-V103 WeakPolarHBondContact SG-CG1 3.46Å; C36-I105 HydrophobicContact CB-CG1 4.46Å; C36-C111 WeakPolarHBondContact CA-SG 3.45Å; C36-C111 HydrophobicContact CB-CB 4.33Å; C36-C111 WeakPolarHBondContact CB-SG 3.46Å; C36-C111 VanDerWaalsContact SG-CA 3.52Å; C36-C111 WeakPolarHBondContact SG-CB 3.43Å; C36-C111 CovalentContact SG-SG 2.01Å; C36-C111 PolarHBondContact SG-SG 3.32Å
37H69Low70.1Confident46 Ų4660.6 Ų60.621%0.21330%0.302CS..Hα-helixtrans-63.6-38.7-178.7-72.9-59.1000113.7I33 L34 I35 W39 S41 I100 V103I33-H37 VanDerWaalsContact CG2-CD2 3.42Å; I33-H37 WeakPolarHBondContact CG2-CD2 3.34Å; I33-H37 PolarHBondContact O-CD2 3.42Å; I33-H37 PolarHBondContact O-N 3.34Å; L34-H37 PolarHBondContact O-N 2.97Å; I35-H37 PolarHBondContact O-N 3.03Å; H37-W39 PolarHBondContact O-N 3.49Å; H37-S41 WeakPolarHBondContact O-CB 3.49Å; H37-S41 PolarHBondContact O-OG 3.39Å; H37-I100 PolarHBondContact CE1-O 3.48Å; H37-I100 PolarHBondContact ND1-O 3.26Å; H37-V103 PolarHBondContact CE1-O 3.29Å
38I67.9Low70.8Confident64 Ų6455.6 Ų55.633%0.32827%0.267SS..Hα-helixtrans-66.9-31.8177.1-70.9173.1000110.9L34 I35 C36 S41 L44L34-I38 HydrophobicContact CD2-CD1 3.46Å; L34-I38 VanDerWaalsContact CD2-CD1 3.46Å; L34-I38 HydrophobicContact CG-CD1 3.8Å; L34-I38 WeakPolarHBondContact O-CB 3.49Å; L34-I38 WeakPolarHBondContact O-CG1 3.23Å; L34-I38 PolarHBondContact O-N 2.94Å; I35-I38 PolarHBondContact O-N 3.29Å; C36-I38 PolarHBondContact O-N 3.4Å; I38-S41 PolarHBondContact O-OG 2.96Å; I38-L44 HydrophobicContact CG2-CD1 3.45Å; I38-L44 VanDerWaalsContact CG2-CD1 3.45Å; I38-L44 HydrophobicContact CG2-CD2 4.18Å; I38-L44 HydrophobicContact CG2-CG 3.59Å
39W65.4Low71.1Confident54 Ų5453.4 Ų53.421%0.20526%0.258CS..Hα-helixtrans-91.6-53.8-170.1-169.2-92.5000114.4G16 N17 C20 I35 C36 H37 S41 E42G16-W39 WeakPolarHBondContact O-CH2 3.34Å; G16-W39 WeakPolarHBondContact O-CZ2 3.46Å; N17-W39 HydrophobicContact CB-CZ2 4.4Å; N17-W39 VanDerWaalsContact N-CH2 3.34Å; N17-W39 PolarHBondContact O-NE1 3.34Å; N17-W39 VanDerWaalsContact O-NE1 3.15Å; C20-W39 HydrophobicContact CB-CD2 3.57Å; C20-W39 HydrophobicContact CB-CE3 4.12Å; C20-W39 HydrophobicContact CB-CG 4Å; C20-W39 HydrophobicContact CB-CH2 3.44Å; C20-W39 VanDerWaalsContact CB-CH2 3.44Å; C20-W39 HydrophobicContact CB-CZ2 2.86Å; C20-W39 HydrophobicContact CB-CZ3 4.1Å; I35-W39 WeakPolarHBondContact O-CB 3.36Å; I35-W39 PolarHBondContact O-N 3.47Å; C36-W39 PolarHBondContact O-N 2.94Å; C36-W39 VanDerWaalsContact O-N 3.11Å; H37-W39 PolarHBondContact O-N 3.49Å; W39-S41 PolarHBondContact O-N 3.37Å; W39-E42 PolarHBondContact O-N 2.97Å
40T61.7Low71.6Confident41 Ų4147.6 Ų47.625%0.25223%0.23SC..Hα-helixtrans-65.8-23.4-179.754.80000112.2C36 E42 V103 C111C36-T40 WeakPolarHBondContact O-CB 3.47Å; C36-T40 WeakPolarHBondContact O-CG2 3.34Å; C36-T40 PolarHBondContact O-N 2.91Å; C36-T40 PolarHBondContact O-OG1 3.47Å; T40-E42 PolarHBondContact O-N 3.47Å; T40-V103 HydrophobicContact CG2-CG1 4.01Å; T40-V103 HydrophobicContact CG2-CG2 4.42Å; T40-V103 WeakPolarHBondContact OG1-CG1 3.4Å; T40-V103 WeakPolarHBondContact OG1-CG2 3.47Å; T40-C111 HydrophobicContact CG2-CB 3.59Å
41S58.7Low72.3Confident3 Ų341.1 Ų41.12%0.02121%0.206CC..THydrogen-bonded Turntrans-75.92.5-179.1580000113.4H37 I38 W39 F43 N96 L99H37-S41 WeakPolarHBondContact O-CB 3.49Å; H37-S41 PolarHBondContact O-OG 3.39Å; I38-S41 PolarHBondContact O-OG 2.96Å; W39-S41 PolarHBondContact O-N 3.37Å; S41-F43 PolarHBondContact O-N 3.32Å; S41-F43 WeakPolarHBondContact OG-CB 3.29Å; S41-F43 PolarHBondContact OG-N 2.95Å; S41-N96 PolarHBondContact O-OD1 3.13Å; S41-L99 WeakPolarHBondContact O-CD1 3.39Å
42E69Low72.7Confident94 Ų9439.6 Ų39.644%0.43920%0.199SC..  trans52.612.3-169.3-57.7-179.4153.700112W39 T40 L44 N45 N46W39-E42 PolarHBondContact O-N 2.97Å; T40-E42 PolarHBondContact O-N 3.47Å; E42-L44 PolarHBondContact O-N 3.33Å; E42-N45 WeakPolarHBondContact O-CB 3.29Å; E42-N45 PolarHBondContact O-N 2.85Å; E42-N46 WeakPolarHBondContact O-CB 3.38Å; E42-N46 VanDerWaalsContact O-CG 3.3Å; E42-N46 PolarHBondContact O-N 3.49Å; E42-N46 PolarHBondContact O-ND2 3.24Å
43F72.2Confident73.2Confident42 Ų4239.9 Ų39.918%0.18420%0.199CC..Hα-helixtrans-65.2-45.6-163168.8-95.8000110.9S41 N45 N46 L47 N92 I93 N96S41-F43 PolarHBondContact O-N 3.32Å; S41-F43 WeakPolarHBondContact OG-CB 3.29Å; S41-F43 PolarHBondContact OG-N 2.95Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 3.33Å; F43-N46 PolarHBondContact O-N 3.4Å; F43-L47 HydrophobicContact CE1-CD2 4.06Å; F43-L47 HydrophobicContact CZ-CD2 4.3Å; F43-L47 WeakPolarHBondContact O-CB 3.29Å; F43-L47 PolarHBondContact O-N 3.11Å; F43-N92 HydrophobicContact CD2-CB 4.25Å; F43-N92 HydrophobicContact CE2-CB 3.82Å; F43-I93 HydrophobicContact CE2-CG1 3.89Å; F43-I93 HydrophobicContact CZ-CG1 4.04Å; F43-N96 HydrophobicContact CB-CB 4.29Å; F43-N96 HydrophobicContact CD2-CB 3.87Å
44L74.4Confident73.7Confident49 Ų4937.4 Ų37.426%0.25719%0.186SC..Hα-helixtrans-64.4-37.7177-69.1179000112.2I38 E42 F48I38-L44 HydrophobicContact CG2-CD1 3.45Å; I38-L44 VanDerWaalsContact CG2-CD1 3.45Å; I38-L44 HydrophobicContact CG2-CD2 4.18Å; I38-L44 HydrophobicContact CG2-CG 3.59Å; E42-L44 PolarHBondContact O-N 3.33Å; L44-F48 HydrophobicContact CB-CD2 4.44Å; L44-F48 HydrophobicContact CB-CE2 4.11Å; L44-F48 HydrophobicContact CD2-CE2 4.42Å; L44-F48 HydrophobicContact CD2-CZ 4.26Å; L44-F48 WeakPolarHBondContact O-CB 3.46Å; L44-F48 WeakPolarHBondContact O-CD2 3.31Å; L44-F48 WeakPolarHBondContact O-CG 3Å; L44-F48 PolarHBondContact O-N 2.97Å
45N75.5Confident74.2Confident25 Ų2533.2 Ų33.213%0.13416%0.164CC..Hα-helixtrans-66.1-48.7177-175.140.3000110.4Q14 E42 F43 L47 F48 N49Q14-N45 WeakPolarHBondContact CG-OD1 3.39Å; E42-N45 WeakPolarHBondContact O-CB 3.29Å; E42-N45 PolarHBondContact O-N 2.85Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 3.33Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 3.1Å; N45-F48 PolarHBondContact O-N 2.86Å; N45-N49 VanDerWaalsContact O-CB 3.27Å; N45-N49 WeakPolarHBondContact O-CB 3.42Å; N45-N49 PolarHBondContact O-N 2.88Å; N45-N49 PolarHBondContact O-ND2 3.46Å; N45-N49 PolarHBondContact OD1-ND2 3Å
46N76.5Confident74.6Confident46 Ų4631.5 Ų31.525%0.24616%0.156CC..Hα-helixtrans-61.3-42177-67.5-19.3000111.6E42 F43 T50 N92 N96E42-N46 WeakPolarHBondContact O-CB 3.38Å; E42-N46 VanDerWaalsContact O-CG 3.3Å; E42-N46 PolarHBondContact O-N 3.49Å; E42-N46 PolarHBondContact O-ND2 3.24Å; F43-N46 PolarHBondContact O-N 3.4Å; N46-T50 WeakPolarHBondContact O-CB 3.26Å; N46-T50 PolarHBondContact O-N 3.43Å; N46-T50 PolarHBondContact O-OG1 3.45Å; N46-N92 VanDerWaalsContact CB-OD1 3.26Å; N46-N92 WeakPolarHBondContact CB-OD1 3.43Å; N46-N92 PolarHBondContact O-OD1 2.83Å; N46-N96 PolarHBondContact ND2-OD1 2.9Å
47L80.8Confident75.1Confident19 Ų1932.1 Ų32.110%0.09916%0.158CC..Hα-helixtrans-63.5-51.2178.4-176.670.6000111.5F43 N45 T50 F51 V89 N92F43-L47 HydrophobicContact CE1-CD2 4.06Å; F43-L47 HydrophobicContact CZ-CD2 4.3Å; F43-L47 WeakPolarHBondContact O-CB 3.29Å; F43-L47 PolarHBondContact O-N 3.11Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 3.1Å; L47-T50 WeakPolarHBondContact O-CB 3.44Å; L47-T50 PolarHBondContact O-N 2.94Å; L47-F51 HydrophobicContact CD1-CE1 3.83Å; L47-F51 HydrophobicContact CD1-CE2 4.19Å; L47-F51 HydrophobicContact CD1-CZ 3.66Å; L47-F51 HydrophobicContact CD2-CE2 4.23Å; L47-F51 HydrophobicContact CD2-CZ 4.36Å; L47-F51 HydrophobicContact CG-CD2 4.39Å; L47-F51 HydrophobicContact CG-CE1 4.37Å; L47-F51 HydrophobicContact CG-CE2 3.92Å; L47-F51 HydrophobicContact CG-CZ 3.93Å; L47-F51 WeakPolarHBondContact O-CG 3.39Å; L47-F51 PolarHBondContact O-N 3.4Å; L47-V89 HydrophobicContact CD1-CG2 4.1Å; L47-N92 HydrophobicContact CB-CB 4.43Å; L47-N92 HydrophobicContact CD1-CB 3.88Å; L47-N92 PolarHBondContact N-OD1 2.76Å; L47-N92 VanDerWaalsContact N-OD1 3.15Å
48F82.4Confident75.6Confident33 Ų3330.3 Ų30.315%0.14515%0.151CC..Hα-helixtrans-68.3-37.1-179.7-62.2-37.1000112L9 V10 L44 N45 T50 F51 T52L9-F48 HydrophobicContact CB-CB 4.44Å; L9-F48 HydrophobicContact CB-CD1 4.09Å; L9-F48 HydrophobicContact CB-CD2 3.85Å; L9-F48 HydrophobicContact CB-CE1 4.28Å; L9-F48 HydrophobicContact CB-CE2 4.05Å; L9-F48 HydrophobicContact CB-CG 3.88Å; L9-F48 HydrophobicContact CB-CZ 4.27Å; L9-F48 HydrophobicContact CD1-CD1 4.27Å; L9-F48 HydrophobicContact CD1-CE1 4.04Å; L9-F48 HydrophobicContact CD1-CZ 4.43Å; L9-F48 HydrophobicContact CD2-CZ 4.39Å; L9-F48 WeakPolarHBondContact O-CD2 3.45Å; V10-F48 HydrophobicContact CB-CB 4.5Å; V10-F48 VanDerWaalsContact CG2-C 3.48Å; V10-F48 HydrophobicContact CG2-CB 3.55Å; L44-F48 HydrophobicContact CB-CD2 4.44Å; L44-F48 HydrophobicContact CB-CE2 4.11Å; L44-F48 HydrophobicContact CD2-CE2 4.42Å; L44-F48 HydrophobicContact CD2-CZ 4.26Å; L44-F48 WeakPolarHBondContact O-CB 3.46Å; L44-F48 WeakPolarHBondContact O-CD2 3.31Å; L44-F48 WeakPolarHBondContact O-CG 3Å; L44-F48 PolarHBondContact O-N 2.97Å; N45-F48 PolarHBondContact O-N 2.86Å; F48-T50 VanDerWaalsContact C-N 3.34Å; F48-T50 PolarHBondContact O-N 2.92Å; F48-F51 HydrophobicContact CD1-CD2 4.21Å; F48-F51 PolarHBondContact O-N 3.43Å; F48-T52 PolarHBondContact O-N 3.14Å
49N78.6Confident76.2Confident47 Ų4730.5 Ų30.525%0.25115%0.152SC..Hα-helixtrans-58.7-47.8171.3-74.2-23.7000110.5V10 N45 F51 T52 K53V10-N49 WeakPolarHBondContact CG1-OD1 3.3Å; V10-N49 WeakPolarHBondContact CG2-OD1 3.28Å; N45-N49 VanDerWaalsContact O-CB 3.27Å; N45-N49 WeakPolarHBondContact O-CB 3.42Å; N45-N49 PolarHBondContact O-N 2.88Å; N45-N49 PolarHBondContact O-ND2 3.46Å; N45-N49 PolarHBondContact OD1-ND2 3Å; N49-F51 VanDerWaalsContact C-N 3.3Å; N49-F51 PolarHBondContact O-N 3.03Å; N49-T52 WeakPolarHBondContact O-CB 3.21Å; N49-T52 PolarHBondContact O-N 3.12Å; N49-T52 VanDerWaalsContact O-N 3.13Å; N49-K53 WeakPolarHBondContact O-CG 3.24Å; N49-K53 PolarHBondContact O-N 2.77Å
50T79.3Confident76.9Confident10 Ų1028 Ų286%0.06114%0.143CC..Hα-helixtrans-58.5-43177.1-51.60000111.1N46 L47 F48 T52 K53 Q54 N92N46-T50 WeakPolarHBondContact O-CB 3.26Å; N46-T50 PolarHBondContact O-N 3.43Å; N46-T50 PolarHBondContact O-OG1 3.45Å; L47-T50 WeakPolarHBondContact O-CB 3.44Å; L47-T50 PolarHBondContact O-N 2.94Å; F48-T50 VanDerWaalsContact C-N 3.34Å; F48-T50 PolarHBondContact O-N 2.92Å; T50-T52 PolarHBondContact O-N 3.41Å; T50-K53 PolarHBondContact O-N 3.29Å; T50-Q54 HydrophobicContact CG2-CG 4.5Å; T50-Q54 WeakPolarHBondContact O-CG 3.32Å; T50-Q54 PolarHBondContact O-N 3.24Å; T50-N92 WeakPolarHBondContact CB-ND2 3.31Å; T50-N92 PolarHBondContact OG1-ND2 3.36Å
51F83.5Confident77.8Confident26 Ų2627.5 Ų27.511%0.11414%0.139CC..Hα-helixtrans-64.7-36.6176.8-70.4-9.8000113.4F6 L47 F48 N49 Q54 S55 Y85 V89F6-F51 HydrophobicContact CD1-CB 3.73Å; F6-F51 AromaticContact CD1-CD2 3.92Å; F6-F51 HydrophobicContact CD1-CD2 3.92Å; F6-F51 HydrophobicContact CD1-CG 4.33Å; F6-F51 HydrophobicContact CD2-CB 4.15Å; F6-F51 HydrophobicContact CE1-CB 3.82Å; F6-F51 AromaticContact CE1-CD2 3.43Å; F6-F51 HydrophobicContact CE1-CD2 3.43Å; F6-F51 VanDerWaalsContact CE1-CD2 3.43Å; F6-F51 HydrophobicContact CE1-CE2 4.28Å; F6-F51 HydrophobicContact CE1-CG 4.01Å; F6-F51 HydrophobicContact CE2-CB 4.17Å; F6-F51 HydrophobicContact CG-CB 3.92Å; F6-F51 HydrophobicContact CZ-CB 4.03Å; F6-F51 AromaticContact CZ-CD2 3.99Å; F6-F51 HydrophobicContact CZ-CD2 3.99Å; F6-F51 HydrophobicContact CZ-CG 4.25Å; L47-F51 HydrophobicContact CD1-CE1 3.83Å; L47-F51 HydrophobicContact CD1-CE2 4.19Å; L47-F51 HydrophobicContact CD1-CZ 3.66Å; L47-F51 HydrophobicContact CD2-CE2 4.23Å; L47-F51 HydrophobicContact CD2-CZ 4.36Å; L47-F51 HydrophobicContact CG-CD2 4.39Å; L47-F51 HydrophobicContact CG-CE1 4.37Å; L47-F51 HydrophobicContact CG-CE2 3.92Å; L47-F51 HydrophobicContact CG-CZ 3.93Å; L47-F51 WeakPolarHBondContact O-CG 3.39Å; L47-F51 PolarHBondContact O-N 3.4Å; F48-F51 HydrophobicContact CD1-CD2 4.21Å; F48-F51 PolarHBondContact O-N 3.43Å; N49-F51 VanDerWaalsContact C-N 3.3Å; N49-F51 PolarHBondContact O-N 3.03Å; F51-Q54 PolarHBondContact O-N 3.15Å; F51-S55 VanDerWaalsContact O-CB 3.28Å; F51-S55 WeakPolarHBondContact O-CB 3.29Å; F51-S55 PolarHBondContact O-N 3.04Å; F51-S55 PolarHBondContact O-OG 3.33Å; F51-Y85 HydrophobicContact CB-CE1 4.18Å; F51-Y85 AromaticContact CD1-CD1 3.61Å; F51-Y85 HydrophobicContact CD1-CD1 3.61Å; F51-Y85 HydrophobicContact CD1-CE1 4.1Å; F51-Y85 AromaticContact CE1-CD1 3.87Å; F51-Y85 HydrophobicContact CE1-CD1 3.87Å; F51-Y85 HydrophobicContact CG-CD1 4.09Å; F51-Y85 HydrophobicContact CG-CE1 4.2Å; F51-V89 HydrophobicContact CE1-CG2 3.92Å; F51-V89 HydrophobicContact CZ-CG2 3.61Å
