A0A077Z385_TRITR Loading...

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

AlphaFold DB , UniProt , Accession A0A077Z385, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 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
1M39.8Very low53.6Low156 Ų15674.8 Ų74.877%0.76843%0.425SS*.  0-59.80-168.1178.6139.700111T3 S4 I5M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.38Å; M1-S4 PolarHBondContact O-N 2.91Å; M1-S4 VanDerWaalsContact O-N 3.13Å; M1-I5 HydrophobicContact CE-CD1 3.78Å; M1-I5 HydrophobicContact CG-CD1 3.9Å; M1-I5 WeakPolarHBondContact O-CG1 3.44Å; M1-I5 PolarHBondContact O-N 3.01Å
2L44.8Very low54.8Low155 Ų15574.6 Ų74.681%0.81243%0.426SS*.Hα-helixtrans-53.3-43.5175.9-83.8156.8000113.7I5 G6L2-I5 PolarHBondContact O-N 2.86Å; L2-G6 PolarHBondContact O-N 3.3Å
3T47.8Very low55.6Low99 Ų9976.2 Ų76.261%0.60742%0.422SS*.Hα-helixtrans-61.6-46.417647.90000112.2M1 I5 G6 L7M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.38Å; T3-I5 PolarHBondContact O-N 3.15Å; T3-G6 PolarHBondContact O-N 3.2Å; T3-L7 WeakPolarHBondContact O-CB 3.38Å; T3-L7 VanDerWaalsContact O-CG 3.26Å; T3-L7 WeakPolarHBondContact O-CG 3.46Å; T3-L7 PolarHBondContact O-N 3.47Å
4S52.2Low56Low22 Ų2276.7 Ų76.715%0.15441%0.414CS..Hα-helixtrans-62.5-40.9176.9-50.40000112.5M1 L7 F8 T218M1-S4 PolarHBondContact O-N 2.91Å; M1-S4 VanDerWaalsContact O-N 3.13Å; S4-L7 PolarHBondContact O-N 3.39Å; S4-F8 WeakPolarHBondContact O-CB 3.18Å; S4-F8 PolarHBondContact O-N 2.98Å; S4-T218 WeakPolarHBondContact OG-CG2 3.48Å
5I50.7Low56.7Low80 Ų8079.1 Ų79.141%0.4143%0.425SS..Hα-helixtrans-64.2-46.2174.5-66166.9000109.8M1 L2 T3 L7 F8 C9M1-I5 HydrophobicContact CE-CD1 3.78Å; M1-I5 HydrophobicContact CG-CD1 3.9Å; M1-I5 WeakPolarHBondContact O-CG1 3.44Å; M1-I5 PolarHBondContact O-N 3.01Å; L2-I5 PolarHBondContact O-N 2.86Å; T3-I5 PolarHBondContact O-N 3.15Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 3.17Å; I5-F8 PolarHBondContact O-N 3.03Å; I5-C9 WeakPolarHBondContact O-CB 3.41Å; I5-C9 PolarHBondContact O-N 3.44Å; I5-C9 PolarHBondContact O-SG 2.96Å
6G53.8Low57.4Low42 Ų4283.2 Ų83.243%0.43343%0.433SS..Hα-helixtrans-59.3-40.3176.100000112.7L2 T3 S10L2-G6 PolarHBondContact O-N 3.3Å; T3-G6 PolarHBondContact O-N 3.2Å; G6-S10 VanDerWaalsContact O-CB 3.22Å; G6-S10 WeakPolarHBondContact O-CB 3.4Å; G6-S10 PolarHBondContact O-N 2.91Å
7L55.6Low57.7Low22 Ų2281 Ų8112%0.11542%0.418CS..Hα-helixtrans-68.1-40.5175.6-73177.3000112.3T3 S4 I5 S10 S11 L214 T218T3-L7 WeakPolarHBondContact O-CB 3.38Å; T3-L7 VanDerWaalsContact O-CG 3.26Å; T3-L7 WeakPolarHBondContact O-CG 3.46Å; T3-L7 PolarHBondContact O-N 3.47Å; S4-L7 PolarHBondContact O-N 3.39Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-N 3.38Å; L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3.35Å; L7-S11 PolarHBondContact O-OG 3.47Å; L7-L214 HydrophobicContact CB-CD2 4.03Å; L7-L214 HydrophobicContact CD1-CD2 3.98Å; L7-L214 HydrophobicContact CD1-CG 4.29Å; L7-L214 HydrophobicContact CD2-CD2 3.3Å; L7-L214 HydrophobicContact CD2-CG 4.4Å; L7-L214 HydrophobicContact CG-CD2 3.93Å; L7-T218 HydrophobicContact CD1-CG2 4.27Å
8F60.1Low57.8Low128 Ų12886.9 Ų86.956%0.56143%0.434SS*.Hα-helixtrans-64.2-49.4174.6-176.3-97.7000110.8S4 I5 S10 S11 V12S4-F8 WeakPolarHBondContact O-CB 3.18Å; S4-F8 PolarHBondContact O-N 2.98Å; I5-F8 PolarHBondContact O-N 3.03Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.43Å; F8-S11 WeakPolarHBondContact O-CB 3.49Å; F8-S11 PolarHBondContact O-N 2.96Å; F8-S11 VanDerWaalsContact O-N 3.1Å; F8-V12 HydrophobicContact CD1-CG2 4.04Å; F8-V12 HydrophobicContact CE1-CG2 3.67Å; F8-V12 HydrophobicContact CE2-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.86Å; F8-V12 WeakPolarHBondContact O-CG2 3.42Å; F8-V12 PolarHBondContact O-N 3.29Å
9C61.5Low57.9Low72 Ų7292.3 Ų92.349%0.48645%0.454SS..Hα-helixtrans-59.2-41.6175.5-690000111.9I5 S11 V12 Y13I5-C9 WeakPolarHBondContact O-CB 3.41Å; I5-C9 PolarHBondContact O-N 3.44Å; I5-C9 PolarHBondContact O-SG 2.96Å; C9-S11 VanDerWaalsContact C-N 3.34Å; C9-S11 PolarHBondContact O-N 3.21Å; C9-V12 PolarHBondContact O-N 2.9Å; C9-Y13 WeakPolarHBondContact O-CB 3.33Å; C9-Y13 PolarHBondContact O-N 3.44Å
10S59.3Low57.9Low19 Ų1995.2 Ų95.213%0.13346%0.46CS..Hα-helixtrans-63-39.7174.6-177.80000112.1G6 L7 F8 Y13 R14G6-S10 VanDerWaalsContact O-CB 3.22Å; G6-S10 WeakPolarHBondContact O-CB 3.4Å; G6-S10 PolarHBondContact O-N 2.91Å; L7-S10 PolarHBondContact O-N 3.38Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.43Å; S10-Y13 PolarHBondContact O-N 3.26Å; S10-R14 WeakPolarHBondContact O-CB 3.44Å; S10-R14 PolarHBondContact O-N 2.9Å
11S64.1Low57.6Low28 Ų2897.4 Ų97.420%0.19647%0.47CS..Hα-helixtrans-67.6-45.1177.1-57.80000111.7L7 F8 C9 R14 I15L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3.35Å; L7-S11 PolarHBondContact O-OG 3.47Å; F8-S11 WeakPolarHBondContact O-CB 3.49Å; F8-S11 PolarHBondContact O-N 2.96Å; F8-S11 VanDerWaalsContact O-N 3.1Å; C9-S11 VanDerWaalsContact C-N 3.34Å; C9-S11 PolarHBondContact O-N 3.21Å; S11-R14 PolarHBondContact O-N 3.35Å; S11-I15 WeakPolarHBondContact O-CG1 3.43Å; S11-I15 PolarHBondContact O-N 3.01Å
12V67.8Low58.5Low72 Ų7295.6 Ų95.644%0.43647%0.47SS..Hα-helixtrans-62.8-43.4175.2173.70000110.7F8 C9 R14 I15 W16F8-V12 HydrophobicContact CD1-CG2 4.04Å; F8-V12 HydrophobicContact CE1-CG2 3.67Å; F8-V12 HydrophobicContact CE2-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.86Å; F8-V12 WeakPolarHBondContact O-CG2 3.42Å; F8-V12 PolarHBondContact O-N 3.29Å; C9-V12 PolarHBondContact O-N 2.9Å; V12-R14 VanDerWaalsContact C-N 3.35Å; V12-R14 PolarHBondContact O-N 2.95Å; V12-I15 PolarHBondContact O-N 3.49Å; V12-W16 PolarHBondContact O-N 3.02Å
13Y65.8Low59.6Low96 Ų9693.4 Ų93.438%0.37646%0.455SS..Hα-helixtrans-61-42.3176.2-176.4-98.8000111.7C9 S10 W16 W17 H36C9-Y13 WeakPolarHBondContact O-CB 3.33Å; C9-Y13 PolarHBondContact O-N 3.44Å; S10-Y13 PolarHBondContact O-N 3.26Å; Y13-W16 PolarHBondContact O-N 2.74Å; Y13-W17 AromaticContact CE1-CD1 3.62Å; Y13-W17 AromaticContact CZ-CD1 3.64Å; Y13-W17 PolarHBondContact O-N 3.31Å; Y13-W17 PolarHBondContact OH-NE1 3.4Å; Y13-H36 HydrophobicContact CD1-CB 4.41Å; Y13-H36 AromaticContact CE1-ND1 3.65Å
14R61.1Low61.1Low83 Ų8392.9 Ų92.931%0.31345%0.454SS..Hα-helixtrans-60.8-43.4172.8-96.4-176.4168.1175.3-0.4112.7S10 S11 V12 W16 W17 W18S10-R14 WeakPolarHBondContact O-CB 3.44Å; S10-R14 PolarHBondContact O-N 2.9Å; S11-R14 PolarHBondContact O-N 3.35Å; V12-R14 VanDerWaalsContact C-N 3.35Å; V12-R14 PolarHBondContact O-N 2.95Å; R14-W16 VanDerWaalsContact C-N 3.31Å; R14-W16 PolarHBondContact O-N 3.41Å; R14-W17 PolarHBondContact O-N 3.49Å; R14-W18 WeakPolarHBondContact O-CB 3.33Å; R14-W18 PolarHBondContact O-N 3.33Å
15I65.9Low62.6Low112 Ų11293.3 Ų93.357%0.57446%0.455SS*.Hα-helixtrans-64.5-39177.6-66.8164.4000110.6S11 V12 W18S11-I15 WeakPolarHBondContact O-CG1 3.43Å; S11-I15 PolarHBondContact O-N 3.01Å; V12-I15 PolarHBondContact O-N 3.49Å; I15-W18 WeakPolarHBondContact O-CB 3.23Å; I15-W18 PolarHBondContact O-N 3.05Å
16W68.5Low64.2Low145 Ų14595.5 Ų95.555%0.54946%0.458SS..Hα-helixtrans-66-45.8176.3-172.981.5000111.7V12 Y13 R14 W18 K19V12-W16 PolarHBondContact O-N 3.02Å; Y13-W16 PolarHBondContact O-N 2.74Å; R14-W16 VanDerWaalsContact C-N 3.31Å; R14-W16 PolarHBondContact O-N 3.41Å; W16-W18 VanDerWaalsContact C-N 3.25Å; W16-W18 PolarHBondContact O-N 3.21Å; W16-K19 PolarHBondContact O-N 2.89Å
17W62.5Low65.7Low46 Ų4693.6 Ų93.617%0.17444%0.437CS..Hα-helixtrans-63.6-32174.3-124.6124.5000111.9Y13 R14 K19 R20 M34Y13-W17 AromaticContact CE1-CD1 3.62Å; Y13-W17 AromaticContact CZ-CD1 3.64Å; Y13-W17 PolarHBondContact O-N 3.31Å; Y13-W17 PolarHBondContact OH-NE1 3.4Å; R14-W17 PolarHBondContact O-N 3.49Å; W17-K19 PolarHBondContact O-N 3.27Å; W17-R20 HydrophobicContact CD2-CB 4.3Å; W17-R20 HydrophobicContact CE3-CB 3.42Å; W17-R20 VanDerWaalsContact CE3-CB 3.42Å; W17-R20 HydrophobicContact CH2-CB 3.85Å; W17-R20 HydrophobicContact CZ3-CB 3.15Å; W17-R20 HydrophobicContact CZ3-CG 4.31Å; W17-R20 PolarHBondContact O-N 3.18Å; W17-M34 HydrophobicContact CZ2-CE 4.49Å
18W59.1Low67Low187 Ų18793.1 Ų93.171%0.70844%0.436SS*.THydrogen-bonded Turntrans-54.1-22177.2-160.435.6000113.9R14 I15 W16R14-W18 WeakPolarHBondContact O-CB 3.33Å; R14-W18 PolarHBondContact O-N 3.33Å; I15-W18 WeakPolarHBondContact O-CB 3.23Å; I15-W18 PolarHBondContact O-N 3.05Å; W16-W18 VanDerWaalsContact C-N 3.25Å; W16-W18 PolarHBondContact O-N 3.21Å
19K60.6Low68.2Low190 Ų19090.7 Ų90.783%0.82643%0.426SS*.THydrogen-bonded Turntrans-88.7-16.7175.6-71.3-169.6175.4-173.20115.6W16 W17W16-K19 PolarHBondContact O-N 2.89Å; W17-K19 PolarHBondContact O-N 3.27Å
20R56.4Low69.2Low150 Ų15087.2 Ų87.257%0.56640%0.403SS*.SBendtrans-88.7142.5174.4-89.5-170.4-179.9-168.9-0.2110W17W17-R20 HydrophobicContact CD2-CB 4.3Å; W17-R20 HydrophobicContact CE3-CB 3.42Å; W17-R20 VanDerWaalsContact CE3-CB 3.42Å; W17-R20 HydrophobicContact CH2-CB 3.85Å; W17-R20 HydrophobicContact CZ3-CB 3.15Å; W17-R20 HydrophobicContact CZ3-CG 4.31Å; W17-R20 PolarHBondContact O-N 3.18Å
21E53Low70.5Confident142 Ų14286.7 Ų86.766%0.66440%0.399SS*.  trans-48.7152.5-163.4-72.2169.817200116.6H23E21-H23 PolarHBondContact O-N 3.35Å
22P57.6Low71.4Confident118 Ų11889 Ų8977%0.76641%0.411SS*.  trans-75.882.7-174.932.7-35.8000111.5
23H69.2Low72Confident108 Ų10890.9 Ų90.950%0.542%0.419SS..  trans-78.9138.7166.7-63-54.1000110.9E21 S109E21-H23 PolarHBondContact O-N 3.35Å; H23-S109 WeakPolarHBondContact O-CB 3.44Å; H23-S109 PolarHBondContact O-N 3.41Å; H23-S109 PolarHBondContact O-OG 2.96Å
24C78.5Confident72.7Confident88 Ų8887.8 Ų87.860%0.59541%0.408SS*.EExtended strand (participates in β ladder)trans-90.8128.5168.7-70.40000108.7L106 I107C24-L106 HydrophobicContact CB-CB 4.12Å; C24-L106 HydrophobicContact CB-CD1 4.44Å; C24-I107 CarbonylContact C-O 3.44Å; C24-I107 VanDerWaalsContact CA-O 3.28Å; C24-I107 WeakPolarHBondContact CA-O 3.24Å
25I82.7Confident73.5Confident32 Ų3291.2 Ų91.216%0.16443%0.426CS..EExtended strand (participates in β ladder)trans-126.3161.6-175.961175.3000110.8C30 I107I25-C30 HydrophobicContact CD1-CB 3.58Å; I25-C30 HydrophobicContact CG1-CB 4.2Å; I25-I107 HydrophobicContact CG1-CG1 4.22Å; I25-I107 PolarHBondContact N-O 3.23Å; I25-I107 VanDerWaalsContact O-CG1 3.27Å; I25-I107 WeakPolarHBondContact O-CG1 3.34Å; I25-I107 PolarHBondContact O-N 2.88Å
26R84.7Confident73.9Confident126 Ų12687.2 Ų87.248%0.47541%0.405SS..  trans-74.1146.7173.4-63.7-178.6-178.7172.60.6110.7S28 Q29 C30 L106R26-S28 VanDerWaalsContact C-N 3.29Å; R26-S28 PolarHBondContact O-N 3.15Å; R26-Q29 HydrophobicContact CB-CB 4.33Å; R26-Q29 HydrophobicContact CB-CG 4.2Å; R26-Q29 WeakPolarHBondContact O-CB 3.01Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-C30 PolarHBondContact O-N 3.38Å; R26-L106 HydrophobicContact CG-CD2 4.37Å
27P85.1Confident74.4Confident1 Ų180.5 Ų80.51%0.00638%0.38CS..Hα-helixtrans-53.8-39.2177.6-31.935.1000115.2C30 A99 R102 K105 I107P27-C30 WeakPolarHBondContact O-CB 3.37Å; P27-A99 HydrophobicContact CB-CB 3.89Å; P27-R102 HydrophobicContact CG-CB 4.45Å; P27-K105 WeakPolarHBondContact CD-O 3.42Å; P27-I107 HydrophobicContact CB-CD1 4.34Å; P27-I107 HydrophobicContact CG-CD1 4.3Å; P27-I107 HydrophobicContact CG-CG1 4.37Å; P27-I107 HydrophobicContact CG-CG2 3.99Å
28S83.7Confident75.3Confident12 Ų1279.5 Ų79.58%0.08438%0.379CS..Hα-helixtrans-67.2-47.8177.547.20000111.6R26 C30 I31 T32 N103R26-S28 VanDerWaalsContact C-N 3.29Å; R26-S28 PolarHBondContact O-N 3.15Å; S28-C30 VanDerWaalsContact C-N 3.25Å; S28-C30 PolarHBondContact O-N 2.98Å; S28-I31 PolarHBondContact O-N 3.44Å; S28-T32 PolarHBondContact O-N 3.01Å; S28-T32 VanDerWaalsContact O-N 3.08Å; S28-T32 PolarHBondContact O-OG1 3.33Å; S28-N103 WeakPolarHBondContact CB-OD1 3.17Å; S28-N103 PolarHBondContact OG-OD1 2.93Å
29Q85.2Confident76.3Confident77 Ų7776.2 Ų76.236%0.3637%0.373SS..Hα-helixtrans-57.4-38.7175.1-71.9176.1-31.200112.2R26 I31 T32 D33R26-Q29 HydrophobicContact CB-CB 4.33Å; R26-Q29 HydrophobicContact CB-CG 4.2Å; R26-Q29 WeakPolarHBondContact O-CB 3.01Å; R26-Q29 PolarHBondContact O-N 2.95Å; Q29-I31 PolarHBondContact O-N 3.22Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.44Å; Q29-T32 PolarHBondContact O-N 3.42Å; Q29-T32 PolarHBondContact O-OG1 2.93Å; Q29-D33 VanDerWaalsContact O-CB 3.23Å; Q29-D33 WeakPolarHBondContact O-CB 3.41Å; Q29-D33 VanDerWaalsContact O-CG 3.28Å; Q29-D33 PolarHBondContact O-N 2.93Å
30C83.4Confident77.2Confident0 Ų069.3 Ų69.30%034%0.344CS..Hα-helixtrans-58.7-30174.1166.60000113.6I25 R26 P27 S28 M34 I107 C111I25-C30 HydrophobicContact CD1-CB 3.58Å; I25-C30 HydrophobicContact CG1-CB 4.2Å; R26-C30 PolarHBondContact O-N 3.38Å; P27-C30 WeakPolarHBondContact O-CB 3.37Å; S28-C30 VanDerWaalsContact C-N 3.25Å; S28-C30 PolarHBondContact O-N 2.98Å; C30-M34 WeakPolarHBondContact O-CB 3.45Å; C30-I107 HydrophobicContact CB-CD1 3.91Å; C30-C111 VanDerWaalsContact CA-SG 3.53Å; C30-C111 HydrophobicContact CB-CB 4.4Å; C30-C111 WeakPolarHBondContact CB-SG 3.4Å; C30-C111 WeakPolarHBondContact SG-CA 3.21Å; C30-C111 WeakPolarHBondContact SG-CB 3.39Å; C30-C111 CovalentContact SG-SG 2.01Å; C30-C111 PolarHBondContact SG-SG 3Å
31I84.7Confident78.5Confident8 Ų862.2 Ų62.24%0.04132%0.317CS..Hα-helixtrans-88.3-37.3179.2-61.8165.4000110.7S28 Q29 V92 V95 Y96 A99 Y116S28-I31 PolarHBondContact O-N 3.44Å; Q29-I31 PolarHBondContact O-N 3.22Å; I31-V92 HydrophobicContact CG2-CG1 4.46Å; I31-V95 HydrophobicContact CD1-CG1 3.82Å; I31-Y96 HydrophobicContact CB-CD2 4.32Å; I31-Y96 HydrophobicContact CG2-CD2 4.19Å; I31-A99 HydrophobicContact CD1-CB 3.63Å; I31-Y116 HydrophobicContact CD1-CD2 4.37Å
32T83.9Confident79.9Confident75 Ų7556.4 Ų56.446%0.4629%0.291SS..Hα-helixtrans-79.2-45.9-176.553.30000112.9S28 Q29 Y96S28-T32 PolarHBondContact O-N 3.01Å; S28-T32 VanDerWaalsContact O-N 3.08Å; S28-T32 PolarHBondContact O-OG1 3.33Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.44Å; Q29-T32 PolarHBondContact O-N 3.42Å; Q29-T32 PolarHBondContact O-OG1 2.93Å; T32-Y96 HydrophobicContact CG2-CD2 4.18Å; T32-Y96 HydrophobicContact CG2-CE2 3.44Å; T32-Y96 VanDerWaalsContact CG2-CE2 3.44Å
33D81.2Confident81Confident112 Ų11252.2 Ų52.260%0.59927%0.269SS*.THydrogen-bonded Turntrans-83.8-26.8-168.9-55.8-4.5000110.6Q29Q29-D33 VanDerWaalsContact O-CB 3.23Å; Q29-D33 WeakPolarHBondContact O-CB 3.41Å; Q29-D33 VanDerWaalsContact O-CG 3.28Å; Q29-D33 PolarHBondContact O-N 2.93Å
34M79.9Confident81.6Confident31 Ų3148.4 Ų48.415%0.15326%0.255CS..  trans-103.481.2-177.4-62-69.7-179.600110.8W17 C30 H36 V37 P38W17-M34 HydrophobicContact CZ2-CE 4.49Å; C30-M34 WeakPolarHBondContact O-CB 3.45Å; M34-H36 PolarHBondContact O-N 3.38Å; M34-V37 HydrophobicContact CB-CG2 3.8Å; M34-V37 WeakPolarHBondContact O-CB 3.42Å; M34-V37 PolarHBondContact O-N 2.92Å; M34-P38 VanDerWaalsContact O-CD 3.24Å; M34-P38 WeakPolarHBondContact O-CD 3.18Å
35F76.8Confident81.9Confident155 Ų15544.4 Ų44.468%0.6823%0.228SC*.THydrogen-bonded Turntrans-47.8-30.5179.7178.5-98.8000114.8V37 P38 M39F35-V37 PolarHBondContact O-N 3.19Å; F35-P38 VanDerWaalsContact O-CD 3.29Å; F35-P38 WeakPolarHBondContact O-CD 3.46Å; F35-P38 WeakPolarHBondContact O-CG 3.43Å; F35-M39 HydrophobicContact CD1-CB 4.46Å; F35-M39 HydrophobicContact CE1-CB 4.11Å; F35-M39 HydrophobicContact CE1-CG 4.17Å; F35-M39 HydrophobicContact CE1-SD 4.46Å; F35-M39 HydrophobicContact CZ-CB 4.41Å; F35-M39 HydrophobicContact CZ-CG 4.46Å; F35-M39 HydrophobicContact CZ-SD 4.21Å; F35-M39 VanDerWaalsContact O-CB 3.31Å; F35-M39 WeakPolarHBondContact O-CB 3.39Å; F35-M39 PolarHBondContact O-N 2.89Å
36H74.5Confident82Confident29 Ų2944.4 Ų44.413%0.13423%0.23CC..Hα-helixtrans-64.4-24.6177.773.5-89.8000113.6Y13 M34 H40Y13-H36 HydrophobicContact CD1-CB 4.41Å; Y13-H36 AromaticContact CE1-ND1 3.65Å; M34-H36 PolarHBondContact O-N 3.38Å; H36-H40 WeakPolarHBondContact O-CB 3.35Å; H36-H40 PolarHBondContact O-N 3Å
37V79.3Confident82Confident4 Ų441.9 Ų41.92%0.02423%0.226CC..Hα-helixtrans-68.5-61.3179.2177.70000111.2M34 F35 M39 H40 M41 C111 Y116M34-V37 HydrophobicContact CB-CG2 3.8Å; M34-V37 WeakPolarHBondContact O-CB 3.42Å; M34-V37 PolarHBondContact O-N 2.92Å; F35-V37 PolarHBondContact O-N 3.19Å; V37-M39 VanDerWaalsContact C-N 3.28Å; V37-M39 PolarHBondContact O-N 3.41Å; V37-H40 PolarHBondContact O-N 2.92Å; V37-M41 HydrophobicContact CG1-SD 3.89Å; V37-M41 VanDerWaalsContact O-CG 3.28Å; V37-M41 WeakPolarHBondContact O-CG 3.38Å; V37-M41 PolarHBondContact O-N 3.37Å; V37-C111 HydrophobicContact CG2-CB 3.73Å; V37-Y116 HydrophobicContact CG1-CE1 4.06Å
38P82.4Confident82Confident25 Ų2542.4 Ų42.416%0.16223%0.23CC..Hα-helixtrans-62-37.9177.525.2-34.2000111.5M34 F35 H40 M41 V42 V92M34-P38 VanDerWaalsContact O-CD 3.24Å; M34-P38 WeakPolarHBondContact O-CD 3.18Å; F35-P38 VanDerWaalsContact O-CD 3.29Å; F35-P38 WeakPolarHBondContact O-CD 3.46Å; F35-P38 WeakPolarHBondContact O-CG 3.43Å; P38-H40 PolarHBondContact O-N 3.38Å; P38-M41 PolarHBondContact O-N 3.03Å; P38-V42 WeakPolarHBondContact O-CG2 3.4Å; P38-V42 PolarHBondContact O-N 2.88Å; P38-V92 HydrophobicContact CB-CG1 3.77Å; P38-V92 HydrophobicContact CB-CG2 4.23Å
39M79.3Confident82.3Confident118 Ų11844.7 Ų44.758%0.58124%0.239SC*.Hα-helixtrans-62.6-41.9177.8-16764.8177.900112.3F35 V37 G43F35-M39 HydrophobicContact CD1-CB 4.46Å; F35-M39 HydrophobicContact CE1-CB 4.11Å; F35-M39 HydrophobicContact CE1-CG 4.17Å; F35-M39 HydrophobicContact CE1-SD 4.46Å; F35-M39 HydrophobicContact CZ-CB 4.41Å; F35-M39 HydrophobicContact CZ-CG 4.46Å; F35-M39 HydrophobicContact CZ-SD 4.21Å; F35-M39 VanDerWaalsContact O-CB 3.31Å; F35-M39 WeakPolarHBondContact O-CB 3.39Å; F35-M39 PolarHBondContact O-N 2.89Å; V37-M39 VanDerWaalsContact C-N 3.28Å; V37-M39 PolarHBondContact O-N 3.41Å; M39-G43 PolarHBondContact O-N 3.48Å
