A0A060WIH4_ONCMY Loading...

Derlin

Functional component of endoplasmic reticulum-associated degradation (ERAD) for misfolded lumenal proteins. May act by forming a channel that allows the retrotranslocation of misfolded proteins into the cytosol where they are ubiquitinated and degraded by the proteasome.

AlphaFold DB , UniProt , Accession A0A060WIH4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene derl3, Length 244 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
1M48.3Very low63.9Low247 Ų247126.6 Ų126.6100%1.21764%0.643SS**  056.40-69.5-174.4-82.300110.7
2A48.7Very low65Low103 Ų103117.9 Ų117.985%0.85160%0.599SS**  trans-121.832.3-178.700000111.7
3H56.1Low66.1Low151 Ų151110.5 Ų110.570%0.69956%0.563SS**  trans-102.84177.2-87.9-69.3000113.6Q7H3-Q7 WeakPolarHBondContact O-CB 3.19Å; H3-Q7 PolarHBondContact O-OE1 3.46Å
4S63.5Low67.1Low64 Ų64106.9 Ų106.945%0.44855%0.553SS.*Hα-helixtrans-78.1-55.3-162.5-129.30000114.9E8S4-E8 WeakPolarHBondContact O-CB 3.36Å; S4-E8 WeakPolarHBondContact O-CG 3.41Å; S4-E8 PolarHBondContact O-N 3.01Å; S4-E8 VanDerWaalsContact O-N 3.11Å; S4-E8 PolarHBondContact OG-OE1 3.11Å
5F64.8Low68.1Low170 Ų170101.2 Ų101.275%0.74653%0.525SS*.Hα-helixtrans-83.1-41.8-163.4-63.7-67.4000114.7Q7 E8 Y9F5-Q7 VanDerWaalsContact C-N 3.28Å; F5-Q7 PolarHBondContact O-N 3.39Å; F5-E8 PolarHBondContact O-N 3.18Å; F5-Y9 VanDerWaalsContact O-CB 3.31Å; F5-Y9 WeakPolarHBondContact O-CB 3.37Å; F5-Y9 PolarHBondContact O-N 3.15Å
6T67.5Low69.1Low99 Ų9994.9 Ų94.961%0.60749%0.492SS*.Hα-helixtrans-65.3-37.9178.9-53.50000110.6Y9 F10T6-Y9 PolarHBondContact O-N 2.93Å; T6-F10 HydrophobicContact CG2-CD2 3.69Å; T6-F10 HydrophobicContact CG2-CE2 3.41Å; T6-F10 VanDerWaalsContact CG2-CE2 3.41Å; T6-F10 WeakPolarHBondContact O-CD2 3.45Å; T6-F10 PolarHBondContact O-N 2.91Å
7Q68.5Low70.1Confident105 Ų10592.6 Ų92.649%0.49148%0.476SS..Hα-helixtrans-72.9-41.4-179.9-144.1168.15.200111.3H3 F5 Y9 F10 Q11H3-Q7 WeakPolarHBondContact O-CB 3.19Å; H3-Q7 PolarHBondContact O-OE1 3.46Å; F5-Q7 VanDerWaalsContact C-N 3.28Å; F5-Q7 PolarHBondContact O-N 3.39Å; Q7-Y9 VanDerWaalsContact C-N 3.3Å; Q7-Y9 PolarHBondContact O-N 3.28Å; Q7-F10 PolarHBondContact O-N 3.47Å; Q7-Q11 VanDerWaalsContact O-CG 3.31Å; Q7-Q11 WeakPolarHBondContact O-CG 3.35Å; Q7-Q11 PolarHBondContact O-N 3.42Å
8E68.1Low71Confident100 Ų10090.7 Ų90.747%0.46748%0.475SS..Hα-helixtrans-59.1-39.9169.3-79.2169.6-153.200112S4 F5 Q11 I12S4-E8 WeakPolarHBondContact O-CB 3.36Å; S4-E8 WeakPolarHBondContact O-CG 3.41Å; S4-E8 PolarHBondContact O-N 3.01Å; S4-E8 VanDerWaalsContact O-N 3.11Å; S4-E8 PolarHBondContact OG-OE1 3.11Å; F5-E8 PolarHBondContact O-N 3.18Å; E8-Q11 WeakPolarHBondContact O-CB 3.42Å; E8-Q11 PolarHBondContact O-N 3.37Å; E8-I12 WeakPolarHBondContact O-CG1 3.15Å; E8-I12 PolarHBondContact O-N 3.16Å
9Y69.7Low71.7Confident93 Ų9387.4 Ų87.437%0.36546%0.456SS..Hα-helixtrans-67.2-36.6176.9-174.9-103.9000112.8F5 T6 Q7 Q11 I12 R17 T21F5-Y9 VanDerWaalsContact O-CB 3.31Å; F5-Y9 WeakPolarHBondContact O-CB 3.37Å; F5-Y9 PolarHBondContact O-N 3.15Å; T6-Y9 PolarHBondContact O-N 2.93Å; Q7-Y9 VanDerWaalsContact C-N 3.3Å; Q7-Y9 PolarHBondContact O-N 3.28Å; Y9-Q11 VanDerWaalsContact C-N 3.32Å; Y9-I12 HydrophobicContact CD2-CD1 4.16Å; Y9-I12 PolarHBondContact O-N 3.01Å; Y9-R17 HydrophobicContact CD1-CG 4.47Å; Y9-R17 HydrophobicContact CD2-CG 4.08Å; Y9-R17 HydrophobicContact CE1-CG 3.87Å; Y9-R17 HydrophobicContact CE2-CG 3.39Å; Y9-R17 WeakPolarHBondContact O-CD 3.38Å; Y9-R17 PolarHBondContact O-NH1 3.42Å; Y9-R17 WeakPolarHBondContact OH-CG 3.49Å; Y9-T21 HydrophobicContact CE2-CG2 3.6Å; Y9-T21 WeakPolarHBondContact OH-CG2 3.49Å
10F73.3Confident72.5Confident138 Ų13884.1 Ų84.161%0.60544%0.44SS*.Hα-helixtrans-74.1-21.4174.9-77.8-63.8000113.7T6 Q7 I12T6-F10 HydrophobicContact CG2-CD2 3.69Å; T6-F10 HydrophobicContact CG2-CE2 3.41Å; T6-F10 VanDerWaalsContact CG2-CE2 3.41Å; T6-F10 WeakPolarHBondContact O-CD2 3.45Å; T6-F10 PolarHBondContact O-N 2.91Å; Q7-F10 PolarHBondContact O-N 3.47Å; F10-I12 VanDerWaalsContact C-N 3.27Å
11Q74.1Confident73.2Confident123 Ų12382.1 Ų82.158%0.57543%0.432SS*.Hα-helixtrans-74.2-17.2171.2-72.517311.100113.1Q7 E8 Y9Q7-Q11 VanDerWaalsContact O-CG 3.31Å; Q7-Q11 WeakPolarHBondContact O-CG 3.35Å; Q7-Q11 PolarHBondContact O-N 3.42Å; E8-Q11 WeakPolarHBondContact O-CB 3.42Å; E8-Q11 PolarHBondContact O-N 3.37Å; Y9-Q11 VanDerWaalsContact C-N 3.32Å
12I77.1Confident75Confident22 Ų2271.8 Ų71.811%0.11339%0.386CS..SBendtrans-72.4132.1174.8-55.6168000108.4E8 Y9 F10 T16 R17 Y78E8-I12 WeakPolarHBondContact O-CG1 3.15Å; E8-I12 PolarHBondContact O-N 3.16Å; Y9-I12 HydrophobicContact CD2-CD1 4.16Å; Y9-I12 PolarHBondContact O-N 3.01Å; F10-I12 VanDerWaalsContact C-N 3.27Å; I12-T16 HydrophobicContact CG2-CG2 3.93Å; I12-R17 HydrophobicContact CB-CB 4.07Å; I12-R17 HydrophobicContact CB-CG 4.39Å; I12-R17 HydrophobicContact CG2-CB 3.71Å; I12-R17 HydrophobicContact CG2-CG 4.45Å; I12-Y78 HydrophobicContact CD1-CE2 3.76Å; I12-Y78 HydrophobicContact CG1-CE2 3.99Å; I12-Y78 HydrophobicContact CG2-CE2 3.84Å
13P79.8Confident76.8Confident21 Ų2166.9 Ų66.914%0.13635%0.345CS..  trans-52.9147.7173.5-26.434000113.1V15 T16 R17 R82 E85 E86P13-V15 PolarHBondContact O-N 3.23Å; P13-T16 PolarHBondContact O-N 2.94Å; P13-R17 WeakPolarHBondContact O-CB 3.17Å; P13-R17 PolarHBondContact O-N 3.03Å; P13-R82 HydrophobicContact CG-CG 4.23Å; P13-E85 HydrophobicContact CB-CB 4.06Å; P13-E85 HydrophobicContact CB-CG 3.63Å; P13-E85 WeakPolarHBondContact CB-OE1 3.35Å; P13-E85 VanDerWaalsContact CB-OE2 3.23Å; P13-E85 WeakPolarHBondContact CB-OE2 3.26Å; P13-E85 HydrophobicContact CG-CB 4.35Å; P13-E85 HydrophobicContact CG-CG 4.37Å; P13-E86 WeakPolarHBondContact CD-OE1 2.77Å; P13-E86 HydrophobicContact CG-CG 3.4Å; P13-E86 VanDerWaalsContact CG-CG 3.4Å