52T80.8Confident78.8Confident10 Ų1031.1 Ų31.16%0.06116%0.155CC..Hα-helixtrans-60.2-48.1169.8-80.80000110.5F6 D7 F48 N49 T50 Q54 S55 I56F6-T52 WeakPolarHBondContact CB-OG1 3.33Å; D7-T52 VanDerWaalsContact OD1-CG2 3.23Å; D7-T52 WeakPolarHBondContact OD1-CG2 3.34Å; D7-T52 PolarHBondContact OD1-OG1 2.82Å; F48-T52 PolarHBondContact O-N 3.14Å; N49-T52 WeakPolarHBondContact O-CB 3.21Å; N49-T52 PolarHBondContact O-N 3.12Å; N49-T52 VanDerWaalsContact O-N 3.13Å; T50-T52 PolarHBondContact O-N 3.41Å; T52-Q54 PolarHBondContact O-N 3.26Å; T52-S55 PolarHBondContact O-N 2.87Å; T52-I56 HydrophobicContact CG2-CD1 4.12Å; T52-I56 WeakPolarHBondContact O-CG1 3.48Å; T52-I56 PolarHBondContact O-N 3.19Å
53K79.1Confident79.2Confident27 Ų2727.4 Ų27.412%0.11714%0.138CC..Hα-helixtrans-58-47.1177.3-44.9-152.5174.4172.20112N49 T50 S55 I56 L57 D139 E188 D195N49-K53 WeakPolarHBondContact O-CG 3.24Å; N49-K53 PolarHBondContact O-N 2.77Å; T50-K53 PolarHBondContact O-N 3.29Å; K53-S55 PolarHBondContact O-N 2.86Å; K53-I56 PolarHBondContact O-N 3.05Å; K53-L57 PolarHBondContact O-N 3.43Å; K53-D139 IonicContact NZ-OD1 2.77Å; K53-D139 PolarHBondContact NZ-OD1 2.69Å; K53-E188 WeakPolarHBondContact CD-OE1 3.36Å; K53-E188 WeakPolarHBondContact CE-OE1 3.49Å; K53-E188 WeakPolarHBondContact CG-OE1 3.3Å; K53-D195 IonicContact NZ-OD2 3.43Å; K53-D195 PolarHBondContact NZ-OD2 3.49Å
54Q79.8Confident79.6Confident11 Ų1126.1 Ų26.15%0.05113%0.134CC..Hα-helixtrans-68.7-34.8-179-64-58.1-11.100112.8T50 F51 T52 I56 L57 A58 I84 Y85 S88T50-Q54 HydrophobicContact CG2-CG 4.5Å; T50-Q54 WeakPolarHBondContact O-CG 3.32Å; T50-Q54 PolarHBondContact O-N 3.24Å; F51-Q54 PolarHBondContact O-N 3.15Å; T52-Q54 PolarHBondContact O-N 3.26Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-L57 PolarHBondContact O-N 2.92Å; Q54-A58 VanDerWaalsContact O-CB 3.28Å; Q54-A58 WeakPolarHBondContact O-CB 3.47Å; Q54-A58 PolarHBondContact O-N 2.85Å; Q54-I84 HydrophobicContact CB-CG2 3.84Å; Q54-I84 HydrophobicContact CG-CG2 3.57Å; Q54-Y85 HydrophobicContact CB-CE1 4.39Å; Q54-S88 WeakPolarHBondContact CG-OG 3.25Å
55S81.7Confident79.9Confident4 Ų426.9 Ų26.93%0.02814%0.138CC..Hα-helixtrans-64-40.5173.7-67.40000111.8F6 F51 T52 K53 A58 I59 Y85F6-S55 WeakPolarHBondContact CD2-OG 3.47Å; F6-S55 WeakPolarHBondContact CE2-OG 3.26Å; F51-S55 VanDerWaalsContact O-CB 3.28Å; F51-S55 WeakPolarHBondContact O-CB 3.29Å; F51-S55 PolarHBondContact O-N 3.04Å; F51-S55 PolarHBondContact O-OG 3.33Å; T52-S55 PolarHBondContact O-N 2.87Å; K53-S55 PolarHBondContact O-N 2.86Å; S55-A58 WeakPolarHBondContact O-CB 3.48Å; S55-A58 PolarHBondContact O-N 3.41Å; S55-I59 WeakPolarHBondContact O-CD1 3.23Å; S55-I59 VanDerWaalsContact O-CG1 3.27Å; S55-I59 WeakPolarHBondContact O-CG1 3.32Å; S55-I59 PolarHBondContact O-N 2.91Å; S55-Y85 PolarHBondContact OG-OH 3.29Å
56I79.1Confident79.9Confident8 Ų828.2 Ų28.24%0.04115%0.149CC..Hα-helixtrans-64.8-49.8175.4-69.3170.8000110.4T52 K53 Q54 A58 I59 I60 E188T52-I56 HydrophobicContact CG2-CD1 4.12Å; T52-I56 WeakPolarHBondContact O-CG1 3.48Å; T52-I56 PolarHBondContact O-N 3.19Å; K53-I56 PolarHBondContact O-N 3.05Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 2.96Å; I56-I59 PolarHBondContact O-N 2.98Å; I56-I59 VanDerWaalsContact O-N 3.13Å; I56-I60 HydrophobicContact CG2-CD1 3.87Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.32Å; I56-I60 PolarHBondContact O-N 3.32Å; I56-E188 HydrophobicContact CD1-CB 3.7Å; I56-E188 HydrophobicContact CD1-CG 3.71Å; I56-E188 HydrophobicContact CG2-CG 4.48Å
57L81.1Confident79.9Confident15 Ų1527.8 Ų27.88%0.07915%0.146CC..Hα-helixtrans-53.7-42.1175.2-177.270.2000110.9K53 Q54 I60 I61 P142 V145 M146K53-L57 PolarHBondContact O-N 3.43Å; Q54-L57 PolarHBondContact O-N 2.92Å; L57-I60 PolarHBondContact O-N 2.76Å; L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CD2-CD1 4.29Å; L57-I61 HydrophobicContact CG-CD1 3.78Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 2.88Å; L57-P142 HydrophobicContact CD2-CB 4.05Å; L57-V145 HydrophobicContact CD1-CB 4.48Å; L57-V145 HydrophobicContact CD1-CG1 4.13Å; L57-M146 HydrophobicContact CD1-CB 4Å
58A80.4Confident79.8Confident8 Ų831.9 Ų31.97%0.06616%0.161CC..Hα-helixtrans-62-46.5179.600000112.8Q54 S55 I56 I60 I61 E62 Y77 L81Q54-A58 VanDerWaalsContact O-CB 3.28Å; Q54-A58 WeakPolarHBondContact O-CB 3.47Å; Q54-A58 PolarHBondContact O-N 2.85Å; S55-A58 WeakPolarHBondContact O-CB 3.48Å; S55-A58 PolarHBondContact O-N 3.41Å; I56-A58 PolarHBondContact O-N 2.96Å; A58-I60 VanDerWaalsContact C-N 3.29Å; A58-I60 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.31Å; A58-E62 VanDerWaalsContact O-CB 3.32Å; A58-E62 WeakPolarHBondContact O-CB 3.47Å; A58-E62 PolarHBondContact O-N 3.3Å; A58-Y77 WeakPolarHBondContact CA-OH 3.27Å; A58-Y77 HydrophobicContact CB-CE1 4.18Å; A58-Y77 PolarHBondContact O-OH 2.94Å; A58-L81 HydrophobicContact CB-CD2 3.16Å; A58-L81 HydrophobicContact CB-CG 4.42Å
59I79.8Confident79.5Confident68 Ų6836.5 Ų36.535%0.34918%0.181SC..Hα-helixtrans-62.2-40.4179-68.9162.1000110.4Q3 S55 I56 H63 I181Q3-I59 HydrophobicContact CB-CD1 4.15Å; S55-I59 WeakPolarHBondContact O-CD1 3.23Å; S55-I59 VanDerWaalsContact O-CG1 3.27Å; S55-I59 WeakPolarHBondContact O-CG1 3.32Å; S55-I59 PolarHBondContact O-N 2.91Å; I56-I59 PolarHBondContact O-N 2.98Å; I56-I59 VanDerWaalsContact O-N 3.13Å; I59-H63 VanDerWaalsContact O-CB 3.29Å; I59-H63 WeakPolarHBondContact O-CB 3.16Å; I59-H63 PolarHBondContact O-N 2.98Å; I59-I181 HydrophobicContact CG2-CD1 4.28Å; I59-I181 HydrophobicContact CG2-CG1 4.18Å
60I81.1Confident79.1Confident2 Ų238.9 Ų38.91%0.0120%0.2CC..Hα-helixtrans-66.8-47-179.7-64.8168.1000111.5I56 L57 A58 H63 C64 M146 I149 I181 C185I56-I60 HydrophobicContact CG2-CD1 3.87Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.32Å; I56-I60 PolarHBondContact O-N 3.32Å; L57-I60 PolarHBondContact O-N 2.76Å; A58-I60 VanDerWaalsContact C-N 3.29Å; A58-I60 PolarHBondContact O-N 2.93Å; I60-H63 PolarHBondContact O-N 3.19Å; I60-C64 WeakPolarHBondContact O-CB 3.21Å; I60-C64 PolarHBondContact O-N 2.87Å; I60-M146 HydrophobicContact CD1-CG 3.63Å; I60-M146 HydrophobicContact CD1-SD 3.86Å; I60-I149 HydrophobicContact CG2-CB 3.78Å; I60-I149 HydrophobicContact CG2-CD1 4.37Å; I60-I149 HydrophobicContact CG2-CG2 3.31Å; I60-I181 HydrophobicContact CG1-CG2 4.04Å; I60-C185 HydrophobicContact CD1-CB 4.31Å; I60-C185 WeakPolarHBondContact CD1-SG 3.49Å; I60-C185 VanDerWaalsContact CG1-SG 3.51Å
61I80.2Confident78.6Confident31 Ų3146 Ų4616%0.15924%0.237CC..Hα-helixtrans-62.5-46177.5-69.1162.1000110.1L57 A58 H63 C64 L65 Y77 I149L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CD2-CD1 4.29Å; L57-I61 HydrophobicContact CG-CD1 3.78Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 2.88Å; A58-I61 PolarHBondContact O-N 3.31Å; I61-H63 VanDerWaalsContact C-N 3.34Å; I61-H63 PolarHBondContact O-N 3.44Å; I61-C64 WeakPolarHBondContact O-CB 3.07Å; I61-C64 PolarHBondContact O-N 3.42Å; I61-L65 HydrophobicContact CG2-CD1 3.97Å; I61-L65 HydrophobicContact CG2-CG 4.34Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.31Å; I61-Y77 HydrophobicContact CB-CE2 4.34Å; I61-Y77 VanDerWaalsContact CB-OH 3.27Å; I61-Y77 WeakPolarHBondContact CB-OH 3.36Å; I61-Y77 HydrophobicContact CG2-CE2 3.65Å; I61-I149 HydrophobicContact CB-CD1 4.3Å; I61-I149 HydrophobicContact CD1-CD1 4.35Å; I61-I149 HydrophobicContact CG1-CD1 3.29Å
62E79Confident77.9Confident79 Ų7948.1 Ų48.137%0.36925%0.252SS..Hα-helixtrans-59-46.2177.9-179.3173.5-177.300111.1A58 C64 L65 S66 L74 Y77A58-E62 VanDerWaalsContact O-CB 3.32Å; A58-E62 WeakPolarHBondContact O-CB 3.47Å; A58-E62 PolarHBondContact O-N 3.3Å; E62-C64 PolarHBondContact O-N 3.29Å; E62-L65 PolarHBondContact O-N 2.96Å; E62-S66 WeakPolarHBondContact O-CB 3.05Å; E62-S66 PolarHBondContact O-N 2.91Å; E62-L74 HydrophobicContact CG-CD2 3.93Å; E62-Y77 HydrophobicContact CB-CE1 4.05Å
63H77.7Confident77.1Confident16 Ų1652.7 Ų52.77%0.07428%0.276CS..Hα-helixtrans-61.4-43.7176.8-172.762.7000111.9I59 I60 I61 S66 I67 T178 I181I59-H63 VanDerWaalsContact O-CB 3.29Å; I59-H63 WeakPolarHBondContact O-CB 3.16Å; I59-H63 PolarHBondContact O-N 2.98Å; I60-H63 PolarHBondContact O-N 3.19Å; I61-H63 VanDerWaalsContact C-N 3.34Å; I61-H63 PolarHBondContact O-N 3.44Å; H63-S66 PolarHBondContact O-N 3.37Å; H63-S66 PolarHBondContact O-OG 3.19Å; H63-I67 WeakPolarHBondContact O-CG1 3.38Å; H63-I67 PolarHBondContact O-N 2.77Å; H63-I67 VanDerWaalsContact O-N 3.12Å; H63-T178 PolarHBondContact CE1-OG1 2.79Å; H63-T178 PolarHBondContact NE2-OG1 2.89Å; H63-I181 HydrophobicContact CB-CD1 3.67Å
64C81.5Confident76.3Confident15 Ų1554.9 Ų54.910%0.10129%0.289CS..Hα-helixtrans-61.3-46175.8-1730000112I60 I61 E62 S66 I67 Y68 I149 V153I60-C64 WeakPolarHBondContact O-CB 3.21Å; I60-C64 PolarHBondContact O-N 2.87Å; I61-C64 WeakPolarHBondContact O-CB 3.07Å; I61-C64 PolarHBondContact O-N 3.42Å; E62-C64 PolarHBondContact O-N 3.29Å; C64-S66 VanDerWaalsContact C-N 3.31Å; C64-S66 PolarHBondContact O-N 2.85Å; C64-I67 PolarHBondContact O-N 3.43Å; C64-I67 VanDerWaalsContact O-N 3.14Å; C64-Y68 WeakPolarHBondContact O-CD2 3.27Å; C64-Y68 PolarHBondContact O-N 2.97Å; C64-Y68 VanDerWaalsContact SG-CD2 3.59Å; C64-I149 HydrophobicContact CB-CG2 3.38Å; C64-V153 HydrophobicContact CB-CG2 4.3Å
65L79.2Confident75.3Confident64 Ų6460.3 Ų60.334%0.33532%0.318SS..Hα-helixtrans-61.4-39.7175.8-71.9174.5000111.7I61 E62 I67 Y68 K69 Y77I61-L65 HydrophobicContact CG2-CD1 3.97Å; I61-L65 HydrophobicContact CG2-CG 4.34Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.31Å; E62-L65 PolarHBondContact O-N 2.96Å; L65-I67 PolarHBondContact O-N 3.29Å; L65-Y68 PolarHBondContact O-N 3.46Å; L65-K69 CarbonylContact O-C 3.24Å; L65-K69 VanDerWaalsContact O-C 3.24Å; L65-K69 WeakPolarHBondContact O-CA 3.17Å; L65-K69 PolarHBondContact O-N 3.45Å; L65-Y77 HydrophobicContact CD1-CD2 4.5Å
66S76.1Confident74.4Confident53 Ų5365.9 Ų65.937%0.37135%0.347SS..Hα-helixtrans-61.9-32.9176.584.50000112.8E62 H63 C64E62-S66 WeakPolarHBondContact O-CB 3.05Å; E62-S66 PolarHBondContact O-N 2.91Å; H63-S66 PolarHBondContact O-N 3.37Å; H63-S66 PolarHBondContact O-OG 3.19Å; C64-S66 VanDerWaalsContact C-N 3.31Å; C64-S66 PolarHBondContact O-N 2.85Å
67I76.6Confident73.8Confident37 Ų3766.4 Ų66.419%0.1935%0.348CS..Hα-helixtrans-75.8-48.6178.5-68.9167.8000111H63 C64 L65 V153 H156H63-I67 WeakPolarHBondContact O-CG1 3.38Å; H63-I67 PolarHBondContact O-N 2.77Å; H63-I67 VanDerWaalsContact O-N 3.12Å; C64-I67 PolarHBondContact O-N 3.43Å; C64-I67 VanDerWaalsContact O-N 3.14Å; L65-I67 PolarHBondContact O-N 3.29Å; I67-V153 HydrophobicContact CD1-CG1 4.2Å; I67-V153 HydrophobicContact CD1-CG2 4.23Å; I67-H156 HydrophobicContact CG2-CB 4.37Å; I67-H156 WeakPolarHBondContact CG2-CD2 3.23Å; I67-H156 WeakPolarHBondContact CG2-NE2 3.19Å
68Y78.5Confident73Confident105 Ų10569.2 Ų69.241%0.41237%0.368SS..Hα-helixtrans-87.1-27.4-172.5-74.9-77.6000113.8C64 L65 L152 H156C64-Y68 WeakPolarHBondContact O-CD2 3.27Å; C64-Y68 PolarHBondContact O-N 2.97Å; C64-Y68 VanDerWaalsContact SG-CD2 3.59Å; L65-Y68 PolarHBondContact O-N 3.46Å; Y68-L152 HydrophobicContact CE2-CB 4.23Å; Y68-L152 PolarHBondContact OH-O 3.39Å; Y68-H156 AromaticContact CE1-ND1 3.97Å
69K76Confident72.3Confident130 Ų13077.2 Ų77.257%0.56540%0.401SS*.  trans-140.370.6-175.6-65.8-168.4-179.9-179.10111L65 N71 V72L65-K69 CarbonylContact O-C 3.24Å; L65-K69 VanDerWaalsContact O-C 3.24Å; L65-K69 WeakPolarHBondContact O-CA 3.17Å; L65-K69 PolarHBondContact O-N 3.45Å; K69-N71 PolarHBondContact O-N 2.88Å; K69-V72 HydrophobicContact CB-CB 4.26Å; K69-V72 HydrophobicContact CB-CG2 3.6Å; K69-V72 HydrophobicContact CD-CG2 3.78Å; K69-V72 HydrophobicContact CG-CG2 4.3Å; K69-V72 PolarHBondContact O-N 3.22Å; K69-V72 VanDerWaalsContact O-N 3.15Å
70P71.8Confident71.7Confident98 Ų9878.6 Ų78.664%0.63641%0.408SS*.THydrogen-bonded Turntrans-61.6-19.8-175.425-35.4000114.4
71N68.4Low71.2Confident158 Ų15880.2 Ų80.285%0.84542%0.417SS*.THydrogen-bonded Turntrans-98.43.5-176.5-62.2-12.4000113.6K69K69-N71 PolarHBondContact O-N 2.88Å
72V68.6Low70.9Confident71 Ų7180.3 Ų80.343%0.4343%0.426SS..SBendtrans-78.1130.4178.3170.70000109.5K69 L74K69-V72 HydrophobicContact CB-CB 4.26Å; K69-V72 HydrophobicContact CB-CG2 3.6Å; K69-V72 HydrophobicContact CD-CG2 3.78Å; K69-V72 HydrophobicContact CG-CG2 4.3Å; K69-V72 PolarHBondContact O-N 3.22Å; K69-V72 VanDerWaalsContact O-N 3.15Å; V72-L74 PolarHBondContact O-N 3.31Å
73N64Low70.7Confident107 Ų10778.6 Ų78.657%0.57243%0.429SS*.  trans-67.6107.8177.6-157-3.2000109.8L75 N76N73-L75 PolarHBondContact O-N 3.32Å; N73-L75 WeakPolarHBondContact OD1-CD1 3.06Å; N73-N76 PolarHBondContact O-N 2.99Å
74L63Low70.5Confident73 Ų7379.7 Ų79.738%0.38244%0.435SS..G310 helixtrans-61.5-10.6179.3-71.1165.4000112.7E62 V72 N76 Y77 P78E62-L74 HydrophobicContact CG-CD2 3.93Å; V72-L74 PolarHBondContact O-N 3.31Å; L74-N76 PolarHBondContact O-N 2.6Å; L74-N76 VanDerWaalsContact O-N 3.15Å; L74-Y77 WeakPolarHBondContact O-CB 3.38Å; L74-Y77 PolarHBondContact O-N 2.97Å; L74-P78 WeakPolarHBondContact O-CD 3.37Å