40H79Confident82.4Confident44 Ų4441.9 Ų41.920%0.20423%0.229CC..Hα-helixtrans-67.6-38.3174.6176-78.6000111.9H36 V37 P38 S44H36-H40 WeakPolarHBondContact O-CB 3.35Å; H36-H40 PolarHBondContact O-N 3Å; V37-H40 PolarHBondContact O-N 2.92Å; P38-H40 PolarHBondContact O-N 3.38Å; H40-S44 WeakPolarHBondContact O-CB 3.49Å; H40-S44 PolarHBondContact O-N 3.49Å
41M83.6Confident82.6Confident2 Ų244 Ų441%0.0124%0.239CC..Hα-helixtrans-61.4-55.7176.5-71.3169.56200110.8V37 P38 G43 S44 D45 E91 V92 V95 Y116V37-M41 HydrophobicContact CG1-SD 3.89Å; V37-M41 VanDerWaalsContact O-CG 3.28Å; V37-M41 WeakPolarHBondContact O-CG 3.38Å; V37-M41 PolarHBondContact O-N 3.37Å; P38-M41 PolarHBondContact O-N 3.03Å; M41-G43 VanDerWaalsContact C-N 3.32Å; M41-G43 PolarHBondContact O-N 3.01Å; M41-S44 PolarHBondContact O-N 3.32Å; M41-D45 WeakPolarHBondContact O-CB 3.36Å; M41-D45 PolarHBondContact O-N 3.36Å; M41-E91 VanDerWaalsContact CE-OE1 3.24Å; M41-E91 WeakPolarHBondContact CE-OE1 3.43Å; M41-E91 VanDerWaalsContact CE-OE2 3.25Å; M41-E91 WeakPolarHBondContact CE-OE2 3.19Å; M41-V92 HydrophobicContact CB-CG2 4.07Å; M41-V92 HydrophobicContact CE-CG2 4.18Å; M41-V95 HydrophobicContact CE-CB 3.81Å; M41-V95 HydrophobicContact CE-CG1 3.87Å; M41-V95 HydrophobicContact CE-CG2 3.75Å; M41-Y116 HydrophobicContact SD-CE2 4.38Å; M41-Y116 PolarHBondContact SD-OH 3.14Å; M41-Y116 VanDerWaalsContact SD-OH 3.4Å
42V84.3Confident82.8Confident20 Ų2045.6 Ų45.612%0.12125%0.248CC..Hα-helixtrans-58-46.4177.81760000110.7P38 S44 D45 S46 F85 V92P38-V42 WeakPolarHBondContact O-CG2 3.4Å; P38-V42 PolarHBondContact O-N 2.88Å; V42-S44 PolarHBondContact O-N 2.95Å; V42-D45 PolarHBondContact O-N 3.1Å; V42-S46 WeakPolarHBondContact O-CB 3.41Å; V42-S46 PolarHBondContact O-N 3.25Å; V42-S46 PolarHBondContact O-OG 3.38Å; V42-F85 HydrophobicContact CG1-CD2 4.17Å; V42-F85 HydrophobicContact CG1-CE2 3.88Å; V42-V92 HydrophobicContact CG2-CG2 3.59Å
43G79.6Confident83.1Confident29 Ų2943 Ų4330%0.29923%0.231SC..Hα-helixtrans-62.9-42.1179.300000113.5M39 M41 S46 L47M39-G43 PolarHBondContact O-N 3.48Å; M41-G43 VanDerWaalsContact C-N 3.32Å; M41-G43 PolarHBondContact O-N 3.01Å; G43-S46 WeakPolarHBondContact CA-OG 3.5Å; G43-S46 PolarHBondContact O-OG 3.39Å; G43-L47 WeakPolarHBondContact O-CB 3.41Å; G43-L47 PolarHBondContact O-N 3.38Å; G43-L47 VanDerWaalsContact O-N 3.09Å
44S82.2Confident83.5Confident28 Ų2840.8 Ų40.820%0.19622%0.218CC..Hα-helixtrans-70-39.9179.6-170.40000112.2H40 M41 V42 A48 K129H40-S44 WeakPolarHBondContact O-CB 3.49Å; H40-S44 PolarHBondContact O-N 3.49Å; M41-S44 PolarHBondContact O-N 3.32Å; V42-S44 PolarHBondContact O-N 2.95Å; S44-A48 WeakPolarHBondContact O-CB 3.29Å; S44-A48 PolarHBondContact O-N 2.84Å; S44-A48 VanDerWaalsContact O-N 3.11Å; S44-K129 PolarHBondContact O-NZ 3.41Å
45D85.2Confident83.9Confident5 Ų539.3 Ų39.33%0.02721%0.211CC..Hα-helixtrans-73.6-48.4-179.3-73.5-3.2000111.4M41 V42 L47 A48 F49 E91 Y125 K129M41-D45 WeakPolarHBondContact O-CB 3.36Å; M41-D45 PolarHBondContact O-N 3.36Å; V42-D45 PolarHBondContact O-N 3.1Å; D45-L47 VanDerWaalsContact C-N 3.27Å; D45-L47 PolarHBondContact O-N 3.04Å; D45-A48 PolarHBondContact O-N 2.91Å; D45-A48 VanDerWaalsContact O-N 3.08Å; D45-F49 HydrophobicContact CB-CD2 4.49Å; D45-F49 HydrophobicContact CB-CE2 4.34Å; D45-F49 WeakPolarHBondContact O-CD2 3.13Å; D45-F49 PolarHBondContact O-N 2.86Å; D45-E91 WeakPolarHBondContact OD2-CG 3.38Å; D45-Y125 WeakPolarHBondContact OD1-CE2 3.35Å; D45-Y125 PolarHBondContact OD1-OH 3.01Å; D45-Y125 VanDerWaalsContact OD1-OH 3.12Å; D45-K129 WeakPolarHBondContact OD1-CE 3.26Å; D45-K129 IonicContact OD1-NZ 2.66Å; D45-K129 PolarHBondContact OD1-NZ 3.13Å
46S84.8Confident84.6Confident32 Ų3235.2 Ų35.222%0.22419%0.193CC..Hα-helixtrans-57.7-40.9174.859.60000112.1V42 G43 A50 S88V42-S46 WeakPolarHBondContact O-CB 3.41Å; V42-S46 PolarHBondContact O-N 3.25Å; V42-S46 PolarHBondContact O-OG 3.38Å; G43-S46 WeakPolarHBondContact CA-OG 3.5Å; G43-S46 PolarHBondContact O-OG 3.39Å; S46-A50 WeakPolarHBondContact O-CB 3.05Å; S46-A50 PolarHBondContact O-N 3.28Å; S46-S88 WeakPolarHBondContact CA-OG 3.41Å; S46-S88 PolarHBondContact N-OG 2.72Å
47L83.9Confident85.4Confident72 Ų7236.5 Ų36.538%0.37720%0.199SC..Hα-helixtrans-63.2-44.4175.3-178.365.4000111.9G43 D45 A50 M51G43-L47 WeakPolarHBondContact O-CB 3.41Å; G43-L47 PolarHBondContact O-N 3.38Å; G43-L47 VanDerWaalsContact O-N 3.09Å; D45-L47 VanDerWaalsContact C-N 3.27Å; D45-L47 PolarHBondContact O-N 3.04Å; L47-A50 PolarHBondContact O-N 3.44Å; L47-M51 HydrophobicContact CD1-CG 4.44Å; L47-M51 HydrophobicContact CG-CE 4.17Å; L47-M51 WeakPolarHBondContact O-CB 3.41Å; L47-M51 VanDerWaalsContact O-CG 3.3Å; L47-M51 WeakPolarHBondContact O-CG 3.43Å; L47-M51 PolarHBondContact O-N 2.88Å
48A86Confident85.8Confident12 Ų1238.8 Ų38.810%0.09921%0.207CC..Hα-helixtrans-63.2-46179.400000111.8S44 D45 M51 L52 K129 M132S44-A48 WeakPolarHBondContact O-CB 3.29Å; S44-A48 PolarHBondContact O-N 2.84Å; S44-A48 VanDerWaalsContact O-N 3.11Å; D45-A48 PolarHBondContact O-N 2.91Å; D45-A48 VanDerWaalsContact O-N 3.08Å; A48-M51 PolarHBondContact O-N 3.34Å; A48-L52 PolarHBondContact O-N 2.98Å; A48-K129 HydrophobicContact CB-CD 4.19Å; A48-M132 HydrophobicContact CB-CE 3.96Å
49F88.9Confident86.1Confident61 Ų6138.6 Ų38.627%0.26820%0.204SC..Hα-helixtrans-66.4-39.5176.1-71.6-61.7000112.4D45 M51 L52 L53 I84 M132D45-F49 HydrophobicContact CB-CD2 4.49Å; D45-F49 HydrophobicContact CB-CE2 4.34Å; D45-F49 WeakPolarHBondContact O-CD2 3.13Å; D45-F49 PolarHBondContact O-N 2.86Å; F49-M51 VanDerWaalsContact C-N 3.34Å; F49-M51 PolarHBondContact O-N 2.67Å; F49-L52 WeakPolarHBondContact O-CB 3.39Å; F49-L52 PolarHBondContact O-N 2.86Å; F49-L53 WeakPolarHBondContact O-CB 3.41Å; F49-L53 PolarHBondContact O-N 3.43Å; F49-I84 HydrophobicContact CB-CB 4.32Å; F49-I84 HydrophobicContact CB-CD1 3.97Å; F49-I84 HydrophobicContact CB-CG1 3.8Å; F49-I84 HydrophobicContact CB-CG2 3.65Å; F49-I84 HydrophobicContact CD2-CG2 4.42Å; F49-I84 HydrophobicContact CG-CG2 4.45Å; F49-M132 HydrophobicContact CD1-SD 3.81Å; F49-M132 HydrophobicContact CE1-SD 3.6Å; F49-M132 HydrophobicContact CZ-SD 4.27Å
50A88Confident86.6Confident17 Ų1733.8 Ų33.814%0.1418%0.181CC..Hα-helixtrans-63.1-41.4175.900000111.4S46 L47 L52 L53 L54 F81S46-A50 WeakPolarHBondContact O-CB 3.05Å; S46-A50 PolarHBondContact O-N 3.28Å; L47-A50 PolarHBondContact O-N 3.44Å; A50-L52 VanDerWaalsContact C-N 3.34Å; A50-L52 PolarHBondContact O-N 3.16Å; A50-L53 PolarHBondContact O-N 3.46Å; A50-L54 WeakPolarHBondContact O-CB 3.34Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 3.34Å; A50-F81 HydrophobicContact CB-CE1 4.06Å
51M86.2Confident87.1Confident46 Ų4635 Ų3523%0.22719%0.188CC..Hα-helixtrans-63.1-40.7174.8-74.4-168.8-62.200112.1L47 A48 F49 L54 S55 I182L47-M51 HydrophobicContact CD1-CG 4.44Å; L47-M51 HydrophobicContact CG-CE 4.17Å; L47-M51 WeakPolarHBondContact O-CB 3.41Å; L47-M51 VanDerWaalsContact O-CG 3.3Å; L47-M51 WeakPolarHBondContact O-CG 3.43Å; L47-M51 PolarHBondContact O-N 2.88Å; A48-M51 PolarHBondContact O-N 3.34Å; F49-M51 VanDerWaalsContact C-N 3.34Å; F49-M51 PolarHBondContact O-N 2.67Å; M51-L54 PolarHBondContact O-N 3.4Å; M51-S55 WeakPolarHBondContact O-CB 3.28Å; M51-S55 PolarHBondContact O-N 2.87Å; M51-S55 PolarHBondContact O-OG 3.41Å; M51-I182 HydrophobicContact CE-CD1 4.14Å; M51-I182 HydrophobicContact CE-CG2 4.35Å; M51-I182 HydrophobicContact SD-CD1 3.54Å; M51-I182 VanDerWaalsContact SD-CD1 3.54Å
52L89.6Confident87.3Confident41 Ų4137 Ų3722%0.21520%0.197CC..Hα-helixtrans-61.6-49.6174.2-177.466.4000111.1A48 F49 A50 L54 S55 F56 M132 V135 C136 F139A48-L52 PolarHBondContact O-N 2.98Å; F49-L52 WeakPolarHBondContact O-CB 3.39Å; F49-L52 PolarHBondContact O-N 2.86Å; A50-L52 VanDerWaalsContact C-N 3.34Å; A50-L52 PolarHBondContact O-N 3.16Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L54 PolarHBondContact O-N 3.32Å; L52-S55 PolarHBondContact O-N 3.49Å; L52-S55 PolarHBondContact O-OG 2.88Å; L52-F56 WeakPolarHBondContact O-CB 3.36Å; L52-F56 PolarHBondContact O-N 3.34Å; L52-M132 HydrophobicContact CD2-CG 4.29Å; L52-V135 HydrophobicContact CD1-CB 4.12Å; L52-V135 HydrophobicContact CD1-CG1 3.63Å; L52-C136 WeakPolarHBondContact CA-SG 3.11Å; L52-F139 HydrophobicContact CD1-CD2 4.31Å; L52-F139 HydrophobicContact CD1-CE2 4.23Å
53L91.5Very high87.5Confident21 Ų2142.8 Ų42.811%0.1122%0.217CC..Hα-helixtrans-58.3-45.6178.2-173.970.2000111.7F49 A50 S55 F56 E57 F72 W80 F81 I84F49-L53 WeakPolarHBondContact O-CB 3.41Å; F49-L53 PolarHBondContact O-N 3.43Å; A50-L53 PolarHBondContact O-N 3.46Å; L53-S55 PolarHBondContact O-N 2.79Å; L53-F56 PolarHBondContact O-N 3.03Å; L53-E57 WeakPolarHBondContact O-CB 3.41Å; L53-E57 PolarHBondContact O-N 2.94Å; L53-F72 HydrophobicContact CD1-CE1 3.76Å; L53-F72 HydrophobicContact CD1-CZ 3.97Å; L53-F72 HydrophobicContact CG-CE1 3.94Å; L53-F72 HydrophobicContact CG-CZ 4.47Å; L53-W80 HydrophobicContact CD1-CB 4.27Å; L53-W80 HydrophobicContact CD1-CD2 4.22Å; L53-W80 HydrophobicContact CD1-CG 4.09Å; L53-W80 HydrophobicContact CD2-CB 3.59Å; L53-W80 HydrophobicContact CD2-CG 4.27Å; L53-F81 HydrophobicContact CD2-CZ 4.44Å; L53-I84 HydrophobicContact CB-CD1 4.22Å; L53-I84 HydrophobicContact CD2-CD1 3.83Å
54L87.9Confident88Confident64 Ų6449.4 Ų49.434%0.33523%0.233SC..Hα-helixtrans-65.3-37.1177.4-72.7169000112.6A50 M51 L52 F56 R58A50-L54 WeakPolarHBondContact O-CB 3.34Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 3.34Å; M51-L54 PolarHBondContact O-N 3.4Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L54 PolarHBondContact O-N 3.32Å; L54-F56 VanDerWaalsContact C-N 3.35Å; L54-R58 WeakPolarHBondContact O-CD 3.17Å; L54-R58 VanDerWaalsContact O-CG 3.28Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 3.25Å; L54-R58 VanDerWaalsContact O-N 3.15Å
55S89.3Confident88.3Confident0 Ų051.5 Ų51.50%025%0.245CC..Hα-helixtrans-66.7-40.4175.573.20000111.2M51 L52 L53 R58 F59M51-S55 WeakPolarHBondContact O-CB 3.28Å; M51-S55 PolarHBondContact O-N 2.87Å; M51-S55 PolarHBondContact O-OG 3.41Å; L52-S55 PolarHBondContact O-N 3.49Å; L52-S55 PolarHBondContact O-OG 2.88Å; L53-S55 PolarHBondContact O-N 2.79Å; S55-R58 PolarHBondContact O-N 3.04Å; S55-F59 WeakPolarHBondContact O-CB 3.49Å; S55-F59 PolarHBondContact O-N 3.25Å; S55-F59 VanDerWaalsContact O-N 3.07Å
56F91.9Very high88.5Confident69 Ų6960 Ų6030%0.30328%0.282SS..Hα-helixtrans-69-41176.9-179.3-121.1000112.5L52 L53 L54 R58 F59 L60 F72 F139L52-F56 WeakPolarHBondContact O-CB 3.36Å; L52-F56 PolarHBondContact O-N 3.34Å; L53-F56 PolarHBondContact O-N 3.03Å; L54-F56 VanDerWaalsContact C-N 3.35Å; F56-R58 PolarHBondContact O-N 3.06Å; F56-F59 HydrophobicContact CD2-CD1 4.16Å; F56-F59 HydrophobicContact CE2-CD1 4.29Å; F56-F59 WeakPolarHBondContact O-CB 3.43Å; F56-F59 PolarHBondContact O-N 3.44Å; F56-L60 HydrophobicContact CD1-CD1 3.93Å; F56-L60 HydrophobicContact CD2-CD1 4.35Å; F56-L60 HydrophobicContact CD2-CG 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.34Å; F56-L60 HydrophobicContact CE1-CG 4.31Å; F56-L60 HydrophobicContact CE2-CD1 3.82Å; F56-L60 HydrophobicContact CE2-CD2 4.46Å; F56-L60 HydrophobicContact CE2-CG 3.93Å; F56-L60 HydrophobicContact CG-CD1 4.41Å; F56-L60 HydrophobicContact CZ-CD1 3.28Å; F56-L60 HydrophobicContact CZ-CD2 4.42Å; F56-L60 HydrophobicContact CZ-CG 3.91Å; F56-L60 PolarHBondContact O-N 3.48Å; F56-F72 HydrophobicContact CD1-CE2 4.22Å; F56-F72 AromaticContact CD1-CZ 3.95Å; F56-F72 HydrophobicContact CD1-CZ 3.95Å; F56-F72 HydrophobicContact CE1-CE2 4.46Å; F56-F139 HydrophobicContact CB-CD2 4.22Å; F56-F139 HydrophobicContact CB-CE2 4.07Å; F56-F139 HydrophobicContact CB-CZ 4.49Å; F56-F139 HydrophobicContact CD2-CD1 4.4Å; F56-F139 AromaticContact CD2-CE1 3.77Å; F56-F139 HydrophobicContact CD2-CE1 3.77Å; F56-F139 AromaticContact CD2-CE2 3.96Å; F56-F139 HydrophobicContact CD2-CE2 3.96Å; F56-F139 AromaticContact CD2-CZ 3.52Å; F56-F139 HydrophobicContact CD2-CZ 3.52Å; F56-F139 HydrophobicContact CE2-CE1 4.34Å; F56-F139 HydrophobicContact CE2-CZ 4.17Å; F56-F139 HydrophobicContact CG-CE2 4.41Å; F56-F139 HydrophobicContact CG-CZ 4.39Å
57E89.8Confident88.7Confident56 Ų5660.7 Ų60.726%0.26229%0.287SS..Hα-helixtrans-54.9-51.6173.1-176.9-175175.100110.7L53 F59 L60 L61 H68 F72L53-E57 WeakPolarHBondContact O-CB 3.41Å; L53-E57 PolarHBondContact O-N 2.94Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 2.98Å; E57-L60 PolarHBondContact O-N 2.98Å; E57-L61 WeakPolarHBondContact O-CB 3.44Å; E57-L61 PolarHBondContact O-N 3.11Å; E57-H68 WeakPolarHBondContact CG-NE2 3.42Å; E57-H68 PolarHBondContact O-CD2 3.49Å; E57-H68 IonicContact OE1-NE2 3.83Å; E57-F72 HydrophobicContact CB-CD1 3.98Å; E57-F72 HydrophobicContact CB-CD2 4.28Å; E57-F72 HydrophobicContact CB-CE1 3.58Å; E57-F72 HydrophobicContact CB-CE2 3.92Å; E57-F72 HydrophobicContact CB-CG 4.3Å; E57-F72 HydrophobicContact CB-CZ 3.55Å; E57-F72 HydrophobicContact CG-CB 4.38Å; E57-F72 HydrophobicContact CG-CD1 3.7Å; E57-F72 HydrophobicContact CG-CD2 3.99Å; E57-F72 HydrophobicContact CG-CE1 3.87Å; E57-F72 HydrophobicContact CG-CE2 4.15Å; E57-F72 HydrophobicContact CG-CG 3.75Å; E57-F72 HydrophobicContact CG-CZ 4.09Å
58R87.4Confident89Confident52 Ų5258.5 Ų58.520%0.19628%0.275CS..Hα-helixtrans-62.4-39.7179.5-71.1168.2-176.2-99.81.7112.4L54 S55 F56 L61 F62 L175L54-R58 WeakPolarHBondContact O-CD 3.17Å; L54-R58 VanDerWaalsContact O-CG 3.28Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 3.25Å; L54-R58 VanDerWaalsContact O-N 3.15Å; S55-R58 PolarHBondContact O-N 3.04Å; F56-R58 PolarHBondContact O-N 3.06Å; R58-L61 WeakPolarHBondContact O-CB 3.26Å; R58-L61 PolarHBondContact O-N 2.89Å; R58-F62 WeakPolarHBondContact O-CD2 3.44Å; R58-F62 PolarHBondContact O-N 3.25Å; R58-L175 VanDerWaalsContact NH2-CD1 3.25Å
59F90.4Very high89.1Confident22 Ų2267.4 Ų67.410%0.09631%0.305CS..Hα-helixtrans-60.8-49.6175166.7-100.2000111.4S55 F56 E57 L61 F62 W63 F139 L142 S143 I146S55-F59 WeakPolarHBondContact O-CB 3.49Å; S55-F59 PolarHBondContact O-N 3.25Å; S55-F59 VanDerWaalsContact O-N 3.07Å; F56-F59 HydrophobicContact CD2-CD1 4.16Å; F56-F59 HydrophobicContact CE2-CD1 4.29Å; F56-F59 WeakPolarHBondContact O-CB 3.43Å; F56-F59 PolarHBondContact O-N 3.44Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 2.98Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.43Å; F59-F62 PolarHBondContact O-N 2.99Å; F59-W63 HydrophobicContact CD2-CE3 4.24Å; F59-W63 HydrophobicContact CE1-CD2 4.44Å; F59-W63 HydrophobicContact CE1-CE3 4.06Å; F59-W63 HydrophobicContact CE2-CD2 4.17Å; F59-W63 AromaticContact CE2-CE3 3.14Å; F59-W63 HydrophobicContact CE2-CE3 3.14Å; F59-W63 AromaticContact CE2-CZ3 3.54Å; F59-W63 HydrophobicContact CE2-CZ3 3.54Å; F59-W63 AromaticContact CZ-CD2 3.77Å; F59-W63 HydrophobicContact CZ-CD2 3.77Å; F59-W63 AromaticContact CZ-CE3 3.02Å; F59-W63 HydrophobicContact CZ-CE3 3.02Å; F59-W63 HydrophobicContact CZ-CG 4.44Å; F59-W63 HydrophobicContact CZ-CH2 4.34Å; F59-W63 AromaticContact CZ-CZ3 3.36Å; F59-W63 HydrophobicContact CZ-CZ3 3.36Å; F59-W63 WeakPolarHBondContact O-CB 3.43Å; F59-W63 PolarHBondContact O-N 3.11Å; F59-F139 HydrophobicContact CB-CB 4.22Å; F59-F139 HydrophobicContact CB-CD1 3.86Å; F59-F139 HydrophobicContact CB-CG 4.33Å; F59-F139 AromaticContact CD1-CD1 3.82Å; F59-F139 HydrophobicContact CD1-CD1 3.82Å; F59-F139 AromaticContact CD1-CE1 3.87Å; F59-F139 HydrophobicContact CD1-CE1 3.87Å; F59-F139 HydrophobicContact CD2-CD1 4.03Å; F59-F139 HydrophobicContact CE1-CD1 4.33Å; F59-F139 HydrophobicContact CE1-CE1 4.08Å; F59-F139 HydrophobicContact CE2-CD1 4.47Å; F59-F139 AromaticContact CG-CD1 3.63Å; F59-F139 HydrophobicContact CG-CD1 3.63Å; F59-F139 HydrophobicContact CG-CE1 4.18Å; F59-L142 HydrophobicContact CD2-CB 3.76Å; F59-L142 HydrophobicContact CD2-CD1 4.3Å; F59-L142 HydrophobicContact CE2-CB 3.78Å; F59-L142 HydrophobicContact CE2-CD1 3.73Å; F59-L142 HydrophobicContact CE2-CG 4.38Å; F59-L142 HydrophobicContact CZ-CD1 4.48Å; F59-S143 WeakPolarHBondContact CA-OG 3.45Å; F59-S143 PolarHBondContact N-OG 3.13Å; F59-S143 VanDerWaalsContact N-OG 3.16Å; F59-I146 HydrophobicContact CD2-CD1 4.29Å; F59-I146 HydrophobicContact CE2-CD1 4.09Å
60L89.9Confident89.2Confident16 Ų1670.5 Ų70.58%0.08432%0.324CS..Hα-helixtrans-64.7-33.4178.1-80.2175.6000113F56 E57 F62 R64 H68 L71 F72F56-L60 HydrophobicContact CD1-CD1 3.93Å; F56-L60 HydrophobicContact CD2-CD1 4.35Å; F56-L60 HydrophobicContact CD2-CG 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.34Å; F56-L60 HydrophobicContact CE1-CG 4.31Å; F56-L60 HydrophobicContact CE2-CD1 3.82Å; F56-L60 HydrophobicContact CE2-CD2 4.46Å; F56-L60 HydrophobicContact CE2-CG 3.93Å; F56-L60 HydrophobicContact CG-CD1 4.41Å; F56-L60 HydrophobicContact CZ-CD1 3.28Å; F56-L60 HydrophobicContact CZ-CD2 4.42Å; F56-L60 HydrophobicContact CZ-CG 3.91Å; F56-L60 PolarHBondContact O-N 3.48Å; E57-L60 PolarHBondContact O-N 2.98Å; L60-F62 VanDerWaalsContact C-N 3.26Å; L60-F62 PolarHBondContact O-N 3.35Å; L60-R64 CarbonylContact O-C 3.52Å; L60-R64 PolarHBondContact O-N 2.92Å; L60-H68 HydrophobicContact CB-CB 4.3Å; L60-L71 HydrophobicContact CD1-CD1 3.74Å; L60-F72 HydrophobicContact CD1-CE2 3.79Å
61L89.6Confident89.2Confident70 Ų7072.5 Ų72.537%0.36633%0.332SS..Hα-helixtrans-57.5-41176.3-177.968.6000111.5E57 R58 F59E57-L61 WeakPolarHBondContact O-CB 3.44Å; E57-L61 PolarHBondContact O-N 3.11Å; R58-L61 WeakPolarHBondContact O-CB 3.26Å; R58-L61 PolarHBondContact O-N 2.89Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.43Å