14S79.6Confident78.2Confident60 Ų6063 Ų6342%0.4233%0.332SS..Hα-helixtrans-58-43.5-167.964.90000113.9A18 E85S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.95Å; S14-A18 VanDerWaalsContact O-N 3.08Å; S14-E85 PolarHBondContact N-OE1 2.89Å
15V81.9Confident79.3Confident22 Ų2265.7 Ų65.713%0.13334%0.341CS..Hα-helixtrans-78-45.3-174.5-176.30000110.1P13 R17 A18 Y19 E85 F96 V97P13-V15 PolarHBondContact O-N 3.23Å; V15-R17 VanDerWaalsContact C-N 3.27Å; V15-R17 PolarHBondContact O-N 3.06Å; V15-A18 PolarHBondContact O-N 3.34Å; V15-Y19 WeakPolarHBondContact O-CB 3.31Å; V15-Y19 PolarHBondContact O-N 3.47Å; V15-E85 WeakPolarHBondContact CB-OE1 3.4Å; V15-E85 PolarHBondContact N-OE1 3.34Å; V15-F96 HydrophobicContact CB-CD1 3.78Å; V15-F96 HydrophobicContact CB-CE1 3.73Å; V15-F96 HydrophobicContact CG1-CD1 3.69Å; V15-F96 HydrophobicContact CG1-CE1 3.53Å; V15-F96 HydrophobicContact CG2-CD1 4.17Å; V15-V97 HydrophobicContact CG1-CG2 4.36Å; V15-V97 HydrophobicContact CG2-CG2 3.84Å
16T84.6Confident80.2Confident0 Ų058.6 Ų58.60%031%0.311CS..Hα-helixtrans-55.3-46174.3-63.30000110.8I12 P13 Y19 T20 Y78 C81 R82 E85I12-T16 HydrophobicContact CG2-CG2 3.93Å; P13-T16 PolarHBondContact O-N 2.94Å; T16-Y19 PolarHBondContact O-N 3.01Å; T16-T20 WeakPolarHBondContact O-CB 3.36Å; T16-T20 PolarHBondContact O-N 3.02Å; T16-T20 PolarHBondContact O-OG1 3.15Å; T16-T20 VanDerWaalsContact O-OG1 3.06Å; T16-Y78 HydrophobicContact CG2-CD2 3.96Å; T16-Y78 HydrophobicContact CG2-CE2 4.27Å; T16-C81 HydrophobicContact CG2-CB 3.61Å; T16-C81 VanDerWaalsContact OG1-C 3.28Å; T16-C81 WeakPolarHBondContact OG1-CB 3.49Å; T16-C81 PolarHBondContact OG1-O 3.03Å; T16-R82 HydrophobicContact CG2-CB 4.13Å; T16-R82 PolarHBondContact OG1-N 3.2Å; T16-E85 VanDerWaalsContact CB-OE2 3.27Å; T16-E85 WeakPolarHBondContact CB-OE2 3.34Å; T16-E85 PolarHBondContact N-OE2 3.2Å; T16-E85 PolarHBondContact OG1-OE2 3.12Å
17R85.6Confident81Confident57 Ų5754 Ų5422%0.21528%0.283CS..Hα-helixtrans-62.5-50.5179.3-173.5173.973.3-158.2-5112Y9 I12 P13 V15 Y19 T21Y9-R17 HydrophobicContact CD1-CG 4.47Å; Y9-R17 HydrophobicContact CD2-CG 4.08Å; Y9-R17 HydrophobicContact CE1-CG 3.87Å; Y9-R17 HydrophobicContact CE2-CG 3.39Å; Y9-R17 WeakPolarHBondContact O-CD 3.38Å; Y9-R17 PolarHBondContact O-NH1 3.42Å; Y9-R17 WeakPolarHBondContact OH-CG 3.49Å; I12-R17 HydrophobicContact CB-CB 4.07Å; I12-R17 HydrophobicContact CB-CG 4.39Å; I12-R17 HydrophobicContact CG2-CB 3.71Å; I12-R17 HydrophobicContact CG2-CG 4.45Å; P13-R17 WeakPolarHBondContact O-CB 3.17Å; P13-R17 PolarHBondContact O-N 3.03Å; V15-R17 VanDerWaalsContact C-N 3.27Å; V15-R17 PolarHBondContact O-N 3.06Å; R17-Y19 VanDerWaalsContact C-N 3.31Å; R17-Y19 PolarHBondContact O-N 2.94Å; R17-T21 WeakPolarHBondContact O-CB 3.41Å; R17-T21 WeakPolarHBondContact O-CG2 3.22Å; R17-T21 PolarHBondContact O-N 3.24Å; R17-T21 PolarHBondContact O-OG1 2.86Å
18A86.1Confident81.7Confident57 Ų5750.8 Ų50.847%0.47127%0.274SS..Hα-helixtrans-60.5-42.6178.400000111.4S14 V15 T21 A22S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.95Å; S14-A18 VanDerWaalsContact O-N 3.08Å; V15-A18 PolarHBondContact O-N 3.34Å; A18-T21 PolarHBondContact O-OG1 3.1Å; A18-T21 VanDerWaalsContact O-OG1 3.05Å; A18-A22 VanDerWaalsContact O-CB 3.22Å; A18-A22 WeakPolarHBondContact O-CB 3.25Å; A18-A22 PolarHBondContact O-N 3.04Å
19Y86.1Confident82.4Confident28 Ų2847.1 Ų47.111%0.1126%0.261CS..Hα-helixtrans-67.9-51.8-179.4-168.4-108.9000112.2V15 T16 R17 T21 A22 C23 F60 L61 L77 F100 F123V15-Y19 WeakPolarHBondContact O-CB 3.31Å; V15-Y19 PolarHBondContact O-N 3.47Å; T16-Y19 PolarHBondContact O-N 3.01Å; R17-Y19 VanDerWaalsContact C-N 3.31Å; R17-Y19 PolarHBondContact O-N 2.94Å; Y19-T21 VanDerWaalsContact C-N 3.32Å; Y19-T21 PolarHBondContact O-N 3.21Å; Y19-A22 PolarHBondContact O-N 3.31Å; Y19-C23 PolarHBondContact O-N 2.93Å; Y19-C23 PolarHBondContact O-SG 3.15Å; Y19-F60 PolarHBondContact OH-O 3.06Å; Y19-F60 VanDerWaalsContact OH-O 3.12Å; Y19-L61 HydrophobicContact CD2-CD2 4.08Å; Y19-L61 HydrophobicContact CE2-CD2 3.86Å; Y19-L77 HydrophobicContact CD1-CD1 3.91Å; Y19-L77 HydrophobicContact CD1-CD2 3.7Å; Y19-L77 HydrophobicContact CD1-CG 4.08Å; Y19-L77 HydrophobicContact CE1-CD1 3.46Å; Y19-L77 VanDerWaalsContact CE1-CD1 3.46Å; Y19-L77 HydrophobicContact CE1-CD2 3.47Å; Y19-L77 VanDerWaalsContact CE1-CD2 3.47Å; Y19-L77 HydrophobicContact CE1-CG 3.93Å; Y19-F100 HydrophobicContact CD1-CE1 4.12Å; Y19-F100 HydrophobicContact CD2-CD1 4.5Å; Y19-F100 AromaticContact CD2-CE1 3.98Å; Y19-F100 HydrophobicContact CD2-CE1 3.98Å; Y19-F100 HydrophobicContact CE1-CE1 4.41Å; Y19-F100 HydrophobicContact CE2-CE1 4.27Å; Y19-F100 AromaticContact CG-CE1 3.9Å; Y19-F100 HydrophobicContact CG-CE1 3.9Å; Y19-F123 HydrophobicContact CE1-CD1 4.19Å; Y19-F123 HydrophobicContact CE1-CE1 4.18Å; Y19-F123 HydrophobicContact CE2-CE1 4.48Å; Y19-F123 AromaticContact CZ-CD1 3.89Å; Y19-F123 AromaticContact CZ-CE1 3.91Å; Y19-F123 WeakPolarHBondContact OH-CD1 3.24Å