75L58.4Low70.4Confident125 Ų12581.2 Ų81.265%0.65444%0.439SS*.G310 helixtrans-60.7-16.2174.2-93.4143.7000115.4N73 P78N73-L75 PolarHBondContact O-N 3.32Å; N73-L75 WeakPolarHBondContact OD1-CD1 3.06Å; L75-P78 VanDerWaalsContact O-CD 3.24Å; L75-P78 WeakPolarHBondContact O-CD 3.32Å; L75-P78 VanDerWaalsContact O-CG 3.25Å; L75-P78 WeakPolarHBondContact O-CG 3.46Å
76N61.7Low70.5Confident120 Ų12082.5 Ų82.564%0.64245%0.453SS*.G310 helixtrans-82.5-17.6171.9-75.2-17.9000113.5N73 L74N73-N76 PolarHBondContact O-N 2.99Å; L74-N76 PolarHBondContact O-N 2.6Å; L74-N76 VanDerWaalsContact O-N 3.15Å
77Y66.7Low70.6Confident19 Ų1983.7 Ų83.78%0.07545%0.451CS..Hα-helixtrans-63.4-38.9179.5-156.5-119000116.1A58 I61 E62 L65 L74 K79 L80 L81A58-Y77 WeakPolarHBondContact CA-OH 3.27Å; A58-Y77 HydrophobicContact CB-CE1 4.18Å; A58-Y77 PolarHBondContact O-OH 2.94Å; I61-Y77 HydrophobicContact CB-CE2 4.34Å; I61-Y77 VanDerWaalsContact CB-OH 3.27Å; I61-Y77 WeakPolarHBondContact CB-OH 3.36Å; I61-Y77 HydrophobicContact CG2-CE2 3.65Å; E62-Y77 HydrophobicContact CB-CE1 4.05Å; L65-Y77 HydrophobicContact CD1-CD2 4.5Å; L74-Y77 WeakPolarHBondContact O-CB 3.38Å; L74-Y77 PolarHBondContact O-N 2.97Å; Y77-K79 PolarHBondContact O-N 3.45Å; Y77-L80 HydrophobicContact CE2-CD2 4.19Å; Y77-L80 PolarHBondContact O-N 3.46Å; Y77-L80 VanDerWaalsContact O-N 3.12Å; Y77-L81 HydrophobicContact CD1-CD1 3.4Å; Y77-L81 VanDerWaalsContact CD1-CD1 3.4Å; Y77-L81 HydrophobicContact CD1-CG 3.93Å; Y77-L81 HydrophobicContact CE1-CD1 3.56Å; Y77-L81 HydrophobicContact CE1-CD2 4.05Å; Y77-L81 HydrophobicContact CE1-CG 3.82Å; Y77-L81 HydrophobicContact CG-CD1 4.34Å; Y77-L81 PolarHBondContact O-N 3.2Å
78P63.7Low70.6Confident75 Ų7582 Ų8249%0.48744%0.443SS..Hα-helixtrans-61.1-28.3-179.820.9-34.9000114.2L74 L75 L81 G82L74-P78 WeakPolarHBondContact O-CD 3.37Å; L75-P78 VanDerWaalsContact O-CD 3.24Å; L75-P78 WeakPolarHBondContact O-CD 3.32Å; L75-P78 VanDerWaalsContact O-CG 3.25Å; L75-P78 WeakPolarHBondContact O-CG 3.46Å; P78-L81 PolarHBondContact O-N 3.3Å; P78-G82 PolarHBondContact O-N 3.02Å
79K67.5Low70.6Confident176 Ų17679.5 Ų79.577%0.76544%0.438SS*.Hα-helixtrans-68.1-41.6176.1-70.5-176.2178.9179.60111.7Y77 G83Y77-K79 PolarHBondContact O-N 3.45Å; K79-G83 PolarHBondContact O-N 3.26Å; K79-G83 VanDerWaalsContact O-N 3.11Å
80L67.1Low70.8Confident96 Ų9675.5 Ų75.550%0.50343%0.429SS..Hα-helixtrans-65-45.1175.7-170.377.6000110.3Y77 G83 I84Y77-L80 HydrophobicContact CE2-CD2 4.19Å; Y77-L80 PolarHBondContact O-N 3.46Å; Y77-L80 VanDerWaalsContact O-N 3.12Å; L80-G83 PolarHBondContact O-N 3.39Å; L80-I84 HydrophobicContact CD2-CD1 4.48Å; L80-I84 HydrophobicContact CG-CD1 4.08Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.5Å; L80-I84 PolarHBondContact O-N 3.03Å
81L70.4Confident71Confident36 Ų3671.8 Ų71.819%0.18840%0.403CS..Hα-helixtrans-58.1-50.5176.2-76.2169.4000112.2A58 Y77 P78 G83 I84 Y85A58-L81 HydrophobicContact CB-CD2 3.16Å; A58-L81 HydrophobicContact CB-CG 4.42Å; Y77-L81 HydrophobicContact CD1-CD1 3.4Å; Y77-L81 VanDerWaalsContact CD1-CD1 3.4Å; Y77-L81 HydrophobicContact CD1-CG 3.93Å; Y77-L81 HydrophobicContact CE1-CD1 3.56Å; Y77-L81 HydrophobicContact CE1-CD2 4.05Å; Y77-L81 HydrophobicContact CE1-CG 3.82Å; Y77-L81 HydrophobicContact CG-CD1 4.34Å; Y77-L81 PolarHBondContact O-N 3.2Å; P78-L81 PolarHBondContact O-N 3.3Å; L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 3.13Å; L81-I84 WeakPolarHBondContact O-CB 3.23Å; L81-I84 PolarHBondContact O-N 3.05Å; L81-I84 VanDerWaalsContact O-N 3.13Å; L81-Y85 HydrophobicContact CB-CD2 4.44Å; L81-Y85 HydrophobicContact CB-CE2 4.23Å; L81-Y85 HydrophobicContact CD2-CE2 4.3Å; L81-Y85 WeakPolarHBondContact O-CD2 3.33Å; L81-Y85 PolarHBondContact O-N 2.96Å
82G72.9Confident71.3Confident33 Ų3364.3 Ų64.334%0.3436%0.363SS..Hα-helixtrans-57.1-43.8178.300000112.2P78 I84 Y85 C86P78-G82 PolarHBondContact O-N 3.02Å; G82-I84 PolarHBondContact O-N 3.06Å; G82-Y85 PolarHBondContact O-N 3.11Å; G82-C86 PolarHBondContact O-N 2.89Å; G82-C86 PolarHBondContact O-SG 3.5Å
83G74.2Confident71.7Confident43 Ų4364.7 Ų64.744%0.44336%0.362SS..Hα-helixtrans-60.1-43175.400000113K79 L80 L81 C86 F87K79-G83 PolarHBondContact O-N 3.26Å; K79-G83 VanDerWaalsContact O-N 3.11Å; L80-G83 PolarHBondContact O-N 3.39Å; L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 3.13Å; G83-C86 PolarHBondContact O-N 3.25Å; G83-F87 WeakPolarHBondContact O-CB 3.48Å; G83-F87 PolarHBondContact O-N 3.37Å
84I75.4Confident72.1Confident40 Ų4061.3 Ų61.321%0.20535%0.345CS..Hα-helixtrans-64.4-43177.5-70.3167.8000111.6Q54 L80 L81 G82 F87 S88Q54-I84 HydrophobicContact CB-CG2 3.84Å; Q54-I84 HydrophobicContact CG-CG2 3.57Å; L80-I84 HydrophobicContact CD2-CD1 4.48Å; L80-I84 HydrophobicContact CG-CD1 4.08Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.5Å; L80-I84 PolarHBondContact O-N 3.03Å; L81-I84 WeakPolarHBondContact O-CB 3.23Å; L81-I84 PolarHBondContact O-N 3.05Å; L81-I84 VanDerWaalsContact O-N 3.13Å; G82-I84 PolarHBondContact O-N 3.06Å; I84-F87 PolarHBondContact O-N 2.85Å; I84-S88 WeakPolarHBondContact O-CB 3.37Å; I84-S88 PolarHBondContact O-N 3.03Å; I84-S88 PolarHBondContact O-OG 3.05Å
85Y79.1Confident72.4Confident47 Ų4759.2 Ų59.218%0.18434%0.335CS..Hα-helixtrans-64.5-43.9175.9-74.6-68.1000111.9F6 F51 Q54 S55 L81 G82 F87 S88 V89F6-Y85 AromaticContact CE2-CE1 3.82Å; F6-Y85 HydrophobicContact CE2-CE1 3.82Å; F6-Y85 AromaticContact CE2-CZ 4Å; F6-Y85 AromaticContact CZ-CE1 3.98Å; F6-Y85 HydrophobicContact CZ-CE1 3.98Å; F51-Y85 HydrophobicContact CB-CE1 4.18Å; F51-Y85 AromaticContact CD1-CD1 3.61Å; F51-Y85 HydrophobicContact CD1-CD1 3.61Å; F51-Y85 HydrophobicContact CD1-CE1 4.1Å; F51-Y85 AromaticContact CE1-CD1 3.87Å; F51-Y85 HydrophobicContact CE1-CD1 3.87Å; F51-Y85 HydrophobicContact CG-CD1 4.09Å; F51-Y85 HydrophobicContact CG-CE1 4.2Å; Q54-Y85 HydrophobicContact CB-CE1 4.39Å; S55-Y85 PolarHBondContact OG-OH 3.29Å; L81-Y85 HydrophobicContact CB-CD2 4.44Å; L81-Y85 HydrophobicContact CB-CE2 4.23Å; L81-Y85 HydrophobicContact CD2-CE2 4.3Å; L81-Y85 WeakPolarHBondContact O-CD2 3.33Å; L81-Y85 PolarHBondContact O-N 2.96Å; G82-Y85 PolarHBondContact O-N 3.11Å; Y85-F87 VanDerWaalsContact C-N 3.32Å; Y85-F87 PolarHBondContact O-N 3.47Å; Y85-S88 WeakPolarHBondContact O-CB 3.29Å; Y85-S88 PolarHBondContact O-N 2.91Å; Y85-S88 VanDerWaalsContact O-N 3.13Å; Y85-V89 WeakPolarHBondContact O-CG2 3.21Å; Y85-V89 PolarHBondContact O-N 3.23Å
86C80.2Confident73Confident91 Ų9153.5 Ų53.562%0.61531%0.305SS*.Hα-helixtrans-60-43.3175.4-70.90000111.7G82 G83 S88 V89 A90G82-C86 PolarHBondContact O-N 2.89Å; G82-C86 PolarHBondContact O-SG 3.5Å; G83-C86 PolarHBondContact O-N 3.25Å; C86-S88 VanDerWaalsContact C-N 3.3Å; C86-S88 PolarHBondContact O-N 2.67Å; C86-V89 PolarHBondContact O-N 3.08Å; C86-A90 PolarHBondContact O-N 3.03Å
87F79.3Confident73.4Confident77 Ų7751.5 Ų51.534%0.33829%0.294SS..Hα-helixtrans-62-39.2175-172.8-96.4000111.7G83 I84 Y85 A90 Y91 L134 L137G83-F87 WeakPolarHBondContact O-CB 3.48Å; G83-F87 PolarHBondContact O-N 3.37Å; I84-F87 PolarHBondContact O-N 2.85Å; Y85-F87 VanDerWaalsContact C-N 3.32Å; Y85-F87 PolarHBondContact O-N 3.47Å; F87-A90 PolarHBondContact O-N 3.23Å; F87-Y91 WeakPolarHBondContact O-CB 3.07Å; F87-Y91 PolarHBondContact O-N 3.46Å; F87-L134 HydrophobicContact CZ-CD2 4Å; F87-L137 HydrophobicContact CE1-CB 3.77Å; F87-L137 HydrophobicContact CE2-CD1 4.39Å; F87-L137 HydrophobicContact CZ-CB 3.52Å; F87-L137 HydrophobicContact CZ-CD1 3.82Å; F87-L137 HydrophobicContact CZ-CG 4.27Å
88S75.7Confident73.3Confident2 Ų252.8 Ų52.81%0.01430%0.299CS..Hα-helixtrans-66.4-36.6177-60.40000113Q54 I84 Y85 C86 Y91 N92Q54-S88 WeakPolarHBondContact CG-OG 3.25Å; I84-S88 WeakPolarHBondContact O-CB 3.37Å; I84-S88 PolarHBondContact O-N 3.03Å; I84-S88 PolarHBondContact O-OG 3.05Å; Y85-S88 WeakPolarHBondContact O-CB 3.29Å; Y85-S88 PolarHBondContact O-N 2.91Å; Y85-S88 VanDerWaalsContact O-N 3.13Å; C86-S88 VanDerWaalsContact C-N 3.3Å; C86-S88 PolarHBondContact O-N 2.67Å; S88-Y91 WeakPolarHBondContact O-CB 3.41Å; S88-N92 WeakPolarHBondContact O-CB 3.36Å; S88-N92 PolarHBondContact O-N 3.42Å; S88-N92 PolarHBondContact O-ND2 2.99Å
89V79.7Confident73.3Confident52 Ų5250.2 Ų50.232%0.31528%0.281SS..Hα-helixtrans-64.2-47.9172.4173.40000109.9L47 F51 Y85 C86 Y91 N92 I93L47-V89 HydrophobicContact CD1-CG2 4.1Å; F51-V89 HydrophobicContact CE1-CG2 3.92Å; F51-V89 HydrophobicContact CZ-CG2 3.61Å; Y85-V89 WeakPolarHBondContact O-CG2 3.21Å; Y85-V89 PolarHBondContact O-N 3.23Å; C86-V89 PolarHBondContact O-N 3.08Å; V89-Y91 VanDerWaalsContact C-N 3.33Å; V89-Y91 PolarHBondContact O-N 3.4Å; V89-N92 PolarHBondContact O-N 3.39Å; V89-I93 HydrophobicContact CG1-CD1 3.71Å; V89-I93 HydrophobicContact CG1-CG1 4.36Å; V89-I93 VanDerWaalsContact O-CG1 3.28Å; V89-I93 WeakPolarHBondContact O-CG1 3.48Å; V89-I93 PolarHBondContact O-N 3.12Å
90A78.4Confident73.2Confident46 Ų4645.5 Ų45.538%0.3826%0.264SS..Hα-helixtrans-60.7-43.4177.300000111.8C86 F87 N92 I93 V94C86-A90 PolarHBondContact O-N 3.03Å; F87-A90 PolarHBondContact O-N 3.23Å; A90-N92 PolarHBondContact O-N 2.96Å; A90-I93 PolarHBondContact O-N 2.94Å; A90-V94 WeakPolarHBondContact O-CG2 3.46Å; A90-V94 PolarHBondContact O-N 3.02Å
91Y76.9Confident73Confident20 Ų2044.4 Ų44.48%0.07826%0.258CS..Hα-helixtrans-52.6-55.6173.2172.8-96000110.9F87 S88 V89 I93 V94 T95 L134 D139F87-Y91 WeakPolarHBondContact O-CB 3.07Å; F87-Y91 PolarHBondContact O-N 3.46Å; S88-Y91 WeakPolarHBondContact O-CB 3.41Å; V89-Y91 VanDerWaalsContact C-N 3.33Å; V89-Y91 PolarHBondContact O-N 3.4Å; Y91-I93 VanDerWaalsContact C-N 3.35Å; Y91-I93 PolarHBondContact O-N 2.75Å; Y91-V94 PolarHBondContact O-N 3.12Å; Y91-T95 HydrophobicContact CD1-CG2 4.48Å; Y91-T95 HydrophobicContact CD2-CG2 4.18Å; Y91-T95 HydrophobicContact CE1-CG2 4.22Å; Y91-T95 HydrophobicContact CE2-CG2 3.82Å; Y91-T95 HydrophobicContact CG-CG2 4.46Å; Y91-T95 WeakPolarHBondContact O-CG2 3.3Å; Y91-T95 PolarHBondContact O-N 3.38Å; Y91-T95 PolarHBondContact O-OG1 3.17Å; Y91-L134 HydrophobicContact CD2-CB 3.43Å; Y91-L134 VanDerWaalsContact CD2-CB 3.43Å; Y91-L134 HydrophobicContact CD2-CD1 3.91Å; Y91-L134 HydrophobicContact CD2-CD2 3.97Å; Y91-L134 HydrophobicContact CD2-CG 3.96Å; Y91-L134 WeakPolarHBondContact CD2-O 3.44Å; Y91-L134 HydrophobicContact CE2-CB 3.59Å; Y91-L134 VanDerWaalsContact CE2-O 3.28Å; Y91-L134 WeakPolarHBondContact CE2-O 3.4Å; Y91-L134 HydrophobicContact CG-CD1 4.46Å; Y91-D139 PolarHBondContact OH-OD2 3.45Å
92N75.6Confident72.8Confident1 Ų144.6 Ų44.61%0.00526%0.259CS..Hα-helixtrans-64.4-37.1-179-82.7-81000112.8F43 N46 L47 T50 S88 V89 A90 V94 T95 N96F43-N92 HydrophobicContact CD2-CB 4.25Å; F43-N92 HydrophobicContact CE2-CB 3.82Å; N46-N92 VanDerWaalsContact CB-OD1 3.26Å; N46-N92 WeakPolarHBondContact CB-OD1 3.43Å; N46-N92 PolarHBondContact O-OD1 2.83Å; L47-N92 HydrophobicContact CB-CB 4.43Å; L47-N92 HydrophobicContact CD1-CB 3.88Å; L47-N92 PolarHBondContact N-OD1 2.76Å; L47-N92 VanDerWaalsContact N-OD1 3.15Å; T50-N92 WeakPolarHBondContact CB-ND2 3.31Å; T50-N92 PolarHBondContact OG1-ND2 3.36Å; S88-N92 WeakPolarHBondContact O-CB 3.36Å; S88-N92 PolarHBondContact O-N 3.42Å; S88-N92 PolarHBondContact O-ND2 2.99Å; V89-N92 PolarHBondContact O-N 3.39Å; A90-N92 PolarHBondContact O-N 2.96Å; N92-V94 VanDerWaalsContact C-N 3.33Å; N92-V94 PolarHBondContact O-N 3.19Å; N92-T95 WeakPolarHBondContact CA-OG1 3.36Å; N92-T95 PolarHBondContact O-OG1 3.33Å; N92-N96 VanDerWaalsContact O-CB 3.28Å; N92-N96 WeakPolarHBondContact O-CB 3.34Å; N92-N96 PolarHBondContact O-N 3.43Å; N92-N96 PolarHBondContact O-ND2 3.48Å
93I75.8Confident72.5Confident80 Ų8043.6 Ų43.641%0.4125%0.246SC..Hα-helixtrans-61.8-46.3178-72.3168.2000109.7F43 V89 A90 Y91 L97F43-I93 HydrophobicContact CE2-CG1 3.89Å; F43-I93 HydrophobicContact CZ-CG1 4.04Å; V89-I93 HydrophobicContact CG1-CD1 3.71Å; V89-I93 HydrophobicContact CG1-CG1 4.36Å; V89-I93 VanDerWaalsContact O-CG1 3.28Å; V89-I93 WeakPolarHBondContact O-CG1 3.48Å; V89-I93 PolarHBondContact O-N 3.12Å; A90-I93 PolarHBondContact O-N 2.94Å; Y91-I93 VanDerWaalsContact C-N 3.35Å; Y91-I93 PolarHBondContact O-N 2.75Å; I93-L97 WeakPolarHBondContact O-CA 3.27Å; I93-L97 WeakPolarHBondContact O-CB 3.35Å; I93-L97 PolarHBondContact O-N 3.36Å