62F87Confident89.4Confident44 Ų4471.2 Ų71.219%0.19333%0.325CS..Hα-helixtrans-89.5-35.1-179.5-61.5-61.5000113.2R58 F59 L60 I146 H147 L172R58-F62 WeakPolarHBondContact O-CD2 3.44Å; R58-F62 PolarHBondContact O-N 3.25Å; F59-F62 PolarHBondContact O-N 2.99Å; L60-F62 VanDerWaalsContact C-N 3.26Å; L60-F62 PolarHBondContact O-N 3.35Å; F62-I146 HydrophobicContact CB-CB 4.31Å; F62-I146 HydrophobicContact CB-CG2 3.79Å; F62-H147 HydrophobicContact CD1-CB 4.34Å; F62-H147 AromaticContact CD1-CD2 3.89Å; F62-H147 HydrophobicContact CE1-CB 4.42Å; F62-H147 AromaticContact CE1-CD2 3.39Å; F62-H147 WeakPolarHBondContact CE1-CD2 3.45Å; F62-H147 HydrophobicContact CG-CB 4.45Å; F62-H147 AromaticContact CZ-CD2 3.88Å; F62-L172 HydrophobicContact CE2-CD1 3.88Å; F62-L172 HydrophobicContact CE2-CD2 4.15Å; F62-L172 HydrophobicContact CZ-CD1 4.06Å
63W88.2Confident89.4Confident142 Ų14270.9 Ų70.954%0.53833%0.326SS..Hα-helixtrans-74.1-58.6-179.8-170.3-44.5000111.7F59 I146F59-W63 HydrophobicContact CD2-CE3 4.24Å; F59-W63 HydrophobicContact CE1-CD2 4.44Å; F59-W63 HydrophobicContact CE1-CE3 4.06Å; F59-W63 HydrophobicContact CE2-CD2 4.17Å; F59-W63 AromaticContact CE2-CE3 3.14Å; F59-W63 HydrophobicContact CE2-CE3 3.14Å; F59-W63 AromaticContact CE2-CZ3 3.54Å; F59-W63 HydrophobicContact CE2-CZ3 3.54Å; F59-W63 AromaticContact CZ-CD2 3.77Å; F59-W63 HydrophobicContact CZ-CD2 3.77Å; F59-W63 AromaticContact CZ-CE3 3.02Å; F59-W63 HydrophobicContact CZ-CE3 3.02Å; F59-W63 HydrophobicContact CZ-CG 4.44Å; F59-W63 HydrophobicContact CZ-CH2 4.34Å; F59-W63 AromaticContact CZ-CZ3 3.36Å; F59-W63 HydrophobicContact CZ-CZ3 3.36Å; F59-W63 WeakPolarHBondContact O-CB 3.43Å; F59-W63 PolarHBondContact O-N 3.11Å; W63-I146 HydrophobicContact CB-CD1 4.13Å; W63-I146 HydrophobicContact CD2-CD1 4.23Å; W63-I146 HydrophobicContact CE3-CD1 3.51Å; W63-I146 HydrophobicContact CG-CD1 4.48Å; W63-I146 HydrophobicContact CZ3-CD1 4.31Å
64R90Very high89.2Confident168 Ų16875 Ų7563%0.63435%0.354SS*.  trans-136.886.7-176-73.1-123.3-178.2-162.32.3111.4L60 K66 C67 H68L60-R64 CarbonylContact O-C 3.52Å; L60-R64 PolarHBondContact O-N 2.92Å; R64-K66 PolarHBondContact O-N 3.23Å; R64-K66 VanDerWaalsContact O-N 3.1Å; R64-C67 HydrophobicContact CB-CB 3.93Å; R64-C67 WeakPolarHBondContact O-CB 3.46Å; R64-C67 PolarHBondContact O-N 2.91Å; R64-H68 PolarHBondContact O-N 3.28Å
65P87.9Confident89.3Confident71 Ų7176.9 Ų76.946%0.46137%0.368SS..Hα-helixtrans-55-33.2179.5-26.132.2000114.6R69P65-R69 WeakPolarHBondContact O-CG 3.48Å; P65-R69 PolarHBondContact O-N 2.81Å; P65-R69 VanDerWaalsContact O-N 3.11Å
66K90.2Very high89.4Confident183 Ų18378.9 Ų78.980%0.79638%0.381SS*.Hα-helixtrans-63.9-43176.5-66.6-173.9-179.9-177.60112R64R64-K66 PolarHBondContact O-N 3.23Å; R64-K66 VanDerWaalsContact O-N 3.1Å
67C88.3Confident89.2Confident48 Ų4876.7 Ų76.732%0.32437%0.374SS..Hα-helixtrans-70.4-41.2178.1-174.10000111.1R64 R69 I70 L71R64-C67 HydrophobicContact CB-CB 3.93Å; R64-C67 WeakPolarHBondContact O-CB 3.46Å; R64-C67 PolarHBondContact O-N 2.91Å; C67-R69 VanDerWaalsContact C-N 3.33Å; C67-R69 PolarHBondContact O-N 3.47Å; C67-I70 PolarHBondContact O-N 3.39Å; C67-I70 VanDerWaalsContact O-N 3.11Å; C67-L71 PolarHBondContact O-N 3.27Å; C67-L71 WeakPolarHBondContact SG-CD1 3.49Å
68H90.3Very high89.2Confident26 Ų2678.1 Ų78.112%0.1239%0.387CS..Hα-helixtrans-53.2-47.5173.8174.7-76000112.4E57 L60 R64 I70 L71 F72E57-H68 WeakPolarHBondContact CG-NE2 3.42Å; E57-H68 PolarHBondContact O-CD2 3.49Å; E57-H68 IonicContact OE1-NE2 3.83Å; L60-H68 HydrophobicContact CB-CB 4.3Å; R64-H68 PolarHBondContact O-N 3.28Å; H68-I70 PolarHBondContact O-N 3.07Å; H68-L71 PolarHBondContact O-N 3.16Å; H68-F72 WeakPolarHBondContact O-CB 3.36Å; H68-F72 PolarHBondContact O-N 3.36Å
69R89.1Confident89.5Confident198 Ų19881 Ų8175%0.74741%0.406SS*.Hα-helixtrans-60-31.9180-75.4179.2-179-175.4-0.1113.5P65 C67P65-R69 WeakPolarHBondContact O-CG 3.48Å; P65-R69 PolarHBondContact O-N 2.81Å; P65-R69 VanDerWaalsContact O-N 3.11Å; C67-R69 VanDerWaalsContact C-N 3.33Å; C67-R69 PolarHBondContact O-N 3.47Å
70I90.1Very high89.5Confident127 Ų12784.7 Ų84.765%0.65142%0.419SS*.Hα-helixtrans-79.5-51.4-179.9-61.1167.8000109.7C67 H68C67-I70 PolarHBondContact O-N 3.39Å; C67-I70 VanDerWaalsContact O-N 3.11Å; H68-I70 PolarHBondContact O-N 3.07Å
71L89.1Confident89.5Confident59 Ų5988.6 Ų88.631%0.30944%0.436SS..Hα-helixtrans-72.6-31.5-174.6-72.5172.1000114L60 C67 H68 C76 W80L60-L71 HydrophobicContact CD1-CD1 3.74Å; C67-L71 PolarHBondContact O-N 3.27Å; C67-L71 WeakPolarHBondContact SG-CD1 3.49Å; H68-L71 PolarHBondContact O-N 3.16Å; L71-C76 WeakPolarHBondContact O-CB 3.23Å; L71-W80 PolarHBondContact O-NE1 2.86Å
72F90.5Very high89.6Confident19 Ų1990.4 Ų90.48%0.08344%0.444CS..THydrogen-bonded Turntrans-114.736.8-177.1-66.9-83000112.1L53 F56 E57 L60 H68L53-F72 HydrophobicContact CD1-CE1 3.76Å; L53-F72 HydrophobicContact CD1-CZ 3.97Å; L53-F72 HydrophobicContact CG-CE1 3.94Å; L53-F72 HydrophobicContact CG-CZ 4.47Å; F56-F72 HydrophobicContact CD1-CE2 4.22Å; F56-F72 AromaticContact CD1-CZ 3.95Å; F56-F72 HydrophobicContact CD1-CZ 3.95Å; F56-F72 HydrophobicContact CE1-CE2 4.46Å; E57-F72 HydrophobicContact CB-CD1 3.98Å; E57-F72 HydrophobicContact CB-CD2 4.28Å; E57-F72 HydrophobicContact CB-CE1 3.58Å; E57-F72 HydrophobicContact CB-CE2 3.92Å; E57-F72 HydrophobicContact CB-CG 4.3Å; E57-F72 HydrophobicContact CB-CZ 3.55Å; E57-F72 HydrophobicContact CG-CB 4.38Å; E57-F72 HydrophobicContact CG-CD1 3.7Å; E57-F72 HydrophobicContact CG-CD2 3.99Å; E57-F72 HydrophobicContact CG-CE1 3.87Å; E57-F72 HydrophobicContact CG-CE2 4.15Å; E57-F72 HydrophobicContact CG-CG 3.75Å; E57-F72 HydrophobicContact CG-CZ 4.09Å; L60-F72 HydrophobicContact CD1-CE2 3.79Å; H68-F72 WeakPolarHBondContact O-CB 3.36Å; H68-F72 PolarHBondContact O-N 3.36Å
73S89.1Confident89.9Confident34 Ų3492.1 Ų92.124%0.23846%0.455CS..SBendtrans-62.6154.2163.777.70000109.9V75 C76 S77S73-V75 PolarHBondContact O-N 2.93Å; S73-V75 VanDerWaalsContact O-N 3.11Å; S73-C76 PolarHBondContact O-N 2.91Å; S73-C76 WeakPolarHBondContact OG-CB 3.4Å; S73-C76 PolarHBondContact OG-N 3.25Å; S73-C76 PolarHBondContact OG-SG 2.87Å; S73-S77 WeakPolarHBondContact O-CB 3.47Å; S73-S77 PolarHBondContact O-N 2.69Å; S73-S77 PolarHBondContact O-OG 3.15Å
74P87.5Confident90.1Very high108 Ų10886 Ų8670%0.70143%0.432SS*.Hα-helixtrans-52.4-37.4179.8-27.934.8000113.8T78P74-T78 WeakPolarHBondContact O-CB 3.48Å; P74-T78 PolarHBondContact O-N 3.42Å; P74-T78 VanDerWaalsContact O-N 3.13Å; P74-T78 PolarHBondContact O-OG1 3.31Å
75V90.4Very high90.1Very high103 Ų10383.3 Ų83.362%0.62443%0.425SS*.Hα-helixtrans-68.4-50.8177-179.40000110.5S73 S77 T78 L79S73-V75 PolarHBondContact O-N 2.93Å; S73-V75 VanDerWaalsContact O-N 3.11Å; V75-S77 PolarHBondContact O-N 3.14Å; V75-T78 PolarHBondContact O-N 3.44Å; V75-L79 HydrophobicContact CG1-CD1 4.4Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 3.31Å
76C90.8Very high90.4Very high41 Ų4185.1 Ų85.128%0.27743%0.43SS..Hα-helixtrans-63-42.5179.5-64.70000112.1L71 S73 T78 L79 W80L71-C76 WeakPolarHBondContact O-CB 3.23Å; S73-C76 PolarHBondContact O-N 2.91Å; S73-C76 WeakPolarHBondContact OG-CB 3.4Å; S73-C76 PolarHBondContact OG-N 3.25Å; S73-C76 PolarHBondContact OG-SG 2.87Å; C76-T78 VanDerWaalsContact C-N 3.31Å; C76-T78 PolarHBondContact O-N 2.85Å; C76-L79 WeakPolarHBondContact O-CB 3.25Å; C76-L79 PolarHBondContact O-N 3.39Å; C76-L79 VanDerWaalsContact O-N 3.15Å; C76-W80 PolarHBondContact O-N 3.11Å
77S88.2Confident90.5Very high23 Ų2380 Ų8016%0.16141%0.412CS..Hα-helixtrans-59.3-42.4175.9-64.30000111.5S73 V75 W80 F81S73-S77 WeakPolarHBondContact O-CB 3.47Å; S73-S77 PolarHBondContact O-N 2.69Å; S73-S77 PolarHBondContact O-OG 3.15Å; V75-S77 PolarHBondContact O-N 3.14Å; S77-W80 PolarHBondContact O-N 3.42Å; S77-F81 WeakPolarHBondContact O-CD2 3.28Å; S77-F81 PolarHBondContact O-N 3.49Å
78T88.7Confident90.6Very high87 Ų8777.8 Ų77.853%0.53440%0.396SS..Hα-helixtrans-61.7-44.8174.6-54.90000111.1P74 V75 C76 W80 F81 M82P74-T78 WeakPolarHBondContact O-CB 3.48Å; P74-T78 PolarHBondContact O-N 3.42Å; P74-T78 VanDerWaalsContact O-N 3.13Å; P74-T78 PolarHBondContact O-OG1 3.31Å; V75-T78 PolarHBondContact O-N 3.44Å; C76-T78 VanDerWaalsContact C-N 3.31Å; C76-T78 PolarHBondContact O-N 2.85Å; T78-W80 VanDerWaalsContact C-N 3.33Å; T78-W80 PolarHBondContact O-N 3.34Å; T78-F81 PolarHBondContact O-N 2.8Å; T78-M82 HydrophobicContact CG2-CG 4.48Å; T78-M82 VanDerWaalsContact O-CG 3.32Å; T78-M82 WeakPolarHBondContact O-CG 3.33Å; T78-M82 PolarHBondContact O-N 2.84Å
79L93.3Very high90.7Very high113 Ų11378.6 Ų78.659%0.59241%0.405SS*.Hα-helixtrans-60.7-40.5175.4-68.8172.5000112.3V75 C76 M82 L83V75-L79 HydrophobicContact CG1-CD1 4.4Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 3.31Å; C76-L79 WeakPolarHBondContact O-CB 3.25Å; C76-L79 PolarHBondContact O-N 3.39Å; C76-L79 VanDerWaalsContact O-N 3.15Å; L79-M82 PolarHBondContact O-N 3.43Å; L79-L83 WeakPolarHBondContact O-CB 3.4Å; L79-L83 PolarHBondContact O-N 3.48Å
80W91.7Very high90.9Very high98 Ų9873.4 Ų73.437%0.37139%0.391SS..Hα-helixtrans-60.9-45.5174.9-74119.8000111.9L53 L71 C76 S77 T78 L83 I84L53-W80 HydrophobicContact CD1-CB 4.27Å; L53-W80 HydrophobicContact CD1-CD2 4.22Å; L53-W80 HydrophobicContact CD1-CG 4.09Å; L53-W80 HydrophobicContact CD2-CB 3.59Å; L53-W80 HydrophobicContact CD2-CG 4.27Å; L71-W80 PolarHBondContact O-NE1 2.86Å; C76-W80 PolarHBondContact O-N 3.11Å; S77-W80 PolarHBondContact O-N 3.42Å; T78-W80 VanDerWaalsContact C-N 3.33Å; T78-W80 PolarHBondContact O-N 3.34Å; W80-L83 HydrophobicContact CE3-CD2 4.05Å; W80-L83 HydrophobicContact CZ3-CD2 3.98Å; W80-L83 PolarHBondContact O-N 3.35Å; W80-I84 WeakPolarHBondContact O-CB 3.3Å; W80-I84 VanDerWaalsContact O-CG1 3.22Å; W80-I84 WeakPolarHBondContact O-CG1 2.98Å; W80-I84 PolarHBondContact O-N 3.21Å
81F89.4Confident90.9Very high99 Ų9968.2 Ų68.243%0.43436%0.364SS..Hα-helixtrans-65.4-39.2176.6-77.3-67.1000112.6A50 L53 S77 T78 I84 F85A50-F81 HydrophobicContact CB-CE1 4.06Å; L53-F81 HydrophobicContact CD2-CZ 4.44Å; S77-F81 WeakPolarHBondContact O-CD2 3.28Å; S77-F81 PolarHBondContact O-N 3.49Å; T78-F81 PolarHBondContact O-N 2.8Å; F81-I84 PolarHBondContact O-N 2.91Å; F81-F85 PolarHBondContact O-N 3.21Å
82M92.1Very high90.9Very high107 Ų10766.4 Ų66.453%0.52736%0.355SS..Hα-helixtrans-63.3-42.7174.4-69.5-56.5-65.900111.5T78 L79 F85 L86T78-M82 HydrophobicContact CG2-CG 4.48Å; T78-M82 VanDerWaalsContact O-CG 3.32Å; T78-M82 WeakPolarHBondContact O-CG 3.33Å; T78-M82 PolarHBondContact O-N 2.84Å; L79-M82 PolarHBondContact O-N 3.43Å; M82-F85 PolarHBondContact O-N 2.9Å; M82-L86 WeakPolarHBondContact O-CB 3.28Å; M82-L86 PolarHBondContact O-N 3.04Å
83L93.9Very high90.9Very high81 Ų8170.7 Ų70.742%0.42438%0.379SS..Hα-helixtrans-62.4-43.4175.8-178.266.6000111.5L79 W80 F85 L86 L87L79-L83 WeakPolarHBondContact O-CB 3.4Å; L79-L83 PolarHBondContact O-N 3.48Å; W80-L83 HydrophobicContact CE3-CD2 4.05Å; W80-L83 HydrophobicContact CZ3-CD2 3.98Å; W80-L83 PolarHBondContact O-N 3.35Å; L83-F85 VanDerWaalsContact C-N 3.31Å; L83-F85 PolarHBondContact O-N 3.46Å; L83-L86 PolarHBondContact O-N 2.85Å; L83-L87 HydrophobicContact CD1-CD1 4.41Å; L83-L87 HydrophobicContact CD1-CG 4.37Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 HydrophobicContact CG-CG 4.42Å; L83-L87 WeakPolarHBondContact O-CB 3.46Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.81Å
84I92.4Very high91Very high14 Ų1473.2 Ų73.27%0.07239%0.389CS..Hα-helixtrans-58.6-45.8175.5-73.3170.6000110.7F49 L53 W80 F81 S88F49-I84 HydrophobicContact CB-CB 4.32Å; F49-I84 HydrophobicContact CB-CD1 3.97Å; F49-I84 HydrophobicContact CB-CG1 3.8Å; F49-I84 HydrophobicContact CB-CG2 3.65Å; F49-I84 HydrophobicContact CD2-CG2 4.42Å; F49-I84 HydrophobicContact CG-CG2 4.45Å; L53-I84 HydrophobicContact CB-CD1 4.22Å; L53-I84 HydrophobicContact CD2-CD1 3.83Å; W80-I84 WeakPolarHBondContact O-CB 3.3Å; W80-I84 VanDerWaalsContact O-CG1 3.22Å; W80-I84 WeakPolarHBondContact O-CG1 2.98Å; W80-I84 PolarHBondContact O-N 3.21Å; F81-I84 PolarHBondContact O-N 2.91Å; I84-S88 WeakPolarHBondContact O-CB 3.33Å; I84-S88 PolarHBondContact O-N 3.41Å; I84-S88 PolarHBondContact O-OG 3.42Å
85F89.2Confident91.1Very high110 Ų11068.3 Ų68.348%0.48236%0.357SS..Hα-helixtrans-63.1-45.8177.6-174.9-102000111.4V42 F81 M82 L83 L87 S88 C89V42-F85 HydrophobicContact CG1-CD2 4.17Å; V42-F85 HydrophobicContact CG1-CE2 3.88Å; F81-F85 PolarHBondContact O-N 3.21Å; M82-F85 PolarHBondContact O-N 2.9Å; L83-F85 VanDerWaalsContact C-N 3.31Å; L83-F85 PolarHBondContact O-N 3.46Å; F85-L87 PolarHBondContact O-N 3.13Å; F85-S88 WeakPolarHBondContact O-CB 3.11Å; F85-S88 PolarHBondContact O-N 3.12Å; F85-C89 PolarHBondContact O-N 3.42Å; F85-C89 PolarHBondContact O-SG 3.12Å; F85-C89 VanDerWaalsContact O-SG 3.36Å
86L93.4Very high91Very high109 Ų10967.5 Ų67.557%0.57134%0.343SS*.Hα-helixtrans-59.6-46.5177-116.2152.1000112.5M82 L83 S88 C89 L90M82-L86 WeakPolarHBondContact O-CB 3.28Å; M82-L86 PolarHBondContact O-N 3.04Å; L83-L86 PolarHBondContact O-N 2.85Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 3.37Å; L86-C89 PolarHBondContact O-N 3.27Å; L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 PolarHBondContact O-N 2.89Å
87L93.6Very high91Very high77 Ų7770.6 Ų70.640%0.40336%0.36SS..Hα-helixtrans-62.4-37.6176.2-73.3171.8000111.8L83 F85 L90 E91L83-L87 HydrophobicContact CD1-CD1 4.41Å; L83-L87 HydrophobicContact CD1-CG 4.37Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 HydrophobicContact CG-CG 4.42Å; L83-L87 WeakPolarHBondContact O-CB 3.46Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.81Å; F85-L87 PolarHBondContact O-N 3.13Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-E91 WeakPolarHBondContact O-CB 3.25Å; L87-E91 PolarHBondContact O-N 2.93Å
88S91Very high91Very high0 Ų071.3 Ų71.30%037%0.371CS..Hα-helixtrans-68.9-36.6176.8-54.30000111.7S46 I84 F85 L86 E91 V92S46-S88 WeakPolarHBondContact CA-OG 3.41Å; S46-S88 PolarHBondContact N-OG 2.72Å; I84-S88 WeakPolarHBondContact O-CB 3.33Å; I84-S88 PolarHBondContact O-N 3.41Å; I84-S88 PolarHBondContact O-OG 3.42Å; F85-S88 WeakPolarHBondContact O-CB 3.11Å; F85-S88 PolarHBondContact O-N 3.12Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 3.37Å; S88-E91 WeakPolarHBondContact O-CB 3.49Å; S88-V92 PolarHBondContact O-N 3.32Å
89C90.7Very high90.9Very high44 Ų4467.1 Ų67.130%0.29735%0.346SS..Hα-helixtrans-70.9-39.4173.4-68.50000112.3F85 L86 E91 V92 L93F85-C89 PolarHBondContact O-N 3.42Å; F85-C89 PolarHBondContact O-SG 3.12Å; F85-C89 VanDerWaalsContact O-SG 3.36Å; L86-C89 PolarHBondContact O-N 3.27Å; C89-E91 PolarHBondContact O-N 3.42Å; C89-V92 WeakPolarHBondContact O-CB 3.11Å; C89-V92 PolarHBondContact O-N 2.7Å; C89-L93 PolarHBondContact O-N 3.1Å
90L93.2Very high90.6Very high89 Ų8965.6 Ų65.647%0.46634%0.338SS..Hα-helixtrans-60.7-37.1175.3-169.5103.5000111.2L86 L87 V92 L93 I94L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 PolarHBondContact O-N 2.89Å; L87-L90 PolarHBondContact O-N 3.42Å; L90-V92 PolarHBondContact O-N 2.82Å; L90-L93 WeakPolarHBondContact O-CB 3.24Å; L90-L93 PolarHBondContact O-N 3.5Å; L90-I94 HydrophobicContact CD2-CD1 3.74Å; L90-I94 HydrophobicContact CG-CD1 4.17Å; L90-I94 WeakPolarHBondContact O-CG1 3.34Å; L90-I94 PolarHBondContact O-N 2.85Å
91E90.8Very high90.4Very high17 Ų1764 Ų648%0.07935%0.353CS..Hα-helixtrans-59.8-44.1175.8-177.7-88.9165.700112.2M41 D45 L87 S88 C89 L93 I94 V95 R113 Y121M41-E91 VanDerWaalsContact CE-OE1 3.24Å; M41-E91 WeakPolarHBondContact CE-OE1 3.43Å; M41-E91 VanDerWaalsContact CE-OE2 3.25Å; M41-E91 WeakPolarHBondContact CE-OE2 3.19Å; D45-E91 WeakPolarHBondContact OD2-CG 3.38Å; L87-E91 WeakPolarHBondContact O-CB 3.25Å; L87-E91 PolarHBondContact O-N 2.93Å; S88-E91 WeakPolarHBondContact O-CB 3.49Å; C89-E91 PolarHBondContact O-N 3.42Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 3.39Å; E91-I94 PolarHBondContact O-N 3.24Å; E91-V95 WeakPolarHBondContact O-CG2 3.21Å; E91-V95 PolarHBondContact O-N 3.31Å; E91-R113 IonicContact OE1-CZ 3.04Å; E91-R113 IonicContact OE1-NH1 2.77Å; E91-R113 PolarHBondContact OE1-NH1 3.44Å; E91-R113 IonicContact OE1-NH2 2.58Å; E91-R113 PolarHBondContact OE1-NH2 3.2Å; E91-Y121 WeakPolarHBondContact CG-OH 3.37Å; E91-Y121 PolarHBondContact OE1-OH 3.48Å
92V89.4Confident90.1Very high21 Ų2162 Ų6213%0.12734%0.342CS..Hα-helixtrans-58.9-43.4173.7176.40000111.4I31 P38 M41 V42 S88 C89 L90 V95 Y96I31-V92 HydrophobicContact CG2-CG1 4.46Å; P38-V92 HydrophobicContact CB-CG1 3.77Å; P38-V92 HydrophobicContact CB-CG2 4.23Å; M41-V92 HydrophobicContact CB-CG2 4.07Å; M41-V92 HydrophobicContact CE-CG2 4.18Å; V42-V92 HydrophobicContact CG2-CG2 3.59Å; S88-V92 PolarHBondContact O-N 3.32Å; C89-V92 WeakPolarHBondContact O-CB 3.11Å; C89-V92 PolarHBondContact O-N 2.7Å; L90-V92 PolarHBondContact O-N 2.82Å; V92-V95 PolarHBondContact O-N 3.48Å; V92-Y96 WeakPolarHBondContact O-CB 3.16Å; V92-Y96 PolarHBondContact O-N 3.35Å
93L90.3Very high89.5Confident110 Ų11059 Ų5958%0.57633%0.328SS*.Hα-helixtrans-63-44.7177.8-68.4172.2000111.8C89 L90 E91 V95 Y96 V97C89-L93 PolarHBondContact O-N 3.1Å; L90-L93 WeakPolarHBondContact O-CB 3.24Å; L90-L93 PolarHBondContact O-N 3.5Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 3.39Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.28Å; L93-Y96 PolarHBondContact O-N 3.45Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 3.15Å
94I90.7Very high88.9Confident87 Ų8762.2 Ų62.245%0.44635%0.346SS..Hα-helixtrans-60.4-45.4177.5-69.6165.9000110.5L90 E91 Y96 G98 Y121L90-I94 HydrophobicContact CD2-CD1 3.74Å; L90-I94 HydrophobicContact CG-CD1 4.17Å; L90-I94 WeakPolarHBondContact O-CG1 3.34Å; L90-I94 PolarHBondContact O-N 2.85Å; E91-I94 PolarHBondContact O-N 3.24Å; I94-Y96 VanDerWaalsContact C-N 3.34Å; I94-G98 PolarHBondContact O-N 2.91Å; I94-Y121 HydrophobicContact CG2-CE2 4.13Å