20T86.3Confident82.9Confident21 Ų2143.6 Ų43.613%0.12925%0.249CC..Hα-helixtrans-61.7-40.6179.9-59.20000111.6T16 C23 V24 I74 Y78T16-T20 WeakPolarHBondContact O-CB 3.36Å; T16-T20 PolarHBondContact O-N 3.02Å; T16-T20 PolarHBondContact O-OG1 3.15Å; T16-T20 VanDerWaalsContact O-OG1 3.06Å; T20-C23 PolarHBondContact O-N 2.97Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.02Å; T20-I74 HydrophobicContact CG2-CD1 4.13Å; T20-I74 HydrophobicContact CG2-CG1 4.13Å; T20-Y78 HydrophobicContact CG2-CD2 4.34Å
21T86.8Confident83.2Confident44 Ų4441.9 Ų41.927%0.2724%0.243SC..Hα-helixtrans-66.6-42175.949.60000112.5Y9 R17 A18 Y19 C23 V24 L25Y9-T21 HydrophobicContact CE2-CG2 3.6Å; Y9-T21 WeakPolarHBondContact OH-CG2 3.49Å; R17-T21 WeakPolarHBondContact O-CB 3.41Å; R17-T21 WeakPolarHBondContact O-CG2 3.22Å; R17-T21 PolarHBondContact O-N 3.24Å; R17-T21 PolarHBondContact O-OG1 2.86Å; A18-T21 PolarHBondContact O-OG1 3.1Å; A18-T21 VanDerWaalsContact O-OG1 3.05Å; Y19-T21 VanDerWaalsContact C-N 3.32Å; Y19-T21 PolarHBondContact O-N 3.21Å; T21-C23 VanDerWaalsContact C-N 3.27Å; T21-C23 PolarHBondContact O-N 3.23Å; T21-V24 PolarHBondContact O-N 3.11Å; T21-L25 VanDerWaalsContact O-CB 3.31Å; T21-L25 WeakPolarHBondContact O-CB 3.33Å; T21-L25 VanDerWaalsContact O-CG 3.24Å; T21-L25 WeakPolarHBondContact O-CG 3.18Å; T21-L25 PolarHBondContact O-N 3.36Å
22A86.8Confident83.5Confident30 Ų3042.3 Ų42.325%0.24825%0.249CC..Hα-helixtrans-59.8-38.7174.400000111.9A18 Y19 T26 L61A18-A22 VanDerWaalsContact O-CB 3.22Å; A18-A22 WeakPolarHBondContact O-CB 3.25Å; A18-A22 PolarHBondContact O-N 3.04Å; Y19-A22 PolarHBondContact O-N 3.31Å; A22-T26 VanDerWaalsContact O-CB 3.25Å; A22-T26 WeakPolarHBondContact O-CB 3.39Å; A22-T26 PolarHBondContact O-N 3.34Å; A22-T26 PolarHBondContact O-OG1 2.86Å; A22-L61 HydrophobicContact CB-CD1 4.31Å; A22-L61 HydrophobicContact CB-CD2 3.46Å; A22-L61 VanDerWaalsContact CB-CD2 3.46Å
23C85.9Confident83.5Confident0 Ų049.5 Ų49.50%028%0.282CS..Hα-helixtrans-63.9-49.1176.2-61.80000111.7Y19 T20 T21 T26 T27 L61 F63 I74Y19-C23 PolarHBondContact O-N 2.93Å; Y19-C23 PolarHBondContact O-SG 3.15Å; T20-C23 PolarHBondContact O-N 2.97Å; T21-C23 VanDerWaalsContact C-N 3.27Å; T21-C23 PolarHBondContact O-N 3.23Å; C23-T26 PolarHBondContact O-N 3.49Å; C23-T27 PolarHBondContact O-N 2.9Å; C23-T27 PolarHBondContact O-OG1 3.05Å; C23-L61 WeakPolarHBondContact CA-O 3.43Å; C23-F63 HydrophobicContact CB-CD2 4.21Å; C23-F63 HydrophobicContact CB-CE2 4.01Å; C23-F63 VanDerWaalsContact SG-CE2 3.52Å; C23-I74 HydrophobicContact CB-CD1 3.55Å
24V86.4Confident83.2Confident70 Ų7053.6 Ų53.642%0.42431%0.306SS..Hα-helixtrans-63.2-44.2179.2173.40000111.3T20 T21 T27 A28 I74T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.02Å; T21-V24 PolarHBondContact O-N 3.11Å; V24-T27 PolarHBondContact O-N 2.67Å; V24-A28 WeakPolarHBondContact O-CB 3.12Å; V24-A28 PolarHBondContact O-N 2.91Å; V24-I74 HydrophobicContact CG2-CD1 4.17Å; V24-I74 HydrophobicContact CG2-CG1 4.13Å
25L86.8Confident82.7Confident120 Ų12053.5 Ų53.563%0.62830%0.3SS*.Hα-helixtrans-63.1-42.6177.6-73.4172.6000111.8T21 A28 A29T21-L25 VanDerWaalsContact O-CB 3.31Å; T21-L25 WeakPolarHBondContact O-CB 3.33Å; T21-L25 VanDerWaalsContact O-CG 3.24Å; T21-L25 WeakPolarHBondContact O-CG 3.18Å; T21-L25 PolarHBondContact O-N 3.36Å; L25-A28 PolarHBondContact O-N 2.87Å; L25-A29 WeakPolarHBondContact O-CB 3.24Å; L25-A29 PolarHBondContact O-N 3.35Å
26T82.9Confident82Confident21 Ų2155.6 Ų55.613%0.12931%0.313CS..Hα-helixtrans-63.1-46.4178.6-58.90000110.7A22 C23 A28 A29 V30 L40 L61A22-T26 VanDerWaalsContact O-CB 3.25Å; A22-T26 WeakPolarHBondContact O-CB 3.39Å; A22-T26 PolarHBondContact O-N 3.34Å; A22-T26 PolarHBondContact O-OG1 2.86Å; C23-T26 PolarHBondContact O-N 3.49Å; T26-A28 PolarHBondContact O-N 3.1Å; T26-A29 PolarHBondContact O-N 3.42Å; T26-V30 WeakPolarHBondContact O-CG2 3.38Å; T26-V30 PolarHBondContact O-N 2.69Å; T26-V30 VanDerWaalsContact O-N 3.1Å; T26-L40 HydrophobicContact CG2-CD2 3.43Å; T26-L40 VanDerWaalsContact CG2-CD2 3.43Å; T26-L61 HydrophobicContact CG2-CB 4.25Å
27T83.8Confident81Confident2 Ų258.4 Ų58.41%0.01233%0.332CS..Hα-helixtrans-65.9-38.7177.3-60.80000112.2C23 V24 V30 Q31 L66 F70C23-T27 PolarHBondContact O-N 2.9Å; C23-T27 PolarHBondContact O-OG1 3.05Å; V24-T27 PolarHBondContact O-N 2.67Å; T27-V30 PolarHBondContact O-N 3.44Å; T27-Q31 PolarHBondContact O-N 3.29Å; T27-L66 HydrophobicContact CG2-CD2 3.4Å; T27-L66 HydrophobicContact CG2-CG 3.82Å; T27-F70 HydrophobicContact CG2-CD2 3.97Å; T27-F70 HydrophobicContact CG2-CE2 3.73Å; T27-F70 HydrophobicContact CG2-CG 4.5Å; T27-F70 HydrophobicContact CG2-CZ 4.02Å; T27-F70 WeakPolarHBondContact OG1-CE2 3.44Å
28A84Confident79.7Confident37 Ų3763.9 Ų63.931%0.30636%0.357SS..Hα-helixtrans-63.3-42.6174.700000112V24 L25 T26 V30 Q31 L32V24-A28 WeakPolarHBondContact O-CB 3.12Å; V24-A28 PolarHBondContact O-N 2.91Å; L25-A28 PolarHBondContact O-N 2.87Å; T26-A28 PolarHBondContact O-N 3.1Å; A28-V30 VanDerWaalsContact C-N 3.28Å; A28-V30 PolarHBondContact O-N 3.14Å; A28-Q31 PolarHBondContact O-N 3.38Å; A28-Q31 VanDerWaalsContact O-N 3.14Å; A28-L32 WeakPolarHBondContact O-CB 3.31Å; A28-L32 WeakPolarHBondContact O-CG 3.4Å; A28-L32 PolarHBondContact O-N 2.98Å
29A82.8Confident78.3Confident23 Ų2366 Ų6619%0.1936%0.358CS..Hα-helixtrans-61.8-36.2176.800000112.4L25 T26 V34 I35L25-A29 WeakPolarHBondContact O-CB 3.24Å; L25-A29 PolarHBondContact O-N 3.35Å; T26-A29 PolarHBondContact O-N 3.42Å; A29-V34 WeakPolarHBondContact O-CB 3.32Å; A29-V34 PolarHBondContact O-N 2.96Å; A29-V34 VanDerWaalsContact O-N 3.11Å; A29-I35 HydrophobicContact CB-CD1 4.13Å; A29-I35 HydrophobicContact CB-CG1 4.44Å; A29-I35 PolarHBondContact O-N 3.35Å