94V72.6Confident72.4Confident35 Ų3546.1 Ų46.121%0.21225%0.245CC..Hα-helixtrans-77.5-40.6-175.3-173.50000112.2A90 Y91 N92 N96 L97 L127 F130 L134A90-V94 WeakPolarHBondContact O-CG2 3.46Å; A90-V94 PolarHBondContact O-N 3.02Å; Y91-V94 PolarHBondContact O-N 3.12Å; N92-V94 VanDerWaalsContact C-N 3.33Å; N92-V94 PolarHBondContact O-N 3.19Å; V94-N96 PolarHBondContact O-N 2.99Å; V94-L97 WeakPolarHBondContact O-CB 3.31Å; V94-L97 PolarHBondContact O-N 3.02Å; V94-L127 HydrophobicContact CG1-CD1 4.48Å; V94-F130 HydrophobicContact CB-CD1 3.87Å; V94-F130 HydrophobicContact CB-CE1 3.54Å; V94-F130 HydrophobicContact CG1-CD1 3.17Å; V94-F130 HydrophobicContact CG1-CE1 3.32Å; V94-F130 HydrophobicContact CG1-CG 4.2Å; V94-F130 HydrophobicContact CG1-CZ 4.45Å; V94-F130 HydrophobicContact CG2-CD1 4.35Å; V94-F130 HydrophobicContact CG2-CE1 3.59Å; V94-F130 HydrophobicContact CG2-CZ 4.28Å; V94-L134 HydrophobicContact CB-CD1 3.82Å; V94-L134 HydrophobicContact CG1-CD1 4.33Å
95T69.7Low72.2Confident30 Ų3046.3 Ų46.318%0.18425%0.246CC..Hα-helixtrans-64.7-25.2176570000112.2Y91 N92 Y98 L134Y91-T95 HydrophobicContact CD1-CG2 4.48Å; Y91-T95 HydrophobicContact CD2-CG2 4.18Å; Y91-T95 HydrophobicContact CE1-CG2 4.22Å; Y91-T95 HydrophobicContact CE2-CG2 3.82Å; Y91-T95 HydrophobicContact CG-CG2 4.46Å; Y91-T95 WeakPolarHBondContact O-CG2 3.3Å; Y91-T95 PolarHBondContact O-N 3.38Å; Y91-T95 PolarHBondContact O-OG1 3.17Å; N92-T95 WeakPolarHBondContact CA-OG1 3.36Å; N92-T95 PolarHBondContact O-OG1 3.33Å; T95-Y98 WeakPolarHBondContact O-CD1 3.28Å; T95-Y98 WeakPolarHBondContact O-CE1 3.02Å; T95-L134 HydrophobicContact CG2-CD1 3.97Å
96N70.9Confident71.8Confident4 Ų447.3 Ų47.32%0.02125%0.254CS..Hα-helixtrans-101.4-0.7176.1-61.8-70.9000113.5S41 F43 N46 N92 V94 Y98 L99 I100S41-N96 PolarHBondContact O-OD1 3.13Å; F43-N96 HydrophobicContact CB-CB 4.29Å; F43-N96 HydrophobicContact CD2-CB 3.87Å; N46-N96 PolarHBondContact ND2-OD1 2.9Å; N92-N96 VanDerWaalsContact O-CB 3.28Å; N92-N96 WeakPolarHBondContact O-CB 3.34Å; N92-N96 PolarHBondContact O-N 3.43Å; N92-N96 PolarHBondContact O-ND2 3.48Å; V94-N96 PolarHBondContact O-N 2.99Å; N96-Y98 PolarHBondContact O-N 3.43Å; N96-L99 HydrophobicContact CB-CD1 4.35Å; N96-L99 WeakPolarHBondContact O-CB 3.46Å; N96-L99 PolarHBondContact O-N 2.93Å; N96-L99 WeakPolarHBondContact OD1-CD1 3.28Å; N96-I100 PolarHBondContact O-N 2.88Å
97L69.1Low71.5Confident79 Ų7952.3 Ų52.341%0.41427%0.269SS..Hα-helixtrans-58-35.9179.8-16970000111.5I93 V94 L99 I100 L101I93-L97 WeakPolarHBondContact O-CA 3.27Å; I93-L97 WeakPolarHBondContact O-CB 3.35Å; I93-L97 PolarHBondContact O-N 3.36Å; V94-L97 WeakPolarHBondContact O-CB 3.31Å; V94-L97 PolarHBondContact O-N 3.02Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 3.23Å; L97-I100 HydrophobicContact CD1-CD1 4.36Å; L97-I100 WeakPolarHBondContact O-CB 3.28Å; L97-I100 PolarHBondContact O-N 2.96Å; L97-L101 PolarHBondContact O-N 2.89Å
98Y66.1Low71.1Confident46 Ų4652.9 Ų52.918%0.1828%0.279CS..Hα-helixtrans-65.6-30.7176.684-91000112.9T95 N96 I100 L101 L102 L127 R203T95-Y98 WeakPolarHBondContact O-CD1 3.28Å; T95-Y98 WeakPolarHBondContact O-CE1 3.02Å; N96-Y98 PolarHBondContact O-N 3.43Å; Y98-I100 VanDerWaalsContact C-N 3.31Å; Y98-L101 WeakPolarHBondContact O-CB 3.36Å; Y98-L101 PolarHBondContact O-N 2.9Å; Y98-L102 HydrophobicContact CD2-CD1 3.6Å; Y98-L102 HydrophobicContact CE2-CD1 3.95Å; Y98-L102 WeakPolarHBondContact O-CG 3.33Å; Y98-L102 PolarHBondContact O-N 2.83Å; Y98-L127 VanDerWaalsContact CB-CD2 3.45Å; Y98-L127 HydrophobicContact CG-CD2 4.37Å; Y98-R203 PolarHBondContact OH-NH1 3.46Å
99L63.5Low70.5Confident21 Ų2154.3 Ų54.311%0.1129%0.293CS..Hα-helixtrans-73.1-29.2177.9-66167.2000111.3S41 N96 L97 L101 L102 V103S41-L99 WeakPolarHBondContact O-CD1 3.39Å; N96-L99 HydrophobicContact CB-CD1 4.35Å; N96-L99 WeakPolarHBondContact O-CB 3.46Å; N96-L99 PolarHBondContact O-N 2.93Å; N96-L99 WeakPolarHBondContact OD1-CD1 3.28Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 3.23Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 3.49Å; L99-L102 PolarHBondContact O-N 3.15Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 2.92Å
100I64.4Low69.9Low77 Ų7757.6 Ų57.640%0.39531%0.305SS..Hα-helixtrans-62.7-40.8171.3-59.3175.9000109.8H37 N96 L97 Y98H37-I100 PolarHBondContact CE1-O 3.48Å; H37-I100 PolarHBondContact ND1-O 3.26Å; N96-I100 PolarHBondContact O-N 2.88Å; L97-I100 HydrophobicContact CD1-CD1 4.36Å; L97-I100 WeakPolarHBondContact O-CB 3.28Å; L97-I100 PolarHBondContact O-N 2.96Å; Y98-I100 VanDerWaalsContact C-N 3.31Å
101L64.1Low69.4Low73 Ų7358.2 Ų58.238%0.38231%0.306SS..Hα-helixtrans-69.1-35.4177.4-68.8176.2000112.6L97 Y98 L99 V103 M117 I119L97-L101 PolarHBondContact O-N 2.89Å; Y98-L101 WeakPolarHBondContact O-CB 3.36Å; Y98-L101 PolarHBondContact O-N 2.9Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 3.49Å; L101-V103 PolarHBondContact O-N 2.82Å; L101-M117 HydrophobicContact CB-CE 4.17Å; L101-M117 HydrophobicContact CB-SD 3.58Å; L101-M117 VanDerWaalsContact CB-SD 3.58Å; L101-M117 HydrophobicContact CD2-CE 4.02Å; L101-M117 HydrophobicContact CD2-SD 4.05Å; L101-M117 HydrophobicContact CG-SD 4.32Å; L101-M117 WeakPolarHBondContact O-CE 3.15Å; L101-I119 HydrophobicContact CB-CD1 4.49Å; L101-I119 HydrophobicContact CD1-CD1 4.01Å; L101-I119 HydrophobicContact CD1-CG1 4.47Å
102L66.2Low68.9Low39 Ų3959.3 Ų59.320%0.20432%0.315CS..Hα-helixtrans-82.6-7.1-175.4-74.3176.7000114.7Y98 L99 I113 N114Y98-L102 HydrophobicContact CD2-CD1 3.6Å; Y98-L102 HydrophobicContact CE2-CD1 3.95Å; Y98-L102 WeakPolarHBondContact O-CG 3.33Å; Y98-L102 PolarHBondContact O-N 2.83Å; L99-L102 PolarHBondContact O-N 3.15Å; L102-I113 HydrophobicContact CB-CG2 4.24Å; L102-I113 CarbonylContact O-C 3.56Å; L102-I113 VanDerWaalsContact O-CA 3.27Å; L102-I113 WeakPolarHBondContact O-CA 3.2Å; L102-N114 WeakPolarHBondContact CD2-O 3.36Å; L102-N114 PolarHBondContact O-N 3.24Å
103V66.1Low68.5Low12 Ų1265.1 Ų65.17%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-108.3130.4-172.9174.90000110.4C36 H37 T40 L99 L101C36-V103 WeakPolarHBondContact SG-CG1 3.46Å; H37-V103 PolarHBondContact CE1-O 3.29Å; T40-V103 HydrophobicContact CG2-CG1 4.01Å; T40-V103 HydrophobicContact CG2-CG2 4.42Å; T40-V103 WeakPolarHBondContact OG1-CG1 3.4Å; T40-V103 WeakPolarHBondContact OG1-CG2 3.47Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 2.92Å; L101-V103 PolarHBondContact O-N 2.82Å
104K70.7Confident68.2Low96 Ų9663.3 Ų63.342%0.41734%0.336SS..EExtended strand (participates in β ladder)trans-125.6155.9172.568.7178.4176.9-173.40110.3V112 N114K104-V112 HydrophobicContact CD-CG2 4.11Å; K104-V112 HydrophobicContact CG-CG2 3.47Å; K104-V112 VanDerWaalsContact CG-CG2 3.47Å; K104-V112 PolarHBondContact N-O 2.9Å; K104-V112 PolarHBondContact O-N 3.5Å; K104-V112 VanDerWaalsContact O-O 3.05Å; K104-N114 HydrophobicContact CB-CB 4.4Å; K104-N114 HydrophobicContact CD-CB 3.8Å; K104-N114 HydrophobicContact CG-CB 3.99Å; K104-N114 PolarHBondContact NZ-OD1 3.37Å
105I71.4Confident67.7Low44 Ų4464 Ų6423%0.22634%0.342CS..EExtended strand (participates in β ladder)trans-88124.7166.3-65.1-172.6000108N32 I33 C36 Q110N32-I105 HydrophobicContact CB-CD1 3.87Å; I33-I105 HydrophobicContact CB-CD1 4.26Å; I33-I105 HydrophobicContact CG1-CD1 3.5Å; I33-I105 VanDerWaalsContact CG1-CD1 3.5Å; I33-I105 HydrophobicContact CG1-CG1 4.3Å; C36-I105 HydrophobicContact CB-CG1 4.46Å; I105-Q110 CarbonylContact C-O 3.54Å; I105-Q110 WeakPolarHBondContact CA-O 3.35Å
106D72Confident67.2Low68 Ų6868.8 Ų68.836%0.36437%0.366SS..  trans-74.5168.6173.1-162.212.1000111.1T108 G109 Q110 V112D106-T108 PolarHBondContact O-N 2.82Å; D106-G109 PolarHBondContact O-N 3.29Å; D106-Q110 PolarHBondContact N-O 2.9Å; D106-V112 HydrophobicContact CB-CG1 4.12Å; D106-V112 HydrophobicContact CB-CG2 3.95Å
107Q72.6Confident66.7Low197 Ų19771.7 Ų71.792%0.92138%0.381SS*.THydrogen-bonded Turntrans-56.9-21.4-178.6-61.4-176.5-1000113.6G109Q107-G109 VanDerWaalsContact C-N 3.33Å
108T70.7Confident66Low89 Ų8976.2 Ų76.255%0.54641%0.405SS..THydrogen-bonded Turntrans-86.31.2176.957.60000113.8D106 Q110D106-T108 PolarHBondContact O-N 2.82Å; T108-Q110 VanDerWaalsContact C-N 3.25Å; T108-Q110 PolarHBondContact O-N 3.02Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.14Å
109G64.9Low65.9Low31 Ų3175.8 Ų75.832%0.3241%0.405SS..SBendtrans79.84.6-17400000113.9D106 Q107D106-G109 PolarHBondContact O-N 3.29Å; Q107-G109 VanDerWaalsContact C-N 3.33Å
110Q66.3Low66.1Low122 Ų12277.3 Ų77.357%0.5742%0.417SS*.  trans-84.7143179.7-67.3-173.8-8.700112.1I105 D106 T108 V112I105-Q110 CarbonylContact C-O 3.54Å; I105-Q110 WeakPolarHBondContact CA-O 3.35Å; D106-Q110 PolarHBondContact N-O 2.9Å; T108-Q110 VanDerWaalsContact C-N 3.25Å; T108-Q110 PolarHBondContact O-N 3.02Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.14Å; Q110-V112 PolarHBondContact O-N 3.42Å
111C67.3Low66.5Low59 Ų5978.3 Ų78.340%0.39943%0.431SS..EExtended strand (participates in β ladder)trans-74.2117.7173-70.30000111.5C36 T40C36-C111 WeakPolarHBondContact CA-SG 3.45Å; C36-C111 HydrophobicContact CB-CB 4.33Å; C36-C111 WeakPolarHBondContact CB-SG 3.46Å; C36-C111 VanDerWaalsContact SG-CA 3.52Å; C36-C111 WeakPolarHBondContact SG-CB 3.43Å; C36-C111 CovalentContact SG-SG 2.01Å; C36-C111 PolarHBondContact SG-SG 3.32Å; T40-C111 HydrophobicContact CG2-CB 3.59Å
112V68Low67Low43 Ų4380.2 Ų80.226%0.26144%0.441SS..EExtended strand (participates in β ladder)trans-127.7147177.1-60.40000111.1K104 D106 Q110 N114K104-V112 HydrophobicContact CD-CG2 4.11Å; K104-V112 HydrophobicContact CG-CG2 3.47Å; K104-V112 VanDerWaalsContact CG-CG2 3.47Å; K104-V112 PolarHBondContact N-O 2.9Å; K104-V112 PolarHBondContact O-N 3.5Å; K104-V112 VanDerWaalsContact O-O 3.05Å; D106-V112 HydrophobicContact CB-CG1 4.12Å; D106-V112 HydrophobicContact CB-CG2 3.95Å; Q110-V112 PolarHBondContact O-N 3.42Å; V112-N114 PolarHBondContact O-N 2.83Å
113I66.8Low67.2Low122 Ų12282.6 Ų82.663%0.62645%0.454SS*.EExtended strand (participates in β ladder)trans-79.8118.2175.9-60.8173.4000108.4L102 S115L102-I113 HydrophobicContact CB-CG2 4.24Å; L102-I113 CarbonylContact O-C 3.56Å; L102-I113 VanDerWaalsContact O-CA 3.27Å; L102-I113 WeakPolarHBondContact O-CA 3.2Å; I113-S115 PolarHBondContact O-N 3.41Å
114N68.3Low67.4Low42 Ų4287 Ų8723%0.22547%0.469CS..  trans-82.292.4170.3-165.727.8000110.4L102 K104 V112 N116L102-N114 WeakPolarHBondContact CD2-O 3.36Å; L102-N114 PolarHBondContact O-N 3.24Å; K104-N114 HydrophobicContact CB-CB 4.4Å; K104-N114 HydrophobicContact CD-CB 3.8Å; K104-N114 HydrophobicContact CG-CB 3.99Å; K104-N114 PolarHBondContact NZ-OD1 3.37Å; V112-N114 PolarHBondContact O-N 2.83Å; N114-N116 PolarHBondContact O-N 2.87Å
115S62.5Low67.6Low49 Ų4987.2 Ų87.234%0.34347%0.474SS..THydrogen-bonded Turntrans-62.4-23.1175.447.60000114.2I113 M117 Y209I113-S115 PolarHBondContact O-N 3.41Å; S115-M117 VanDerWaalsContact C-N 3.29Å; S115-M117 PolarHBondContact O-N 3.5Å; S115-Y209 WeakPolarHBondContact CB-OH 3.42Å
116N59.2Low67.9Low131 Ų13189.4 Ų89.470%0.70149%0.486SS*.THydrogen-bonded Turntrans-89.516.6-170-64.7-1.9000113.9N114 L118N114-N116 PolarHBondContact O-N 2.87Å; N116-L118 PolarHBondContact O-N 3.25Å; N116-L118 VanDerWaalsContact O-N 3.14Å
117M61.5Low67.9Low66 Ų6688.2 Ų88.233%0.32548%0.48SS..  trans-72.3112.3178.7-142.7-159.8-13600110.6L101 S115 I119 R124L101-M117 HydrophobicContact CB-CE 4.17Å; L101-M117 HydrophobicContact CB-SD 3.58Å; L101-M117 VanDerWaalsContact CB-SD 3.58Å; L101-M117 HydrophobicContact CD2-CE 4.02Å; L101-M117 HydrophobicContact CD2-SD 4.05Å; L101-M117 HydrophobicContact CG-SD 4.32Å; L101-M117 WeakPolarHBondContact O-CE 3.15Å; S115-M117 VanDerWaalsContact C-N 3.29Å; S115-M117 PolarHBondContact O-N 3.5Å; M117-I119 PolarHBondContact O-N 2.91Å; M117-I119 HydrophobicContact SD-CG1 4.35Å; M117-R124 PolarHBondContact O-NH2 3.46Å
118L54.5Low68Low174 Ų17481.4 Ų81.491%0.91145%0.452SS*.  trans-72.177.5173.1-75.6157.8000109.6N116N116-L118 PolarHBondContact O-N 3.25Å; N116-L118 VanDerWaalsContact O-N 3.14Å
119I64Low68.4Low37 Ų3781.3 Ų81.319%0.1945%0.447CS..  trans-75.1132162.6-55.1171.5000106.6L101 M117 D123 R124L101-I119 HydrophobicContact CB-CD1 4.49Å; L101-I119 HydrophobicContact CD1-CD1 4.01Å; L101-I119 HydrophobicContact CD1-CG1 4.47Å; M117-I119 PolarHBondContact O-N 2.91Å; M117-I119 HydrophobicContact SD-CG1 4.35Å; I119-D123 HydrophobicContact CG2-CB 3.73Å; I119-R124 HydrophobicContact CB-CG 3.85Å; I119-R124 HydrophobicContact CG2-CG 3.61Å; I119-R124 PolarHBondContact O-NE 3.41Å
120S67.4Low69Low52 Ų5284.5 Ų84.536%0.36445%0.452SS..  trans-57.6148.3177.284.80000110.3I122 D123 R124S120-I122 PolarHBondContact O-N 3.34Å; S120-D123 WeakPolarHBondContact CB-OD2 3.37Å; S120-D123 PolarHBondContact O-N 3.12Å; S120-D123 PolarHBondContact OG-N 3.49Å; S120-D123 VanDerWaalsContact OG-N 3.16Å; S120-D123 PolarHBondContact OG-OD2 3.05Å; S120-R124 WeakPolarHBondContact O-CG 3.48Å; S120-R124 PolarHBondContact O-N 3.16Å
121S71.4Confident69.3Low99 Ų9979.8 Ų79.869%0.69244%0.436SS*.Hα-helixtrans-59.9-30.8-179.951.60000112.6L125S121-L125 PolarHBondContact O-N 3.24Å; S121-L125 VanDerWaalsContact O-N 3.08Å