95V89.8Confident88.6Confident5 Ų567.5 Ų67.53%0.0337%0.368CS..Hα-helixtrans-65.6-39.6178.5173.10000111I31 M41 E91 V92 L93 G98 A99 Y116 Y121I31-V95 HydrophobicContact CD1-CG1 3.82Å; M41-V95 HydrophobicContact CE-CB 3.81Å; M41-V95 HydrophobicContact CE-CG1 3.87Å; M41-V95 HydrophobicContact CE-CG2 3.75Å; E91-V95 WeakPolarHBondContact O-CG2 3.21Å; E91-V95 PolarHBondContact O-N 3.31Å; V92-V95 PolarHBondContact O-N 3.48Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.28Å; V95-G98 PolarHBondContact O-N 2.91Å; V95-A99 VanDerWaalsContact O-CB 3.28Å; V95-A99 WeakPolarHBondContact O-CB 3.25Å; V95-A99 PolarHBondContact O-N 3.44Å; V95-Y116 HydrophobicContact CG1-CD2 3.67Å; V95-Y116 HydrophobicContact CG1-CE2 3.53Å; V95-Y121 HydrophobicContact CG2-CD1 4.46Å; V95-Y121 HydrophobicContact CG2-CE1 3.51Å; V95-Y121 WeakPolarHBondContact CG2-OH 3.29Å
96Y89.4Confident88.4Confident86 Ų8668 Ų6834%0.33738%0.376SS..Hα-helixtrans-62.5-48.4176.9177.5-105000112.1I31 T32 V92 L93 I94 G98 A99 N100I31-Y96 HydrophobicContact CB-CD2 4.32Å; I31-Y96 HydrophobicContact CG2-CD2 4.19Å; T32-Y96 HydrophobicContact CG2-CD2 4.18Å; T32-Y96 HydrophobicContact CG2-CE2 3.44Å; T32-Y96 VanDerWaalsContact CG2-CE2 3.44Å; V92-Y96 WeakPolarHBondContact O-CB 3.16Å; V92-Y96 PolarHBondContact O-N 3.35Å; L93-Y96 PolarHBondContact O-N 3.45Å; I94-Y96 VanDerWaalsContact C-N 3.34Å; Y96-G98 VanDerWaalsContact C-N 3.3Å; Y96-G98 PolarHBondContact O-N 3.42Å; Y96-A99 PolarHBondContact O-N 2.83Å; Y96-A99 VanDerWaalsContact O-N 3.15Å; Y96-N100 PolarHBondContact O-N 2.84Å
97V90Very high87.9Confident105 Ų10563.4 Ų63.464%0.63635%0.352SS*.Hα-helixtrans-59.3-43.8175.5173.40000110.5L93 A99 N100 G101L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 3.15Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 3.29Å; V97-N100 PolarHBondContact O-N 3.15Å; V97-G101 PolarHBondContact O-N 3.02Å
98G87.9Confident87.3Confident38 Ų3861.6 Ų61.639%0.39235%0.345SS..Hα-helixtrans-65.1-32.6176.400000114.2I94 V95 Y96 R102I94-G98 PolarHBondContact O-N 2.91Å; V95-G98 PolarHBondContact O-N 2.91Å; Y96-G98 VanDerWaalsContact C-N 3.3Å; Y96-G98 PolarHBondContact O-N 3.42Å; G98-R102 WeakPolarHBondContact O-CD 3.43Å
99A87.3Confident86.4Confident0 Ų062.1 Ų62.10%035%0.349CS..Hα-helixtrans-74.9-34.917600000112P27 I31 V95 Y96 V97 G101 R102P27-A99 HydrophobicContact CB-CB 3.89Å; I31-A99 HydrophobicContact CD1-CB 3.63Å; V95-A99 VanDerWaalsContact O-CB 3.28Å; V95-A99 WeakPolarHBondContact O-CB 3.25Å; V95-A99 PolarHBondContact O-N 3.44Å; Y96-A99 PolarHBondContact O-N 2.83Å; Y96-A99 VanDerWaalsContact O-N 3.15Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 3.29Å; A99-G101 VanDerWaalsContact C-N 3.29Å; A99-G101 PolarHBondContact O-N 2.84Å; A99-R102 WeakPolarHBondContact O-CB 3.4Å; A99-R102 PolarHBondContact O-N 3.36Å
100N87Confident85.5Confident80 Ų8061.8 Ų61.843%0.42834%0.343SS..Hα-helixtrans-65.2-33.2177.2-160.737000112.1Y96 V97 R102 N103Y96-N100 PolarHBondContact O-N 2.84Å; V97-N100 PolarHBondContact O-N 3.15Å; N100-R102 PolarHBondContact O-N 3.18Å; N100-N103 PolarHBondContact O-ND2 3.05Å; N100-N103 PolarHBondContact OD1-ND2 3.49Å
101G86.1Confident84.8Confident66 Ų6657.5 Ų57.568%0.6832%0.321SS*.THydrogen-bonded Turntrans-69.26.3170.700000115.1V97 A99V97-G101 PolarHBondContact O-N 3.02Å; A99-G101 VanDerWaalsContact C-N 3.29Å; A99-G101 PolarHBondContact O-N 2.84Å
102R83.6Confident84.2Confident55 Ų5561.5 Ų61.521%0.20834%0.336CS..THydrogen-bonded Turntrans-134.225.3-175.8-60.8166.5170.6-120.1-22.9112.6P27 G98 A99 N100 D104 K105 S117 S118P27-R102 HydrophobicContact CG-CB 4.45Å; G98-R102 WeakPolarHBondContact O-CD 3.43Å; A99-R102 WeakPolarHBondContact O-CB 3.4Å; A99-R102 PolarHBondContact O-N 3.36Å; N100-R102 PolarHBondContact O-N 3.18Å; R102-D104 PolarHBondContact O-N 3.41Å; R102-K105 PolarHBondContact O-N 3.25Å; R102-S117 VanDerWaalsContact NH1-C 3.34Å; R102-S117 PolarHBondContact NH1-O 2.92Å; R102-S118 VanDerWaalsContact CZ-CB 3.46Å; R102-S118 VanDerWaalsContact NH1-CA 3.28Å
103N79.3Confident83.8Confident45 Ų4562 Ų6224%0.24134%0.336CS..THydrogen-bonded Turntrans-60.7-19.3-175.3-76-25000113.7S28 N100 K105S28-N103 WeakPolarHBondContact CB-OD1 3.17Å; S28-N103 PolarHBondContact OG-OD1 2.93Å; N100-N103 PolarHBondContact O-ND2 3.05Å; N100-N103 PolarHBondContact OD1-ND2 3.49Å; N103-K105 VanDerWaalsContact C-N 3.29Å; N103-K105 PolarHBondContact O-N 3.49Å
104D83.1Confident83.4Confident149 Ų14962.4 Ų62.480%0.79733%0.333SS*.THydrogen-bonded Turntrans-75.7-12.9177.84.3-56.1000113.2R102R102-D104 PolarHBondContact O-N 3.41Å
105K84.4Confident83Confident124 Ų12460.8 Ų60.854%0.53932%0.323SS..  trans-94.2136.5175.9-66.1-173.7179.2-176.60110.8P27 R102 N103P27-K105 WeakPolarHBondContact CD-O 3.42Å; R102-K105 PolarHBondContact O-N 3.25Å; N103-K105 VanDerWaalsContact C-N 3.29Å; N103-K105 PolarHBondContact O-N 3.49Å
106L85Confident82.7Confident121 Ų12160.9 Ų60.963%0.63432%0.323SS*.  trans-96.8132.7168.4-69176.6000109.5C24 R26C24-L106 HydrophobicContact CB-CB 4.12Å; C24-L106 HydrophobicContact CB-CD1 4.44Å; R26-L106 HydrophobicContact CG-CD2 4.37Å
107I83.9Confident82.5Confident13 Ų1357.1 Ų57.17%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-121.6164.8179.663.3165000110.3C24 I25 P27 C30 E115C24-I107 CarbonylContact C-O 3.44Å; C24-I107 VanDerWaalsContact CA-O 3.28Å; C24-I107 WeakPolarHBondContact CA-O 3.24Å; I25-I107 HydrophobicContact CG1-CG1 4.22Å; I25-I107 PolarHBondContact N-O 3.23Å; I25-I107 VanDerWaalsContact O-CG1 3.27Å; I25-I107 WeakPolarHBondContact O-CG1 3.34Å; I25-I107 PolarHBondContact O-N 2.88Å; P27-I107 HydrophobicContact CB-CD1 4.34Å; P27-I107 HydrophobicContact CG-CD1 4.3Å; P27-I107 HydrophobicContact CG-CG1 4.37Å; P27-I107 HydrophobicContact CG-CG2 3.99Å; C30-I107 HydrophobicContact CB-CD1 3.91Å; I107-E115 HydrophobicContact CB-CB 3.96Å; I107-E115 HydrophobicContact CD1-CB 4.5Å; I107-E115 HydrophobicContact CG2-CB 3.78Å
108S80Confident82.3Confident39 Ų3953.4 Ų53.427%0.27329%0.288SS..EExtended strand (participates in β ladder)trans-63.2141.8175.4179.90000111M110 C111 E115S108-M110 PolarHBondContact O-N 3.22Å; S108-M110 WeakPolarHBondContact OG-CG 3.46Å; S108-M110 PolarHBondContact OG-N 3Å; S108-C111 PolarHBondContact O-N 3.2Å; S108-E115 WeakPolarHBondContact CB-OE2 3.25Å; S108-E115 PolarHBondContact N-OE2 3.21Å
109S73.4Confident82.1Confident10 Ų1055.7 Ų55.77%0.0730%0.296CS..THydrogen-bonded Turntrans-54.7-15169.255.70000114.1H23 C111H23-S109 WeakPolarHBondContact O-CB 3.44Å; H23-S109 PolarHBondContact O-N 3.41Å; H23-S109 PolarHBondContact O-OG 2.96Å; S109-C111 PolarHBondContact O-N 3.25Å
110M70.5Confident82.1Confident37 Ų3759.8 Ų59.818%0.18232%0.324CS..THydrogen-bonded Turntrans-70.4-11.2174.3-62.9-63.1150.700113.8S108 Y112S108-M110 PolarHBondContact O-N 3.22Å; S108-M110 WeakPolarHBondContact OG-CG 3.46Å; S108-M110 PolarHBondContact OG-N 3Å; M110-Y112 VanDerWaalsContact C-N 3.35Å; M110-Y112 HydrophobicContact CB-CD2 3.92Å; M110-Y112 HydrophobicContact CB-CE1 4.47Å; M110-Y112 HydrophobicContact CB-CE2 3.48Å; M110-Y112 VanDerWaalsContact CB-CE2 3.48Å; M110-Y112 HydrophobicContact CG-CE2 4.08Å; M110-Y112 PolarHBondContact O-N 2.77Å
111C78.4Confident82.1Confident0 Ų058.9 Ų58.90%032%0.315CS..  trans55.147.9173.1-77.70000112.9C30 V37 S108 S109 R113 Y116C30-C111 VanDerWaalsContact CA-SG 3.53Å; C30-C111 HydrophobicContact CB-CB 4.4Å; C30-C111 WeakPolarHBondContact CB-SG 3.4Å; C30-C111 WeakPolarHBondContact SG-CA 3.21Å; C30-C111 WeakPolarHBondContact SG-CB 3.39Å; C30-C111 CovalentContact SG-SG 2.01Å; C30-C111 PolarHBondContact SG-SG 3Å; V37-C111 HydrophobicContact CG2-CB 3.73Å; S108-C111 PolarHBondContact O-N 3.2Å; S109-C111 PolarHBondContact O-N 3.25Å; C111-R113 PolarHBondContact O-N 3.31Å; C111-Y116 VanDerWaalsContact O-CE1 3.26Å; C111-Y116 WeakPolarHBondContact O-CE1 3.3Å
112Y78.2Confident82.1Confident101 Ų10160.1 Ų60.140%0.39630%0.3SS..  trans-67.9131.1175.6-66.8-65.2000109.8M110 K114 E115 Y116M110-Y112 VanDerWaalsContact C-N 3.35Å; M110-Y112 HydrophobicContact CB-CD2 3.92Å; M110-Y112 HydrophobicContact CB-CE1 4.47Å; M110-Y112 HydrophobicContact CB-CE2 3.48Å; M110-Y112 VanDerWaalsContact CB-CE2 3.48Å; M110-Y112 HydrophobicContact CG-CE2 4.08Å; M110-Y112 PolarHBondContact O-N 2.77Å; Y112-K114 PolarHBondContact O-N 3.02Å; Y112-K114 VanDerWaalsContact O-N 3.09Å; Y112-E115 WeakPolarHBondContact CD2-OE1 3.47Å; Y112-E115 WeakPolarHBondContact O-CA 3.36Å; Y112-E115 WeakPolarHBondContact O-CB 3.36Å; Y112-E115 PolarHBondContact O-N 3.44Å; Y112-Y116 WeakPolarHBondContact O-CD1 3.4Å; Y112-Y116 PolarHBondContact O-N 2.86Å
113R81Confident82.3Confident31 Ų3166.4 Ų66.412%0.11732%0.324CS..Hα-helixtrans-53.7-36.2-178.4-173.6163.3174.7142.11.9114.2E91 C111 E115 Y116 S117 Y121 Y122 Y125E91-R113 IonicContact OE1-CZ 3.04Å; E91-R113 IonicContact OE1-NH1 2.77Å; E91-R113 PolarHBondContact OE1-NH1 3.44Å; E91-R113 IonicContact OE1-NH2 2.58Å; E91-R113 PolarHBondContact OE1-NH2 3.2Å; C111-R113 PolarHBondContact O-N 3.31Å; R113-E115 PolarHBondContact O-N 2.89Å; R113-Y116 HydrophobicContact CB-CE1 4.04Å; R113-Y116 HydrophobicContact CB-CE2 4.11Å; R113-Y116 WeakPolarHBondContact CB-OH 3.47Å; R113-Y116 HydrophobicContact CG-CE2 3.7Å; R113-Y116 WeakPolarHBondContact CG-OH 3.2Å; R113-S117 VanDerWaalsContact O-CB 3.29Å; R113-S117 WeakPolarHBondContact O-CB 3.48Å; R113-S117 PolarHBondContact O-N 3.39Å; R113-S117 VanDerWaalsContact O-N 3.07Å; R113-S117 PolarHBondContact O-OG 2.92Å; R113-Y121 PolarHBondContact NH2-OH 2.8Å; R113-Y122 HydrophobicContact CB-CE2 4.43Å; R113-Y122 HydrophobicContact CG-CD2 4.17Å; R113-Y122 HydrophobicContact CG-CE2 4.43Å; R113-Y125 VanDerWaalsContact CZ-CE1 3.48Å; R113-Y125 PolarHBondContact NH1-OH 3.34Å; R113-Y125 VanDerWaalsContact NH2-CG 3.3Å
114K81.7Confident82.7Confident118 Ų11866.6 Ų66.651%0.51333%0.332SS..Hα-helixtrans-61.3-21.1175.673.7-179.8-179.6159.70113.8Y112 Y122Y112-K114 PolarHBondContact O-N 3.02Å; Y112-K114 VanDerWaalsContact O-N 3.09Å; K114-Y122 HydrophobicContact CB-CD1 4.26Å; K114-Y122 HydrophobicContact CB-CD2 4.25Å; K114-Y122 HydrophobicContact CB-CE1 4.1Å; K114-Y122 HydrophobicContact CB-CE2 4.11Å; K114-Y122 HydrophobicContact CB-CG 4.33Å
115E82.8Confident83Confident53 Ų5361.3 Ų61.325%0.24830%0.301CS..Hα-helixtrans-96.6-45-173.6-59.4179.2-171.600111.2I107 S108 Y112 R113I107-E115 HydrophobicContact CB-CB 3.96Å; I107-E115 HydrophobicContact CD1-CB 4.5Å; I107-E115 HydrophobicContact CG2-CB 3.78Å; S108-E115 WeakPolarHBondContact CB-OE2 3.25Å; S108-E115 PolarHBondContact N-OE2 3.21Å; Y112-E115 WeakPolarHBondContact CD2-OE1 3.47Å; Y112-E115 WeakPolarHBondContact O-CA 3.36Å; Y112-E115 WeakPolarHBondContact O-CB 3.36Å; Y112-E115 PolarHBondContact O-N 3.44Å; R113-E115 PolarHBondContact O-N 2.89Å
116Y83.8Confident83.1Confident8 Ų856.7 Ų56.73%0.03128%0.283CS..Hα-helixtrans-78.7-24.4177.262.4-114.4000113.6I31 V37 M41 V95 C111 Y112 R113I31-Y116 HydrophobicContact CD1-CD2 4.37Å; V37-Y116 HydrophobicContact CG1-CE1 4.06Å; M41-Y116 HydrophobicContact SD-CE2 4.38Å; M41-Y116 PolarHBondContact SD-OH 3.14Å; M41-Y116 VanDerWaalsContact SD-OH 3.4Å; V95-Y116 HydrophobicContact CG1-CD2 3.67Å; V95-Y116 HydrophobicContact CG1-CE2 3.53Å; C111-Y116 VanDerWaalsContact O-CE1 3.26Å; C111-Y116 WeakPolarHBondContact O-CE1 3.3Å; Y112-Y116 WeakPolarHBondContact O-CD1 3.4Å; Y112-Y116 PolarHBondContact O-N 2.86Å; R113-Y116 HydrophobicContact CB-CE1 4.04Å; R113-Y116 HydrophobicContact CB-CE2 4.11Å; R113-Y116 WeakPolarHBondContact CB-OH 3.47Å; R113-Y116 HydrophobicContact CG-CE2 3.7Å; R113-Y116 WeakPolarHBondContact CG-OH 3.2Å
117S85.2Confident83.3Confident6 Ų658.1 Ų58.14%0.04228%0.284CS..SBendtrans-99.3163.6-179.273.10000113.3R102 R113R102-S117 VanDerWaalsContact NH1-C 3.34Å; R102-S117 PolarHBondContact NH1-O 2.92Å; R113-S117 VanDerWaalsContact O-CB 3.29Å; R113-S117 WeakPolarHBondContact O-CB 3.48Å; R113-S117 PolarHBondContact O-N 3.39Å; R113-S117 VanDerWaalsContact O-N 3.07Å; R113-S117 PolarHBondContact O-OG 2.92Å
118S85.5Confident83.6Confident27 Ų2761.8 Ų61.819%0.18930%0.303CS..  trans-68.1144177.276.40000113.2R102 S120 Y121 Y122R102-S118 VanDerWaalsContact CZ-CB 3.46Å; R102-S118 VanDerWaalsContact NH1-CA 3.28Å; S118-S120 PolarHBondContact O-N 3.46Å; S118-S120 PolarHBondContact OG-OG 3.07Å; S118-S120 VanDerWaalsContact OG-OG 3.05Å; S118-Y121 PolarHBondContact O-N 3.43Å; S118-Y121 VanDerWaalsContact O-N 3.15Å; S118-Y121 WeakPolarHBondContact OG-CB 3.43Å; S118-Y121 PolarHBondContact OG-N 3.19Å; S118-Y122 VanDerWaalsContact O-CB 3.28Å; S118-Y122 WeakPolarHBondContact O-CB 3.3Å; S118-Y122 PolarHBondContact O-N 2.78Å
119P84.7Confident83.9Confident87 Ų8760.4 Ų60.457%0.56529%0.292SS*.Hα-helixtrans-56.4-36175.4-26.134.3000112.4R123P119-R123 VanDerWaalsContact O-CB 3.31Å; P119-R123 WeakPolarHBondContact O-CB 3.03Å; P119-R123 PolarHBondContact O-N 2.84Å; P119-R123 VanDerWaalsContact O-N 3.09Å
120S86.8Confident84.6Confident85 Ų8561.2 Ų61.259%0.59430%0.297SS*.Hα-helixtrans-66.6-49.1174.549.20000111.7S118 R123 A124S118-S120 PolarHBondContact O-N 3.46Å; S118-S120 PolarHBondContact OG-OG 3.07Å; S118-S120 VanDerWaalsContact OG-OG 3.05Å; S120-R123 PolarHBondContact O-N 3.46Å; S120-A124 PolarHBondContact O-N 3.39Å
121Y87.3Confident85.5Confident61 Ų6161.3 Ų61.324%0.23930%0.303CS..Hα-helixtrans-64.2-43.4177.8-179.1-92.2000112.1E91 I94 V95 R113 S118 R123 A124 Y125E91-Y121 WeakPolarHBondContact CG-OH 3.37Å; E91-Y121 PolarHBondContact OE1-OH 3.48Å; I94-Y121 HydrophobicContact CG2-CE2 4.13Å; V95-Y121 HydrophobicContact CG2-CD1 4.46Å; V95-Y121 HydrophobicContact CG2-CE1 3.51Å; V95-Y121 WeakPolarHBondContact CG2-OH 3.29Å; R113-Y121 PolarHBondContact NH2-OH 2.8Å; S118-Y121 PolarHBondContact O-N 3.43Å; S118-Y121 VanDerWaalsContact O-N 3.15Å; S118-Y121 WeakPolarHBondContact OG-CB 3.43Å; S118-Y121 PolarHBondContact OG-N 3.19Å; Y121-R123 VanDerWaalsContact C-N 3.29Å; Y121-R123 PolarHBondContact O-N 3.11Å; Y121-A124 PolarHBondContact O-N 3.1Å; Y121-Y125 VanDerWaalsContact O-CB 3.25Å; Y121-Y125 WeakPolarHBondContact O-CB 3.09Å; Y121-Y125 PolarHBondContact O-N 3.11Å
122Y86.3Confident86.1Confident92 Ų9262.2 Ų62.236%0.36131%0.308SS..Hα-helixtrans-60.2-40.4176.7-178.5-107000111.8R113 K114 S118 T126R113-Y122 HydrophobicContact CB-CE2 4.43Å; R113-Y122 HydrophobicContact CG-CD2 4.17Å; R113-Y122 HydrophobicContact CG-CE2 4.43Å; K114-Y122 HydrophobicContact CB-CD1 4.26Å; K114-Y122 HydrophobicContact CB-CD2 4.25Å; K114-Y122 HydrophobicContact CB-CE1 4.1Å; K114-Y122 HydrophobicContact CB-CE2 4.11Å; K114-Y122 HydrophobicContact CB-CG 4.33Å; S118-Y122 VanDerWaalsContact O-CB 3.28Å; S118-Y122 WeakPolarHBondContact O-CB 3.3Å; S118-Y122 PolarHBondContact O-N 2.78Å; Y122-T126 VanDerWaalsContact O-CB 3.28Å; Y122-T126 WeakPolarHBondContact O-CB 3.25Å; Y122-T126 PolarHBondContact O-N 3.26Å; Y122-T126 PolarHBondContact O-OG1 3.28Å
123R86.5Confident86.5Confident188 Ų18857.8 Ų57.871%0.70929%0.292SS*.Hα-helixtrans-65.4-48.4174.8-171.1-175.8-62.2173.7-0.6111.2P119 S120 Y121 T126 F127P119-R123 VanDerWaalsContact O-CB 3.31Å; P119-R123 WeakPolarHBondContact O-CB 3.03Å; P119-R123 PolarHBondContact O-N 2.84Å; P119-R123 VanDerWaalsContact O-N 3.09Å; S120-R123 PolarHBondContact O-N 3.46Å; Y121-R123 VanDerWaalsContact C-N 3.29Å; Y121-R123 PolarHBondContact O-N 3.11Å; R123-T126 PolarHBondContact O-N 2.87Å; R123-F127 WeakPolarHBondContact O-CB 3.4Å; R123-F127 PolarHBondContact O-N 3.33Å
124A88.9Confident87Confident48 Ų4859.5 Ų59.540%0.39731%0.306SS..Hα-helixtrans-60.1-47.4177.400000111.6S120 Y121 T126 F127 I128S120-A124 PolarHBondContact O-N 3.39Å; Y121-A124 PolarHBondContact O-N 3.1Å; A124-T126 PolarHBondContact O-N 2.78Å; A124-F127 WeakPolarHBondContact O-CB 3.25Å; A124-F127 PolarHBondContact O-N 2.85Å; A124-I128 WeakPolarHBondContact O-CB 3.36Å; A124-I128 VanDerWaalsContact O-CG1 3.25Å; A124-I128 WeakPolarHBondContact O-CG1 3.5Å; A124-I128 PolarHBondContact O-N 3.17Å
125Y88.4Confident87.5Confident39 Ų3956.9 Ų56.915%0.15330%0.299CS..Hα-helixtrans-59.7-45.2177.1170.9-101.8000112.3D45 R113 Y121 F127 I128 K129D45-Y125 WeakPolarHBondContact OD1-CE2 3.35Å; D45-Y125 PolarHBondContact OD1-OH 3.01Å; D45-Y125 VanDerWaalsContact OD1-OH 3.12Å; R113-Y125 VanDerWaalsContact CZ-CE1 3.48Å; R113-Y125 PolarHBondContact NH1-OH 3.34Å; R113-Y125 VanDerWaalsContact NH2-CG 3.3Å; Y121-Y125 VanDerWaalsContact O-CB 3.25Å; Y121-Y125 WeakPolarHBondContact O-CB 3.09Å; Y121-Y125 PolarHBondContact O-N 3.11Å; Y125-F127 VanDerWaalsContact C-N 3.34Å; Y125-F127 PolarHBondContact O-N 3.24Å; Y125-I128 PolarHBondContact O-N 3.19Å; Y125-K129 HydrophobicContact CD2-CG 4.46Å; Y125-K129 HydrophobicContact CE1-CG 4.12Å; Y125-K129 HydrophobicContact CE2-CD 4.48Å; Y125-K129 HydrophobicContact CE2-CG 4.04Å; Y125-K129 WeakPolarHBondContact O-CG 3.35Å; Y125-K129 PolarHBondContact O-N 3.07Å; Y125-K129 WeakPolarHBondContact OH-CE 3.44Å
126T85.9Confident87.8Confident27 Ų2754.9 Ų54.917%0.16629%0.291CS..Hα-helixtrans-64.9-41.7178.6-60.10000110.8Y122 R123 A124 K129 V130 L190Y122-T126 VanDerWaalsContact O-CB 3.28Å; Y122-T126 WeakPolarHBondContact O-CB 3.25Å; Y122-T126 PolarHBondContact O-N 3.26Å; Y122-T126 PolarHBondContact O-OG1 3.28Å; R123-T126 PolarHBondContact O-N 2.87Å; A124-T126 PolarHBondContact O-N 2.78Å; T126-K129 PolarHBondContact O-N 3.18Å; T126-V130 VanDerWaalsContact O-CG2 3.22Å; T126-V130 WeakPolarHBondContact O-CG2 3.42Å; T126-V130 PolarHBondContact O-N 2.9Å; T126-L190 HydrophobicContact CG2-CD1 3.94Å; T126-L190 HydrophobicContact CG2-CD2 3.85Å; T126-L190 HydrophobicContact CG2-CG 4.21Å
127F89.4Confident88.1Confident151 Ų15156.8 Ų56.866%0.66230%0.302SS*.Hα-helixtrans-60.6-46.6173.8179.7-98000111.8R123 A124 Y125 K129 V130 A131R123-F127 WeakPolarHBondContact O-CB 3.4Å; R123-F127 PolarHBondContact O-N 3.33Å; A124-F127 WeakPolarHBondContact O-CB 3.25Å; A124-F127 PolarHBondContact O-N 2.85Å; Y125-F127 VanDerWaalsContact C-N 3.34Å; Y125-F127 PolarHBondContact O-N 3.24Å; F127-K129 PolarHBondContact O-N 3.4Å; F127-V130 PolarHBondContact O-N 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.42Å; F127-A131 PolarHBondContact O-N 3.27Å