30V79.8Confident76.9Confident19 Ų1964.9 Ų64.912%0.11535%0.353CS..Hα-helixtrans-68.9-40.4173.6173.80000111.5T26 T27 A28 L32 E33 I35 P37 L40 F62T26-V30 WeakPolarHBondContact O-CG2 3.38Å; T26-V30 PolarHBondContact O-N 2.69Å; T26-V30 VanDerWaalsContact O-N 3.1Å; T27-V30 PolarHBondContact O-N 3.44Å; A28-V30 VanDerWaalsContact C-N 3.28Å; A28-V30 PolarHBondContact O-N 3.14Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-E33 PolarHBondContact O-N 3.33Å; V30-E33 VanDerWaalsContact O-N 3.15Å; V30-I35 WeakPolarHBondContact CA-O 3.33Å; V30-I35 HydrophobicContact CG2-CB 4.49Å; V30-P37 HydrophobicContact CG1-CG 3.73Å; V30-L40 HydrophobicContact CG2-CD1 3.51Å; V30-L40 HydrophobicContact CG2-CD2 4.43Å; V30-F62 HydrophobicContact CB-CE2 4.04Å; V30-F62 HydrophobicContact CG1-CE2 3.86Å; V30-F62 HydrophobicContact CG1-CZ 4.36Å; V30-F62 HydrophobicContact CG2-CD2 4.09Å; V30-F62 HydrophobicContact CG2-CE2 3.87Å
31Q79.1Confident75.8Confident103 Ų10367.6 Ų67.648%0.48136%0.362SS..Hα-helixtrans-69.1-33.2179.6-167.666.261.100113.1T27 A28 E33 L66T27-Q31 PolarHBondContact O-N 3.29Å; A28-Q31 PolarHBondContact O-N 3.38Å; A28-Q31 VanDerWaalsContact O-N 3.14Å; Q31-E33 PolarHBondContact O-N 3.01Å; Q31-L66 HydrophobicContact CB-CD1 3.96Å; Q31-L66 HydrophobicContact CG-CD1 3.73Å; Q31-L66 HydrophobicContact CG-CG 4.46Å
32L81.6Confident74.3Confident132 Ų13265.8 Ų65.869%0.69135%0.35SS*.THydrogen-bonded Turntrans-76.96174.1-66.9173.8000112.8A28 V30 V34A28-L32 WeakPolarHBondContact O-CB 3.31Å; A28-L32 WeakPolarHBondContact O-CG 3.4Å; A28-L32 PolarHBondContact O-N 2.98Å; V30-L32 VanDerWaalsContact C-N 3.35Å; L32-V34 HydrophobicContact CB-CG2 3.91Å; L32-V34 PolarHBondContact O-N 3.26Å
33E76.3Confident73.1Confident172 Ų17266.8 Ų66.880%0.80435%0.351SS*.THydrogen-bonded Turntrans56.816.6-177.4-58.1-174.8170.600114.3V30 Q31 I35V30-E33 PolarHBondContact O-N 3.33Å; V30-E33 VanDerWaalsContact O-N 3.15Å; Q31-E33 PolarHBondContact O-N 3.01Å; E33-I35 VanDerWaalsContact C-N 3.25Å; E33-I35 PolarHBondContact O-N 3.2Å
34V73.9Confident71.8Confident108 Ų10868.3 Ų68.366%0.65536%0.361SS*.SBendtrans-67.1-33.8174.4-179.40000110A29 L32A29-V34 WeakPolarHBondContact O-CB 3.32Å; A29-V34 PolarHBondContact O-N 2.96Å; A29-V34 VanDerWaalsContact O-N 3.11Å; L32-V34 HydrophobicContact CB-CG2 3.91Å; L32-V34 PolarHBondContact O-N 3.26Å
35I69.2Low70.3Confident57 Ų5768.7 Ų68.729%0.29236%0.361SS..SBendtrans-131.1131.4177.9-50.4176.7000108.8A29 V30 E33 Q39 L40A29-I35 HydrophobicContact CB-CD1 4.13Å; A29-I35 HydrophobicContact CB-CG1 4.44Å; A29-I35 PolarHBondContact O-N 3.35Å; V30-I35 WeakPolarHBondContact CA-O 3.33Å; V30-I35 HydrophobicContact CG2-CB 4.49Å; E33-I35 VanDerWaalsContact C-N 3.25Å; E33-I35 PolarHBondContact O-N 3.2Å; I35-Q39 HydrophobicContact CG2-CB 4.11Å; I35-L40 HydrophobicContact CB-CD1 4.29Å; I35-L40 HydrophobicContact CG2-CD1 3.45Å; I35-L40 VanDerWaalsContact CG2-CD1 3.45Å; I35-L40 HydrophobicContact CG2-CG 4.49Å
36T67.4Low68.9Low66 Ų6665.7 Ų65.741%0.40535%0.345SS..  trans-80.4142176.755.50000110.7F38 Q39T36-F38 PolarHBondContact O-N 3.44Å; T36-Q39 WeakPolarHBondContact O-CB 3.03Å; T36-Q39 PolarHBondContact O-N 3.48Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.31Å
37P63.3Low67.8Low60 Ų6065.4 Ų65.439%0.3934%0.343SS..Hα-helixtrans-53.1-30.7175.4-24.430.7000113.3V30 Q39 L40 Y41V30-P37 HydrophobicContact CG1-CG 3.73Å; P37-Q39 PolarHBondContact O-N 2.95Å; P37-L40 PolarHBondContact O-N 3.07Å; P37-L40 VanDerWaalsContact O-N 3.11Å; P37-Y41 PolarHBondContact O-N 3.05Å; P37-Y41 VanDerWaalsContact O-N 3.14Å
38F59.5Low66.7Low171 Ų17170.6 Ų70.675%0.7537%0.369SS*.Hα-helixtrans-63.4-24.6175.4-70.8-79000113.9T36 R55T36-F38 PolarHBondContact O-N 3.44Å; F38-R55 PolarHBondContact O-NH1 3.14Å
39Q54.8Low65.5Low103 Ų10377.5 Ų77.548%0.48139%0.387SS..Hα-helixtrans-81.8-21.2174-72.1176.5-21.100113.3I35 T36 P37 R55I35-Q39 HydrophobicContact CG2-CB 4.11Å; T36-Q39 WeakPolarHBondContact O-CB 3.03Å; T36-Q39 PolarHBondContact O-N 3.48Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.31Å; P37-Q39 PolarHBondContact O-N 2.95Å; Q39-R55 VanDerWaalsContact C-NH1 3.32Å; Q39-R55 PolarHBondContact O-NH1 2.97Å
40L58.3Low64.5Low3 Ų385.1 Ų85.12%0.01641%0.411CS..Hα-helixtrans-90.6-11.1173.4-71.9102.1000113.5T26 V30 I35 P37 F42 N59 F62T26-L40 HydrophobicContact CG2-CD2 3.43Å; T26-L40 VanDerWaalsContact CG2-CD2 3.43Å; V30-L40 HydrophobicContact CG2-CD1 3.51Å; V30-L40 HydrophobicContact CG2-CD2 4.43Å; I35-L40 HydrophobicContact CB-CD1 4.29Å; I35-L40 HydrophobicContact CG2-CD1 3.45Å; I35-L40 VanDerWaalsContact CG2-CD1 3.45Å; I35-L40 HydrophobicContact CG2-CG 4.49Å; P37-L40 PolarHBondContact O-N 3.07Å; P37-L40 VanDerWaalsContact O-N 3.11Å; L40-F42 PolarHBondContact O-N 3.35Å; L40-N59 PolarHBondContact O-ND2 3.31Å; L40-N59 VanDerWaalsContact O-ND2 3.07Å; L40-F62 HydrophobicContact CD2-CB 3.85Å; L40-F62 HydrophobicContact CD2-CD2 4.19Å; L40-F62 HydrophobicContact CD2-CG 4.2Å