122I74.9Confident69.8Low113 Ų11383.2 Ų83.258%0.57944%0.442SS*.Hα-helixtrans-68.1-51.2177.5-61.7168.5000110S120 R124 L125 D126S120-I122 PolarHBondContact O-N 3.34Å; I122-R124 PolarHBondContact O-N 3.02Å; I122-L125 WeakPolarHBondContact O-CB 3.31Å; I122-L125 PolarHBondContact O-N 3.48Å; I122-D126 PolarHBondContact O-N 3.2Å
123D71.5Confident70.4Confident89 Ų8984.4 Ų84.448%0.47645%0.449SS..Hα-helixtrans-63.2-34179.7-58.6-41.7000111.6I119 S120 L127I119-D123 HydrophobicContact CG2-CB 3.73Å; S120-D123 WeakPolarHBondContact CB-OD2 3.37Å; S120-D123 PolarHBondContact O-N 3.12Å; S120-D123 PolarHBondContact OG-N 3.49Å; S120-D123 VanDerWaalsContact OG-N 3.16Å; S120-D123 PolarHBondContact OG-OD2 3.05Å; D123-L127 VanDerWaalsContact O-CB 3.24Å; D123-L127 WeakPolarHBondContact O-CB 3.13Å; D123-L127 PolarHBondContact O-N 3.46Å
124R70.1Confident70.8Confident103 Ų10379 Ų7939%0.38942%0.421SS..Hα-helixtrans-63.5-45173.1-71.9-177.2-179.7-166.2-3.5111.5M117 I119 S120 I122 V128M117-R124 PolarHBondContact O-NH2 3.46Å; I119-R124 HydrophobicContact CB-CG 3.85Å; I119-R124 HydrophobicContact CG2-CG 3.61Å; I119-R124 PolarHBondContact O-NE 3.41Å; S120-R124 WeakPolarHBondContact O-CG 3.48Å; S120-R124 PolarHBondContact O-N 3.16Å; I122-R124 PolarHBondContact O-N 3.02Å; R124-V128 WeakPolarHBondContact O-CB 3.28Å; R124-V128 VanDerWaalsContact O-CG2 3.23Å; R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 3.02Å
125L74.8Confident71.2Confident102 Ų10277.7 Ų77.753%0.53441%0.414SS..Hα-helixtrans-64.1-45.9178.9-177.366.7000111S121 I122 L127 V128 I129S121-L125 PolarHBondContact O-N 3.24Å; S121-L125 VanDerWaalsContact O-N 3.08Å; I122-L125 WeakPolarHBondContact O-CB 3.31Å; I122-L125 PolarHBondContact O-N 3.48Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 2.95Å; L125-V128 PolarHBondContact O-N 3.32Å; L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD1-CG1 4.41Å; L125-I129 HydrophobicContact CD2-CD1 4.4Å; L125-I129 HydrophobicContact CG-CD1 3.83Å; L125-I129 HydrophobicContact CG-CG1 4.43Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.17Å; L125-I129 PolarHBondContact O-N 2.95Å
126D77Confident72.1Confident90 Ų9079.1 Ų79.148%0.48142%0.417SS..Hα-helixtrans-61.5-43179.1-74.3-17.5000111.6I122 V128 I129 F130I122-D126 PolarHBondContact O-N 3.2Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 PolarHBondContact O-N 2.86Å; D126-I129 PolarHBondContact O-N 3Å; D126-F130 VanDerWaalsContact O-CB 3.23Å; D126-F130 WeakPolarHBondContact O-CB 3.32Å; D126-F130 PolarHBondContact O-N 3.4Å
127L72.5Confident73Confident43 Ų4376.5 Ų76.523%0.22540%0.403CS..Hα-helixtrans-62.9-40.4175.6-175.178.4000112V94 Y98 D123 L125 G131V94-L127 HydrophobicContact CG1-CD1 4.48Å; Y98-L127 VanDerWaalsContact CB-CD2 3.45Å; Y98-L127 HydrophobicContact CG-CD2 4.37Å; D123-L127 VanDerWaalsContact O-CB 3.24Å; D123-L127 WeakPolarHBondContact O-CB 3.13Å; D123-L127 PolarHBondContact O-N 3.46Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 2.95Å; L127-G131 PolarHBondContact O-N 3.17Å
128V75.2Confident73.5Confident54 Ų5473.7 Ų73.733%0.32739%0.391SS..Hα-helixtrans-66.3-47.4176.9167.90000110.9R124 L125 D126 F130 G131 Y132 F206R124-V128 WeakPolarHBondContact O-CB 3.28Å; R124-V128 VanDerWaalsContact O-CG2 3.23Å; R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 3.02Å; L125-V128 PolarHBondContact O-N 3.32Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 PolarHBondContact O-N 2.86Å; V128-F130 VanDerWaalsContact C-N 3.34Å; V128-F130 PolarHBondContact O-N 2.9Å; V128-G131 PolarHBondContact O-N 3.34Å; V128-Y132 HydrophobicContact CG1-CD2 3.74Å; V128-Y132 HydrophobicContact CG1-CE2 3.43Å; V128-Y132 VanDerWaalsContact CG1-CE2 3.43Å; V128-Y132 WeakPolarHBondContact O-CD2 3.4Å; V128-Y132 PolarHBondContact O-N 3.42Å; V128-F206 HydrophobicContact CG2-CE1 4.4Å
129I78.7Confident74.5Confident87 Ų8766.1 Ų66.145%0.44635%0.351SS..Hα-helixtrans-59.6-48.1177.1-68.9169.3000109.9L125 D126 G131 Y132 V133L125-I129 HydrophobicContact CD1-CD1 4.19Å; L125-I129 HydrophobicContact CD1-CG1 4.41Å; L125-I129 HydrophobicContact CD2-CD1 4.4Å; L125-I129 HydrophobicContact CG-CD1 3.83Å; L125-I129 HydrophobicContact CG-CG1 4.43Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.17Å; L125-I129 PolarHBondContact O-N 2.95Å; D126-I129 PolarHBondContact O-N 3Å; I129-G131 VanDerWaalsContact C-N 3.3Å; I129-G131 PolarHBondContact O-N 2.84Å; I129-Y132 PolarHBondContact O-N 2.99Å; I129-V133 HydrophobicContact CG2-CG2 4.49Å; I129-V133 WeakPolarHBondContact O-CG2 3.47Å; I129-V133 PolarHBondContact O-N 3.45Å
130F76.5Confident75.3Confident97 Ų9766.9 Ų66.943%0.42536%0.355SS..Hα-helixtrans-62.4-40.4178.7-164.3-88.8000111.4V94 D126 V128 Y132 V133 L134V94-F130 HydrophobicContact CB-CD1 3.87Å; V94-F130 HydrophobicContact CB-CE1 3.54Å; V94-F130 HydrophobicContact CG1-CD1 3.17Å; V94-F130 HydrophobicContact CG1-CE1 3.32Å; V94-F130 HydrophobicContact CG1-CG 4.2Å; V94-F130 HydrophobicContact CG1-CZ 4.45Å; V94-F130 HydrophobicContact CG2-CD1 4.35Å; V94-F130 HydrophobicContact CG2-CE1 3.59Å; V94-F130 HydrophobicContact CG2-CZ 4.28Å; D126-F130 VanDerWaalsContact O-CB 3.23Å; D126-F130 WeakPolarHBondContact O-CB 3.32Å; D126-F130 PolarHBondContact O-N 3.4Å; V128-F130 VanDerWaalsContact C-N 3.34Å; V128-F130 PolarHBondContact O-N 2.9Å; F130-Y132 PolarHBondContact O-N 2.68Å; F130-V133 PolarHBondContact O-N 3.13Å; F130-L134 HydrophobicContact CD1-CD1 3.56Å; F130-L134 HydrophobicContact CD1-CG 3.74Å; F130-L134 HydrophobicContact CE1-CD1 3.34Å; F130-L134 HydrophobicContact CE1-CD2 4.02Å; F130-L134 HydrophobicContact CE1-CG 3.54Å; F130-L134 HydrophobicContact CZ-CD1 4.46Å; F130-L134 HydrophobicContact CZ-CD2 4.44Å; F130-L134 HydrophobicContact CZ-CG 4.34Å; F130-L134 WeakPolarHBondContact O-CB 3.49Å; F130-L134 WeakPolarHBondContact O-CG 3.34Å; F130-L134 PolarHBondContact O-N 3.38Å
131G74.1Confident76Confident24 Ų2468.1 Ų68.125%0.24736%0.357CS..Hα-helixtrans-58-42.4172.800000113.1L127 V128 I129 L135L127-G131 PolarHBondContact O-N 3.17Å; V128-G131 PolarHBondContact O-N 3.34Å; I129-G131 VanDerWaalsContact C-N 3.3Å; I129-G131 PolarHBondContact O-N 2.84Å; G131-L135 WeakPolarHBondContact O-CB 3.47Å; G131-L135 PolarHBondContact O-N 2.95Å
132Y77.4Confident76.4Confident130 Ų13064.5 Ų64.551%0.5133%0.331SS..Hα-helixtrans-68-43.5174.9-78.2-63.6000113.1V128 I129 F130 L134 L135 I136V128-Y132 HydrophobicContact CG1-CD2 3.74Å; V128-Y132 HydrophobicContact CG1-CE2 3.43Å; V128-Y132 VanDerWaalsContact CG1-CE2 3.43Å; V128-Y132 WeakPolarHBondContact O-CD2 3.4Å; V128-Y132 PolarHBondContact O-N 3.42Å; I129-Y132 PolarHBondContact O-N 2.99Å; F130-Y132 PolarHBondContact O-N 2.68Å; Y132-L134 PolarHBondContact O-N 2.82Å; Y132-L135 HydrophobicContact CD1-CD2 4.37Å; Y132-L135 WeakPolarHBondContact O-CB 3.43Å; Y132-L135 PolarHBondContact O-N 2.91Å; Y132-I136 VanDerWaalsContact O-CG1 3.29Å; Y132-I136 WeakPolarHBondContact O-CG1 3.49Å; Y132-I136 PolarHBondContact O-N 3.34Å
133V79.6Confident76.8Confident69 Ų6960.2 Ų60.242%0.41831%0.308SS..Hα-helixtrans-58.2-45176.2169.60000110.2I129 F130 I136 L137I129-V133 HydrophobicContact CG2-CG2 4.49Å; I129-V133 WeakPolarHBondContact O-CG2 3.47Å; I129-V133 PolarHBondContact O-N 3.45Å; F130-V133 PolarHBondContact O-N 3.13Å; V133-I136 PolarHBondContact O-N 2.93Å; V133-L137 HydrophobicContact CG1-CD1 3.79Å; V133-L137 WeakPolarHBondContact O-CB 3.44Å; V133-L137 WeakPolarHBondContact O-CG 3.28Å; V133-L137 PolarHBondContact O-N 3.13Å
134L74.9Confident77.4Confident8 Ų860 Ų604%0.04231%0.306CS..Hα-helixtrans-61.9-45.9175-87-166.7000112.3F87 Y91 V94 T95 F130 Y132 I136 L137 G138F87-L134 HydrophobicContact CZ-CD2 4Å; Y91-L134 HydrophobicContact CD2-CB 3.43Å; Y91-L134 VanDerWaalsContact CD2-CB 3.43Å; Y91-L134 HydrophobicContact CD2-CD1 3.91Å; Y91-L134 HydrophobicContact CD2-CD2 3.97Å; Y91-L134 HydrophobicContact CD2-CG 3.96Å; Y91-L134 WeakPolarHBondContact CD2-O 3.44Å; Y91-L134 HydrophobicContact CE2-CB 3.59Å; Y91-L134 VanDerWaalsContact CE2-O 3.28Å; Y91-L134 WeakPolarHBondContact CE2-O 3.4Å; Y91-L134 HydrophobicContact CG-CD1 4.46Å; V94-L134 HydrophobicContact CB-CD1 3.82Å; V94-L134 HydrophobicContact CG1-CD1 4.33Å; T95-L134 HydrophobicContact CG2-CD1 3.97Å; F130-L134 HydrophobicContact CD1-CD1 3.56Å; F130-L134 HydrophobicContact CD1-CG 3.74Å; F130-L134 HydrophobicContact CE1-CD1 3.34Å; F130-L134 HydrophobicContact CE1-CD2 4.02Å; F130-L134 HydrophobicContact CE1-CG 3.54Å; F130-L134 HydrophobicContact CZ-CD1 4.46Å; F130-L134 HydrophobicContact CZ-CD2 4.44Å; F130-L134 HydrophobicContact CZ-CG 4.34Å; F130-L134 WeakPolarHBondContact O-CB 3.49Å; F130-L134 WeakPolarHBondContact O-CG 3.34Å; F130-L134 PolarHBondContact O-N 3.38Å; Y132-L134 PolarHBondContact O-N 2.82Å; L134-I136 VanDerWaalsContact C-N 3.28Å; L134-I136 PolarHBondContact O-N 3.03Å; L134-L137 PolarHBondContact O-N 3.31Å; L134-G138 WeakPolarHBondContact O-CA 3.38Å; L134-G138 PolarHBondContact O-N 3.36Å
135L76.6Confident78.1Confident14 Ų1457.6 Ų57.67%0.07330%0.303CS..Hα-helixtrans-58.4-42.6177.5-178.776000111G131 Y132 D139 I140 H199G131-L135 WeakPolarHBondContact O-CB 3.47Å; G131-L135 PolarHBondContact O-N 2.95Å; Y132-L135 HydrophobicContact CD1-CD2 4.37Å; Y132-L135 WeakPolarHBondContact O-CB 3.43Å; Y132-L135 PolarHBondContact O-N 2.91Å; L135-D139 HydrophobicContact CD1-CB 4.26Å; L135-D139 WeakPolarHBondContact O-CB 3.49Å; L135-D139 PolarHBondContact O-N 3.11Å; L135-I140 PolarHBondContact O-N 3.06Å; L135-I140 VanDerWaalsContact O-N 3.12Å; L135-H199 HydrophobicContact CD2-CB 4.12Å
136I81.5Confident78.5Confident79 Ų7953.2 Ų53.241%0.40528%0.279SS..Iπ-helixtrans-62.9-48.5177.5-67.1161.9000110.5Y132 V133 L134 I140 I141Y132-I136 VanDerWaalsContact O-CG1 3.29Å; Y132-I136 WeakPolarHBondContact O-CG1 3.49Å; Y132-I136 PolarHBondContact O-N 3.34Å; V133-I136 PolarHBondContact O-N 2.93Å; L134-I136 VanDerWaalsContact C-N 3.28Å; L134-I136 PolarHBondContact O-N 3.03Å; I136-I140 HydrophobicContact CG1-CD1 3.99Å; I136-I140 PolarHBondContact O-N 3.46Å; I136-I141 HydrophobicContact CG2-CD1 4.09Å; I136-I141 HydrophobicContact CG2-CG1 4.29Å; I136-I141 WeakPolarHBondContact O-CB 3.48Å; I136-I141 WeakPolarHBondContact O-CG1 3.35Å; I136-I141 PolarHBondContact O-N 3.29Å
137L78.3Confident78.9Confident77 Ų7751.9 Ų51.940%0.40327%0.272SS..Iπ-helixtrans-72.7-35.3-176.8-71.1166.9000113.3F87 V133 L134 I141 P142F87-L137 HydrophobicContact CE1-CB 3.77Å; F87-L137 HydrophobicContact CE2-CD1 4.39Å; F87-L137 HydrophobicContact CZ-CB 3.52Å; F87-L137 HydrophobicContact CZ-CD1 3.82Å; F87-L137 HydrophobicContact CZ-CG 4.27Å; V133-L137 HydrophobicContact CG1-CD1 3.79Å; V133-L137 WeakPolarHBondContact O-CB 3.44Å; V133-L137 WeakPolarHBondContact O-CG 3.28Å; V133-L137 PolarHBondContact O-N 3.13Å; L134-L137 PolarHBondContact O-N 3.31Å; L137-I141 HydrophobicContact CD2-CD1 4.07Å; L137-P142 VanDerWaalsContact O-CD 3.3Å; L137-P142 WeakPolarHBondContact O-CD 3.39Å
138G72.7Confident79.6Confident6 Ų654.2 Ų54.26%0.06228%0.283CS..Iπ-helixtrans-93.3-31.5-17200000114.6L134 P142L134-G138 WeakPolarHBondContact O-CA 3.38Å; L134-G138 PolarHBondContact O-N 3.36Å; G138-P142 VanDerWaalsContact O-CG 3.31Å; G138-P142 WeakPolarHBondContact O-CG 3.3Å
139D75.1Confident80.1Confident15 Ų1552.4 Ų52.48%0.0827%0.272CS..Iπ-helixtrans-117.6-56.1-176.4-67-64.1000111.6K53 Y91 L135 F143K53-D139 IonicContact NZ-OD1 2.77Å; K53-D139 PolarHBondContact NZ-OD1 2.69Å; Y91-D139 PolarHBondContact OH-OD2 3.45Å; L135-D139 HydrophobicContact CD1-CB 4.26Å; L135-D139 WeakPolarHBondContact O-CB 3.49Å; L135-D139 PolarHBondContact O-N 3.11Å; D139-F143 WeakPolarHBondContact O-CB 3.1Å; D139-F143 PolarHBondContact O-N 3.5Å
140I80.8Confident80.3Confident53 Ų5349.2 Ų49.227%0.27226%0.256SS..Iπ-helixtrans-66.2-50-171.2-57.3-177.9000112L135 I136 F143 I144 M196L135-I140 PolarHBondContact O-N 3.06Å; L135-I140 VanDerWaalsContact O-N 3.12Å; I136-I140 HydrophobicContact CG1-CD1 3.99Å; I136-I140 PolarHBondContact O-N 3.46Å; I140-F143 WeakPolarHBondContact O-CB 3.43Å; I140-F143 PolarHBondContact O-N 3.37Å; I140-I144 HydrophobicContact CG2-CD1 3.93Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 2.81Å; I140-M196 HydrophobicContact CG1-SD 4.01Å
141I82.4Confident80.8Confident79 Ų7948.8 Ų48.841%0.40526%0.257SS..Hα-helixtrans-63.6-50.2-179.8-71.3171.5000110.8I136 L137 F143 I144 V145I136-I141 HydrophobicContact CG2-CD1 4.09Å; I136-I141 HydrophobicContact CG2-CG1 4.29Å; I136-I141 WeakPolarHBondContact O-CB 3.48Å; I136-I141 WeakPolarHBondContact O-CG1 3.35Å; I136-I141 PolarHBondContact O-N 3.29Å; L137-I141 HydrophobicContact CD2-CD1 4.07Å; I141-F143 VanDerWaalsContact C-N 3.27Å; I141-F143 PolarHBondContact O-N 3.22Å; I141-I144 PolarHBondContact O-N 3.15Å; I141-V145 HydrophobicContact CG2-CG2 4.36Å; I141-V145 VanDerWaalsContact O-CG2 3.32Å; I141-V145 WeakPolarHBondContact O-CG2 3.26Å; I141-V145 PolarHBondContact O-N 3.35Å