128I90.2Very high88.5Confident89 Ų8959.8 Ų59.846%0.45632%0.319SS..Hα-helixtrans-60.7-45.3177.7-69.3164.1000110.9A124 Y125 V130 A131 M132A124-I128 WeakPolarHBondContact O-CB 3.36Å; A124-I128 VanDerWaalsContact O-CG1 3.25Å; A124-I128 WeakPolarHBondContact O-CG1 3.5Å; A124-I128 PolarHBondContact O-N 3.17Å; Y125-I128 PolarHBondContact O-N 3.19Å; I128-V130 VanDerWaalsContact C-N 3.34Å; I128-V130 PolarHBondContact O-N 3.18Å; I128-A131 PolarHBondContact O-N 3.02Å; I128-M132 HydrophobicContact CG2-CE 4.05Å; I128-M132 HydrophobicContact CG2-CG 4.37Å; I128-M132 HydrophobicContact CG2-SD 4.33Å; I128-M132 WeakPolarHBondContact O-CB 3.11Å; I128-M132 VanDerWaalsContact O-CG 3.3Å; I128-M132 WeakPolarHBondContact O-CG 3.46Å; I128-M132 PolarHBondContact O-N 2.81Å
129K87.5Confident88.8Confident11 Ų1160.3 Ų60.35%0.04832%0.319CS..Hα-helixtrans-59.6-43.4176.8-78.9-77.6-174.2177.60112.6S44 D45 A48 Y125 T126 F127 M132 A133S44-K129 PolarHBondContact O-NZ 3.41Å; D45-K129 WeakPolarHBondContact OD1-CE 3.26Å; D45-K129 IonicContact OD1-NZ 2.66Å; D45-K129 PolarHBondContact OD1-NZ 3.13Å; A48-K129 HydrophobicContact CB-CD 4.19Å; Y125-K129 HydrophobicContact CD2-CG 4.46Å; Y125-K129 HydrophobicContact CE1-CG 4.12Å; Y125-K129 HydrophobicContact CE2-CD 4.48Å; Y125-K129 HydrophobicContact CE2-CG 4.04Å; Y125-K129 WeakPolarHBondContact O-CG 3.35Å; Y125-K129 PolarHBondContact O-N 3.07Å; Y125-K129 WeakPolarHBondContact OH-CE 3.44Å; T126-K129 PolarHBondContact O-N 3.18Å; F127-K129 PolarHBondContact O-N 3.4Å; K129-M132 HydrophobicContact CD-CE 3.73Å; K129-M132 HydrophobicContact CG-CE 4.25Å; K129-A133 PolarHBondContact O-N 3.15Å
130V87.3Confident89Confident27 Ų2757.1 Ų57.116%0.16430%0.295CS..Hα-helixtrans-66.2-46.3177174.30000110.5T126 F127 I128 M132 A133 V134 I187 L190T126-V130 VanDerWaalsContact O-CG2 3.22Å; T126-V130 WeakPolarHBondContact O-CG2 3.42Å; T126-V130 PolarHBondContact O-N 2.9Å; F127-V130 PolarHBondContact O-N 3.31Å; I128-V130 VanDerWaalsContact C-N 3.34Å; I128-V130 PolarHBondContact O-N 3.18Å; V130-M132 VanDerWaalsContact C-N 3.33Å; V130-M132 PolarHBondContact O-N 2.84Å; V130-A133 PolarHBondContact O-N 3.11Å; V130-A133 VanDerWaalsContact O-N 3.15Å; V130-V134 HydrophobicContact CG1-CG2 4.39Å; V130-V134 WeakPolarHBondContact O-CG2 3.45Å; V130-V134 PolarHBondContact O-N 2.85Å; V130-I187 HydrophobicContact CG1-CG1 4.05Å; V130-L190 HydrophobicContact CG2-CD1 3.38Å
131A90.4Very high89.2Confident38 Ų3858.3 Ų58.331%0.31429%0.29SS..Hα-helixtrans-58-45.7177.100000111.1F127 I128 A133 V134 V135F127-A131 WeakPolarHBondContact O-CB 3.42Å; F127-A131 PolarHBondContact O-N 3.27Å; I128-A131 PolarHBondContact O-N 3.02Å; A131-A133 PolarHBondContact O-N 2.77Å; A131-V134 PolarHBondContact O-N 3.31Å; A131-V135 WeakPolarHBondContact O-CB 3.17Å; A131-V135 VanDerWaalsContact O-CG2 3.24Å; A131-V135 WeakPolarHBondContact O-CG2 3.26Å; A131-V135 PolarHBondContact O-N 3.5Å
132M90.3Very high89.4Confident20 Ų2058.1 Ų58.110%0.09929%0.293CS..Hα-helixtrans-58.7-46174.6-72.4-170-60.500111.8A48 F49 L52 I128 K129 V130 V134 V135 C136A48-M132 HydrophobicContact CB-CE 3.96Å; F49-M132 HydrophobicContact CD1-SD 3.81Å; F49-M132 HydrophobicContact CE1-SD 3.6Å; F49-M132 HydrophobicContact CZ-SD 4.27Å; L52-M132 HydrophobicContact CD2-CG 4.29Å; I128-M132 HydrophobicContact CG2-CE 4.05Å; I128-M132 HydrophobicContact CG2-CG 4.37Å; I128-M132 HydrophobicContact CG2-SD 4.33Å; I128-M132 WeakPolarHBondContact O-CB 3.11Å; I128-M132 VanDerWaalsContact O-CG 3.3Å; I128-M132 WeakPolarHBondContact O-CG 3.46Å; I128-M132 PolarHBondContact O-N 2.81Å; K129-M132 HydrophobicContact CD-CE 3.73Å; K129-M132 HydrophobicContact CG-CE 4.25Å; V130-M132 VanDerWaalsContact C-N 3.33Å; V130-M132 PolarHBondContact O-N 2.84Å; M132-V134 VanDerWaalsContact C-N 3.34Å; M132-V134 PolarHBondContact O-N 3.28Å; M132-V135 PolarHBondContact O-N 3.06Å; M132-C136 WeakPolarHBondContact O-CB 3.42Å; M132-C136 PolarHBondContact O-N 3.42Å; M132-C136 PolarHBondContact O-SG 3.42Å
133A87.4Confident89.6Confident8 Ų853.8 Ų53.87%0.06628%0.276CS..Hα-helixtrans-62.2-40.6178.400000112.5K129 V130 A131 C136 L137 A183K129-A133 PolarHBondContact O-N 3.15Å; V130-A133 PolarHBondContact O-N 3.11Å; V130-A133 VanDerWaalsContact O-N 3.15Å; A131-A133 PolarHBondContact O-N 2.77Å; A133-C136 WeakPolarHBondContact O-CB 3.13Å; A133-L137 PolarHBondContact O-N 2.9Å; A133-L137 VanDerWaalsContact O-N 3.11Å; A133-A183 HydrophobicContact CB-CB 4.31Å
134V89.9Confident89.7Confident67 Ų6747.5 Ų47.541%0.40625%0.252SS..Hα-helixtrans-65.1-46.4175.4172.90000110.8V130 A131 M132 C136 L137 V138 I187V130-V134 HydrophobicContact CG1-CG2 4.39Å; V130-V134 WeakPolarHBondContact O-CG2 3.45Å; V130-V134 PolarHBondContact O-N 2.85Å; A131-V134 PolarHBondContact O-N 3.31Å; M132-V134 VanDerWaalsContact C-N 3.34Å; M132-V134 PolarHBondContact O-N 3.28Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-C136 PolarHBondContact O-N 3.47Å; V134-L137 WeakPolarHBondContact O-CB 3.43Å; V134-L137 PolarHBondContact O-N 3.25Å; V134-L137 VanDerWaalsContact O-N 3.14Å; V134-V138 WeakPolarHBondContact O-CG2 3.4Å; V134-V138 PolarHBondContact O-N 2.92Å; V134-I187 HydrophobicContact CG2-CD1 4.47Å
135V92.3Very high89.8Confident62 Ų6247.7 Ų47.738%0.37625%0.249SC..Hα-helixtrans-61.9-41.9178.1173.10000111.2L52 A131 M132 L137 V138 F139L52-V135 HydrophobicContact CD1-CB 4.12Å; L52-V135 HydrophobicContact CD1-CG1 3.63Å; A131-V135 WeakPolarHBondContact O-CB 3.17Å; A131-V135 VanDerWaalsContact O-CG2 3.24Å; A131-V135 WeakPolarHBondContact O-CG2 3.26Å; A131-V135 PolarHBondContact O-N 3.5Å; M132-V135 PolarHBondContact O-N 3.06Å; V135-L137 VanDerWaalsContact C-N 3.31Å; V135-L137 PolarHBondContact O-N 3.48Å; V135-V138 PolarHBondContact O-N 2.83Å; V135-F139 HydrophobicContact CG1-CD2 3.72Å; V135-F139 HydrophobicContact CG1-CE2 3.37Å; V135-F139 HydrophobicContact CG1-CZ 4.14Å; V135-F139 WeakPolarHBondContact O-CD2 3.25Å; V135-F139 PolarHBondContact O-N 3.11Å
136C90.2Very high89.9Confident12 Ų1247.6 Ų47.68%0.08125%0.25CS..Hα-helixtrans-55.1-47.1172.6-71.60000111.7L52 M132 A133 V134 F139 Y140L52-C136 WeakPolarHBondContact CA-SG 3.11Å; M132-C136 WeakPolarHBondContact O-CB 3.42Å; M132-C136 PolarHBondContact O-N 3.42Å; M132-C136 PolarHBondContact O-SG 3.42Å; A133-C136 WeakPolarHBondContact O-CB 3.13Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-C136 PolarHBondContact O-N 3.47Å; C136-F139 PolarHBondContact O-N 3.45Å; C136-Y140 VanDerWaalsContact O-CD2 3.23Å; C136-Y140 WeakPolarHBondContact O-CD2 3.49Å; C136-Y140 PolarHBondContact O-N 3.34Å
137L90.1Very high90Very high47 Ų4746.4 Ų46.425%0.24624%0.243CC..Hα-helixtrans-63-43.1179.9-171.4152.7000111.2A133 V134 V135 Y140 F141 F180 A183A133-L137 PolarHBondContact O-N 2.9Å; A133-L137 VanDerWaalsContact O-N 3.11Å; V134-L137 WeakPolarHBondContact O-CB 3.43Å; V134-L137 PolarHBondContact O-N 3.25Å; V134-L137 VanDerWaalsContact O-N 3.14Å; V135-L137 VanDerWaalsContact C-N 3.31Å; V135-L137 PolarHBondContact O-N 3.48Å; L137-Y140 PolarHBondContact O-N 3.39Å; L137-F141 WeakPolarHBondContact O-CB 3.46Å; L137-F141 PolarHBondContact O-N 2.9Å; L137-F180 HydrophobicContact CD1-CB 4.41Å; L137-F180 HydrophobicContact CD1-CD2 4.01Å; L137-A183 HydrophobicContact CD1-CB 4.07Å
138V92.6Very high89.8Confident69 Ų6943.4 Ų43.442%0.41823%0.23SC..Hα-helixtrans-59.9-47175172.30000110.8V134 V135 Y140 F141 L142V134-V138 WeakPolarHBondContact O-CG2 3.4Å; V134-V138 PolarHBondContact O-N 2.92Å; V135-V138 PolarHBondContact O-N 2.83Å; V138-Y140 PolarHBondContact O-N 3.4Å; V138-F141 PolarHBondContact O-N 2.94Å; V138-L142 HydrophobicContact CG1-CD1 3.78Å; V138-L142 HydrophobicContact CG1-CG 4.23Å; V138-L142 WeakPolarHBondContact O-CB 3.5Å; V138-L142 VanDerWaalsContact O-CG 3.29Å; V138-L142 WeakPolarHBondContact O-CG 3.39Å; V138-L142 PolarHBondContact O-N 3.22Å
139F92.8Very high89.7Confident39 Ų3942.8 Ų42.817%0.17123%0.226CC..Hα-helixtrans-62.1-41.7177.7-77-46.2000112.9L52 F56 F59 V135 C136 S143L52-F139 HydrophobicContact CD1-CD2 4.31Å; L52-F139 HydrophobicContact CD1-CE2 4.23Å; F56-F139 HydrophobicContact CB-CD2 4.22Å; F56-F139 HydrophobicContact CB-CE2 4.07Å; F56-F139 HydrophobicContact CB-CZ 4.49Å; F56-F139 HydrophobicContact CD2-CD1 4.4Å; F56-F139 AromaticContact CD2-CE1 3.77Å; F56-F139 HydrophobicContact CD2-CE1 3.77Å; F56-F139 AromaticContact CD2-CE2 3.96Å; F56-F139 HydrophobicContact CD2-CE2 3.96Å; F56-F139 AromaticContact CD2-CZ 3.52Å; F56-F139 HydrophobicContact CD2-CZ 3.52Å; F56-F139 HydrophobicContact CE2-CE1 4.34Å; F56-F139 HydrophobicContact CE2-CZ 4.17Å; F56-F139 HydrophobicContact CG-CE2 4.41Å; F56-F139 HydrophobicContact CG-CZ 4.39Å; F59-F139 HydrophobicContact CB-CB 4.22Å; F59-F139 HydrophobicContact CB-CD1 3.86Å; F59-F139 HydrophobicContact CB-CG 4.33Å; F59-F139 AromaticContact CD1-CD1 3.82Å; F59-F139 HydrophobicContact CD1-CD1 3.82Å; F59-F139 AromaticContact CD1-CE1 3.87Å; F59-F139 HydrophobicContact CD1-CE1 3.87Å; F59-F139 HydrophobicContact CD2-CD1 4.03Å; F59-F139 HydrophobicContact CE1-CD1 4.33Å; F59-F139 HydrophobicContact CE1-CE1 4.08Å; F59-F139 HydrophobicContact CE2-CD1 4.47Å; F59-F139 AromaticContact CG-CD1 3.63Å; F59-F139 HydrophobicContact CG-CD1 3.63Å; F59-F139 HydrophobicContact CG-CE1 4.18Å; V135-F139 HydrophobicContact CG1-CD2 3.72Å; V135-F139 HydrophobicContact CG1-CE2 3.37Å; V135-F139 HydrophobicContact CG1-CZ 4.14Å; V135-F139 WeakPolarHBondContact O-CD2 3.25Å; V135-F139 PolarHBondContact O-N 3.11Å; C136-F139 PolarHBondContact O-N 3.45Å; F139-S143 VanDerWaalsContact O-CB 3.28Å; F139-S143 WeakPolarHBondContact O-CB 3.42Å; F139-S143 PolarHBondContact O-N 3.2Å; F139-S143 PolarHBondContact O-OG 3.38Å
140Y88.9Confident89.6Confident19 Ų1948.9 Ų48.98%0.07525%0.25CS..Hα-helixtrans-65.4-41.2175.5-83.6-63.3000112.5C136 L137 V138 S143 Y144 L175 A179C136-Y140 VanDerWaalsContact O-CD2 3.23Å; C136-Y140 WeakPolarHBondContact O-CD2 3.49Å; C136-Y140 PolarHBondContact O-N 3.34Å; L137-Y140 PolarHBondContact O-N 3.39Å; V138-Y140 PolarHBondContact O-N 3.4Å; Y140-S143 WeakPolarHBondContact O-CB 3.11Å; Y140-S143 PolarHBondContact O-N 2.95Å; Y140-Y144 PolarHBondContact O-N 3.39Å; Y140-L175 HydrophobicContact CD1-CB 4.04Å; Y140-L175 HydrophobicContact CE1-CB 3.63Å; Y140-L175 HydrophobicContact CE1-CD1 4Å; Y140-L175 HydrophobicContact CE1-CG 4.35Å; Y140-A179 HydrophobicContact CD2-CB 3.75Å; Y140-A179 HydrophobicContact CE2-CB 4.18Å
141F90.3Very high89.4Confident111 Ų11149.5 Ų49.549%0.48725%0.252SS..Hα-helixtrans-63.3-48.4176.7-178.4-99.7000111.3L137 V138 S143 Y144 V145 L176L137-F141 WeakPolarHBondContact O-CB 3.46Å; L137-F141 PolarHBondContact O-N 2.9Å; V138-F141 PolarHBondContact O-N 2.94Å; F141-S143 VanDerWaalsContact C-N 3.34Å; F141-S143 PolarHBondContact O-N 3.41Å; F141-Y144 WeakPolarHBondContact O-CB 3.22Å; F141-Y144 PolarHBondContact O-N 3.44Å; F141-Y144 VanDerWaalsContact O-N 3.15Å; F141-V145 HydrophobicContact CD1-CG2 4.21Å; F141-V145 HydrophobicContact CE1-CG2 3.8Å; F141-V145 HydrophobicContact CE2-CG2 4.39Å; F141-V145 HydrophobicContact CZ-CG2 3.9Å; F141-V145 WeakPolarHBondContact O-CG2 3.46Å; F141-V145 PolarHBondContact O-N 3.38Å; F141-L176 HydrophobicContact CB-CD1 4.21Å
142L92.7Very high89.1Confident57 Ų5754.7 Ų54.730%0.29827%0.27SS..Hα-helixtrans-60.9-42.8175.8-70174.6000111.6F59 V138 Y144 V145 I146F59-L142 HydrophobicContact CD2-CB 3.76Å; F59-L142 HydrophobicContact CD2-CD1 4.3Å; F59-L142 HydrophobicContact CE2-CB 3.78Å; F59-L142 HydrophobicContact CE2-CD1 3.73Å; F59-L142 HydrophobicContact CE2-CG 4.38Å; F59-L142 HydrophobicContact CZ-CD1 4.48Å; V138-L142 HydrophobicContact CG1-CD1 3.78Å; V138-L142 HydrophobicContact CG1-CG 4.23Å; V138-L142 WeakPolarHBondContact O-CB 3.5Å; V138-L142 VanDerWaalsContact O-CG 3.29Å; V138-L142 WeakPolarHBondContact O-CG 3.39Å; V138-L142 PolarHBondContact O-N 3.22Å; L142-Y144 VanDerWaalsContact C-N 3.27Å; L142-Y144 PolarHBondContact O-N 2.9Å; L142-V145 PolarHBondContact O-N 2.92Å; L142-I146 WeakPolarHBondContact O-CB 3.47Å; L142-I146 WeakPolarHBondContact O-CD1 3.13Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 3.25Å
143S90.4Very high88.8Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-56.4-43.3174.7-610000111.7F59 F139 Y140 F141 H147F59-S143 WeakPolarHBondContact CA-OG 3.45Å; F59-S143 PolarHBondContact N-OG 3.13Å; F59-S143 VanDerWaalsContact N-OG 3.16Å; F139-S143 VanDerWaalsContact O-CB 3.28Å; F139-S143 WeakPolarHBondContact O-CB 3.42Å; F139-S143 PolarHBondContact O-N 3.2Å; F139-S143 PolarHBondContact O-OG 3.38Å; Y140-S143 WeakPolarHBondContact O-CB 3.11Å; Y140-S143 PolarHBondContact O-N 2.95Å; F141-S143 VanDerWaalsContact C-N 3.34Å; F141-S143 PolarHBondContact O-N 3.41Å; S143-H147 WeakPolarHBondContact O-CB 3.48Å; S143-H147 PolarHBondContact O-N 3.44Å
144Y88.7Confident88.2Confident56 Ų5662.7 Ų62.722%0.2231%0.31CS..Hα-helixtrans-65.7-46.5177.6175.4-100.6000112.3Y140 F141 L142 H147 K148 T169 L172 I173Y140-Y144 PolarHBondContact O-N 3.39Å; F141-Y144 WeakPolarHBondContact O-CB 3.22Å; F141-Y144 PolarHBondContact O-N 3.44Å; F141-Y144 VanDerWaalsContact O-N 3.15Å; L142-Y144 VanDerWaalsContact C-N 3.27Å; L142-Y144 PolarHBondContact O-N 2.9Å; Y144-H147 PolarHBondContact O-N 3.27Å; Y144-K148 HydrophobicContact CD1-CG 4.46Å; Y144-K148 HydrophobicContact CE1-CG 4.07Å; Y144-K148 HydrophobicContact CE2-CG 4.22Å; Y144-K148 VanDerWaalsContact CZ-CE 3.48Å; Y144-K148 WeakPolarHBondContact O-CB 3.49Å; Y144-K148 WeakPolarHBondContact O-CG 3.46Å; Y144-K148 PolarHBondContact O-N 3.09Å; Y144-K148 WeakPolarHBondContact OH-CE 3.3Å; Y144-T169 HydrophobicContact CE2-CG2 4.03Å; Y144-L172 HydrophobicContact CD2-CB 4.37Å; Y144-I173 HydrophobicContact CD2-CG1 4.2Å; Y144-I173 HydrophobicContact CE2-CD1 4.05Å; Y144-I173 HydrophobicContact CE2-CG1 3.66Å
145V90.5Very high87Confident52 Ų5269.1 Ų69.132%0.31533%0.329SS..Hα-helixtrans-61.4-48.4178.5172.40000110.9F141 L142 H147 K148 I149F141-V145 HydrophobicContact CD1-CG2 4.21Å; F141-V145 HydrophobicContact CE1-CG2 3.8Å; F141-V145 HydrophobicContact CE2-CG2 4.39Å; F141-V145 HydrophobicContact CZ-CG2 3.9Å; F141-V145 WeakPolarHBondContact O-CG2 3.46Å; F141-V145 PolarHBondContact O-N 3.38Å; L142-V145 PolarHBondContact O-N 2.92Å; V145-H147 VanDerWaalsContact C-N 3.33Å; V145-H147 PolarHBondContact O-N 3.12Å; V145-K148 WeakPolarHBondContact O-CB 3.3Å; V145-K148 PolarHBondContact O-N 3.42Å; V145-I149 HydrophobicContact CG1-CD1 3.84Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 2.69Å
146I90.1Very high85.5Confident37 Ų3769 Ų6919%0.1933%0.329CS..Hα-helixtrans-62.5-43.2179.4-64.6164.5000110.6F59 F62 W63 L142 K148 I149 Y150F59-I146 HydrophobicContact CD2-CD1 4.29Å; F59-I146 HydrophobicContact CE2-CD1 4.09Å; F62-I146 HydrophobicContact CB-CB 4.31Å; F62-I146 HydrophobicContact CB-CG2 3.79Å; W63-I146 HydrophobicContact CB-CD1 4.13Å; W63-I146 HydrophobicContact CD2-CD1 4.23Å; W63-I146 HydrophobicContact CE3-CD1 3.51Å; W63-I146 HydrophobicContact CG-CD1 4.48Å; W63-I146 HydrophobicContact CZ3-CD1 4.31Å; L142-I146 WeakPolarHBondContact O-CB 3.47Å; L142-I146 WeakPolarHBondContact O-CD1 3.13Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 3.25Å; I146-K148 PolarHBondContact O-N 3.17Å; I146-I149 PolarHBondContact O-N 2.81Å; I146-Y150 WeakPolarHBondContact O-CB 3.5Å; I146-Y150 PolarHBondContact O-N 3.49Å
147H87.6Confident84.3Confident3 Ų378.1 Ų78.11%0.01437%0.368CS..Hα-helixtrans-62.6-40.9176.7-177-106.4000112.3F62 S143 Y144 V145 Y150 I151 R168 T169 L172F62-H147 HydrophobicContact CD1-CB 4.34Å; F62-H147 AromaticContact CD1-CD2 3.89Å; F62-H147 HydrophobicContact CE1-CB 4.42Å; F62-H147 AromaticContact CE1-CD2 3.39Å; F62-H147 WeakPolarHBondContact CE1-CD2 3.45Å; F62-H147 HydrophobicContact CG-CB 4.45Å; F62-H147 AromaticContact CZ-CD2 3.88Å; S143-H147 WeakPolarHBondContact O-CB 3.48Å; S143-H147 PolarHBondContact O-N 3.44Å; Y144-H147 PolarHBondContact O-N 3.27Å; V145-H147 VanDerWaalsContact C-N 3.33Å; V145-H147 PolarHBondContact O-N 3.12Å; H147-Y150 PolarHBondContact O-N 3.41Å; H147-I151 WeakPolarHBondContact CE1-CD1 3.46Å; H147-I151 WeakPolarHBondContact O-CG1 3.17Å; H147-I151 PolarHBondContact O-N 3.39Å; H147-R168 WeakPolarHBondContact NE2-CB 3.05Å; H147-T169 PolarHBondContact CE1-OG1 3.44Å; H147-L172 HydrophobicContact CB-CD1 3.91Å
148K86.6Confident83.5Confident88 Ų8879.9 Ų79.938%0.38338%0.38SS..Hα-helixtrans-60.8-47.5174.5-86.7-85.9-169.9170.30111.9Y144 V145 I146 Y150 I151 Q152Y144-K148 HydrophobicContact CD1-CG 4.46Å; Y144-K148 HydrophobicContact CE1-CG 4.07Å; Y144-K148 HydrophobicContact CE2-CG 4.22Å; Y144-K148 VanDerWaalsContact CZ-CE 3.48Å; Y144-K148 WeakPolarHBondContact O-CB 3.49Å; Y144-K148 WeakPolarHBondContact O-CG 3.46Å; Y144-K148 PolarHBondContact O-N 3.09Å; Y144-K148 WeakPolarHBondContact OH-CE 3.3Å; V145-K148 WeakPolarHBondContact O-CB 3.3Å; V145-K148 PolarHBondContact O-N 3.42Å; I146-K148 PolarHBondContact O-N 3.17Å; K148-Y150 VanDerWaalsContact C-N 3.33Å; K148-Y150 PolarHBondContact O-N 2.91Å; K148-I151 PolarHBondContact O-N 3.3Å; K148-Q152 WeakPolarHBondContact O-CG 3.47Å; K148-Q152 PolarHBondContact O-N 3.46Å
149I87.6Confident82.8Confident75 Ų7585.5 Ų85.539%0.38540%0.395SS..Hα-helixtrans-60.2-45.6177.2-66.6166.2000110.1V145 I146 I151 Q152 Q153V145-I149 HydrophobicContact CG1-CD1 3.84Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 2.69Å; I146-I149 PolarHBondContact O-N 2.81Å; I149-I151 VanDerWaalsContact C-N 3.33Å; I149-I151 PolarHBondContact O-N 3.45Å; I149-Q152 PolarHBondContact O-N 2.95Å; I149-Q153 HydrophobicContact CG2-CG 4.44Å; I149-Q153 WeakPolarHBondContact O-CG 3.44Å; I149-Q153 PolarHBondContact O-N 3.2Å
150Y85.2Confident82Confident140 Ų14090.2 Ų90.255%0.54942%0.422SS..Hα-helixtrans-60.2-41178.9-174.3-90.8000112.5I146 H147 K148 S154I146-Y150 WeakPolarHBondContact O-CB 3.5Å; I146-Y150 PolarHBondContact O-N 3.49Å; H147-Y150 PolarHBondContact O-N 3.41Å; K148-Y150 VanDerWaalsContact C-N 3.33Å; K148-Y150 PolarHBondContact O-N 2.91Å; Y150-S154 WeakPolarHBondContact O-CB 3.47Å; Y150-S154 PolarHBondContact O-N 3.06Å; Y150-S154 PolarHBondContact O-OG 2.88Å