41Y63.4Low63.7Low78 Ų7893 Ų9331%0.30644%0.44SS..SBendtrans-60.3131.7179.5-173.9-93.2000111.3P37 N43 R55 F117P37-Y41 PolarHBondContact O-N 3.05Å; P37-Y41 VanDerWaalsContact O-N 3.14Å; Y41-N43 HydrophobicContact CD1-CB 4.13Å; Y41-N43 HydrophobicContact CE1-CB 4.42Å; Y41-N43 PolarHBondContact O-N 3.11Å; Y41-N43 VanDerWaalsContact O-N 3.11Å; Y41-R55 PolarHBondContact O-NH1 3.25Å; Y41-R55 VanDerWaalsContact O-NH1 3.15Å; Y41-F117 HydrophobicContact CD2-CB 4.16Å; Y41-F117 HydrophobicContact CD2-CD1 4.29Å; Y41-F117 HydrophobicContact CE1-CD1 4.33Å; Y41-F117 HydrophobicContact CE2-CB 3.69Å; Y41-F117 AromaticContact CE2-CD1 3.14Å; Y41-F117 HydrophobicContact CE2-CD1 3.14Å; Y41-F117 AromaticContact CE2-CE1 3.91Å; Y41-F117 HydrophobicContact CE2-CE1 3.91Å; Y41-F117 AromaticContact CE2-CG 3.58Å; Y41-F117 HydrophobicContact CE2-CG 3.58Å; Y41-F117 AromaticContact CZ-CD1 3.2Å; Y41-F117 AromaticContact CZ-CE1 3.61Å; Y41-F117 WeakPolarHBondContact OH-CD1 3.04Å; Y41-F117 WeakPolarHBondContact OH-CE1 3.11Å
42F54.7Low63Low6 Ų690 Ų903%0.02643%0.426CS..  trans-71.3102.2175-173.1-96.9000109.1L40 P44 I47 L56 N59 T108 L112 L119L40-F42 PolarHBondContact O-N 3.35Å; F42-P44 HydrophobicContact CD1-CG 4.27Å; F42-P44 HydrophobicContact CE1-CG 3.93Å; F42-I47 HydrophobicContact CD2-CD1 3.81Å; F42-I47 HydrophobicContact CE2-CD1 3.88Å; F42-I47 HydrophobicContact CG-CD1 4.43Å; F42-L56 HydrophobicContact CD2-CD2 4.26Å; F42-L56 HydrophobicContact CE2-CD2 3.57Å; F42-N59 PolarHBondContact N-ND2 3.35Å; F42-T108 HydrophobicContact CE2-CG2 4.05Å; F42-T108 HydrophobicContact CZ-CG2 4.1Å; F42-L112 HydrophobicContact CE1-CD2 3.87Å; F42-L112 HydrophobicContact CE1-CG 4.34Å; F42-L112 HydrophobicContact CZ-CD2 3.65Å; F42-L112 HydrophobicContact CZ-CG 4.02Å; F42-L119 HydrophobicContact CG-CD1 4.5Å
43N61.6Low62.4Low52 Ų5288.7 Ų88.728%0.27842%0.419SS..  trans-116105.3173.5-169.8-36.6000109.4Y41 D45 L46 I47Y41-N43 HydrophobicContact CD1-CB 4.13Å; Y41-N43 HydrophobicContact CE1-CB 4.42Å; Y41-N43 PolarHBondContact O-N 3.11Å; Y41-N43 VanDerWaalsContact O-N 3.11Å; N43-D45 PolarHBondContact O-N 2.89Å; N43-D45 WeakPolarHBondContact OD1-CB 3.19Å; N43-D45 PolarHBondContact OD1-N 2.81Å; N43-D45 VanDerWaalsContact OD1-N 3.11Å; N43-L46 HydrophobicContact CB-CB 4.18Å; N43-L46 HydrophobicContact CB-CD1 3.88Å; N43-L46 HydrophobicContact CB-CG 4.3Å; N43-L46 PolarHBondContact O-N 2.97Å; N43-I47 VanDerWaalsContact O-CG1 3.29Å; N43-I47 WeakPolarHBondContact O-CG1 3.42Å; N43-I47 PolarHBondContact O-N 3.24Å
44P57.5Low62Low31 Ų3187.5 Ų87.520%0.20141%0.407CS..Hα-helixtrans-51.9-41.3-179.5-26.732.8000113.7F42 I47 I48 L112F42-P44 HydrophobicContact CD1-CG 4.27Å; F42-P44 HydrophobicContact CE1-CG 3.93Å; P44-I47 PolarHBondContact O-N 3.24Å; P44-I48 WeakPolarHBondContact O-CB 3.5Å; P44-I48 WeakPolarHBondContact O-CG1 3.5Å; P44-I48 PolarHBondContact O-N 2.87Å; P44-L112 HydrophobicContact CB-CD2 3.57Å; P44-L112 HydrophobicContact CG-CD2 3.93Å
45D55.6Low61.8Low79 Ų7983.6 Ų83.642%0.42238%0.38SS..Hα-helixtrans-68-41-174.7-160-101.3000110.8N43 R49N43-D45 PolarHBondContact O-N 2.89Å; N43-D45 WeakPolarHBondContact OD1-CB 3.19Å; N43-D45 PolarHBondContact OD1-N 2.81Å; N43-D45 VanDerWaalsContact OD1-N 3.11Å; D45-R49 WeakPolarHBondContact O-CB 3.4Å; D45-R49 WeakPolarHBondContact O-CG 3.43Å; D45-R49 PolarHBondContact O-N 3.16Å; D45-R49 WeakPolarHBondContact OD1-CD 3.49Å; D45-R49 IonicContact OD1-CZ 3.83Å; D45-R49 IonicContact OD1-NE 3.94Å; D45-R49 IonicContact OD1-NH1 3.07Å; D45-R49 PolarHBondContact OD1-NH1 3.17Å; D45-R49 IonicContact OD2-CZ 3.15Å; D45-R49 IonicContact OD2-NE 3.37Å; D45-R49 PolarHBondContact OD2-NE 2.77Å; D45-R49 IonicContact OD2-NH1 2.95Å; D45-R49 PolarHBondContact OD2-NH1 3.48Å; D45-R49 IonicContact OD2-NH2 3.86Å
46L57.6Low61.7Low56 Ų5682.8 Ų82.829%0.29338%0.377SS..Hα-helixtrans-72.1-34.4176.7-71.3167.9000112.3N43 R50N43-L46 HydrophobicContact CB-CB 4.18Å; N43-L46 HydrophobicContact CB-CD1 3.88Å; N43-L46 HydrophobicContact CB-CG 4.3Å; N43-L46 PolarHBondContact O-N 2.97Å; L46-R50 HydrophobicContact CD2-CG 4.07Å; L46-R50 WeakPolarHBondContact O-CA 3.4Å; L46-R50 WeakPolarHBondContact O-CB 3.29Å; L46-R50 PolarHBondContact O-N 2.77Å
47I59.6Low61.8Low16 Ų1684.7 Ų84.78%0.08238%0.383CS..Hα-helixtrans-70.4-46.2-179.5-65.5166.6000110.1F42 N43 P44 Y51 R55 L56F42-I47 HydrophobicContact CD2-CD1 3.81Å; F42-I47 HydrophobicContact CE2-CD1 3.88Å; F42-I47 HydrophobicContact CG-CD1 4.43Å; N43-I47 VanDerWaalsContact O-CG1 3.29Å; N43-I47 WeakPolarHBondContact O-CG1 3.42Å; N43-I47 PolarHBondContact O-N 3.24Å; P44-I47 PolarHBondContact O-N 3.24Å; I47-Y51 WeakPolarHBondContact O-CA 3.27Å; I47-Y51 PolarHBondContact O-N 3.12Å; I47-Y51 VanDerWaalsContact O-N 3.16Å; I47-R55 HydrophobicContact CD1-CB 4.17Å; I47-R55 HydrophobicContact CG1-CB 4.12Å; I47-L56 HydrophobicContact CD1-CD2 3.85Å; I47-L56 HydrophobicContact CD1-CG 4.37Å; I47-L56 HydrophobicContact CG2-CD1 4.17Å; I47-L56 HydrophobicContact CG2-CD2 4.14Å; I47-L56 HydrophobicContact CG2-CG 4.06Å
48I59.9Low62.2Low110 Ų11083.5 Ų83.556%0.56438%0.375SS*.Hα-helixtrans-79-40-175.9-62.3171.7000111.4P44 L112P44-I48 WeakPolarHBondContact O-CB 3.5Å; P44-I48 WeakPolarHBondContact O-CG1 3.5Å; P44-I48 PolarHBondContact O-N 2.87Å; I48-L112 HydrophobicContact CD1-CD2 4.38Å
49R59.5Low63Low183 Ų18375.4 Ų75.469%0.69134%0.339SS*.Hα-helixtrans-88.5-22.3-177.5-61.7-179.2170.7167.3-7.1114.6D45D45-R49 WeakPolarHBondContact O-CB 3.4Å; D45-R49 WeakPolarHBondContact O-CG 3.43Å; D45-R49 PolarHBondContact O-N 3.16Å; D45-R49 WeakPolarHBondContact OD1-CD 3.49Å; D45-R49 IonicContact OD1-CZ 3.83Å; D45-R49 IonicContact OD1-NE 3.94Å; D45-R49 IonicContact OD1-NH1 3.07Å; D45-R49 PolarHBondContact OD1-NH1 3.17Å; D45-R49 IonicContact OD2-CZ 3.15Å; D45-R49 IonicContact OD2-NE 3.37Å; D45-R49 PolarHBondContact OD2-NE 2.77Å; D45-R49 IonicContact OD2-NH1 2.95Å; D45-R49 PolarHBondContact OD2-NH1 3.48Å; D45-R49 IonicContact OD2-NH2 3.86Å