142P80.4Confident81.4Confident22 Ų2250.9 Ų50.914%0.14326%0.262CS..Hα-helixtrans-54.3-40173.2-35.444.1000113.9L57 L137 G138 V145 M146L57-P142 HydrophobicContact CD2-CB 4.05Å; L137-P142 VanDerWaalsContact O-CD 3.3Å; L137-P142 WeakPolarHBondContact O-CD 3.39Å; G138-P142 VanDerWaalsContact O-CG 3.31Å; G138-P142 WeakPolarHBondContact O-CG 3.3Å; P142-V145 PolarHBondContact O-N 3.42Å; P142-M146 VanDerWaalsContact O-CB 3.31Å; P142-M146 WeakPolarHBondContact O-CB 3.36Å; P142-M146 PolarHBondContact O-N 2.94Å
143F81.8Confident81.6Confident23 Ų2345 Ų4510%0.10124%0.239CC..Hα-helixtrans-63-46.2176.4-177.7-101.5000112.4D139 I140 I141 V145 M146 I147 I189 T192 L193 M196D139-F143 WeakPolarHBondContact O-CB 3.1Å; D139-F143 PolarHBondContact O-N 3.5Å; I140-F143 WeakPolarHBondContact O-CB 3.43Å; I140-F143 PolarHBondContact O-N 3.37Å; I141-F143 VanDerWaalsContact C-N 3.27Å; I141-F143 PolarHBondContact O-N 3.22Å; F143-V145 PolarHBondContact O-N 2.77Å; F143-M146 HydrophobicContact CD2-CE 3.67Å; F143-M146 HydrophobicContact CE2-CE 4.27Å; F143-M146 PolarHBondContact O-N 3.15Å; F143-I147 HydrophobicContact CD1-CD1 3.79Å; F143-I147 HydrophobicContact CE1-CD1 3.24Å; F143-I147 HydrophobicContact CE1-CG1 4.33Å; F143-I147 HydrophobicContact CE2-CD1 4.31Å; F143-I147 HydrophobicContact CZ-CD1 3.54Å; F143-I147 HydrophobicContact CZ-CG1 4.39Å; F143-I147 WeakPolarHBondContact O-CG1 3.24Å; F143-I147 PolarHBondContact O-N 2.85Å; F143-I189 HydrophobicContact CE2-CB 4.4Å; F143-I189 HydrophobicContact CE2-CG2 3.91Å; F143-I189 HydrophobicContact CZ-CG2 4.27Å; F143-T192 HydrophobicContact CB-CG2 4.19Å; F143-T192 HydrophobicContact CD2-CG2 3.66Å; F143-T192 HydrophobicContact CE2-CG2 4.36Å; F143-T192 HydrophobicContact CG-CG2 4.17Å; F143-L193 HydrophobicContact CE1-CD2 4.15Å; F143-L193 HydrophobicContact CE2-CD2 4.41Å; F143-L193 HydrophobicContact CE2-CG 4.08Å; F143-L193 HydrophobicContact CZ-CD1 4.32Å; F143-L193 HydrophobicContact CZ-CD2 3.63Å; F143-L193 HydrophobicContact CZ-CG 3.72Å; F143-M196 HydrophobicContact CD1-CE 3.82Å; F143-M196 HydrophobicContact CD2-CE 4.31Å; F143-M196 HydrophobicContact CE1-CE 3.8Å; F143-M196 HydrophobicContact CE2-CE 4.3Å; F143-M196 HydrophobicContact CG-CE 4.07Å; F143-M196 HydrophobicContact CZ-CE 4.06Å
144I85.3Confident81.7Confident84 Ų8445 Ų4543%0.43124%0.236SC..Hα-helixtrans-61.2-45.5175.6-67.8167.5000110.5I140 I141 M146 I147 I148I140-I144 HydrophobicContact CG2-CD1 3.93Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 2.81Å; I141-I144 PolarHBondContact O-N 3.15Å; I144-M146 VanDerWaalsContact C-N 3.35Å; I144-M146 PolarHBondContact O-N 3.4Å; I144-I147 PolarHBondContact O-N 3.45Å; I144-I148 HydrophobicContact CG2-CD1 3.72Å; I144-I148 HydrophobicContact CG2-CG1 4.38Å; I144-I148 VanDerWaalsContact O-CG1 3.29Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 2.88Å
145V84.8Confident82.2Confident53 Ų5349.3 Ų49.332%0.32126%0.259SS..Hα-helixtrans-60.1-45.91781720000110.7L57 I141 P142 F143 I147 I148 I149L57-V145 HydrophobicContact CD1-CB 4.48Å; L57-V145 HydrophobicContact CD1-CG1 4.13Å; I141-V145 HydrophobicContact CG2-CG2 4.36Å; I141-V145 VanDerWaalsContact O-CG2 3.32Å; I141-V145 WeakPolarHBondContact O-CG2 3.26Å; I141-V145 PolarHBondContact O-N 3.35Å; P142-V145 PolarHBondContact O-N 3.42Å; F143-V145 PolarHBondContact O-N 2.77Å; V145-I147 PolarHBondContact O-N 3.38Å; V145-I148 PolarHBondContact O-N 2.71Å; V145-I149 HydrophobicContact CG1-CD1 3.59Å; V145-I149 HydrophobicContact CG1-CG1 4.39Å; V145-I149 WeakPolarHBondContact O-CD1 3.21Å; V145-I149 WeakPolarHBondContact O-CG1 3.4Å; V145-I149 PolarHBondContact O-N 2.76Å
146M83.5Confident82.4Confident10 Ų1051 Ų515%0.04927%0.267CS..Hα-helixtrans-57.5-48.117617217251.300111.7L57 I60 P142 F143 I144 I149 L150 I189L57-M146 HydrophobicContact CD1-CB 4Å; I60-M146 HydrophobicContact CD1-CG 3.63Å; I60-M146 HydrophobicContact CD1-SD 3.86Å; P142-M146 VanDerWaalsContact O-CB 3.31Å; P142-M146 WeakPolarHBondContact O-CB 3.36Å; P142-M146 PolarHBondContact O-N 2.94Å; F143-M146 HydrophobicContact CD2-CE 3.67Å; F143-M146 HydrophobicContact CE2-CE 4.27Å; F143-M146 PolarHBondContact O-N 3.15Å; I144-M146 VanDerWaalsContact C-N 3.35Å; I144-M146 PolarHBondContact O-N 3.4Å; M146-I149 PolarHBondContact O-N 3.49Å; M146-L150 HydrophobicContact CG-CD1 3.89Å; M146-L150 WeakPolarHBondContact O-CB 3.39Å; M146-L150 VanDerWaalsContact O-CG 3.3Å; M146-L150 WeakPolarHBondContact O-CG 3.02Å; M146-L150 PolarHBondContact O-N 3.05Å; M146-I189 HydrophobicContact CE-CG1 3.74Å; M146-I189 HydrophobicContact SD-CD1 4.49Å; M146-I189 HydrophobicContact SD-CG1 3.91Å
147I84.9Confident82.1Confident63 Ų6349.4 Ų49.432%0.32326%0.257SS..Hα-helixtrans-60.5-48.3177.7-72175.7000111F143 I144 V145 I149 L150 I151F143-I147 HydrophobicContact CD1-CD1 3.79Å; F143-I147 HydrophobicContact CE1-CD1 3.24Å; F143-I147 HydrophobicContact CE1-CG1 4.33Å; F143-I147 HydrophobicContact CE2-CD1 4.31Å; F143-I147 HydrophobicContact CZ-CD1 3.54Å; F143-I147 HydrophobicContact CZ-CG1 4.39Å; F143-I147 WeakPolarHBondContact O-CG1 3.24Å; F143-I147 PolarHBondContact O-N 2.85Å; I144-I147 PolarHBondContact O-N 3.45Å; V145-I147 PolarHBondContact O-N 3.38Å; I147-I149 VanDerWaalsContact C-N 3.27Å; I147-I149 PolarHBondContact O-N 3.5Å; I147-L150 PolarHBondContact O-N 3.44Å; I147-I151 HydrophobicContact CG2-CD1 3.68Å; I147-I151 HydrophobicContact CG2-CG1 4.34Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.18Å
148I87.1Confident82Confident91 Ų9152.9 Ų52.947%0.46727%0.266SS..Hα-helixtrans-58.1-44.7179.9-69.8168.7000110.1I144 V145 I151 L152I144-I148 HydrophobicContact CG2-CD1 3.72Å; I144-I148 HydrophobicContact CG2-CG1 4.38Å; I144-I148 VanDerWaalsContact O-CG1 3.29Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 2.88Å; V145-I148 PolarHBondContact O-N 2.71Å; I148-I151 PolarHBondContact O-N 3.02Å; I148-L152 HydrophobicContact CG2-CD1 4.11Å; I148-L152 HydrophobicContact CG2-CG 4.47Å; I148-L152 VanDerWaalsContact O-CG 3.32Å; I148-L152 WeakPolarHBondContact O-CG 3.45Å; I148-L152 PolarHBondContact O-N 3.42Å
149I85Confident82.2Confident16 Ų1659.5 Ų59.58%0.08229%0.293CS..Hα-helixtrans-67-42.5-179.9-63.9162.3000111.3I60 I61 C64 V145 M146 I147 I151 L152 V153I60-I149 HydrophobicContact CG2-CB 3.78Å; I60-I149 HydrophobicContact CG2-CD1 4.37Å; I60-I149 HydrophobicContact CG2-CG2 3.31Å; I61-I149 HydrophobicContact CB-CD1 4.3Å; I61-I149 HydrophobicContact CD1-CD1 4.35Å; I61-I149 HydrophobicContact CG1-CD1 3.29Å; C64-I149 HydrophobicContact CB-CG2 3.38Å; V145-I149 HydrophobicContact CG1-CD1 3.59Å; V145-I149 HydrophobicContact CG1-CG1 4.39Å; V145-I149 WeakPolarHBondContact O-CD1 3.21Å; V145-I149 WeakPolarHBondContact O-CG1 3.4Å; V145-I149 PolarHBondContact O-N 2.76Å; M146-I149 PolarHBondContact O-N 3.49Å; I147-I149 VanDerWaalsContact C-N 3.27Å; I147-I149 PolarHBondContact O-N 3.5Å; I149-I151 VanDerWaalsContact C-N 3.31Å; I149-I151 PolarHBondContact O-N 3.41Å; I149-L152 WeakPolarHBondContact O-CB 3.25Å; I149-L152 PolarHBondContact O-N 3.17Å; I149-L152 VanDerWaalsContact O-N 3.16Å; I149-V153 HydrophobicContact CG2-CG2 4.26Å; I149-V153 WeakPolarHBondContact O-CG2 3.06Å; I149-V153 PolarHBondContact O-N 2.78Å
150L83.6Confident81.7Confident21 Ų2162.8 Ų62.811%0.1130%0.304CS..Hα-helixtrans-59.6-43.6175.8-73.9168.7000111.3M146 I147 L152 V153 I154 I182 C185 I189M146-L150 HydrophobicContact CG-CD1 3.89Å; M146-L150 WeakPolarHBondContact O-CB 3.39Å; M146-L150 VanDerWaalsContact O-CG 3.3Å; M146-L150 WeakPolarHBondContact O-CG 3.02Å; M146-L150 PolarHBondContact O-N 3.05Å; I147-L150 PolarHBondContact O-N 3.44Å; L150-L152 PolarHBondContact O-N 3.26Å; L150-V153 PolarHBondContact O-N 2.86Å; L150-I154 WeakPolarHBondContact O-CB 3.32Å; L150-I154 WeakPolarHBondContact O-CD1 3.47Å; L150-I154 VanDerWaalsContact O-CG1 3.23Å; L150-I154 WeakPolarHBondContact O-CG1 2.73Å; L150-I154 PolarHBondContact O-N 2.94Å; L150-I182 HydrophobicContact CD2-CG1 4.43Å; L150-C185 HydrophobicContact CD1-CB 4.48Å; L150-I189 HydrophobicContact CD1-CD1 3.63Å
151I86.7Confident81Confident88 Ų8867.1 Ų67.145%0.45132%0.321SS..Hα-helixtrans-59.8-46.6174.1-67.7168.3000110.4I147 I148 I149 V153 I154 L155I147-I151 HydrophobicContact CG2-CD1 3.68Å; I147-I151 HydrophobicContact CG2-CG1 4.34Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.18Å; I148-I151 PolarHBondContact O-N 3.02Å; I149-I151 VanDerWaalsContact C-N 3.31Å; I149-I151 PolarHBondContact O-N 3.41Å; I151-V153 VanDerWaalsContact C-N 3.33Å; I151-V153 PolarHBondContact O-N 3.47Å; I151-I154 PolarHBondContact O-N 2.85Å; I151-L155 HydrophobicContact CG2-CD1 3.77Å; I151-L155 HydrophobicContact CG2-CG 4.16Å; I151-L155 WeakPolarHBondContact O-CB 3.03Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.31Å; I151-L155 PolarHBondContact O-N 2.84Å
152L86.3Confident80Confident67 Ų6769.1 Ų69.135%0.35134%0.337SS..Hα-helixtrans-61-39.8177.9-73.6173.3000112.6Y68 I148 I149 L150 H156Y68-L152 HydrophobicContact CE2-CB 4.23Å; Y68-L152 PolarHBondContact OH-O 3.39Å; I148-L152 HydrophobicContact CG2-CD1 4.11Å; I148-L152 HydrophobicContact CG2-CG 4.47Å; I148-L152 VanDerWaalsContact O-CG 3.32Å; I148-L152 WeakPolarHBondContact O-CG 3.45Å; I148-L152 PolarHBondContact O-N 3.42Å; I149-L152 WeakPolarHBondContact O-CB 3.25Å; I149-L152 PolarHBondContact O-N 3.17Å; I149-L152 VanDerWaalsContact O-N 3.16Å; L150-L152 PolarHBondContact O-N 3.26Å; L152-H156 WeakPolarHBondContact O-CB 3.23Å; L152-H156 PolarHBondContact O-N 2.94Å
153V81.9Confident78.9Confident6 Ų673.7 Ų73.74%0.03636%0.36CS..Hα-helixtrans-66.2-44.4176.4171.40000110.3C64 I67 I149 L150 I151 H156 Q157 T178C64-V153 HydrophobicContact CB-CG2 4.3Å; I67-V153 HydrophobicContact CD1-CG1 4.2Å; I67-V153 HydrophobicContact CD1-CG2 4.23Å; I149-V153 HydrophobicContact CG2-CG2 4.26Å; I149-V153 WeakPolarHBondContact O-CG2 3.06Å; I149-V153 PolarHBondContact O-N 2.78Å; L150-V153 PolarHBondContact O-N 2.86Å; I151-V153 VanDerWaalsContact C-N 3.33Å; I151-V153 PolarHBondContact O-N 3.47Å; V153-H156 PolarHBondContact O-N 3.18Å; V153-Q157 VanDerWaalsContact O-CG 3.3Å; V153-Q157 WeakPolarHBondContact O-CG 3.36Å; V153-Q157 PolarHBondContact O-N 3.34Å; V153-T178 HydrophobicContact CG1-CG2 3.52Å
154I82.8Confident77.5Confident69 Ų6975.3 Ų75.335%0.35437%0.372SS..Hα-helixtrans-62.4-48.7177.3-70.3165.4000110.7L150 I151 H156 Q157 Y158L150-I154 WeakPolarHBondContact O-CB 3.32Å; L150-I154 WeakPolarHBondContact O-CD1 3.47Å; L150-I154 VanDerWaalsContact O-CG1 3.23Å; L150-I154 WeakPolarHBondContact O-CG1 2.73Å; L150-I154 PolarHBondContact O-N 2.94Å; I151-I154 PolarHBondContact O-N 2.85Å; I154-H156 VanDerWaalsContact C-N 3.3Å; I154-H156 PolarHBondContact O-N 3.21Å; I154-Q157 WeakPolarHBondContact O-CB 3.38Å; I154-Q157 PolarHBondContact O-N 2.93Å; I154-Q157 VanDerWaalsContact O-N 3.12Å; I154-Y158 HydrophobicContact CG2-CD2 3.55Å; I154-Y158 HydrophobicContact CG2-CE2 3.44Å; I154-Y158 VanDerWaalsContact CG2-CE2 3.44Å; I154-Y158 VanDerWaalsContact O-CD2 3.26Å; I154-Y158 WeakPolarHBondContact O-CD2 2.99Å; I154-Y158 PolarHBondContact O-N 2.9Å
155L84.7Confident75.9Confident100 Ų10081.4 Ų81.452%0.52440%0.395SS..Hα-helixtrans-59.2-40.7177.4-73.8174.5000111.9I151 Y158 K159I151-L155 HydrophobicContact CG2-CD1 3.77Å; I151-L155 HydrophobicContact CG2-CG 4.16Å; I151-L155 WeakPolarHBondContact O-CB 3.03Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.31Å; I151-L155 PolarHBondContact O-N 2.84Å; L155-Y158 PolarHBondContact O-N 3.48Å; L155-K159 WeakPolarHBondContact O-CB 3.38Å; L155-K159 PolarHBondContact O-N 3.41Å
156H80.2Confident74.1Confident50 Ų5085.4 Ų85.423%0.23142%0.415CS..Hα-helixtrans-60.8-45.1174.7-173.188.3000111.7I67 Y68 L152 V153 I154 Y158 K159 R160I67-H156 HydrophobicContact CG2-CB 4.37Å; I67-H156 WeakPolarHBondContact CG2-CD2 3.23Å; I67-H156 WeakPolarHBondContact CG2-NE2 3.19Å; Y68-H156 AromaticContact CE1-ND1 3.97Å; L152-H156 WeakPolarHBondContact O-CB 3.23Å; L152-H156 PolarHBondContact O-N 2.94Å; V153-H156 PolarHBondContact O-N 3.18Å; I154-H156 VanDerWaalsContact C-N 3.3Å; I154-H156 PolarHBondContact O-N 3.21Å; H156-Y158 PolarHBondContact O-N 3.28Å; H156-K159 PolarHBondContact O-N 3.3Å; H156-R160 WeakPolarHBondContact O-CB 3.48Å; H156-R160 PolarHBondContact O-N 2.89Å
157Q75.8Confident72.5Confident44 Ų4493.5 Ų93.521%0.20645%0.453CS..Hα-helixtrans-62.8-40.6177.1-67.1-70.1-15.100111.9V153 I154 K161 T178V153-Q157 VanDerWaalsContact O-CG 3.3Å; V153-Q157 WeakPolarHBondContact O-CG 3.36Å; V153-Q157 PolarHBondContact O-N 3.34Å; I154-Q157 WeakPolarHBondContact O-CB 3.38Å; I154-Q157 PolarHBondContact O-N 2.93Å; I154-Q157 VanDerWaalsContact O-N 3.12Å; Q157-K161 WeakPolarHBondContact O-CG 3Å; Q157-K161 PolarHBondContact O-N 3.06Å; Q157-K161 VanDerWaalsContact O-N 3.09Å; Q157-T178 HydrophobicContact CG-CG2 4.4Å; Q157-T178 PolarHBondContact NE2-OG1 2.74Å