151I83.5Confident81.3Confident40 Ų4090.3 Ų90.321%0.20543%0.428CS..Hα-helixtrans-66.8-40176.2-69.8168.9000111.5H147 K148 I149 S154 N165H147-I151 WeakPolarHBondContact CE1-CD1 3.46Å; H147-I151 WeakPolarHBondContact O-CG1 3.17Å; H147-I151 PolarHBondContact O-N 3.39Å; K148-I151 PolarHBondContact O-N 3.3Å; I149-I151 VanDerWaalsContact C-N 3.33Å; I149-I151 PolarHBondContact O-N 3.45Å; I151-S154 CarbonylContact O-C 3.49Å; I151-N165 HydrophobicContact CD1-CB 3.8Å; I151-N165 HydrophobicContact CG1-CB 4.16Å
152Q83.3Confident80.7Confident147 Ų14788.3 Ų88.369%0.68743%0.425SS*.Hα-helixtrans-67.4-36.7179.3-74.3175.8-28.800112.2K148 I149K148-Q152 WeakPolarHBondContact O-CG 3.47Å; K148-Q152 PolarHBondContact O-N 3.46Å; I149-Q152 PolarHBondContact O-N 2.95Å
153Q83.4Confident79.9Confident153 Ų15389.5 Ų89.572%0.71543%0.431SS*.Hα-helixtrans-77-36.2176.9-69.4178.7-11.900112.5I149 Y155I149-Q153 HydrophobicContact CG2-CG 4.44Å; I149-Q153 WeakPolarHBondContact O-CG 3.44Å; I149-Q153 PolarHBondContact O-N 3.2Å; Q153-Y155 PolarHBondContact O-N 3.19Å
154S75.7Confident79.4Confident43 Ų4396 Ų9630%0.30146%0.455SS..SBendtrans-93.189.3179.9-56.20000109.9Y150 I151 P156Y150-S154 WeakPolarHBondContact O-CB 3.47Å; Y150-S154 PolarHBondContact O-N 3.06Å; Y150-S154 PolarHBondContact O-OG 2.88Å; I151-S154 CarbonylContact O-C 3.49Å; S154-P156 WeakPolarHBondContact O-CD 3.41Å
155Y63.7Low79Confident202 Ų20294.4 Ų94.479%0.79245%0.451SS*.  trans-49120169.4-101.9-90.9000109.4Q153 K157Q153-Y155 PolarHBondContact O-N 3.19Å; Y155-K157 PolarHBondContact O-N 3.48Å
156P62.1Low78.4Confident59 Ų5995.7 Ų95.738%0.38346%0.462SS..  trans-68.998.6-178.425.6-31.4000108.7S154 T158 T162S154-P156 WeakPolarHBondContact O-CD 3.41Å; P156-T158 PolarHBondContact O-N 2.99Å; P156-T158 VanDerWaalsContact O-N 3.15Å; P156-T162 WeakPolarHBondContact CB-OG1 3.47Å
157K64.6Low77.9Confident204 Ų204102.4 Ų102.489%0.88749%0.485SS*.  trans-66.1-13.1-179.5-63.7-173.1179.4-176.30113.3Y155Y155-K157 PolarHBondContact O-N 3.48Å
158T73.8Confident77.6Confident84 Ų84106.2 Ų106.252%0.51550%0.499SS..SBendtrans-138.2144.8-175.262.60000111.9P156 L160 G161 T162P156-T158 PolarHBondContact O-N 2.99Å; P156-T158 VanDerWaalsContact O-N 3.15Å; T158-L160 PolarHBondContact O-N 3.4Å; T158-G161 WeakPolarHBondContact O-CA 3.33Å; T158-G161 PolarHBondContact O-N 3.27Å; T158-G161 PolarHBondContact OG1-N 2.83Å; T158-T162 PolarHBondContact O-N 2.88Å; T158-T162 PolarHBondContact O-OG1 3.47Å
159Y77.4Confident77.3Confident186 Ų186103.1 Ų103.173%0.72949%0.488SS*.Hα-helixtrans-55.6-39.3175.1-177-108.6000112.3G161 T162 I163Y159-G161 VanDerWaalsContact C-N 3.3Å; Y159-G161 PolarHBondContact O-N 3Å; Y159-T162 WeakPolarHBondContact O-CB 3.44Å; Y159-T162 PolarHBondContact O-N 3.24Å; Y159-I163 HydrophobicContact CD1-CD1 3.7Å; Y159-I163 HydrophobicContact CE1-CD1 3.27Å; Y159-I163 HydrophobicContact CE1-CG1 4.23Å; Y159-I163 PolarHBondContact O-N 2.91Å
160L75.2Confident77Confident139 Ų139101.9 Ų101.973%0.72849%0.489SS*.Hα-helixtrans-60.3-38.3173.7-72.2170.2000112.5T158 I163 R164T158-L160 PolarHBondContact O-N 3.4Å; L160-I163 PolarHBondContact O-N 3.36Å; L160-R164 WeakPolarHBondContact O-CB 3.32Å; L160-R164 PolarHBondContact O-N 3.33Å
161G75.8Confident76.6Confident20 Ų2098.7 Ų98.721%0.20648%0.48CS..Hα-helixtrans-61.2-45.1174.200000111.8T158 Y159 R164 N165T158-G161 WeakPolarHBondContact O-CA 3.33Å; T158-G161 PolarHBondContact O-N 3.27Å; T158-G161 PolarHBondContact OG1-N 2.83Å; Y159-G161 VanDerWaalsContact C-N 3.3Å; Y159-G161 PolarHBondContact O-N 3Å; G161-R164 PolarHBondContact O-N 2.84Å; G161-N165 WeakPolarHBondContact O-CB 3.36Å; G161-N165 PolarHBondContact O-N 2.91Å; G161-N165 PolarHBondContact O-ND2 3.32Å
162T77.2Confident76.5Confident69 Ų6997 Ų9742%0.42347%0.471SS..Hα-helixtrans-61.5-45.9177.8-48.50000112P156 T158 Y159 R164 N165 S166P156-T162 WeakPolarHBondContact CB-OG1 3.47Å; T158-T162 PolarHBondContact O-N 2.88Å; T158-T162 PolarHBondContact O-OG1 3.47Å; Y159-T162 WeakPolarHBondContact O-CB 3.44Å; Y159-T162 PolarHBondContact O-N 3.24Å; T162-R164 PolarHBondContact O-N 3.33Å; T162-N165 PolarHBondContact O-N 3.24Å; T162-S166 WeakPolarHBondContact O-CB 3.12Å; T162-S166 PolarHBondContact O-N 3.09Å
163I75.7Confident76.4Confident82 Ų8293.3 Ų93.342%0.42146%0.455SS..Hα-helixtrans-61.5-46.1176.7-68.2171000110.9Y159 L160 N165 S166 R167Y159-I163 HydrophobicContact CD1-CD1 3.7Å; Y159-I163 HydrophobicContact CE1-CD1 3.27Å; Y159-I163 HydrophobicContact CE1-CG1 4.23Å; Y159-I163 PolarHBondContact O-N 2.91Å; L160-I163 PolarHBondContact O-N 3.36Å; I163-N165 VanDerWaalsContact C-N 3.31Å; I163-N165 PolarHBondContact O-N 3.43Å; I163-S166 PolarHBondContact O-N 3.38Å; I163-R167 WeakPolarHBondContact O-CB 3.21Å; I163-R167 PolarHBondContact O-N 2.93Å
164R80.1Confident76.1Confident136 Ų13689 Ų8951%0.51344%0.437SS..Hα-helixtrans-62.4-40.2-179.8-170.5177-175.9171.43.1111.7L160 G161 T162 R168L160-R164 WeakPolarHBondContact O-CB 3.32Å; L160-R164 PolarHBondContact O-N 3.33Å; G161-R164 PolarHBondContact O-N 2.84Å; T162-R164 PolarHBondContact O-N 3.33Å; R164-R168 WeakPolarHBondContact O-CG 3.34Å; R164-R168 PolarHBondContact O-N 3.36Å
165N80.2Confident76.4Confident24 Ų2488.5 Ų88.513%0.12843%0.431CS..Hα-helixtrans-68.9-41.2177.7-73-10.9000111.9I151 G161 T162 I163 R168 T169I151-N165 HydrophobicContact CD1-CB 3.8Å; I151-N165 HydrophobicContact CG1-CB 4.16Å; G161-N165 WeakPolarHBondContact O-CB 3.36Å; G161-N165 PolarHBondContact O-N 2.91Å; G161-N165 PolarHBondContact O-ND2 3.32Å; T162-N165 PolarHBondContact O-N 3.24Å; I163-N165 VanDerWaalsContact C-N 3.31Å; I163-N165 PolarHBondContact O-N 3.43Å; N165-R168 PolarHBondContact O-N 2.96Å; N165-T169 WeakPolarHBondContact O-CB 3.5Å; N165-T169 PolarHBondContact O-N 2.69Å; N165-T169 PolarHBondContact O-OG1 3.38Å
166S78.5Confident77.2Confident79 Ų7980.9 Ų80.955%0.55240%0.404SS*.Hα-helixtrans-59.4-49173.2-179.70000111.2T162 I163 R168 T169 A170T162-S166 WeakPolarHBondContact O-CB 3.12Å; T162-S166 PolarHBondContact O-N 3.09Å; I163-S166 PolarHBondContact O-N 3.38Å; S166-R168 PolarHBondContact O-N 2.78Å; S166-T169 PolarHBondContact O-N 2.99Å; S166-A170 PolarHBondContact O-N 3.12Å
167R79.2Confident78.1Confident177 Ų17782.2 Ų82.267%0.66841%0.411SS*.Hα-helixtrans-59.3-44177.7-169.9178.175.2-172.54.8112.7I163 M171I163-R167 WeakPolarHBondContact O-CB 3.21Å; I163-R167 PolarHBondContact O-N 2.93Å; R167-M171 WeakPolarHBondContact O-CB 3.44Å; R167-M171 PolarHBondContact O-N 3.44Å
168R80.7Confident78.7Confident83 Ų8373.3 Ų73.331%0.31337%0.373SS..Hα-helixtrans-64.7-41.6177.1-77.6175.4171.4172.5-6112.1H147 R164 N165 S166 M171 L172H147-R168 WeakPolarHBondContact NE2-CB 3.05Å; R164-R168 WeakPolarHBondContact O-CG 3.34Å; R164-R168 PolarHBondContact O-N 3.36Å; N165-R168 PolarHBondContact O-N 2.96Å; S166-R168 PolarHBondContact O-N 2.78Å; R168-M171 PolarHBondContact O-N 3.24Å; R168-L172 WeakPolarHBondContact O-CB 3.44Å; R168-L172 WeakPolarHBondContact O-CG 3.22Å; R168-L172 PolarHBondContact O-N 2.76Å
169T81Confident79Confident24 Ų2469.7 Ų69.715%0.14735%0.352CS..Hα-helixtrans-63.7-47.6177.9-55.40000110.7Y144 H147 N165 S166 M171 L172 I173Y144-T169 HydrophobicContact CE2-CG2 4.03Å; H147-T169 PolarHBondContact CE1-OG1 3.44Å; N165-T169 WeakPolarHBondContact O-CB 3.5Å; N165-T169 PolarHBondContact O-N 2.69Å; N165-T169 PolarHBondContact O-OG1 3.38Å; S166-T169 PolarHBondContact O-N 2.99Å; T169-M171 VanDerWaalsContact C-N 3.33Å; T169-M171 PolarHBondContact O-N 3.3Å; T169-L172 PolarHBondContact O-N 3.08Å; T169-I173 HydrophobicContact CG2-CD1 3.92Å; T169-I173 WeakPolarHBondContact O-CG1 3.32Å; T169-I173 PolarHBondContact O-N 2.97Å
170A80.1Confident79.3Confident48 Ų4867.2 Ų67.240%0.39735%0.345SS..Hα-helixtrans-58.8-45176.300000111.5S166 L172 I173 N174S166-A170 PolarHBondContact O-N 3.12Å; A170-L172 PolarHBondContact O-N 2.66Å; A170-I173 PolarHBondContact O-N 3.49Å; A170-N174 WeakPolarHBondContact O-CB 3.31Å; A170-N174 PolarHBondContact O-N 3.09Å
171M78.5Confident79.5Confident73 Ų7361.6 Ų61.636%0.3632%0.318SS..Hα-helixtrans-61.7-42176.7-167.8-167.3-167.500112.6R167 R168 T169 N174 L175R167-M171 WeakPolarHBondContact O-CB 3.44Å; R167-M171 PolarHBondContact O-N 3.44Å; R168-M171 PolarHBondContact O-N 3.24Å; T169-M171 VanDerWaalsContact C-N 3.33Å; T169-M171 PolarHBondContact O-N 3.3Å; M171-N174 WeakPolarHBondContact O-CB 3.25Å; M171-L175 HydrophobicContact CE-CD1 4.4Å; M171-L175 HydrophobicContact CG-CD1 4.04Å; M171-L175 WeakPolarHBondContact O-CD1 3.42Å; M171-L175 VanDerWaalsContact O-CG 3.3Å; M171-L175 WeakPolarHBondContact O-CG 3.49Å; M171-L175 PolarHBondContact O-N 2.66Å
172L80.2Confident79.6Confident5 Ų561.3 Ų61.33%0.02631%0.312CS..Hα-helixtrans-67.3-43.4178.5-77.5170000112.1F62 Y144 H147 R168 T169 A170 N174 L175 L176F62-L172 HydrophobicContact CE2-CD1 3.88Å; F62-L172 HydrophobicContact CE2-CD2 4.15Å; F62-L172 HydrophobicContact CZ-CD1 4.06Å; Y144-L172 HydrophobicContact CD2-CB 4.37Å; H147-L172 HydrophobicContact CB-CD1 3.91Å; R168-L172 WeakPolarHBondContact O-CB 3.44Å; R168-L172 WeakPolarHBondContact O-CG 3.22Å; R168-L172 PolarHBondContact O-N 2.76Å; T169-L172 PolarHBondContact O-N 3.08Å; A170-L172 PolarHBondContact O-N 2.66Å; L172-N174 VanDerWaalsContact C-N 3.33Å; L172-N174 PolarHBondContact O-N 2.97Å; L172-L175 PolarHBondContact O-N 2.93Å; L172-L176 WeakPolarHBondContact O-CB 3.37Å; L172-L176 PolarHBondContact O-N 2.86Å
173I81.3Confident79.7Confident70 Ų7058.2 Ų58.236%0.35929%0.294SS..Hα-helixtrans-59.7-48175.2-69.8169.3000109.8Y144 T169 A170 L175 L176 T177Y144-I173 HydrophobicContact CD2-CG1 4.2Å; Y144-I173 HydrophobicContact CE2-CD1 4.05Å; Y144-I173 HydrophobicContact CE2-CG1 3.66Å; T169-I173 HydrophobicContact CG2-CD1 3.92Å; T169-I173 WeakPolarHBondContact O-CG1 3.32Å; T169-I173 PolarHBondContact O-N 2.97Å; A170-I173 PolarHBondContact O-N 3.49Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 2.88Å; I173-L176 WeakPolarHBondContact O-CB 3.12Å; I173-L176 PolarHBondContact O-N 3.31Å; I173-L176 VanDerWaalsContact O-N 3.16Å; I173-T177 PolarHBondContact O-N 2.76Å; I173-T177 PolarHBondContact O-OG1 3.39Å
174N77.7Confident79.9Confident63 Ų6360 Ų6034%0.33730%0.298SS..Hα-helixtrans-55.5-44.4177.7-87.86.1000113.1A170 M171 L172 T177 I178 V224A170-N174 WeakPolarHBondContact O-CB 3.31Å; A170-N174 PolarHBondContact O-N 3.09Å; M171-N174 WeakPolarHBondContact O-CB 3.25Å; L172-N174 VanDerWaalsContact C-N 3.33Å; L172-N174 PolarHBondContact O-N 2.97Å; N174-T177 PolarHBondContact O-N 3.37Å; N174-I178 WeakPolarHBondContact O-CG1 3.28Å; N174-I178 PolarHBondContact O-N 3.15Å; N174-V224 HydrophobicContact CB-CG1 3.33Å
175L80.9Confident79.6Confident32 Ų3254.8 Ų54.817%0.16828%0.28CS..Hα-helixtrans-73.8-34177.9-72161.8000113R58 Y140 M171 L172 I173 T177 I178 A179R58-L175 VanDerWaalsContact NH2-CD1 3.25Å; Y140-L175 HydrophobicContact CD1-CB 4.04Å; Y140-L175 HydrophobicContact CE1-CB 3.63Å; Y140-L175 HydrophobicContact CE1-CD1 4Å; Y140-L175 HydrophobicContact CE1-CG 4.35Å; M171-L175 HydrophobicContact CE-CD1 4.4Å; M171-L175 HydrophobicContact CG-CD1 4.04Å; M171-L175 WeakPolarHBondContact O-CD1 3.42Å; M171-L175 VanDerWaalsContact O-CG 3.3Å; M171-L175 WeakPolarHBondContact O-CG 3.49Å; M171-L175 PolarHBondContact O-N 2.66Å; L172-L175 PolarHBondContact O-N 2.93Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 2.88Å; L175-T177 VanDerWaalsContact C-N 3.29Å; L175-I178 PolarHBondContact O-N 3.5Å; L175-A179 VanDerWaalsContact O-CB 3.25Å; L175-A179 WeakPolarHBondContact O-CB 3.15Å; L175-A179 PolarHBondContact O-N 3.23Å
176L82.1Confident79.3Confident42 Ų4255.5 Ų55.522%0.2228%0.282CS..Hα-helixtrans-61.1-42.5171.6-170.973.5000110.2F141 L172 I173 A179 F180F141-L176 HydrophobicContact CB-CD1 4.21Å; L172-L176 WeakPolarHBondContact O-CB 3.37Å; L172-L176 PolarHBondContact O-N 2.86Å; I173-L176 WeakPolarHBondContact O-CB 3.12Å; I173-L176 PolarHBondContact O-N 3.31Å; I173-L176 VanDerWaalsContact O-N 3.16Å; L176-A179 PolarHBondContact O-N 3.47Å; L176-F180 VanDerWaalsContact O-CB 3.26Å; L176-F180 WeakPolarHBondContact O-CB 3.49Å; L176-F180 PolarHBondContact O-N 2.91Å
177T80.5Confident79.2Confident87 Ų8754.2 Ų54.253%0.53427%0.268SS..Hα-helixtrans-62.9-44175.7-56.60000111.9I173 N174 L175 F180 A181I173-T177 PolarHBondContact O-N 2.76Å; I173-T177 PolarHBondContact O-OG1 3.39Å; N174-T177 PolarHBondContact O-N 3.37Å; L175-T177 VanDerWaalsContact C-N 3.29Å; T177-F180 PolarHBondContact O-N 2.83Å; T177-A181 WeakPolarHBondContact O-CB 3.05Å; T177-A181 PolarHBondContact O-N 2.88Å
178I77.6Confident78.8Confident16 Ų1646.6 Ų46.68%0.08224%0.243CC..Hα-helixtrans-63.2-47.1174.8-68.9167.1000110.6N174 L175 F180 A181 I182 V224N174-I178 WeakPolarHBondContact O-CG1 3.28Å; N174-I178 PolarHBondContact O-N 3.15Å; L175-I178 PolarHBondContact O-N 3.5Å; I178-F180 VanDerWaalsContact C-N 3.29Å; I178-F180 PolarHBondContact O-N 3.47Å; I178-A181 PolarHBondContact O-N 3.13Å; I178-I182 HydrophobicContact CG2-CD1 3.64Å; I178-I182 HydrophobicContact CG2-CG1 4.27Å; I178-I182 WeakPolarHBondContact O-CB 3.48Å; I178-I182 VanDerWaalsContact O-CG1 3.28Å; I178-I182 WeakPolarHBondContact O-CG1 3.02Å; I178-I182 PolarHBondContact O-N 2.81Å; I178-V224 HydrophobicContact CD1-CB 3.75Å; I178-V224 HydrophobicContact CD1-CG1 3.55Å; I178-V224 HydrophobicContact CD1-CG2 4.03Å; I178-V224 HydrophobicContact CG1-CG1 4.37Å; I178-V224 HydrophobicContact CG1-CG2 4.28Å
179A79.4Confident78.2Confident9 Ų944.8 Ų44.87%0.07424%0.242CC..Hα-helixtrans-61.9-38.9179.300000111.5Y140 L175 L176 I182 A183Y140-A179 HydrophobicContact CD2-CB 3.75Å; Y140-A179 HydrophobicContact CE2-CB 4.18Å; L175-A179 VanDerWaalsContact O-CB 3.25Å; L175-A179 WeakPolarHBondContact O-CB 3.15Å; L175-A179 PolarHBondContact O-N 3.23Å; L176-A179 PolarHBondContact O-N 3.47Å; A179-I182 PolarHBondContact O-N 2.84Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.25Å
180F82.9Confident77.6Confident133 Ų13347 Ų4758%0.58325%0.253SS*.Hα-helixtrans-63.9-46.4173.9-175.7-92.6000111.6L137 L176 T177 I178 I182 A183 F184L137-F180 HydrophobicContact CD1-CB 4.41Å; L137-F180 HydrophobicContact CD1-CD2 4.01Å; L176-F180 VanDerWaalsContact O-CB 3.26Å; L176-F180 WeakPolarHBondContact O-CB 3.49Å; L176-F180 PolarHBondContact O-N 2.91Å; T177-F180 PolarHBondContact O-N 2.83Å; I178-F180 VanDerWaalsContact C-N 3.29Å; I178-F180 PolarHBondContact O-N 3.47Å; F180-I182 VanDerWaalsContact C-N 3.35Å; F180-I182 PolarHBondContact O-N 3.37Å; F180-A183 PolarHBondContact O-N 2.93Å; F180-F184 WeakPolarHBondContact O-CB 3.43Å; F180-F184 PolarHBondContact O-N 3.05Å
181A80.8Confident77Confident21 Ų2150.8 Ų50.817%0.17426%0.264CS..Hα-helixtrans-58.9-47.617500000110.9T177 I178 A183 F184 F185 L220T177-A181 WeakPolarHBondContact O-CB 3.05Å; T177-A181 PolarHBondContact O-N 2.88Å; I178-A181 PolarHBondContact O-N 3.13Å; A181-A183 PolarHBondContact O-N 3.2Å; A181-F184 WeakPolarHBondContact O-CB 3.4Å; A181-F184 PolarHBondContact O-N 3.02Å; A181-F185 HydrophobicContact CB-CE2 4.43Å; A181-F185 WeakPolarHBondContact O-CD2 3.17Å; A181-F185 PolarHBondContact O-N 3.3Å; A181-L220 HydrophobicContact CB-CD1 4.33Å
182I77Confident76.3Confident15 Ų1548.6 Ų48.68%0.07726%0.255CS..Hα-helixtrans-57.8-49.3176.8-73.6172.9000111.5M51 I178 A179 F180 F184 F185 H186 Y213M51-I182 HydrophobicContact CE-CD1 4.14Å; M51-I182 HydrophobicContact CE-CG2 4.35Å; M51-I182 HydrophobicContact SD-CD1 3.54Å; M51-I182 VanDerWaalsContact SD-CD1 3.54Å; I178-I182 HydrophobicContact CG2-CD1 3.64Å; I178-I182 HydrophobicContact CG2-CG1 4.27Å; I178-I182 WeakPolarHBondContact O-CB 3.48Å; I178-I182 VanDerWaalsContact O-CG1 3.28Å; I178-I182 WeakPolarHBondContact O-CG1 3.02Å; I178-I182 PolarHBondContact O-N 2.81Å; A179-I182 PolarHBondContact O-N 2.84Å; F180-I182 VanDerWaalsContact C-N 3.35Å; F180-I182 PolarHBondContact O-N 3.37Å; I182-F184 VanDerWaalsContact C-N 3.31Å; I182-F184 PolarHBondContact O-N 3.45Å; I182-F185 PolarHBondContact O-N 3.49Å; I182-H186 PolarHBondContact O-CD2 3.45Å; I182-H186 VanDerWaalsContact O-CD2 3.23Å; I182-H186 PolarHBondContact O-N 3.24Å; I182-Y213 HydrophobicContact CB-CE2 4.46Å; I182-Y213 HydrophobicContact CG1-CE2 4.05Å; I182-Y213 WeakPolarHBondContact CG2-OH 3.26Å
183A79Confident75.5Confident4 Ų455.1 Ų55.13%0.03328%0.283CS..Hα-helixtrans-60.1-43.4176.900000111.3A133 L137 A179 F180 A181 F185 H186 I187A133-A183 HydrophobicContact CB-CB 4.31Å; L137-A183 HydrophobicContact CD1-CB 4.07Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.25Å; F180-A183 PolarHBondContact O-N 2.93Å; A181-A183 PolarHBondContact O-N 3.2Å; A183-F185 PolarHBondContact O-N 2.86Å; A183-H186 PolarHBondContact O-N 3.42Å; A183-I187 WeakPolarHBondContact O-CB 3.45Å; A183-I187 VanDerWaalsContact O-CG1 3.25Å; A183-I187 WeakPolarHBondContact O-CG1 3.4Å; A183-I187 PolarHBondContact O-N 2.89Å
184F79.3Confident74.5Confident118 Ų11856.1 Ų56.152%0.51829%0.294SS..Hα-helixtrans-58.5-45.3175.1-178.8-95.7000111.7F180 A181 I182 H186 I187 A188F180-F184 WeakPolarHBondContact O-CB 3.43Å; F180-F184 PolarHBondContact O-N 3.05Å; A181-F184 WeakPolarHBondContact O-CB 3.4Å; A181-F184 PolarHBondContact O-N 3.02Å; I182-F184 VanDerWaalsContact C-N 3.31Å; I182-F184 PolarHBondContact O-N 3.45Å; F184-H186 VanDerWaalsContact C-N 3.32Å; F184-H186 PolarHBondContact O-N 2.85Å; F184-I187 PolarHBondContact O-N 3.28Å; F184-A188 HydrophobicContact CD1-CB 4.49Å; F184-A188 HydrophobicContact CE1-CB 4.24Å; F184-A188 HydrophobicContact CZ-CB 4.37Å; F184-A188 WeakPolarHBondContact O-CB 3.46Å; F184-A188 PolarHBondContact O-N 3.15Å