50R61.3Low64.1Low183 Ų18371.6 Ų71.669%0.69132%0.321SS*.Hα-helixtrans-117.77.4-178.2-57.8-85.8-170.4-161.70.1113.7L46 Q52L46-R50 HydrophobicContact CD2-CG 4.07Å; L46-R50 WeakPolarHBondContact O-CA 3.4Å; L46-R50 WeakPolarHBondContact O-CB 3.29Å; L46-R50 PolarHBondContact O-N 2.77Å; R50-Q52 HydrophobicContact CB-CG 4.03Å; R50-Q52 PolarHBondContact O-N 3.19Å
51Y63.2Low64.9Low184 Ų18472.4 Ų72.472%0.72233%0.325SS*.  trans52.535.7177.7-66.6-84.4000114.4I47 I53I47-Y51 WeakPolarHBondContact O-CA 3.27Å; I47-Y51 PolarHBondContact O-N 3.12Å; I47-Y51 VanDerWaalsContact O-N 3.16Å; Y51-I53 PolarHBondContact O-N 3.41Å
52Q65Low65.6Low41 Ų4169 Ų6919%0.19231%0.312CS..  trans-82.563.6180-58.6-162.7-16.700111.7R50 W54 R55R50-Q52 HydrophobicContact CB-CG 4.03Å; R50-Q52 PolarHBondContact O-N 3.19Å; Q52-W54 HydrophobicContact CB-CD2 4.23Å; Q52-W54 HydrophobicContact CB-CE3 4.49Å; Q52-W54 HydrophobicContact CB-CH2 3.91Å; Q52-W54 HydrophobicContact CB-CZ2 3.59Å; Q52-W54 HydrophobicContact CB-CZ3 4.34Å; Q52-W54 HydrophobicContact CG-CH2 3.6Å; Q52-W54 HydrophobicContact CG-CZ2 3.4Å; Q52-W54 VanDerWaalsContact CG-CZ2 3.4Å; Q52-W54 HydrophobicContact CG-CZ3 4.42Å; Q52-W54 PolarHBondContact O-N 3.11Å; Q52-R55 HydrophobicContact CB-CG 4.15Å; Q52-R55 WeakPolarHBondContact O-CB 3.25Å; Q52-R55 PolarHBondContact O-N 3.48Å
53I68.3Low66.5Low104 Ų10469.1 Ų69.153%0.53331%0.313SS..THydrogen-bonded Turntrans-60.1-30.6-174-58.5165.1000111.7Y51 R55 L56Y51-I53 PolarHBondContact O-N 3.41Å; I53-R55 PolarHBondContact O-N 3.41Å; I53-R55 VanDerWaalsContact O-N 3.15Å; I53-L56 HydrophobicContact CG2-CD1 4.4Å; I53-L56 VanDerWaalsContact O-CB 3.31Å; I53-L56 WeakPolarHBondContact O-CB 3.4Å; I53-L56 PolarHBondContact O-N 3.42Å
54W68Low67.1Low147 Ų14767.6 Ų67.656%0.55731%0.309SS*.Hα-helixtrans-57.5-29.9176.358.988.2000112.8Q52 L56 I57 T58Q52-W54 HydrophobicContact CB-CD2 4.23Å; Q52-W54 HydrophobicContact CB-CE3 4.49Å; Q52-W54 HydrophobicContact CB-CH2 3.91Å; Q52-W54 HydrophobicContact CB-CZ2 3.59Å; Q52-W54 HydrophobicContact CB-CZ3 4.34Å; Q52-W54 HydrophobicContact CG-CH2 3.6Å; Q52-W54 HydrophobicContact CG-CZ2 3.4Å; Q52-W54 VanDerWaalsContact CG-CZ2 3.4Å; Q52-W54 HydrophobicContact CG-CZ3 4.42Å; Q52-W54 PolarHBondContact O-N 3.11Å; W54-L56 PolarHBondContact O-N 3.3Å; W54-I57 PolarHBondContact O-N 3.27Å; W54-T58 WeakPolarHBondContact O-CG2 3.41Å; W54-T58 PolarHBondContact O-N 3.28Å; W54-T58 PolarHBondContact O-OG1 3.27Å; W54-T58 VanDerWaalsContact O-OG1 3.1Å
55R70.3Confident67.9Low25 Ų2570.6 Ų70.69%0.09433%0.331CS..Hα-helixtrans-63.6-30.9177.2-70.6-170.8177.1-109.6-2.9113F38 Q39 Y41 I47 Q52 I53 T58 N59F38-R55 PolarHBondContact O-NH1 3.14Å; Q39-R55 VanDerWaalsContact C-NH1 3.32Å; Q39-R55 PolarHBondContact O-NH1 2.97Å; Y41-R55 PolarHBondContact O-NH1 3.25Å; Y41-R55 VanDerWaalsContact O-NH1 3.15Å; I47-R55 HydrophobicContact CD1-CB 4.17Å; I47-R55 HydrophobicContact CG1-CB 4.12Å; Q52-R55 HydrophobicContact CB-CG 4.15Å; Q52-R55 WeakPolarHBondContact O-CB 3.25Å; Q52-R55 PolarHBondContact O-N 3.48Å; I53-R55 PolarHBondContact O-N 3.41Å; I53-R55 VanDerWaalsContact O-N 3.15Å; R55-T58 WeakPolarHBondContact CA-OG1 3.23Å; R55-T58 PolarHBondContact O-OG1 3.07Å; R55-N59 VanDerWaalsContact O-CB 3.23Å; R55-N59 WeakPolarHBondContact O-CB 3.15Å; R55-N59 PolarHBondContact O-N 2.88Å; R55-N59 VanDerWaalsContact O-N 3.12Å
56L66.9Low68.9Low41 Ų4171.1 Ų71.122%0.21533%0.333CS..Hα-helixtrans-61.8-50.6175.6-65.6174.2000109.5F42 I47 I53 W54 F60 T108F42-L56 HydrophobicContact CD2-CD2 4.26Å; F42-L56 HydrophobicContact CE2-CD2 3.57Å; I47-L56 HydrophobicContact CD1-CD2 3.85Å; I47-L56 HydrophobicContact CD1-CG 4.37Å; I47-L56 HydrophobicContact CG2-CD1 4.17Å; I47-L56 HydrophobicContact CG2-CD2 4.14Å; I47-L56 HydrophobicContact CG2-CG 4.06Å; I53-L56 HydrophobicContact CG2-CD1 4.4Å; I53-L56 VanDerWaalsContact O-CB 3.31Å; I53-L56 WeakPolarHBondContact O-CB 3.4Å; I53-L56 PolarHBondContact O-N 3.42Å; W54-L56 PolarHBondContact O-N 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.45Å; L56-F60 WeakPolarHBondContact O-CE2 2.99Å; L56-T108 HydrophobicContact CD2-CG2 3.56Å
57I70.4Confident70.1Confident106 Ų10670.3 Ų70.354%0.54434%0.338SS..Hα-helixtrans-68.9-46.7-177.2-61170.4000111W54 N59 F60 L61W54-I57 PolarHBondContact O-N 3.27Å; I57-N59 PolarHBondContact O-N 3.3Å; I57-F60 PolarHBondContact O-N 2.91Å; I57-L61 HydrophobicContact CG2-CD1 3.86Å; I57-L61 WeakPolarHBondContact O-CG 3.18Å; I57-L61 PolarHBondContact O-N 2.89Å
58T71.4Confident71.2Confident35 Ų3577 Ų7722%0.21537%0.367CS..Hα-helixtrans-66-27.4-177.556.80000112.9W54 R55 L61 F62W54-T58 WeakPolarHBondContact O-CG2 3.41Å; W54-T58 PolarHBondContact O-N 3.28Å; W54-T58 PolarHBondContact O-OG1 3.27Å; W54-T58 VanDerWaalsContact O-OG1 3.1Å; R55-T58 WeakPolarHBondContact CA-OG1 3.23Å; R55-T58 PolarHBondContact O-OG1 3.07Å; T58-L61 PolarHBondContact O-N 3.41Å; T58-F62 PolarHBondContact O-N 3.47Å
59N76.6Confident72.3Confident1 Ų173 Ų731%0.00535%0.349CS..Hα-helixtrans-69.7-34178.2-169-93.8000113L40 F42 R55 I57 L61 F117 L119 G120L40-N59 PolarHBondContact O-ND2 3.31Å; L40-N59 VanDerWaalsContact O-ND2 3.07Å; F42-N59 PolarHBondContact N-ND2 3.35Å; R55-N59 VanDerWaalsContact O-CB 3.23Å; R55-N59 WeakPolarHBondContact O-CB 3.15Å; R55-N59 PolarHBondContact O-N 2.88Å; R55-N59 VanDerWaalsContact O-N 3.12Å; I57-N59 PolarHBondContact O-N 3.3Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-F117 PolarHBondContact ND2-O 3.08Å; N59-L119 WeakPolarHBondContact OD1-CB 3.47Å; N59-L119 VanDerWaalsContact OD1-CD1 3.26Å; N59-L119 WeakPolarHBondContact OD1-CD1 3.4Å; N59-L119 PolarHBondContact OD1-N 3.35Å; N59-G120 PolarHBondContact O-N 2.93Å