158Y76.4Confident70.8Confident150 Ų15095 Ų9559%0.58848%0.475SS*.Hα-helixtrans-64.7-49.6174.7-85-74000112.1I154 L155 H156 R160 K161 V162I154-Y158 HydrophobicContact CG2-CD2 3.55Å; I154-Y158 HydrophobicContact CG2-CE2 3.44Å; I154-Y158 VanDerWaalsContact CG2-CE2 3.44Å; I154-Y158 VanDerWaalsContact O-CD2 3.26Å; I154-Y158 WeakPolarHBondContact O-CD2 2.99Å; I154-Y158 PolarHBondContact O-N 2.9Å; L155-Y158 PolarHBondContact O-N 3.48Å; H156-Y158 PolarHBondContact O-N 3.28Å; Y158-R160 PolarHBondContact O-N 3.49Å; Y158-K161 WeakPolarHBondContact O-CB 3.34Å; Y158-K161 PolarHBondContact O-N 3.07Å; Y158-K161 VanDerWaalsContact O-N 3.1Å; Y158-V162 WeakPolarHBondContact O-CG2 2.94Å; Y158-V162 PolarHBondContact O-N 3.28Å; Y158-V162 VanDerWaalsContact O-N 3.1Å
159K76.2Confident69.2Low145 Ų14599.3 Ų99.363%0.6349%0.493SS*.Hα-helixtrans-58-38.9178.7-171.5176.8-1781780111.7L155 H156 V162 N163L155-K159 WeakPolarHBondContact O-CB 3.38Å; L155-K159 PolarHBondContact O-N 3.41Å; H156-K159 PolarHBondContact O-N 3.3Å; K159-V162 PolarHBondContact O-N 3.45Å; K159-N163 PolarHBondContact O-N 3.29Å; K159-N163 VanDerWaalsContact O-N 3.15Å
160R65.9Low67.7Low84 Ų84101.8 Ų101.832%0.31751%0.505SS..Hα-helixtrans-69.3-36.6177.5-163174.5-178.5-178.10.4112.8H156 Y158 V162 N163 V164H156-R160 WeakPolarHBondContact O-CB 3.48Å; H156-R160 PolarHBondContact O-N 2.89Å; Y158-R160 PolarHBondContact O-N 3.49Å; R160-V162 VanDerWaalsContact C-N 3.31Å; R160-V162 PolarHBondContact O-N 2.8Å; R160-N163 PolarHBondContact O-N 3.03Å; R160-V164 HydrophobicContact CG-CG2 4.41Å; R160-V164 WeakPolarHBondContact O-CG2 3.47Å; R160-V164 PolarHBondContact O-N 2.93Å
161K66.1Low66.5Low145 Ų145108 Ų10863%0.6353%0.532SS*.Hα-helixtrans-63.5-35.3172.5-77-179.8-179.5179.70112.5Q157 Y158Q157-K161 WeakPolarHBondContact O-CG 3Å; Q157-K161 PolarHBondContact O-N 3.06Å; Q157-K161 VanDerWaalsContact O-N 3.09Å; Y158-K161 WeakPolarHBondContact O-CB 3.34Å; Y158-K161 PolarHBondContact O-N 3.07Å; Y158-K161 VanDerWaalsContact O-N 3.1Å
162V59.7Low65.5Low120 Ų120107.7 Ų107.773%0.72754%0.535SS*.Hα-helixtrans-73.6-36.1179.8175.70000111.9Y158 K159 R160Y158-V162 WeakPolarHBondContact O-CG2 2.94Å; Y158-V162 PolarHBondContact O-N 3.28Å; Y158-V162 VanDerWaalsContact O-N 3.1Å; K159-V162 PolarHBondContact O-N 3.45Å; R160-V162 VanDerWaalsContact C-N 3.31Å; R160-V162 PolarHBondContact O-N 2.8Å
163N58.5Low64.7Low118 Ų118110.4 Ų110.463%0.63155%0.549SS*.Hα-helixtrans-86.6-5.9-173.1-77.22.3000115.5K159 R160K159-N163 PolarHBondContact O-N 3.29Å; K159-N163 VanDerWaalsContact O-N 3.15Å; R160-N163 PolarHBondContact O-N 3.03Å
164V52.5Low64.1Low58 Ų58114.8 Ų114.835%0.35257%0.569SS.*  trans-122.896.2-170-175.90000110.8R160 D166R160-V164 HydrophobicContact CG-CG2 4.41Å; R160-V164 WeakPolarHBondContact O-CG2 3.47Å; R160-V164 PolarHBondContact O-N 2.93Å; V164-D166 VanDerWaalsContact CG1-C 3.41Å; V164-D166 HydrophobicContact CG1-CB 4.34Å; V164-D166 WeakPolarHBondContact CG1-O 2.97Å
165K51.2Low63.4Low211 Ų211117.8 Ų117.892%0.91758%0.579SS**SBendtrans-71.6-11.5160.4-78-174.8175.2-179.90112.6
166D47.4Very low63Low137 Ų137120.9 Ų120.973%0.73359%0.585SS**  trans-105.180.2179.5-65.3-37.6000112.4V164 A168V164-D166 VanDerWaalsContact CG1-C 3.41Å; V164-D166 HydrophobicContact CG1-CB 4.34Å; V164-D166 WeakPolarHBondContact CG1-O 2.97Å; D166-A168 PolarHBondContact O-N 3.31Å
167Q49.1Very low62.9Low181 Ų181122.4 Ų122.485%0.84659%0.594SS**THydrogen-bonded Turntrans-65.710.9-175.9-81.4-174.3-16.500116.4
168A50.7Low62.9Low95 Ų95120.7 Ų120.779%0.78559%0.587SS**THydrogen-bonded Turntrans-91.6-5.8-164.300000117.1D166D166-A168 PolarHBondContact O-N 3.31Å
169Q52Low63.1Low180 Ų180118.6 Ų118.684%0.84159%0.585SS**  trans-135.321.3-172.1-82.5-170.9-2.200116.7K171Q169-K171 PolarHBondContact O-N 3.44Å
170I53.9Low63.4Low69 Ų69116.2 Ų116.235%0.35458%0.579SS.*SBendtrans-76.1111.3161.8-62172000106.7P172I170-P172 VanDerWaalsContact O-CD 3.3Å; I170-P172 WeakPolarHBondContact O-CD 3.28Å
171K59.6Low64.1Low152 Ų152113.1 Ų113.166%0.66157%0.569SS**  trans-52.9116170.2-74.9-173.9-179.7-179.30107Q169 I173 Q174Q169-K171 PolarHBondContact O-N 3.44Å; K171-I173 PolarHBondContact O-N 2.94Å; K171-Q174 PolarHBondContact O-N 3.41Å
172P63.8Low64.7Low80 Ų80108.7 Ų108.752%0.51955%0.552SS.*Hα-helixtrans-51.3-32.1-17314.6-28.9000112I170 Q174 K175 Y176I170-P172 VanDerWaalsContact O-CD 3.3Å; I170-P172 WeakPolarHBondContact O-CD 3.28Å; P172-Q174 PolarHBondContact O-N 2.96Å; P172-K175 PolarHBondContact O-N 3.26Å; P172-Y176 HydrophobicContact CB-CD2 4.17Å; P172-Y176 HydrophobicContact CB-CE2 3.83Å; P172-Y176 WeakPolarHBondContact O-CD2 3.28Å; P172-Y176 PolarHBondContact O-N 2.54Å; P172-Y176 VanDerWaalsContact O-N 3.11Å
173I69.8Low65.8Low124 Ų124106.9 Ų106.964%0.63654%0.54SS*.Hα-helixtrans-52.4-44.1177-59.6163.2000113.1K171 K175 Y176 L177K171-I173 PolarHBondContact O-N 2.94Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 3.37Å; I173-Y176 PolarHBondContact O-N 3.32Å; I173-L177 VanDerWaalsContact O-CB 3.3Å; I173-L177 WeakPolarHBondContact O-CB 3.27Å; I173-L177 PolarHBondContact O-N 2.74Å
174Q69.1Low66.8Low98 Ų98107.1 Ų107.146%0.45853%0.533SS..Hα-helixtrans-68.2-34.1-177.2-76.7-174.5-22.800112.6K171 P172 T178K171-Q174 PolarHBondContact O-N 3.41Å; P172-Q174 PolarHBondContact O-N 2.96Å; Q174-T178 WeakPolarHBondContact O-CB 3.13Å; Q174-T178 PolarHBondContact O-N 3.29Å; Q174-T178 PolarHBondContact O-OG1 3.11Å
175K69.8Low68.1Low133 Ų133104.5 Ų104.558%0.57852%0.517SS*.Hα-helixtrans-70.7-44.2177-172-178.8176.7-172.30110.6P172 I173 T178 L179P172-K175 PolarHBondContact O-N 3.26Å; I173-K175 VanDerWaalsContact C-N 3.33Å; I173-K175 PolarHBondContact O-N 3.37Å; K175-T178 PolarHBondContact O-N 2.8Å; K175-L179 WeakPolarHBondContact O-CB 3.41Å; K175-L179 PolarHBondContact O-N 2.93Å
176Y76.3Confident69.5Low164 Ų16498.9 Ų98.964%0.64350%0.496SS*.Hα-helixtrans-63.4-42.1174.9-69.1-60.3000112.1P172 I173 L179 L180P172-Y176 HydrophobicContact CB-CD2 4.17Å; P172-Y176 HydrophobicContact CB-CE2 3.83Å; P172-Y176 WeakPolarHBondContact O-CD2 3.28Å; P172-Y176 PolarHBondContact O-N 2.54Å; P172-Y176 VanDerWaalsContact O-N 3.11Å; I173-Y176 PolarHBondContact O-N 3.32Å; Y176-L179 PolarHBondContact O-N 3.35Å; Y176-L180 VanDerWaalsContact O-CB 3.3Å; Y176-L180 WeakPolarHBondContact O-CB 2.97Å; Y176-L180 PolarHBondContact O-N 3.28Å
177L77.3Confident71Confident82 Ų8295.8 Ų95.843%0.42948%0.484SS..Hα-helixtrans-63.1-44.5177.2-173.568000111.8I173 L179 L180 I181I173-L177 VanDerWaalsContact O-CB 3.3Å; I173-L177 WeakPolarHBondContact O-CB 3.27Å; I173-L177 PolarHBondContact O-N 2.74Å; L177-L179 PolarHBondContact O-N 3.08Å; L177-L180 PolarHBondContact O-N 3.27Å; L177-I181 HydrophobicContact CG-CD1 4.1Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.42Å; L177-I181 PolarHBondContact O-N 3.32Å
178T76.7Confident72.3Confident9 Ų987.9 Ų87.96%0.05545%0.447CS..Hα-helixtrans-63.1-43177.5-54.70000111.4H63 V153 Q157 Q174 K175 I181 I182H63-T178 PolarHBondContact CE1-OG1 2.79Å; H63-T178 PolarHBondContact NE2-OG1 2.89Å; V153-T178 HydrophobicContact CG1-CG2 3.52Å; Q157-T178 HydrophobicContact CG-CG2 4.4Å; Q157-T178 PolarHBondContact NE2-OG1 2.74Å; Q174-T178 WeakPolarHBondContact O-CB 3.13Å; Q174-T178 PolarHBondContact O-N 3.29Å; Q174-T178 PolarHBondContact O-OG1 3.11Å; K175-T178 PolarHBondContact O-N 2.8Å; T178-I181 PolarHBondContact O-N 3.05Å; T178-I182 HydrophobicContact CG2-CD1 4.11Å; T178-I182 VanDerWaalsContact O-CG1 3.31Å; T178-I182 WeakPolarHBondContact O-CG1 2.94Å; T178-I182 PolarHBondContact O-N 3.16Å
179L79.7Confident73.6Confident105 Ų10584.9 Ų84.955%0.5542%0.417SS..Hα-helixtrans-63.6-43.8176.9-174.670.3000111.3K175 Y176 L177 I181 I182 V183K175-L179 WeakPolarHBondContact O-CB 3.41Å; K175-L179 PolarHBondContact O-N 2.93Å; Y176-L179 PolarHBondContact O-N 3.35Å; L177-L179 PolarHBondContact O-N 3.08Å; L179-I181 VanDerWaalsContact C-N 3.34Å; L179-I181 PolarHBondContact O-N 3.06Å; L179-I182 PolarHBondContact O-N 3.22Å; L179-V183 WeakPolarHBondContact O-CG2 3.46Å; L179-V183 PolarHBondContact O-N 2.94Å
180L82.5Confident75.1Confident96 Ų9681.4 Ų81.450%0.50340%0.404SS..Hα-helixtrans-59.1-46.4177.4-175.668.8000110.8Y176 L177 I182 V183 W184Y176-L180 VanDerWaalsContact O-CB 3.3Å; Y176-L180 WeakPolarHBondContact O-CB 2.97Å; Y176-L180 PolarHBondContact O-N 3.28Å; L177-L180 PolarHBondContact O-N 3.27Å; L180-I182 PolarHBondContact O-N 3Å; L180-V183 PolarHBondContact O-N 3.3Å; L180-W184 HydrophobicContact CD1-CE3 4.3Å; L180-W184 VanDerWaalsContact O-CB 3.29Å; L180-W184 WeakPolarHBondContact O-CB 3.43Å; L180-W184 PolarHBondContact O-N 3.25Å
181I80.3Confident76.2Confident18 Ų1881.8 Ų81.89%0.09241%0.406CS..Hα-helixtrans-59.9-48.1176.9-68.6165.8000110.3I59 I60 H63 L177 T178 L179 V183 W184 C185I59-I181 HydrophobicContact CG2-CD1 4.28Å; I59-I181 HydrophobicContact CG2-CG1 4.18Å; I60-I181 HydrophobicContact CG1-CG2 4.04Å; H63-I181 HydrophobicContact CB-CD1 3.67Å; L177-I181 HydrophobicContact CG-CD1 4.1Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.42Å; L177-I181 PolarHBondContact O-N 3.32Å; T178-I181 PolarHBondContact O-N 3.05Å; L179-I181 VanDerWaalsContact C-N 3.34Å; L179-I181 PolarHBondContact O-N 3.06Å; I181-V183 VanDerWaalsContact C-N 3.35Å; I181-V183 PolarHBondContact O-N 2.89Å; I181-W184 PolarHBondContact O-N 3.33Å; I181-W184 VanDerWaalsContact O-N 3.16Å; I181-C185 PolarHBondContact O-N 3.01Å; I181-C185 PolarHBondContact O-SG 3.26Å
182I78.8Confident77Confident53 Ų5374.8 Ų74.827%0.27238%0.376SS..Hα-helixtrans-57.3-49.1178.5-68.3165.6000110.8L150 T178 L179 L180 W184 C185 L186L150-I182 HydrophobicContact CD2-CG1 4.43Å; T178-I182 HydrophobicContact CG2-CD1 4.11Å; T178-I182 VanDerWaalsContact O-CG1 3.31Å; T178-I182 WeakPolarHBondContact O-CG1 2.94Å; T178-I182 PolarHBondContact O-N 3.16Å; L179-I182 PolarHBondContact O-N 3.22Å; L180-I182 PolarHBondContact O-N 3Å; I182-W184 VanDerWaalsContact C-N 3.29Å; I182-W184 PolarHBondContact O-N 3.47Å; I182-C185 PolarHBondContact O-N 3.34Å; I182-L186 WeakPolarHBondContact O-CG 3.24Å; I182-L186 PolarHBondContact O-N 3.24Å
183V83.1Confident77.8Confident81 Ų8173.7 Ų73.749%0.49137%0.365SS..Hα-helixtrans-62.3-39179.3173.40000111.1L179 L180 I181 C185 L186 P187L179-V183 WeakPolarHBondContact O-CG2 3.46Å; L179-V183 PolarHBondContact O-N 2.94Å; L180-V183 PolarHBondContact O-N 3.3Å; I181-V183 VanDerWaalsContact C-N 3.35Å; I181-V183 PolarHBondContact O-N 2.89Å; V183-C185 VanDerWaalsContact C-N 3.32Å; V183-C185 PolarHBondContact O-N 3.49Å; V183-L186 PolarHBondContact O-N 3.49Å; V183-P187 WeakPolarHBondContact O-CD 3.45Å
184W78.4Confident78.3Confident124 Ų12472.8 Ų72.847%0.4736%0.361SS..Hα-helixtrans-69.5-28.2179.2-150.3-78.3000113.3L180 I181 I182 P187L180-W184 HydrophobicContact CD1-CE3 4.3Å; L180-W184 VanDerWaalsContact O-CB 3.29Å; L180-W184 WeakPolarHBondContact O-CB 3.43Å; L180-W184 PolarHBondContact O-N 3.25Å; I181-W184 PolarHBondContact O-N 3.33Å; I181-W184 VanDerWaalsContact O-N 3.16Å; I182-W184 VanDerWaalsContact C-N 3.29Å; I182-W184 PolarHBondContact O-N 3.47Å; W184-P187 WeakPolarHBondContact O-CD 3.43Å
185C80.2Confident78.4Confident3 Ų370.6 Ų70.62%0.0235%0.352CS..Hα-helixtrans-80.1-23.7179.2-61.20000113.1I60 L150 I181 I182 V183 E188 I189I60-C185 HydrophobicContact CD1-CB 4.31Å; I60-C185 WeakPolarHBondContact CD1-SG 3.49Å; I60-C185 VanDerWaalsContact CG1-SG 3.51Å; L150-C185 HydrophobicContact CD1-CB 4.48Å; I181-C185 PolarHBondContact O-N 3.01Å; I181-C185 PolarHBondContact O-SG 3.26Å; I182-C185 PolarHBondContact O-N 3.34Å; V183-C185 VanDerWaalsContact C-N 3.32Å; V183-C185 PolarHBondContact O-N 3.49Å; C185-E188 PolarHBondContact O-N 3.23Å; C185-I189 HydrophobicContact CB-CD1 4.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.03Å; C185-I189 PolarHBondContact O-N 2.66Å
186L80.9Confident78.6Confident93 Ų9365.3 Ų65.349%0.48733%0.33SS..Hα-helixtrans-58.2-47.1-175.6-75.3170.9000113.5I182 V183 E188 I189 L190I182-L186 WeakPolarHBondContact O-CG 3.24Å; I182-L186 PolarHBondContact O-N 3.24Å; V183-L186 PolarHBondContact O-N 3.49Å; L186-E188 VanDerWaalsContact C-N 3.29Å; L186-E188 PolarHBondContact O-N 3.38Å; L186-I189 PolarHBondContact O-N 2.85Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.39Å; L186-L190 VanDerWaalsContact O-N 3.11Å
187P79.2Confident78.6Confident72 Ų7263.2 Ų63.247%0.46832%0.324SS..Hα-helixtrans-58.9-40.9176-23.934.3000112.3V183 W184 L190 I191V183-P187 WeakPolarHBondContact O-CD 3.45Å; W184-P187 WeakPolarHBondContact O-CD 3.43Å; P187-L190 WeakPolarHBondContact O-CB 3.42Å; P187-L190 PolarHBondContact O-N 3.31Å; P187-I191 VanDerWaalsContact O-CG1 3.25Å; P187-I191 WeakPolarHBondContact O-CG1 3.42Å; P187-I191 PolarHBondContact O-N 3.08Å