185F75.3Confident73.6Confident28 Ų2856.3 Ų56.312%0.12329%0.294CS..Hα-helixtrans-69.2-25.2178-75.5-71.2000114.3A181 I182 A183 P189 I209 Y213 L216A181-F185 HydrophobicContact CB-CE2 4.43Å; A181-F185 WeakPolarHBondContact O-CD2 3.17Å; A181-F185 PolarHBondContact O-N 3.3Å; I182-F185 PolarHBondContact O-N 3.49Å; A183-F185 PolarHBondContact O-N 2.86Å; F185-P189 WeakPolarHBondContact O-CD 3.41Å; F185-P189 WeakPolarHBondContact O-CG 3.39Å; F185-I209 HydrophobicContact CD1-CG2 3.67Å; F185-I209 HydrophobicContact CE1-CG2 3.59Å; F185-Y213 HydrophobicContact CB-CD1 4.31Å; F185-Y213 HydrophobicContact CB-CD2 3.19Å; F185-Y213 HydrophobicContact CB-CE2 3.55Å; F185-Y213 HydrophobicContact CB-CG 3.6Å; F185-Y213 AromaticContact CD1-CD2 3.93Å; F185-Y213 HydrophobicContact CD1-CD2 3.93Å; F185-Y213 HydrophobicContact CD1-CG 4.15Å; F185-Y213 AromaticContact CD2-CD2 3.25Å; F185-Y213 HydrophobicContact CD2-CD2 3.25Å; F185-Y213 AromaticContact CD2-CE2 3.75Å; F185-Y213 HydrophobicContact CD2-CE2 3.75Å; F185-Y213 HydrophobicContact CD2-CG 4.24Å; F185-Y213 HydrophobicContact CE2-CD2 4.09Å; F185-Y213 AromaticContact CG-CD2 3.19Å; F185-Y213 HydrophobicContact CG-CD2 3.19Å; F185-Y213 AromaticContact CG-CE2 3.89Å; F185-Y213 HydrophobicContact CG-CE2 3.89Å; F185-Y213 AromaticContact CG-CG 3.78Å; F185-Y213 HydrophobicContact CG-CG 3.78Å; F185-L216 HydrophobicContact CE1-CD2 4.48Å; F185-L216 HydrophobicContact CE2-CD2 3.83Å; F185-L216 HydrophobicContact CZ-CD2 3.45Å; F185-L216 VanDerWaalsContact CZ-CD2 3.45Å
186H74.3Confident72.4Confident39 Ų3957.9 Ų57.918%0.18130%0.303CS..Hα-helixtrans-79.9-34.7172.3-79.7-66.8000112.8I182 A183 F184 Y213I182-H186 PolarHBondContact O-CD2 3.45Å; I182-H186 VanDerWaalsContact O-CD2 3.23Å; I182-H186 PolarHBondContact O-N 3.24Å; A183-H186 PolarHBondContact O-N 3.42Å; F184-H186 VanDerWaalsContact C-N 3.32Å; F184-H186 PolarHBondContact O-N 2.85Å; H186-Y213 AromaticContact NE2-CE1 3.94Å; H186-Y213 AromaticContact NE2-CZ 3.89Å; H186-Y213 PolarHBondContact NE2-OH 3.28Å
187I75.1Confident71.4Confident51 Ų5163.8 Ų63.826%0.26233%0.334SS..Hα-helixtrans-84.5-36.5-178.3-64.9165.9000111.7V130 V134 A183 F184 L190 M191V130-I187 HydrophobicContact CG1-CG1 4.05Å; V134-I187 HydrophobicContact CG2-CD1 4.47Å; A183-I187 WeakPolarHBondContact O-CB 3.45Å; A183-I187 VanDerWaalsContact O-CG1 3.25Å; A183-I187 WeakPolarHBondContact O-CG1 3.4Å; A183-I187 PolarHBondContact O-N 2.89Å; F184-I187 PolarHBondContact O-N 3.28Å; I187-L190 WeakPolarHBondContact O-CB 3.4Å; I187-L190 PolarHBondContact O-N 2.94Å; I187-M191 HydrophobicContact CG2-CE 3.83Å; I187-M191 HydrophobicContact CG2-CG 3.74Å; I187-M191 PolarHBondContact O-N 3.44Å
188A72.1Confident70.6Confident17 Ų1769.8 Ų69.814%0.1435%0.347CS..Hα-helixtrans-55.8-44.5-176.100000113.7F184 L190 M191 V192F184-A188 HydrophobicContact CD1-CB 4.49Å; F184-A188 HydrophobicContact CE1-CB 4.24Å; F184-A188 HydrophobicContact CZ-CB 4.37Å; F184-A188 WeakPolarHBondContact O-CB 3.46Å; F184-A188 PolarHBondContact O-N 3.15Å; A188-L190 PolarHBondContact O-N 3.23Å; A188-M191 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-CG2 3.25Å; A188-V192 WeakPolarHBondContact O-CG2 3.3Å; A188-V192 PolarHBondContact O-N 2.58Å
189P66.7Low70.1Confident45 Ų4570.6 Ų70.629%0.29235%0.354SS..Hα-helixtrans-61.3-31176.5-21.932.7000113.3F185 K193F185-P189 WeakPolarHBondContact O-CD 3.41Å; F185-P189 WeakPolarHBondContact O-CG 3.39Å; P189-K193 PolarHBondContact O-N 3.48Å
190L69.1Low69.6Low71 Ų7175.3 Ų75.337%0.37238%0.384SS..Hα-helixtrans-75-41.5176.7-71.7161.9000111.7T126 V130 I187 A188 V192 K193 P194T126-L190 HydrophobicContact CG2-CD1 3.94Å; T126-L190 HydrophobicContact CG2-CD2 3.85Å; T126-L190 HydrophobicContact CG2-CG 4.21Å; V130-L190 HydrophobicContact CG2-CD1 3.38Å; I187-L190 WeakPolarHBondContact O-CB 3.4Å; I187-L190 PolarHBondContact O-N 2.94Å; A188-L190 PolarHBondContact O-N 3.23Å; L190-V192 PolarHBondContact O-N 2.77Å; L190-K193 VanDerWaalsContact O-CB 3.29Å; L190-K193 WeakPolarHBondContact O-CB 3.44Å; L190-K193 PolarHBondContact O-N 2.74Å; L190-P194 WeakPolarHBondContact O-CD 3.43Å
191M67.4Low69.1Low128 Ų12874 Ų7463%0.63139%0.386SS*.Hα-helixtrans-65.5-29.8175.9-68.6-65.4162.600112.3I187 A188 P194I187-M191 HydrophobicContact CG2-CE 3.83Å; I187-M191 HydrophobicContact CG2-CG 3.74Å; I187-M191 PolarHBondContact O-N 3.44Å; A188-M191 PolarHBondContact O-N 3.44Å; M191-P194 VanDerWaalsContact O-CD 3.3Å; M191-P194 WeakPolarHBondContact O-CD 3.44Å; M191-P194 WeakPolarHBondContact O-CG 2.95Å
192V64.3Low68.5Low27 Ų2775.8 Ų75.816%0.16439%0.393CS..Hα-helixtrans-79-21.3176.7175.40000112.6A188 L190 L195 N196 I202 A206A188-V192 VanDerWaalsContact O-CG2 3.25Å; A188-V192 WeakPolarHBondContact O-CG2 3.3Å; A188-V192 PolarHBondContact O-N 2.58Å; L190-V192 PolarHBondContact O-N 2.77Å; V192-L195 CarbonylContact O-C 3.55Å; V192-L195 WeakPolarHBondContact O-CA 3.24Å; V192-L195 WeakPolarHBondContact O-CB 3.25Å; V192-L195 PolarHBondContact O-N 3.2Å; V192-N196 PolarHBondContact O-N 3.39Å; V192-I202 HydrophobicContact CG1-CG2 3.45Å; V192-I202 VanDerWaalsContact CG1-CG2 3.45Å; V192-A206 HydrophobicContact CB-CB 4.17Å; V192-A206 HydrophobicContact CG1-CB 3.77Å; V192-A206 HydrophobicContact CG2-CB 4.27Å
193K63.3Low67.9Low141 Ų14176.7 Ų76.761%0.61340%0.399SS*.THydrogen-bonded Turntrans-53.5-44.5-179.3-164.5178.4179.7-176.40114.7P189 L190 L195 N196P189-K193 PolarHBondContact O-N 3.48Å; L190-K193 VanDerWaalsContact O-CB 3.29Å; L190-K193 WeakPolarHBondContact O-CB 3.44Å; L190-K193 PolarHBondContact O-N 2.74Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-N196 WeakPolarHBondContact O-CB 3.28Å; K193-N196 PolarHBondContact O-N 2.91Å
194P60.1Low67.3Low91 Ų9183.5 Ų83.559%0.59143%0.427SS*.THydrogen-bonded Turntrans-68.3-30.1173.225.4-34.7000113.1L190 M191 N196L190-P194 WeakPolarHBondContact O-CD 3.43Å; M191-P194 VanDerWaalsContact O-CD 3.3Å; M191-P194 WeakPolarHBondContact O-CD 3.44Å; M191-P194 WeakPolarHBondContact O-CG 2.95Å; P194-N196 VanDerWaalsContact C-N 3.34Å
195L58.6Low66.8Low67 Ų6780 Ų8035%0.35142%0.42SS..G310 helixtrans-76.5-18.4177.9-65.1168.8000113.2V192 K193 L197 R198 I202V192-L195 CarbonylContact O-C 3.55Å; V192-L195 WeakPolarHBondContact O-CA 3.24Å; V192-L195 WeakPolarHBondContact O-CB 3.25Å; V192-L195 PolarHBondContact O-N 3.2Å; K193-L195 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 3.18Å; L195-L197 VanDerWaalsContact O-N 3.14Å; L195-R198 WeakPolarHBondContact O-CB 3.49Å; L195-R198 PolarHBondContact O-N 3.36Å; L195-I202 HydrophobicContact CB-CD1 4.5Å; L195-I202 HydrophobicContact CB-CG2 4.22Å
196N56.5Low66.4Low66 Ų6679.5 Ų79.535%0.35342%0.421SS..G310 helixtrans-56.4-29.5176.6-84.6-7.7000112.7V192 K193 P194 R198 V203V192-N196 PolarHBondContact O-N 3.39Å; K193-N196 WeakPolarHBondContact O-CB 3.28Å; K193-N196 PolarHBondContact O-N 2.91Å; P194-N196 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 2.58Å; N196-V203 HydrophobicContact CB-CG2 3.82Å; N196-V203 VanDerWaalsContact CG-CG2 3.44Å; N196-V203 WeakPolarHBondContact OD1-CA 3.41Å; N196-V203 WeakPolarHBondContact OD1-CG2 3.49Å
197L60Low66Low166 Ų16683.9 Ų83.987%0.86944%0.44SS*.G310 helixtrans-68.7-22175.7-74.2159.3000112.5L195L195-L197 PolarHBondContact O-N 3.18Å; L195-L197 VanDerWaalsContact O-N 3.14Å
198R64.1Low65.6Low212 Ų21285.6 Ų85.680%0.845%0.449SS*.THydrogen-bonded Turntrans-89.7-28.8-176.2-79.7-175.5172.4179.8-2.6114.4L195 N196L195-R198 WeakPolarHBondContact O-CB 3.49Å; L195-R198 PolarHBondContact O-N 3.36Å; N196-R198 PolarHBondContact O-N 2.58Å
199S65.9Low65.4Low34 Ų3488.4 Ų88.424%0.23846%0.46CS..  trans-162.9131.9-177.5178.60000114.2V201 I202S199-V201 PolarHBondContact O-N 3.07Å; S199-V201 PolarHBondContact OG-N 3.18Å; S199-I202 PolarHBondContact O-N 2.88Å
200P69.7Low65.3Low107 Ų10790.7 Ų90.770%0.69547%0.467SS*.Hα-helixtrans-64.9-24.817427.2-34.2000113.2V203 K204P200-V203 WeakPolarHBondContact O-CB 3.47Å; P200-V203 PolarHBondContact O-N 3.36Å; P200-K204 PolarHBondContact O-N 3.4Å; P200-K204 VanDerWaalsContact O-N 3.09Å
201V72.7Confident65.2Low105 Ų10592.3 Ų92.364%0.63648%0.476SS*.Hα-helixtrans-66.3-42.3179-177.90000110.6S199 V203 K204 A205S199-V201 PolarHBondContact O-N 3.07Å; S199-V201 PolarHBondContact OG-N 3.18Å; V201-V203 VanDerWaalsContact C-N 3.32Å; V201-V203 PolarHBondContact O-N 2.93Å; V201-K204 PolarHBondContact O-N 3.38Å; V201-A205 WeakPolarHBondContact O-CB 3.34Å; V201-A205 PolarHBondContact O-N 3.25Å
202I67.8Low65.2Low60 Ų6090.2 Ų90.231%0.30847%0.467SS..Hα-helixtrans-63.3-41178.6-62.2175.5000110.3V192 L195 S199 K204 A205 A206V192-I202 HydrophobicContact CG1-CG2 3.45Å; V192-I202 VanDerWaalsContact CG1-CG2 3.45Å; L195-I202 HydrophobicContact CB-CD1 4.5Å; L195-I202 HydrophobicContact CB-CG2 4.22Å; S199-I202 PolarHBondContact O-N 2.88Å; I202-K204 VanDerWaalsContact C-N 3.34Å; I202-K204 PolarHBondContact O-N 2.94Å; I202-A205 PolarHBondContact O-N 2.95Å; I202-A206 WeakPolarHBondContact O-CB 3.28Å; I202-A206 PolarHBondContact O-N 2.84Å
203V65.1Low65.2Low34 Ų3489.7 Ų89.721%0.20646%0.462CS..Hα-helixtrans-59.8-46175.6-175.50000110.6N196 P200 V201 A206 K207N196-V203 HydrophobicContact CB-CG2 3.82Å; N196-V203 VanDerWaalsContact CG-CG2 3.44Å; N196-V203 WeakPolarHBondContact OD1-CA 3.41Å; N196-V203 WeakPolarHBondContact OD1-CG2 3.49Å; P200-V203 WeakPolarHBondContact O-CB 3.47Å; P200-V203 PolarHBondContact O-N 3.36Å; V201-V203 VanDerWaalsContact C-N 3.32Å; V201-V203 PolarHBondContact O-N 2.93Å; V203-A206 PolarHBondContact O-N 2.99Å; V203-K207 WeakPolarHBondContact O-CG 3.34Å; V203-K207 PolarHBondContact O-N 3.09Å
204K66.5Low65.1Low146 Ų14684.5 Ų84.564%0.63544%0.441SS*.Hα-helixtrans-66.3-44-179-166.8175.9-178.2-1800111.1P200 V201 I202 A206 K207 I208P200-K204 PolarHBondContact O-N 3.4Å; P200-K204 VanDerWaalsContact O-N 3.09Å; V201-K204 PolarHBondContact O-N 3.38Å; I202-K204 VanDerWaalsContact C-N 3.34Å; I202-K204 PolarHBondContact O-N 2.94Å; K204-A206 PolarHBondContact O-N 3.19Å; K204-K207 PolarHBondContact O-N 2.92Å; K204-I208 HydrophobicContact CG-CD1 4.21Å; K204-I208 WeakPolarHBondContact O-CG1 3.29Å; K204-I208 PolarHBondContact O-N 2.82Å
205A69.2Low65.2Low44 Ų4481.9 Ų81.936%0.36442%0.424SS..Hα-helixtrans-59.3-46.3175.400000111.6V201 I202 K207 I208 I209V201-A205 WeakPolarHBondContact O-CB 3.34Å; V201-A205 PolarHBondContact O-N 3.25Å; I202-A205 PolarHBondContact O-N 2.95Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.46Å; A205-I208 PolarHBondContact O-N 3.43Å; A205-I209 WeakPolarHBondContact O-CB 3.09Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 2.85Å
206A66.5Low65.6Low18 Ų1882 Ų8215%0.14942%0.424CS..Hα-helixtrans-62.1-38.8177.300000112.9V192 I202 V203 K204 H210V192-A206 HydrophobicContact CB-CB 4.17Å; V192-A206 HydrophobicContact CG1-CB 3.77Å; V192-A206 HydrophobicContact CG2-CB 4.27Å; I202-A206 WeakPolarHBondContact O-CB 3.28Å; I202-A206 PolarHBondContact O-N 2.84Å; V203-A206 PolarHBondContact O-N 2.99Å; K204-A206 PolarHBondContact O-N 3.19Å; A206-H210 VanDerWaalsContact O-CB 3.3Å; A206-H210 WeakPolarHBondContact O-CB 3.22Å; A206-H210 PolarHBondContact O-N 3.31Å
207K64.6Low66Low132 Ų13279.5 Ų79.557%0.57441%0.412SS*.Hα-helixtrans-63.9-42.4173.7-73.7177.9-178.9179.90112.2V203 K204 A205 H210 N211V203-K207 WeakPolarHBondContact O-CG 3.34Å; V203-K207 PolarHBondContact O-N 3.09Å; K204-K207 PolarHBondContact O-N 2.92Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.46Å; K207-H210 PolarHBondContact O-N 3.1Å; K207-N211 WeakPolarHBondContact O-CB 3.36Å; K207-N211 PolarHBondContact O-N 3.34Å; K207-N211 PolarHBondContact O-ND2 3.49Å
208I68.3Low66.1Low86 Ų8672.5 Ų72.544%0.44138%0.376SS..Hα-helixtrans-63.3-48.7177.2-68.4166.3000110.1K204 A205 H210 N211 I212K204-I208 HydrophobicContact CG-CD1 4.21Å; K204-I208 WeakPolarHBondContact O-CG1 3.29Å; K204-I208 PolarHBondContact O-N 2.82Å; A205-I208 PolarHBondContact O-N 3.43Å; I208-H210 VanDerWaalsContact C-N 3.3Å; I208-H210 PolarHBondContact O-N 3.39Å; I208-N211 PolarHBondContact O-N 2.88Å; I208-I212 HydrophobicContact CG2-CD1 3.52Å; I208-I212 HydrophobicContact CG2-CG1 4.31Å; I208-I212 WeakPolarHBondContact O-CB 3.48Å; I208-I212 WeakPolarHBondContact O-CG1 3.32Å; I208-I212 PolarHBondContact O-N 3.26Å
209I67.4Low66.2Low76 Ų7665.3 Ų65.339%0.3936%0.356SS..Hα-helixtrans-56.8-44.6176.3-71.6172000110.6F185 A205 I212 Y213F185-I209 HydrophobicContact CD1-CG2 3.67Å; F185-I209 HydrophobicContact CE1-CG2 3.59Å; A205-I209 WeakPolarHBondContact O-CB 3.09Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 2.85Å; I209-I212 PolarHBondContact O-N 3.49Å; I209-Y213 WeakPolarHBondContact O-CB 3.19Å; I209-Y213 PolarHBondContact O-N 2.93Å
210H64.9Low66.2Low94 Ų9466.5 Ų66.544%0.43536%0.359SS..Hα-helixtrans-67.3-36.4178.7-169.568.3000113.3A206 K207 I208 Y213A206-H210 VanDerWaalsContact O-CB 3.3Å; A206-H210 WeakPolarHBondContact O-CB 3.22Å; A206-H210 PolarHBondContact O-N 3.31Å; K207-H210 PolarHBondContact O-N 3.1Å; I208-H210 VanDerWaalsContact C-N 3.3Å; I208-H210 PolarHBondContact O-N 3.39Å; H210-Y213 WeakPolarHBondContact O-CB 3.36Å
211N65.5Low65.8Low105 Ų10564.1 Ų64.156%0.56134%0.344SS*.Hα-helixtrans-73.2-36.4176-78.7-25.3000112.5K207 I208 Y213 P215K207-N211 WeakPolarHBondContact O-CB 3.36Å; K207-N211 PolarHBondContact O-N 3.34Å; K207-N211 PolarHBondContact O-ND2 3.49Å; I208-N211 PolarHBondContact O-N 2.88Å; N211-Y213 VanDerWaalsContact C-N 3.33Å; N211-P215 WeakPolarHBondContact O-CD 3.34Å
212I68.1Low65.4Low84 Ų8461.9 Ų61.943%0.43133%0.326SS..Hα-helixtrans-76.9-22.6178.2-66.5173.5000111.3I208 I209 L214 P215 L216I208-I212 HydrophobicContact CG2-CD1 3.52Å; I208-I212 HydrophobicContact CG2-CG1 4.31Å; I208-I212 WeakPolarHBondContact O-CB 3.48Å; I208-I212 WeakPolarHBondContact O-CG1 3.32Å; I208-I212 PolarHBondContact O-N 3.26Å; I209-I212 PolarHBondContact O-N 3.49Å; I212-L214 VanDerWaalsContact C-N 3.33Å; I212-L214 PolarHBondContact O-N 2.82Å; I212-P215 WeakPolarHBondContact O-CD 3.46Å; I212-P215 WeakPolarHBondContact O-CG 3.33Å; I212-L216 HydrophobicContact CG2-CB 4.08Å; I212-L216 HydrophobicContact CG2-CD1 4.37Å; I212-L216 WeakPolarHBondContact O-CB 3.34Å; I212-L216 PolarHBondContact O-N 2.96Å
213Y65.3Low65Low16 Ų1665.1 Ų65.16%0.06334%0.338CS..Hα-helixtrans-51.8-47179.3163.8-118.3000113.3I182 F185 H186 I209 H210 N211 L216 S217I182-Y213 HydrophobicContact CB-CE2 4.46Å; I182-Y213 HydrophobicContact CG1-CE2 4.05Å; I182-Y213 WeakPolarHBondContact CG2-OH 3.26Å; F185-Y213 HydrophobicContact CB-CD1 4.31Å; F185-Y213 HydrophobicContact CB-CD2 3.19Å; F185-Y213 HydrophobicContact CB-CE2 3.55Å; F185-Y213 HydrophobicContact CB-CG 3.6Å; F185-Y213 AromaticContact CD1-CD2 3.93Å; F185-Y213 HydrophobicContact CD1-CD2 3.93Å; F185-Y213 HydrophobicContact CD1-CG 4.15Å; F185-Y213 AromaticContact CD2-CD2 3.25Å; F185-Y213 HydrophobicContact CD2-CD2 3.25Å; F185-Y213 AromaticContact CD2-CE2 3.75Å; F185-Y213 HydrophobicContact CD2-CE2 3.75Å; F185-Y213 HydrophobicContact CD2-CG 4.24Å; F185-Y213 HydrophobicContact CE2-CD2 4.09Å; F185-Y213 AromaticContact CG-CD2 3.19Å; F185-Y213 HydrophobicContact CG-CD2 3.19Å; F185-Y213 AromaticContact CG-CE2 3.89Å; F185-Y213 HydrophobicContact CG-CE2 3.89Å; F185-Y213 AromaticContact CG-CG 3.78Å; F185-Y213 HydrophobicContact CG-CG 3.78Å; H186-Y213 AromaticContact NE2-CE1 3.94Å; H186-Y213 AromaticContact NE2-CZ 3.89Å; H186-Y213 PolarHBondContact NE2-OH 3.28Å; I209-Y213 WeakPolarHBondContact O-CB 3.19Å; I209-Y213 PolarHBondContact O-N 2.93Å; H210-Y213 WeakPolarHBondContact O-CB 3.36Å; N211-Y213 VanDerWaalsContact C-N 3.33Å; Y213-L216 PolarHBondContact O-N 3.19Å; Y213-S217 VanDerWaalsContact O-CB 3.25Å; Y213-S217 WeakPolarHBondContact O-CB 3.28Å; Y213-S217 PolarHBondContact O-N 3.38Å; Y213-S217 PolarHBondContact O-OG 3.49Å; Y213-S217 VanDerWaalsContact O-OG 3.12Å
214L59.5Low64.7Low31 Ų3165.1 Ų65.116%0.16234%0.339CS..Hα-helixtrans-58.8-57.8-179.5-114.681.5000112.1L7 I212 L216 S217 T218L7-L214 HydrophobicContact CB-CD2 4.03Å; L7-L214 HydrophobicContact CD1-CD2 3.98Å; L7-L214 HydrophobicContact CD1-CG 4.29Å; L7-L214 HydrophobicContact CD2-CD2 3.3Å; L7-L214 HydrophobicContact CD2-CG 4.4Å; L7-L214 HydrophobicContact CG-CD2 3.93Å; I212-L214 VanDerWaalsContact C-N 3.33Å; I212-L214 PolarHBondContact O-N 2.82Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-N 2.99Å; L214-S217 PolarHBondContact O-OG 3.23Å; L214-T218 PolarHBondContact O-N 2.86Å; L214-T218 PolarHBondContact O-OG1 2.92Å
215P64.2Low64.3Low36 Ų3661.9 Ų61.923%0.23433%0.325CS..Hα-helixtrans-62.2-42.1176.820.6-29.2000111.5N211 I212 S217 T218 T219N211-P215 WeakPolarHBondContact O-CD 3.34Å; I212-P215 WeakPolarHBondContact O-CD 3.46Å; I212-P215 WeakPolarHBondContact O-CG 3.33Å; P215-S217 PolarHBondContact O-N 3.4Å; P215-T218 WeakPolarHBondContact CA-OG1 3.38Å; P215-T218 PolarHBondContact O-N 3.23Å; P215-T218 PolarHBondContact O-OG1 3.34Å; P215-T219 WeakPolarHBondContact O-CB 3.47Å; P215-T219 PolarHBondContact O-N 3.19Å; P215-T219 PolarHBondContact O-OG1 2.81Å
216L66.5Low63.7Low69 Ų6962.7 Ų62.736%0.36133%0.327SS..Hα-helixtrans-62.2-42.1-178.5-16284.8000112.3F185 I212 Y213 L214 T218 T219 L220F185-L216 HydrophobicContact CE1-CD2 4.48Å; F185-L216 HydrophobicContact CE2-CD2 3.83Å; F185-L216 HydrophobicContact CZ-CD2 3.45Å; F185-L216 VanDerWaalsContact CZ-CD2 3.45Å; I212-L216 HydrophobicContact CG2-CB 4.08Å; I212-L216 HydrophobicContact CG2-CD1 4.37Å; I212-L216 WeakPolarHBondContact O-CB 3.34Å; I212-L216 PolarHBondContact O-N 2.96Å; Y213-L216 PolarHBondContact O-N 3.19Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 3.35Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.45Å; L216-T219 PolarHBondContact O-N 3.42Å; L216-L220 HydrophobicContact CD2-CD1 4.39Å; L216-L220 HydrophobicContact CG-CD1 4.33Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 VanDerWaalsContact O-CG 3.25Å; L216-L220 WeakPolarHBondContact O-CG 3.26Å; L216-L220 PolarHBondContact O-N 3.3Å