60F76.6Confident73.5Confident23 Ų2365.2 Ų65.210%0.10132%0.32CS..Hα-helixtrans-69.4-30.3173-70.8-73.5000112.5Y19 L56 I57 G104 M107 L119 G120 F123Y19-F60 PolarHBondContact OH-O 3.06Å; Y19-F60 VanDerWaalsContact OH-O 3.12Å; L56-F60 WeakPolarHBondContact O-CD2 3.45Å; L56-F60 WeakPolarHBondContact O-CE2 2.99Å; I57-F60 PolarHBondContact O-N 2.91Å; F60-G104 WeakPolarHBondContact CZ-O 3.29Å; F60-M107 HydrophobicContact CE1-CB 3.78Å; F60-M107 HydrophobicContact CE1-CG 4.3Å; F60-M107 HydrophobicContact CZ-CB 3.91Å; F60-L119 HydrophobicContact CD1-CB 3.89Å; F60-L119 HydrophobicContact CE1-CB 3.69Å; F60-L119 HydrophobicContact CE1-CD2 3.82Å; F60-L119 HydrophobicContact CE1-CG 4.39Å; F60-L119 HydrophobicContact CZ-CB 4.28Å; F60-L119 HydrophobicContact CZ-CD2 3.67Å; F60-G120 WeakPolarHBondContact O-CA 3.49Å; F60-F123 HydrophobicContact CD1-CB 4.13Å; F60-F123 HydrophobicContact CD1-CD2 4.26Å; F60-F123 HydrophobicContact CD1-CG 4.29Å; F60-F123 HydrophobicContact CE1-CD2 4.42Å
61L76Confident74.8Confident19 Ų1960.6 Ų60.610%0.09931%0.309CS..Hα-helixtrans-81.5-14.1-177.8-67.1163.3000113.4Y19 A22 C23 T26 I57 T58 N59 F63Y19-L61 HydrophobicContact CD2-CD2 4.08Å; Y19-L61 HydrophobicContact CE2-CD2 3.86Å; A22-L61 HydrophobicContact CB-CD1 4.31Å; A22-L61 HydrophobicContact CB-CD2 3.46Å; A22-L61 VanDerWaalsContact CB-CD2 3.46Å; C23-L61 WeakPolarHBondContact CA-O 3.43Å; T26-L61 HydrophobicContact CG2-CB 4.25Å; I57-L61 HydrophobicContact CG2-CD1 3.86Å; I57-L61 WeakPolarHBondContact O-CG 3.18Å; I57-L61 PolarHBondContact O-N 2.89Å; T58-L61 PolarHBondContact O-N 3.41Å; N59-L61 VanDerWaalsContact C-N 3.3Å; L61-F63 WeakPolarHBondContact O-CD2 3.47Å
62F77.4Confident75.8Confident8 Ų853.8 Ų53.84%0.03528%0.283CS..  trans-100120.4-175.4-173.7-99.4000112.3V30 L40 T58 G64 F118V30-F62 HydrophobicContact CB-CE2 4.04Å; V30-F62 HydrophobicContact CG1-CE2 3.86Å; V30-F62 HydrophobicContact CG1-CZ 4.36Å; V30-F62 HydrophobicContact CG2-CD2 4.09Å; V30-F62 HydrophobicContact CG2-CE2 3.87Å; L40-F62 HydrophobicContact CD2-CB 3.85Å; L40-F62 HydrophobicContact CD2-CD2 4.19Å; L40-F62 HydrophobicContact CD2-CG 4.2Å; T58-F62 PolarHBondContact O-N 3.47Å; F62-G64 VanDerWaalsContact CE1-CA 3.45Å; F62-G64 WeakPolarHBondContact CE2-O 3.15Å; F62-G64 WeakPolarHBondContact CZ-O 3.39Å; F62-F118 AromaticContact CD1-CD1 3.43Å; F62-F118 HydrophobicContact CD1-CD1 3.43Å; F62-F118 VanDerWaalsContact CD1-CD1 3.43Å; F62-F118 AromaticContact CD1-CE1 3.31Å; F62-F118 HydrophobicContact CD1-CE1 3.31Å; F62-F118 HydrophobicContact CD1-CG 4.36Å; F62-F118 HydrophobicContact CD1-CZ 4.18Å; F62-F118 AromaticContact CE1-CD1 3.91Å; F62-F118 HydrophobicContact CE1-CD1 3.91Å; F62-F118 AromaticContact CE1-CE1 3.4Å; F62-F118 HydrophobicContact CE1-CE1 3.4Å; F62-F118 AromaticContact CE1-CZ 3.82Å; F62-F118 HydrophobicContact CE1-CZ 3.82Å; F62-F118 HydrophobicContact CG-CE1 4.5Å
63F73.8Confident76.8Confident7 Ų752.4 Ų52.43%0.03128%0.277CS..  trans-107.17.6-175.4-74-91.2000114.1C23 L61 F70 N73 L77 G120 Q121 T124C23-F63 HydrophobicContact CB-CD2 4.21Å; C23-F63 HydrophobicContact CB-CE2 4.01Å; C23-F63 VanDerWaalsContact SG-CE2 3.52Å; L61-F63 WeakPolarHBondContact O-CD2 3.47Å; F63-F70 HydrophobicContact CB-CD2 3.58Å; F63-F70 HydrophobicContact CB-CE2 3.92Å; F63-N73 HydrophobicContact CD1-CB 3.92Å; F63-L77 HydrophobicContact CE2-CD2 4.05Å; F63-L77 HydrophobicContact CZ-CD2 3.78Å; F63-G120 WeakPolarHBondContact CE1-O 3.38Å; F63-G120 WeakPolarHBondContact CZ-O 3.42Å; F63-Q121 HydrophobicContact CD1-CG 4.44Å; F63-Q121 PolarHBondContact O-NE2 2.76Å; F63-T124 VanDerWaalsContact CE1-OG1 3.27Å; F63-T124 WeakPolarHBondContact CE1-OG1 3.33Å
64G73.2Confident77.7Confident20 Ų2048.2 Ų48.221%0.20626%0.255CS..  trans105.8-171-174.500000113.1F62F62-G64 VanDerWaalsContact CE1-CA 3.45Å; F62-G64 WeakPolarHBondContact CE2-O 3.15Å; F62-G64 WeakPolarHBondContact CZ-O 3.39Å
65S75.7Confident78.7Confident94 Ų9445 Ų4566%0.65725%0.248SC*.SBendtrans-67.3156.8175.852.70000112G67 F70S65-G67 PolarHBondContact O-N 2.87Å; S65-F70 VanDerWaalsContact O-CB 3.32Å; S65-F70 WeakPolarHBondContact O-CB 3.46Å
66L76.7Confident79.6Confident90 Ų9044.4 Ų44.447%0.47125%0.246SC..THydrogen-bonded Turntrans-64111.1173.4-69.4-179.9000109.9T27 Q31 F70T27-L66 HydrophobicContact CG2-CD2 3.4Å; T27-L66 HydrophobicContact CG2-CG 3.82Å; Q31-L66 HydrophobicContact CB-CD1 3.96Å; Q31-L66 HydrophobicContact CG-CD1 3.73Å; Q31-L66 HydrophobicContact CG-CG 4.46Å; L66-F70 HydrophobicContact CD2-CD1 3.72Å; L66-F70 HydrophobicContact CD2-CE1 3.73Å; L66-F70 HydrophobicContact CD2-CG 4.3Å; L66-F70 HydrophobicContact CD2-CZ 4.35Å
67G81.4Confident80.6Confident39 Ų3942.5 Ų42.540%0.40224%0.236SC..THydrogen-bonded Turntrans-170-172.3179.200000111.4S65 S69 F70 L71S65-G67 PolarHBondContact O-N 2.87Å; G67-S69 VanDerWaalsContact C-N 3.29Å; G67-S69 PolarHBondContact O-N 3.38Å; G67-F70 PolarHBondContact O-N 3.45Å; G67-L71 PolarHBondContact O-N 3.44Å