188E75.6Confident78.2Confident15 Ų1565.5 Ų65.57%0.0733%0.333CS..Hα-helixtrans-68.9-39.9-177-17054.7-13000112.5K53 I56 C185 L186 L190 I191 T192K53-E188 WeakPolarHBondContact CD-OE1 3.36Å; K53-E188 WeakPolarHBondContact CE-OE1 3.49Å; K53-E188 WeakPolarHBondContact CG-OE1 3.3Å; I56-E188 HydrophobicContact CD1-CB 3.7Å; I56-E188 HydrophobicContact CD1-CG 3.71Å; I56-E188 HydrophobicContact CG2-CG 4.48Å; C185-E188 PolarHBondContact O-N 3.23Å; L186-E188 VanDerWaalsContact C-N 3.29Å; L186-E188 PolarHBondContact O-N 3.38Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.37Å; E188-I191 PolarHBondContact O-N 3.43Å; E188-T192 WeakPolarHBondContact O-CB 3.35Å; E188-T192 PolarHBondContact O-N 3.44Å; E188-T192 PolarHBondContact O-OG1 3.45Å; E188-T192 PolarHBondContact OE1-OG1 2.8Å
189I79.2Confident77.7Confident31 Ų3169.5 Ų69.516%0.15935%0.351CS..Hα-helixtrans-60-44.1173.1-69.3166.4000110F143 M146 L150 C185 L186 L193F143-I189 HydrophobicContact CE2-CB 4.4Å; F143-I189 HydrophobicContact CE2-CG2 3.91Å; F143-I189 HydrophobicContact CZ-CG2 4.27Å; M146-I189 HydrophobicContact CE-CG1 3.74Å; M146-I189 HydrophobicContact SD-CD1 4.49Å; M146-I189 HydrophobicContact SD-CG1 3.91Å; L150-I189 HydrophobicContact CD1-CD1 3.63Å; C185-I189 HydrophobicContact CB-CD1 4.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.03Å; C185-I189 PolarHBondContact O-N 2.66Å; L186-I189 PolarHBondContact O-N 2.85Å; I189-L193 HydrophobicContact CG2-CD1 4.06Å; I189-L193 WeakPolarHBondContact O-CB 3.49Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.13Å; I189-L193 PolarHBondContact O-N 2.01Å
190L82.6Confident76.9Confident108 Ų10870.8 Ų70.857%0.56536%0.357SS*.Hα-helixtrans-65.2-45.8178.9-71.3168.7000111.7L186 P187 E188 L193 L194L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.39Å; L186-L190 VanDerWaalsContact O-N 3.11Å; P187-L190 WeakPolarHBondContact O-CB 3.42Å; P187-L190 PolarHBondContact O-N 3.31Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.37Å; L190-L193 PolarHBondContact O-N 2.88Å; L190-L194 VanDerWaalsContact O-CG 3.28Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 2.82Å
191I78Confident75.4Confident77 Ų7771.5 Ų71.540%0.39536%0.361SS..Hα-helixtrans-61.7-48.3177.8-68.2163.5000110.2P187 E188 L193 L194 D195P187-I191 VanDerWaalsContact O-CG1 3.25Å; P187-I191 WeakPolarHBondContact O-CG1 3.42Å; P187-I191 PolarHBondContact O-N 3.08Å; E188-I191 PolarHBondContact O-N 3.43Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-L193 PolarHBondContact O-N 3.45Å; I191-L194 WeakPolarHBondContact O-CB 3.13Å; I191-L194 PolarHBondContact O-N 3.5Å; I191-L194 VanDerWaalsContact O-N 3.1Å; I191-D195 VanDerWaalsContact O-CG 3.29Å; I191-D195 PolarHBondContact O-N 3.31Å
192T76.4Confident73.7Confident5 Ų574.6 Ų74.63%0.03138%0.382CS..Hα-helixtrans-63.7-37.9179.8-59.10000112.1F143 E188 D195 M196F143-T192 HydrophobicContact CB-CG2 4.19Å; F143-T192 HydrophobicContact CD2-CG2 3.66Å; F143-T192 HydrophobicContact CE2-CG2 4.36Å; F143-T192 HydrophobicContact CG-CG2 4.17Å; E188-T192 WeakPolarHBondContact O-CB 3.35Å; E188-T192 PolarHBondContact O-N 3.44Å; E188-T192 PolarHBondContact O-OG1 3.45Å; E188-T192 PolarHBondContact OE1-OG1 2.8Å; T192-D195 PolarHBondContact O-N 2.84Å; T192-M196 HydrophobicContact CG2-CE 4.2Å; T192-M196 WeakPolarHBondContact O-CB 2.89Å; T192-M196 VanDerWaalsContact O-CG 3.3Å; T192-M196 WeakPolarHBondContact O-CG 3.4Å; T192-M196 PolarHBondContact O-N 2.82Å
193L79.9Confident72.2Confident57 Ų5777.6 Ų77.630%0.29839%0.39SS..Hα-helixtrans-61.1-47.4171.8-78.1168.9000111.3F143 I189 L190 I191 D195 M196 F197F143-L193 HydrophobicContact CE1-CD2 4.15Å; F143-L193 HydrophobicContact CE2-CD2 4.41Å; F143-L193 HydrophobicContact CE2-CG 4.08Å; F143-L193 HydrophobicContact CZ-CD1 4.32Å; F143-L193 HydrophobicContact CZ-CD2 3.63Å; F143-L193 HydrophobicContact CZ-CG 3.72Å; I189-L193 HydrophobicContact CG2-CD1 4.06Å; I189-L193 WeakPolarHBondContact O-CB 3.49Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.13Å; I189-L193 PolarHBondContact O-N 2.01Å; L190-L193 PolarHBondContact O-N 2.88Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-L193 PolarHBondContact O-N 3.45Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-D195 PolarHBondContact O-N 3.42Å; L193-M196 HydrophobicContact CD2-CE 3.81Å; L193-M196 HydrophobicContact CG-CE 4.4Å; L193-M196 PolarHBondContact O-N 3.4Å; L193-F197 HydrophobicContact CB-CD2 4.48Å; L193-F197 HydrophobicContact CB-CE2 4.4Å; L193-F197 HydrophobicContact CD2-CE2 4.39Å; L193-F197 WeakPolarHBondContact O-CD2 2.87Å; L193-F197 PolarHBondContact O-N 3.31Å
194L79.7Confident69.9Low105 Ų10581.8 Ų81.855%0.5540%0.402SS..Hα-helixtrans-59.9-44.3177.8-70.8169.4000111.5L190 I191 F197 Q198L190-L194 VanDerWaalsContact O-CG 3.28Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 2.82Å; I191-L194 WeakPolarHBondContact O-CB 3.13Å; I191-L194 PolarHBondContact O-N 3.5Å; I191-L194 VanDerWaalsContact O-N 3.1Å; L194-F197 PolarHBondContact O-N 3.47Å; L194-Q198 WeakPolarHBondContact O-CB 3.39Å; L194-Q198 WeakPolarHBondContact O-CG 3.35Å; L194-Q198 PolarHBondContact O-N 3.14Å
195D71.4Confident68Low51 Ų5179.2 Ų79.227%0.27340%0.402SS..Hα-helixtrans-61.1-47.4177.2-67.2-18.3000111.2K53 I191 T192 L193 F197 Q198 H199K53-D195 IonicContact NZ-OD2 3.43Å; K53-D195 PolarHBondContact NZ-OD2 3.49Å; I191-D195 VanDerWaalsContact O-CG 3.29Å; I191-D195 PolarHBondContact O-N 3.31Å; T192-D195 PolarHBondContact O-N 2.84Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-D195 PolarHBondContact O-N 3.42Å; D195-F197 VanDerWaalsContact C-N 3.33Å; D195-F197 PolarHBondContact O-N 2.59Å; D195-Q198 PolarHBondContact O-N 3.09Å; D195-H199 PolarHBondContact O-CD2 2.93Å; D195-H199 VanDerWaalsContact O-CD2 3.31Å; D195-H199 PolarHBondContact O-N 3.24Å
196M73.7Confident66.1Low23 Ų2384.3 Ų84.311%0.11342%0.424CS..Hα-helixtrans-60.9-42.4176.6-72.7-172.6-61.400111.5I140 F143 T192 L193 H199 I200I140-M196 HydrophobicContact CG1-SD 4.01Å; F143-M196 HydrophobicContact CD1-CE 3.82Å; F143-M196 HydrophobicContact CD2-CE 4.31Å; F143-M196 HydrophobicContact CE1-CE 3.8Å; F143-M196 HydrophobicContact CE2-CE 4.3Å; F143-M196 HydrophobicContact CG-CE 4.07Å; F143-M196 HydrophobicContact CZ-CE 4.06Å; T192-M196 HydrophobicContact CG2-CE 4.2Å; T192-M196 WeakPolarHBondContact O-CB 2.89Å; T192-M196 VanDerWaalsContact O-CG 3.3Å; T192-M196 WeakPolarHBondContact O-CG 3.4Å; T192-M196 PolarHBondContact O-N 2.82Å; L193-M196 HydrophobicContact CD2-CE 3.81Å; L193-M196 HydrophobicContact CG-CE 4.4Å; L193-M196 PolarHBondContact O-N 3.4Å; M196-H199 PolarHBondContact O-N 2.99Å; M196-I200 WeakPolarHBondContact O-CB 3.32Å; M196-I200 WeakPolarHBondContact O-CD1 3.36Å; M196-I200 VanDerWaalsContact O-CG1 3.26Å; M196-I200 WeakPolarHBondContact O-CG1 3.05Å; M196-I200 PolarHBondContact O-N 2.98Å
197F76.6Confident64Low119 Ų11984.1 Ų84.152%0.52242%0.423SS..Hα-helixtrans-64.3-39.5175.5-78.7-61.3000112.1L193 L194 D195 H199 I200 L201L193-F197 HydrophobicContact CB-CD2 4.48Å; L193-F197 HydrophobicContact CB-CE2 4.4Å; L193-F197 HydrophobicContact CD2-CE2 4.39Å; L193-F197 WeakPolarHBondContact O-CD2 2.87Å; L193-F197 PolarHBondContact O-N 3.31Å; L194-F197 PolarHBondContact O-N 3.47Å; D195-F197 VanDerWaalsContact C-N 3.33Å; D195-F197 PolarHBondContact O-N 2.59Å; F197-H199 VanDerWaalsContact C-N 3.29Å; F197-H199 PolarHBondContact O-N 2.87Å; F197-I200 PolarHBondContact O-N 2.92Å; F197-L201 VanDerWaalsContact O-CB 3.23Å; F197-L201 WeakPolarHBondContact O-CB 3.21Å; F197-L201 WeakPolarHBondContact O-CD1 3.28Å; F197-L201 WeakPolarHBondContact O-CG 3.5Å; F197-L201 PolarHBondContact O-N 3.37Å
198Q69.9Low62Low130 Ų13085.5 Ų85.561%0.60743%0.426SS*.Hα-helixtrans-66.6-29.6176.6-75.5-1785.300113.1L194 D195 L201L194-Q198 WeakPolarHBondContact O-CB 3.39Å; L194-Q198 WeakPolarHBondContact O-CG 3.35Å; L194-Q198 PolarHBondContact O-N 3.14Å; D195-Q198 PolarHBondContact O-N 3.09Å; Q198-L201 VanDerWaalsContact O-O 3.05Å
199H65.5Low60.2Low94 Ų9491 Ų9144%0.43545%0.447SS..Hα-helixtrans-79.6-35.7174.8-86-73.2000113.4L135 D195 M196 F197L135-H199 HydrophobicContact CD2-CB 4.12Å; D195-H199 PolarHBondContact O-CD2 2.93Å; D195-H199 VanDerWaalsContact O-CD2 3.31Å; D195-H199 PolarHBondContact O-N 3.24Å; M196-H199 PolarHBondContact O-N 2.99Å; F197-H199 VanDerWaalsContact C-N 3.29Å; F197-H199 PolarHBondContact O-N 2.87Å
200I62.6Low58.2Low131 Ų13193.7 Ų93.767%0.67247%0.468SS*.Hα-helixtrans-79.9-37.3-180-66.2164.8000111.4M196 F197M196-I200 WeakPolarHBondContact O-CB 3.32Å; M196-I200 WeakPolarHBondContact O-CD1 3.36Å; M196-I200 VanDerWaalsContact O-CG1 3.26Å; M196-I200 WeakPolarHBondContact O-CG1 3.05Å; M196-I200 PolarHBondContact O-N 2.98Å; F197-I200 PolarHBondContact O-N 2.92Å
201L51.5Low56.1Low112 Ų11296.5 Ų96.559%0.58648%0.479SS*.SBendtrans-67.6131.7168-75.4158.8000107.3F197 Q198 R203F197-L201 VanDerWaalsContact O-CB 3.23Å; F197-L201 WeakPolarHBondContact O-CB 3.21Å; F197-L201 WeakPolarHBondContact O-CD1 3.28Å; F197-L201 WeakPolarHBondContact O-CG 3.5Å; F197-L201 PolarHBondContact O-N 3.37Å; Q198-L201 VanDerWaalsContact O-O 3.05Å; L201-R203 PolarHBondContact O-N 3.47Å
202P44.5Very low54Low83 Ų83100.5 Ų100.554%0.53950%0.496SS..  trans-53.4114178.917.2-27.7000108.8K204 L207P202-K204 PolarHBondContact O-N 3.27Å; P202-L207 HydrophobicContact CB-CD1 3.57Å
203R46.9Very low52.1Low116 Ų116110.3 Ų110.344%0.43856%0.555SS.*  trans-52.6101.4161.4-121.1-172.4-176.5-167.61.7104.2Y98 L201 S205 F206 L207Y98-R203 PolarHBondContact OH-NH1 3.46Å; L201-R203 PolarHBondContact O-N 3.47Å; R203-S205 WeakPolarHBondContact CD-OG 3.42Å; R203-S205 VanDerWaalsContact CG-OG 3.31Å; R203-S205 WeakPolarHBondContact CG-OG 3.44Å; R203-S205 PolarHBondContact O-N 2.66Å; R203-F206 HydrophobicContact CB-CB 4.39Å; R203-F206 PolarHBondContact O-N 3.16Å; R203-L207 PolarHBondContact O-N 3.07Å
204K34.6Very low50.7Low169 Ų169113 Ų11374%0.73557%0.568SS**Hα-helixtrans-52.5-25.6172.8-86.7-174.2171.7-175.50110P202 F206 L207 I208P202-K204 PolarHBondContact O-N 3.27Å; K204-F206 VanDerWaalsContact C-N 3.32Å; K204-F206 PolarHBondContact O-N 3.01Å; K204-L207 PolarHBondContact O-N 2.84Å; K204-I208 HydrophobicContact CB-CD1 4.38Å; K204-I208 WeakPolarHBondContact O-CB 3.38Å; K204-I208 WeakPolarHBondContact O-CD1 3.39Å; K204-I208 WeakPolarHBondContact O-CG1 3.26Å; K204-I208 PolarHBondContact O-N 3.22Å
205S38.5Very low49.2Very low69 Ų69113.4 Ų113.448%0.48357%0.569SS.*Hα-helixtrans-66.6-19.6172.850.60000116R203R203-S205 WeakPolarHBondContact CD-OG 3.42Å; R203-S205 VanDerWaalsContact CG-OG 3.31Å; R203-S205 WeakPolarHBondContact CG-OG 3.44Å; R203-S205 PolarHBondContact O-N 2.66Å
206F40.5Very low48Very low110 Ų110116.9 Ų116.948%0.48259%0.586SS.*Hα-helixtrans-96.8-27.1174.2-123.2-91.2000113V128 R203 K204V128-F206 HydrophobicContact CG2-CE1 4.4Å; R203-F206 HydrophobicContact CB-CB 4.39Å; R203-F206 PolarHBondContact O-N 3.16Å; K204-F206 VanDerWaalsContact C-N 3.32Å; K204-F206 PolarHBondContact O-N 3.01Å
207L36.4Very low46.4Very low90 Ų90122.4 Ų122.447%0.47161%0.613SS.*Hα-helixtrans-82.8-24.7175.7-84.1163.4000113.8P202 R203 K204 Y209 S210 E211P202-L207 HydrophobicContact CB-CD1 3.57Å; R203-L207 PolarHBondContact O-N 3.07Å; K204-L207 PolarHBondContact O-N 2.84Å; L207-Y209 PolarHBondContact O-N 3.42Å; L207-Y209 VanDerWaalsContact O-N 3.16Å; L207-S210 PolarHBondContact O-N 3.18Å; L207-E211 PolarHBondContact O-N 3.17Å
208I37.8Very low44.6Very low101 Ų101122.6 Ų122.652%0.51862%0.619SS.*THydrogen-bonded Turntrans-62.9-20.1173.2-70.4163000111.9K204K204-I208 HydrophobicContact CB-CD1 4.38Å; K204-I208 WeakPolarHBondContact O-CB 3.38Å; K204-I208 WeakPolarHBondContact O-CD1 3.39Å; K204-I208 WeakPolarHBondContact O-CG1 3.26Å; K204-I208 PolarHBondContact O-N 3.22Å
209Y38.6Very low42.9Very low129 Ų129122.1 Ų122.151%0.50662%0.62SS.*THydrogen-bonded Turntrans-95.51.9174.8-85.9-84.3000114.9S115 L207S115-Y209 WeakPolarHBondContact CB-OH 3.42Å; L207-Y209 PolarHBondContact O-N 3.42Å; L207-Y209 VanDerWaalsContact O-N 3.16Å
210S37.3Very low41.3Very low88 Ų88124.1 Ų124.162%0.61563%0.633SS**THydrogen-bonded Turntrans-107.5-9.2176.8-176.80000113.3L207L207-S210 PolarHBondContact O-N 3.18Å
211E36.9Very low39.6Very low167 Ų167123.6 Ų123.678%0.7863%0.63SS**SBendtrans-106.24179.4-78.7-177.315600113.7L207L207-E211 PolarHBondContact O-N 3.17Å
212E34.7Very low38.6Very low162 Ų162124.6 Ų124.676%0.75763%0.634SS**  trans-10476.6169.1-69-173.3172.700110.4
213V36.9Very low38.1Very low211 Ų211128.4 Ų128.4100%1.27964%0.642SS**  trans-102.40147.5171.90000107

Retrieved 213 of 213 residues in 77.5 ms (Link to these results)

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