217S64.2Low63.3Low14 Ų1468.7 Ų68.710%0.09835%0.35CS..Hα-helixtrans-62.1-41.6176.667.70000111.4Y213 L214 P215 L220 C221Y213-S217 VanDerWaalsContact O-CB 3.25Å; Y213-S217 WeakPolarHBondContact O-CB 3.28Å; Y213-S217 PolarHBondContact O-N 3.38Å; Y213-S217 PolarHBondContact O-OG 3.49Å; Y213-S217 VanDerWaalsContact O-OG 3.12Å; L214-S217 PolarHBondContact O-N 2.99Å; L214-S217 PolarHBondContact O-OG 3.23Å; P215-S217 PolarHBondContact O-N 3.4Å; S217-L220 PolarHBondContact O-N 3.37Å; S217-C221 PolarHBondContact O-N 3.22Å; S217-C221 VanDerWaalsContact O-N 3.07Å
218T63.2Low62.9Low20 Ų2065.4 Ų65.412%0.12334%0.338CS..Hα-helixtrans-66.6-42.4175.258.30000112S4 L7 L214 P215 L216 C221 F222S4-T218 WeakPolarHBondContact OG-CG2 3.48Å; L7-T218 HydrophobicContact CD1-CG2 4.27Å; L214-T218 PolarHBondContact O-N 2.86Å; L214-T218 PolarHBondContact O-OG1 2.92Å; P215-T218 WeakPolarHBondContact CA-OG1 3.38Å; P215-T218 PolarHBondContact O-N 3.23Å; P215-T218 PolarHBondContact O-OG1 3.34Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.45Å; T218-C221 WeakPolarHBondContact O-CB 2.83Å; T218-C221 PolarHBondContact O-N 3.22Å; T218-F222 WeakPolarHBondContact O-CD2 3.32Å; T218-F222 PolarHBondContact O-N 3.3Å; T218-F222 VanDerWaalsContact O-N 3.11Å
219T64.9Low62.4Low61 Ų6163.7 Ų63.737%0.37433%0.33SS..Hα-helixtrans-63-42.4176.9-55.80000111.4P215 L216 C221 F222 F223P215-T219 WeakPolarHBondContact O-CB 3.47Å; P215-T219 PolarHBondContact O-N 3.19Å; P215-T219 PolarHBondContact O-OG1 2.81Å; L216-T219 PolarHBondContact O-N 3.42Å; T219-C221 VanDerWaalsContact C-N 3.32Å; T219-C221 PolarHBondContact O-N 3Å; T219-F222 WeakPolarHBondContact O-CB 3.24Å; T219-F222 PolarHBondContact O-N 3.31Å; T219-F222 VanDerWaalsContact O-N 3.1Å; T219-F223 HydrophobicContact CG2-CD2 3.81Å; T219-F223 HydrophobicContact CG2-CE2 3.45Å; T219-F223 VanDerWaalsContact CG2-CE2 3.45Å; T219-F223 WeakPolarHBondContact O-CD2 3.29Å; T219-F223 PolarHBondContact O-N 2.87Å; T219-F223 VanDerWaalsContact O-N 3.12Å
220L66Low62Low59 Ų5961.8 Ų61.831%0.30932%0.323SS..Hα-helixtrans-59.6-42.4173.7-74.6169000111.1A181 L216 S217 F222 F223 V224A181-L220 HydrophobicContact CB-CD1 4.33Å; L216-L220 HydrophobicContact CD2-CD1 4.39Å; L216-L220 HydrophobicContact CG-CD1 4.33Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 VanDerWaalsContact O-CG 3.25Å; L216-L220 WeakPolarHBondContact O-CG 3.26Å; L216-L220 PolarHBondContact O-N 3.3Å; S217-L220 PolarHBondContact O-N 3.37Å; L220-F222 VanDerWaalsContact C-N 3.31Å; L220-F222 PolarHBondContact O-N 2.85Å; L220-F223 PolarHBondContact O-N 3.28Å; L220-V224 VanDerWaalsContact O-CB 3.24Å; L220-V224 WeakPolarHBondContact O-CB 3.37Å; L220-V224 WeakPolarHBondContact O-CG2 3.31Å; L220-V224 PolarHBondContact O-N 3.42Å
221C62.5Low61.9Low56 Ų5659.4 Ų59.438%0.37832%0.32SS..Hα-helixtrans-59.4-38.2173.7-78.40000113.1S217 T218 T219 H225S217-C221 PolarHBondContact O-N 3.22Å; S217-C221 VanDerWaalsContact O-N 3.07Å; T218-C221 WeakPolarHBondContact O-CB 2.83Å; T218-C221 PolarHBondContact O-N 3.22Å; T219-C221 VanDerWaalsContact C-N 3.32Å; T219-C221 PolarHBondContact O-N 3Å; C221-H225 WeakPolarHBondContact O-CB 3.42Å; C221-H225 PolarHBondContact O-N 3.5Å; C221-H225 VanDerWaalsContact O-N 3.12Å
222F62.4Low61.6Low58 Ų5855.8 Ų55.825%0.25430%0.301SS..Hα-helixtrans-65.5-40.9176.5-78.6-73.5000112.9T218 T219 L220 L228 L229 V232T218-F222 WeakPolarHBondContact O-CD2 3.32Å; T218-F222 PolarHBondContact O-N 3.3Å; T218-F222 VanDerWaalsContact O-N 3.11Å; T219-F222 WeakPolarHBondContact O-CB 3.24Å; T219-F222 PolarHBondContact O-N 3.31Å; T219-F222 VanDerWaalsContact O-N 3.1Å; L220-F222 VanDerWaalsContact C-N 3.31Å; L220-F222 PolarHBondContact O-N 2.85Å; F222-L228 HydrophobicContact CD1-CB 4.1Å; F222-L228 HydrophobicContact CD1-CD1 4.13Å; F222-L228 HydrophobicContact CD1-CD2 4.46Å; F222-L228 HydrophobicContact CD1-CG 4.47Å; F222-L228 HydrophobicContact CE1-CD1 4.43Å; F222-L228 HydrophobicContact CE1-CD2 4.37Å; F222-L229 PolarHBondContact O-N 2.97Å; F222-V232 HydrophobicContact CD1-CG2 4.02Å
223F60.9Low61.3Low128 Ų12855.5 Ų55.556%0.56130%0.298SS*.Hα-helixtrans-74.3-27.2-179.9-75.4-66.6000113.6T219 L220 L229T219-F223 HydrophobicContact CG2-CD2 3.81Å; T219-F223 HydrophobicContact CG2-CE2 3.45Å; T219-F223 VanDerWaalsContact CG2-CE2 3.45Å; T219-F223 WeakPolarHBondContact O-CD2 3.29Å; T219-F223 PolarHBondContact O-N 2.87Å; T219-F223 VanDerWaalsContact O-N 3.12Å; L220-F223 PolarHBondContact O-N 3.28Å; F223-L229 HydrophobicContact CD1-CD1 4.12Å
224V57.6Low61.1Low35 Ų3562.5 Ų62.521%0.21233%0.329CS..Hα-helixtrans-94.3-31.2-170.8172.40000112.9N174 I178 L220 P226N174-V224 HydrophobicContact CB-CG1 3.33Å; I178-V224 HydrophobicContact CD1-CB 3.75Å; I178-V224 HydrophobicContact CD1-CG1 3.55Å; I178-V224 HydrophobicContact CD1-CG2 4.03Å; I178-V224 HydrophobicContact CG1-CG1 4.37Å; I178-V224 HydrophobicContact CG1-CG2 4.28Å; L220-V224 VanDerWaalsContact O-CB 3.24Å; L220-V224 WeakPolarHBondContact O-CB 3.37Å; L220-V224 WeakPolarHBondContact O-CG2 3.31Å; L220-V224 PolarHBondContact O-N 3.42Å; V224-P226 WeakPolarHBondContact O-CD 3.38Å
225H58.3Low61.3Low77 Ų7767.5 Ų67.536%0.35636%0.355SS..SBendtrans-81115-179.8-166.7-85.6000109.9C221 F227 L228 L229C221-H225 WeakPolarHBondContact O-CB 3.42Å; C221-H225 PolarHBondContact O-N 3.5Å; C221-H225 VanDerWaalsContact O-N 3.12Å; H225-F227 VanDerWaalsContact C-N 3.26Å; H225-F227 AromaticContact CE1-CD2 3.69Å; H225-F227 PolarHBondContact O-N 3.28Å; H225-F227 VanDerWaalsContact O-N 3.13Å; H225-L228 HydrophobicContact CB-CB 4.04Å; H225-L228 HydrophobicContact CB-CD1 3.88Å; H225-L228 HydrophobicContact CB-CG 4.02Å; H225-L228 CarbonylContact O-C 3.17Å; H225-L228 WeakPolarHBondContact O-CA 3.47Å; H225-L228 PolarHBondContact O-N 3.05Å; H225-L229 PolarHBondContact O-N 2.87Å
226P57.4Low61.3Low61 Ų6169.3 Ų69.340%0.39636%0.36SS..Hα-helixtrans-60.1-33.5-169.621.8-32.9000113.5V224 S230V224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-S230 WeakPolarHBondContact O-CB 3.43Å; P226-S230 PolarHBondContact O-N 2.9Å; P226-S230 PolarHBondContact O-OG 3.23Å
227F58.4Low60.9Low145 Ų14568.5 Ų68.564%0.63636%0.363SS*.Hα-helixtrans-72.6-31.8174.7-67.4-83.4000113.3H225 S230 A231H225-F227 VanDerWaalsContact C-N 3.26Å; H225-F227 AromaticContact CE1-CD2 3.69Å; H225-F227 PolarHBondContact O-N 3.28Å; H225-F227 VanDerWaalsContact O-N 3.13Å; F227-S230 PolarHBondContact O-OG 3.36Å; F227-A231 WeakPolarHBondContact O-CB 3.38Å; F227-A231 PolarHBondContact O-N 2.88Å; F227-A231 VanDerWaalsContact O-N 3.11Å
228L54.5Low60.7Low63 Ų6375.1 Ų75.133%0.3340%0.397SS..Hα-helixtrans-77.9-39.9175.9-67.1176.8000109.7F222 H225 S230 A231 V232F222-L228 HydrophobicContact CD1-CB 4.1Å; F222-L228 HydrophobicContact CD1-CD1 4.13Å; F222-L228 HydrophobicContact CD1-CD2 4.46Å; F222-L228 HydrophobicContact CD1-CG 4.47Å; F222-L228 HydrophobicContact CE1-CD1 4.43Å; F222-L228 HydrophobicContact CE1-CD2 4.37Å; H225-L228 HydrophobicContact CB-CB 4.04Å; H225-L228 HydrophobicContact CB-CD1 3.88Å; H225-L228 HydrophobicContact CB-CG 4.02Å; H225-L228 CarbonylContact O-C 3.17Å; H225-L228 WeakPolarHBondContact O-CA 3.47Å; H225-L228 PolarHBondContact O-N 3.05Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 3.15Å; L228-A231 PolarHBondContact O-N 3.01Å; L228-V232 VanDerWaalsContact O-CB 3.26Å; L228-V232 WeakPolarHBondContact O-CB 3.02Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 3.33Å
229L59.3Low60.2Low50 Ų5082.1 Ų82.126%0.26242%0.421SS..Hα-helixtrans-58.5-42.7172.7-174.569.1000110.5F222 F223 H225 V232 Q233F222-L229 PolarHBondContact O-N 2.97Å; F223-L229 HydrophobicContact CD1-CD1 4.12Å; H225-L229 PolarHBondContact O-N 2.87Å; L229-V232 PolarHBondContact O-N 2.9Å; L229-Q233 HydrophobicContact CD1-CG 4.41Å; L229-Q233 HydrophobicContact CG-CG 4.26Å; L229-Q233 WeakPolarHBondContact O-CB 3.36Å; L229-Q233 WeakPolarHBondContact O-CG 3.46Å; L229-Q233 PolarHBondContact O-N 3.44Å
230S59.5Low59.8Low36 Ų3684 Ų8425%0.25244%0.437SS..Hα-helixtrans-67.5-37.3176.272.40000112.6P226 F227 L228 Q233 K234P226-S230 WeakPolarHBondContact O-CB 3.43Å; P226-S230 PolarHBondContact O-N 2.9Å; P226-S230 PolarHBondContact O-OG 3.23Å; F227-S230 PolarHBondContact O-OG 3.36Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 3.15Å; S230-Q233 PolarHBondContact O-N 3.4Å; S230-K234 WeakPolarHBondContact O-CB 3.02Å; S230-K234 VanDerWaalsContact O-CG 3.25Å; S230-K234 WeakPolarHBondContact O-CG 3.37Å; S230-K234 PolarHBondContact O-N 3.32Å
231A61.3Low59.3Low44 Ų4487.6 Ų87.636%0.36446%0.455SS..Hα-helixtrans-65.9-43.1174.100000112.2F227 L228 K234 L235F227-A231 WeakPolarHBondContact O-CB 3.38Å; F227-A231 PolarHBondContact O-N 2.88Å; F227-A231 VanDerWaalsContact O-N 3.11Å; L228-A231 PolarHBondContact O-N 3.01Å; A231-K234 PolarHBondContact O-N 2.94Å; A231-L235 WeakPolarHBondContact O-CB 3.27Å; A231-L235 WeakPolarHBondContact O-CG 3.5Å; A231-L235 PolarHBondContact O-N 3.25Å
232V59.4Low58.6Low28 Ų2888.3 Ų88.317%0.1746%0.455CS..Hα-helixtrans-62.9-47.9174.2167.10000109.9F222 L228 L229 K234 L235 F236F222-V232 HydrophobicContact CD1-CG2 4.02Å; L228-V232 VanDerWaalsContact O-CB 3.26Å; L228-V232 WeakPolarHBondContact O-CB 3.02Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 3.33Å; L229-V232 PolarHBondContact O-N 2.9Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 2.96Å; V232-L235 PolarHBondContact O-N 3.03Å; V232-F236 HydrophobicContact CG1-CD2 3.54Å; V232-F236 HydrophobicContact CG1-CE2 3.69Å; V232-F236 WeakPolarHBondContact O-CB 3.38Å; V232-F236 WeakPolarHBondContact O-CD2 3.23Å; V232-F236 PolarHBondContact O-N 3.07Å
233Q61.6Low57.9Low79 Ų7993.2 Ų93.237%0.36948%0.476SS..Hα-helixtrans-60.7-38.5175.3-77.3172.1-17.600111.7L229 S230 F236 A237L229-Q233 HydrophobicContact CD1-CG 4.41Å; L229-Q233 HydrophobicContact CG-CG 4.26Å; L229-Q233 WeakPolarHBondContact O-CB 3.36Å; L229-Q233 WeakPolarHBondContact O-CG 3.46Å; L229-Q233 PolarHBondContact O-N 3.44Å; S230-Q233 PolarHBondContact O-N 3.4Å; Q233-F236 CarbonylContact O-C 3.6Å; Q233-F236 PolarHBondContact O-N 3.27Å; Q233-A237 WeakPolarHBondContact O-CA 3.28Å; Q233-A237 WeakPolarHBondContact O-CB 3.12Å; Q233-A237 PolarHBondContact O-N 3.3Å
234K62.4Low57.5Low163 Ų16396.1 Ų96.171%0.70949%0.488SS*.Hα-helixtrans-66.5-45174.4-79.1177.4179.9-174.50112S230 A231 V232 F236 A237S230-K234 WeakPolarHBondContact O-CB 3.02Å; S230-K234 VanDerWaalsContact O-CG 3.25Å; S230-K234 WeakPolarHBondContact O-CG 3.37Å; S230-K234 PolarHBondContact O-N 3.32Å; A231-K234 PolarHBondContact O-N 2.94Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 2.96Å; K234-F236 VanDerWaalsContact C-N 3.26Å; K234-F236 PolarHBondContact O-N 3.08Å; K234-A237 PolarHBondContact O-N 3.32Å
235L63.1Low57.1Low135 Ų135102 Ų10271%0.70751%0.511SS*.Hα-helixtrans-59.5-40.5174.8-79.4163.4000111.4A231 V232A231-L235 WeakPolarHBondContact O-CB 3.27Å; A231-L235 WeakPolarHBondContact O-CG 3.5Å; A231-L235 PolarHBondContact O-N 3.25Å; V232-L235 PolarHBondContact O-N 3.03Å
236F63.9Low56.4Low75 Ų75104.2 Ų104.233%0.32952%0.522SS..Hα-helixtrans-91.8-3-179.9-69.7-63.8000114.8V232 Q233 K234 N238 W239 L242V232-F236 HydrophobicContact CG1-CD2 3.54Å; V232-F236 HydrophobicContact CG1-CE2 3.69Å; V232-F236 WeakPolarHBondContact O-CB 3.38Å; V232-F236 WeakPolarHBondContact O-CD2 3.23Å; V232-F236 PolarHBondContact O-N 3.07Å; Q233-F236 CarbonylContact O-C 3.6Å; Q233-F236 PolarHBondContact O-N 3.27Å; K234-F236 VanDerWaalsContact C-N 3.26Å; K234-F236 PolarHBondContact O-N 3.08Å; F236-N238 PolarHBondContact O-N 2.9Å; F236-W239 HydrophobicContact CD1-CB 4.45Å; F236-W239 HydrophobicContact CD1-CD2 4.09Å; F236-W239 AromaticContact CD1-CE3 3.47Å; F236-W239 HydrophobicContact CD1-CE3 3.47Å; F236-W239 VanDerWaalsContact CD1-CE3 3.47Å; F236-W239 HydrophobicContact CD1-CZ3 4.06Å; F236-W239 HydrophobicContact CE1-CD2 4.4Å; F236-W239 AromaticContact CE1-CE3 3.53Å; F236-W239 HydrophobicContact CE1-CE3 3.53Å; F236-W239 AromaticContact CE1-CZ3 3.6Å; F236-W239 HydrophobicContact CE1-CZ3 3.6Å; F236-W239 WeakPolarHBondContact O-CA 3.45Å; F236-W239 WeakPolarHBondContact O-CB 3.37Å; F236-W239 PolarHBondContact O-N 3.22Å; F236-W239 VanDerWaalsContact O-O 3.12Å; F236-L242 HydrophobicContact CB-CD1 3.38Å; F236-L242 HydrophobicContact CD1-CD1 4.3Å; F236-L242 HydrophobicContact CD2-CD1 4.21Å; F236-L242 HydrophobicContact CG-CD1 3.74Å
237A58.7Low55.9Low52 Ų52112 Ų11243%0.4354%0.543SS..Hα-helixtrans-63.9-27.8178.400000111.2Q233 K234 W239Q233-A237 WeakPolarHBondContact O-CA 3.28Å; Q233-A237 WeakPolarHBondContact O-CB 3.12Å; Q233-A237 PolarHBondContact O-N 3.3Å; K234-A237 PolarHBondContact O-N 3.32Å; A237-W239 VanDerWaalsContact C-N 3.28Å
238N58.5Low55.2Low153 Ų153112.4 Ų112.482%0.81855%0.552SS**THydrogen-bonded Turntrans-76.7-13.9172.5-69.7-7000112.9F236F236-N238 PolarHBondContact O-N 2.9Å
239W54.3Low54.7Low166 Ų166113.1 Ų113.163%0.62956%0.559SS**SBendtrans-91.7110.5172.9-91.19.6000110.3F236 A237 I241 L242F236-W239 HydrophobicContact CD1-CB 4.45Å; F236-W239 HydrophobicContact CD1-CD2 4.09Å; F236-W239 AromaticContact CD1-CE3 3.47Å; F236-W239 HydrophobicContact CD1-CE3 3.47Å; F236-W239 VanDerWaalsContact CD1-CE3 3.47Å; F236-W239 HydrophobicContact CD1-CZ3 4.06Å; F236-W239 HydrophobicContact CE1-CD2 4.4Å; F236-W239 AromaticContact CE1-CE3 3.53Å; F236-W239 HydrophobicContact CE1-CE3 3.53Å; F236-W239 AromaticContact CE1-CZ3 3.6Å; F236-W239 HydrophobicContact CE1-CZ3 3.6Å; F236-W239 WeakPolarHBondContact O-CA 3.45Å; F236-W239 WeakPolarHBondContact O-CB 3.37Å; F236-W239 PolarHBondContact O-N 3.22Å; F236-W239 VanDerWaalsContact O-O 3.12Å; A237-W239 VanDerWaalsContact C-N 3.28Å; W239-I241 PolarHBondContact O-N 2.98Å; W239-L242 PolarHBondContact O-N 2.01Å; W239-L242 VanDerWaalsContact O-N 3.1Å
240S55.6Low53.7Low101 Ų101115.2 Ų115.271%0.70658%0.578SS**G310 helixtrans-46.4-28.6-176.754.90000115L242 K243S240-L242 VanDerWaalsContact C-N 3.31Å; S240-L242 PolarHBondContact O-N 3.24Å; S240-K243 PolarHBondContact O-N 2.92Å
241I56.6Low52.9Low135 Ų135119.1 Ų119.169%0.69260%0.6SS**G310 helixtrans-65.3-30.4-176.4-57.5171000112.3W239W239-I241 PolarHBondContact O-N 2.98Å
242L47.9Very low51.6Low71 Ų71122.3 Ų122.337%0.37262%0.615SS.*G310 helixtrans-94-6.3-175.6-81.1161.2000114.8F236 W239 S240 K244 F245 H246F236-L242 HydrophobicContact CB-CD1 3.38Å; F236-L242 HydrophobicContact CD1-CD1 4.3Å; F236-L242 HydrophobicContact CD2-CD1 4.21Å; F236-L242 HydrophobicContact CG-CD1 3.74Å; W239-L242 PolarHBondContact O-N 2.01Å; W239-L242 VanDerWaalsContact O-N 3.1Å; S240-L242 VanDerWaalsContact C-N 3.31Å; S240-L242 PolarHBondContact O-N 3.24Å; L242-K244 PolarHBondContact O-N 3.34Å; L242-K244 VanDerWaalsContact O-N 3.13Å; L242-F245 HydrophobicContact CD2-CB 4.07Å; L242-F245 HydrophobicContact CD2-CD2 3.86Å; L242-F245 HydrophobicContact CD2-CG 4.2Å; L242-F245 PolarHBondContact O-N 2.9Å; L242-H246 PolarHBondContact O-N 3.27Å
243K47.1Very low50.4Low160 Ų160129 Ų12970%0.69664%0.638SS**Hα-helixtrans-55.6-29.7169.9-94.2-176.4176.8178.30112.4S240 H246S240-K243 PolarHBondContact O-N 2.92Å; K243-H246 PolarHBondContact O-N 2.91Å
244K52.3Low48.7Very low189 Ų189132.9 Ų132.982%0.82266%0.66SS**Hα-helixtrans-66.3-36.2174.8-102.1-178.5176.3179.10113.3L242L242-K244 PolarHBondContact O-N 3.34Å; L242-K244 VanDerWaalsContact O-N 3.13Å
245F49.6Very low47.2Very low159 Ų159131.4 Ų131.470%0.69769%0.69SS**Hα-helixtrans-77.1-25.3177.9-87.7-85.2000112.9L242 R247 N248 T249L242-F245 HydrophobicContact CD2-CB 4.07Å; L242-F245 HydrophobicContact CD2-CD2 3.86Å; L242-F245 HydrophobicContact CD2-CG 4.2Å; L242-F245 PolarHBondContact O-N 2.9Å; F245-R247 PolarHBondContact O-N 2.93Å; F245-N248 PolarHBondContact O-N 3.47Å; F245-T249 PolarHBondContact O-OG1 3.42Å
246H44Very low46.4Very low124 Ų124131.2 Ų131.257%0.57469%0.69SS**Hα-helixtrans-63.7-26179.1-154.7-51.3000112.9L242 K243 N248 T249L242-H246 PolarHBondContact O-N 3.27Å; K243-H246 PolarHBondContact O-N 2.91Å; H246-N248 VanDerWaalsContact C-N 3.29Å; H246-N248 PolarHBondContact O-N 2.81Å; H246-T249 PolarHBondContact O-N 3.02Å
247R45.8Very low45.5Very low225 Ų225134.2 Ų134.285%0.84971%0.709SS**THydrogen-bonded Turntrans-69.2-22-175.1-125.6178.5176.5179.1-1.8114.3F245F245-R247 PolarHBondContact O-N 2.93Å
248N44.5Very low44.8Very low153 Ų153138.7 Ų138.782%0.81872%0.724SS**THydrogen-bonded Turntrans-104.10.8-178.5-79.26.9000114.6F245 H246F245-N248 PolarHBondContact O-N 3.47Å; H246-N248 VanDerWaalsContact C-N 3.29Å; H246-N248 PolarHBondContact O-N 2.81Å
249T42.6Very low44Very low77 Ų77137.9 Ų137.947%0.47272%0.719SS.*  trans-124.738.8-177.948.90000112.2F245 H246 V251F245-T249 PolarHBondContact O-OG1 3.42Å; H246-T249 PolarHBondContact O-N 3.02Å; T249-V251 PolarHBondContact O-N 2.7Å
250S38.4Very low43.3Very low94 Ų94136.1 Ų136.166%0.65772%0.724SS**  trans-72.966.6161.561.80000110V252S250-V252 VanDerWaalsContact C-N 3.33Å; S250-V252 PolarHBondContact O-N 3.48Å
251V42.3Very low42.5Very low118 Ų118138.5 Ų138.572%0.71573%0.725SS**  trans-77.999.8155.7-179.10000104.8T249 Y253T249-V251 PolarHBondContact O-N 2.7Å; V251-Y253 PolarHBondContact O-N 3.33Å
252V34.8Very low41.5Very low112 Ų112138.7 Ų138.768%0.67973%0.728SS**  trans-50.2108.1176.71740000108.8S250 I254S250-V252 VanDerWaalsContact C-N 3.33Å; S250-V252 PolarHBondContact O-N 3.48Å; V252-I254 HydrophobicContact CG1-CD1 4.01Å; V252-I254 HydrophobicContact CG1-CG1 3.86Å; V252-I254 PolarHBondContact O-N 2.84Å
253Y33.4Very low41Very low167 Ų167143.9 Ų143.966%0.65576%0.755SS**  trans-77.5104.2165.6-92-99000107.2V251V251-Y253 PolarHBondContact O-N 3.33Å
254I27.7Very low40.5Very low162 Ų162142.6 Ų142.683%0.83176%0.76SS**  trans-103.8114.8156.7-68.5163.4000106V252V252-I254 HydrophobicContact CG1-CD1 4.01Å; V252-I254 HydrophobicContact CG1-CG1 3.86Å; V252-I254 PolarHBondContact O-N 2.84Å
255G30.6Very low39.4Very low131 Ų131138.4 Ų138.4100%1.35175%0.754SS**  trans121.40179.300000113.2

Retrieved 255 of 255 residues in 145.6 ms (Link to these results)

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