68F83.4Confident81.5Confident158 Ų15840.8 Ų40.869%0.69322%0.224SC*.Hα-helixtrans-58.2-40.2179.7-76.3-75.9000112.8F70 L71 F72F68-F70 PolarHBondContact O-N 3.36Å; F68-L71 PolarHBondContact O-N 3.01Å; F68-F72 HydrophobicContact CB-CE2 4.46Å; F68-F72 HydrophobicContact CD1-CE2 4.32Å; F68-F72 WeakPolarHBondContact O-CD2 3.5Å; F68-F72 PolarHBondContact O-N 3.05Å; F68-F72 VanDerWaalsContact O-N 3.08Å
69S82.6Confident82.3Confident25 Ų2544.4 Ų44.418%0.17523%0.233CC..Hα-helixtrans-59.7-48.3176.7-172.50000111.3G67 L71 F72 N73 N166G67-S69 VanDerWaalsContact C-N 3.29Å; G67-S69 PolarHBondContact O-N 3.38Å; S69-L71 PolarHBondContact O-N 3.08Å; S69-F72 PolarHBondContact O-N 2.96Å; S69-N73 WeakPolarHBondContact O-CB 3.4Å; S69-N73 PolarHBondContact O-N 3.25Å; S69-N73 VanDerWaalsContact O-N 3.12Å; S69-N73 PolarHBondContact O-ND2 3.02Å; S69-N73 PolarHBondContact OG-ND2 3.43Å; S69-N166 PolarHBondContact OG-ND2 3.49Å; S69-N166 VanDerWaalsContact OG-ND2 3.16Å; S69-N166 PolarHBondContact OG-OD1 2.94Å
70F85.1Confident82.8Confident20 Ų2044.5 Ų44.59%0.08823%0.234CC..Hα-helixtrans-58.5-46.9176.2174.7-95.8000112.4T27 F63 S65 L66 G67 F68 F72 N73 I74T27-F70 HydrophobicContact CG2-CD2 3.97Å; T27-F70 HydrophobicContact CG2-CE2 3.73Å; T27-F70 HydrophobicContact CG2-CG 4.5Å; T27-F70 HydrophobicContact CG2-CZ 4.02Å; T27-F70 WeakPolarHBondContact OG1-CE2 3.44Å; F63-F70 HydrophobicContact CB-CD2 3.58Å; F63-F70 HydrophobicContact CB-CE2 3.92Å; S65-F70 VanDerWaalsContact O-CB 3.32Å; S65-F70 WeakPolarHBondContact O-CB 3.46Å; L66-F70 HydrophobicContact CD2-CD1 3.72Å; L66-F70 HydrophobicContact CD2-CE1 3.73Å; L66-F70 HydrophobicContact CD2-CG 4.3Å; L66-F70 HydrophobicContact CD2-CZ 4.35Å; G67-F70 PolarHBondContact O-N 3.45Å; F68-F70 PolarHBondContact O-N 3.36Å; F70-F72 PolarHBondContact O-N 3.33Å; F70-N73 PolarHBondContact O-N 3.31Å; F70-I74 HydrophobicContact CE1-CB 4.47Å; F70-I74 HydrophobicContact CE1-CG2 4.2Å; F70-I74 HydrophobicContact CZ-CB 4.35Å; F70-I74 HydrophobicContact CZ-CD1 4.49Å; F70-I74 WeakPolarHBondContact O-CG2 3.13Å; F70-I74 PolarHBondContact O-N 2.9Å
71L87.9Confident83.3Confident85 Ų8543.4 Ų43.445%0.44523%0.229SC..Hα-helixtrans-58.6-47.9-178.2-176.969.9000112G67 F68 S69 N73 I74 I75G67-L71 PolarHBondContact O-N 3.44Å; F68-L71 PolarHBondContact O-N 3.01Å; S69-L71 PolarHBondContact O-N 3.08Å; L71-N73 VanDerWaalsContact C-N 3.34Å; L71-N73 PolarHBondContact O-N 3.28Å; L71-I74 VanDerWaalsContact O-CG2 3.29Å; L71-I74 WeakPolarHBondContact O-CG2 3.31Å; L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CG-CD1 3.89Å; L71-I75 WeakPolarHBondContact O-CB 3.48Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.2Å; L71-I75 PolarHBondContact O-N 3.36Å; L71-I75 VanDerWaalsContact O-N 3.09Å
72F85.3Confident83.7Confident41 Ų4146 Ų4618%0.1824%0.237CC..Hα-helixtrans-65.7-40.4179.2-74.9-61.4000111.9F68 S69 F70 I75 F76 F143 F160 L164F68-F72 HydrophobicContact CB-CE2 4.46Å; F68-F72 HydrophobicContact CD1-CE2 4.32Å; F68-F72 WeakPolarHBondContact O-CD2 3.5Å; F68-F72 PolarHBondContact O-N 3.05Å; F68-F72 VanDerWaalsContact O-N 3.08Å; S69-F72 PolarHBondContact O-N 2.96Å; F70-F72 PolarHBondContact O-N 3.33Å; F72-I75 PolarHBondContact O-N 3.11Å; F72-F76 HydrophobicContact CB-CD2 4.38Å; F72-F76 HydrophobicContact CB-CE2 4.06Å; F72-F76 WeakPolarHBondContact O-CD2 3.5Å; F72-F76 WeakPolarHBondContact O-CG 3.47Å; F72-F76 PolarHBondContact O-N 3.25Å; F72-F143 HydrophobicContact CD1-CZ 4.04Å; F72-F143 AromaticContact CE1-CE1 3.88Å; F72-F143 HydrophobicContact CE1-CE1 3.88Å; F72-F143 AromaticContact CE1-CZ 3.44Å; F72-F143 HydrophobicContact CE1-CZ 3.44Å; F72-F143 VanDerWaalsContact CE1-CZ 3.44Å; F72-F143 HydrophobicContact CZ-CE1 4.37Å; F72-F143 HydrophobicContact CZ-CZ 4.12Å; F72-F160 HydrophobicContact CB-CE1 3.97Å; F72-F160 HydrophobicContact CD1-CE1 4.25Å; F72-F160 HydrophobicContact CD1-CZ 4.44Å; F72-F160 AromaticContact CD2-CE1 3.73Å; F72-F160 HydrophobicContact CD2-CE1 3.73Å; F72-F160 AromaticContact CD2-CZ 3.76Å; F72-F160 HydrophobicContact CD2-CZ 3.76Å; F72-F160 HydrophobicContact CE2-CE1 4.3Å; F72-F160 AromaticContact CE2-CZ 3.86Å; F72-F160 HydrophobicContact CE2-CZ 3.86Å; F72-F160 AromaticContact CG-CE1 3.71Å; F72-F160 HydrophobicContact CG-CE1 3.71Å; F72-F160 HydrophobicContact CG-CZ 4.08Å; F72-F160 HydrophobicContact CZ-CZ 4.26Å; F72-L164 HydrophobicContact CD2-CD1 4.37Å
73N85.5Confident84.1Confident13 Ų1348.5 Ų48.57%0.0725%0.25CC..Hα-helixtrans-69.1-38.7-178.2-72.7-54000113F63 S69 F70 L71 L77 Q121F63-N73 HydrophobicContact CD1-CB 3.92Å; S69-N73 WeakPolarHBondContact O-CB 3.4Å; S69-N73 PolarHBondContact O-N 3.25Å; S69-N73 VanDerWaalsContact O-N 3.12Å; S69-N73 PolarHBondContact O-ND2 3.02Å; S69-N73 PolarHBondContact OG-ND2 3.43Å; F70-N73 PolarHBondContact O-N 3.31Å; L71-N73 VanDerWaalsContact C-N 3.34Å; L71-N73 PolarHBondContact O-N 3.28Å; N73-L77 WeakPolarHBondContact O-CB 3.34Å; N73-L77 PolarHBondContact O-N 3.26Å; N73-Q121 PolarHBondContact ND2-NE2 2.76Å; N73-Q121 PolarHBondContact ND2-OE1 3.42Å; N73-Q121 VanDerWaalsContact ND2-OE1 3.14Å; N73-Q121 PolarHBondContact OD1-OE1 3.15Å
74I88.1Confident84.6Confident16 Ų1648.2 Ų48.28%0.08225%0.248CC..Hα-helixtrans-68.5-36.1174.2-161.576.3000111.7T20 C23 V24 F70 L71 L77 Y78T20-I74 HydrophobicContact CG2-CD1 4.13Å; T20-I74 HydrophobicContact CG2-CG1 4.13Å; C23-I74 HydrophobicContact CB-CD1 3.55Å; V24-I74 HydrophobicContact CG2-CD1 4.17Å; V24-I74 HydrophobicContact CG2-CG1 4.13Å; F70-I74 HydrophobicContact CE1-CB 4.47Å; F70-I74 HydrophobicContact CE1-CG2 4.2Å; F70-I74 HydrophobicContact CZ-CB 4.35Å; F70-I74 HydrophobicContact CZ-CD1 4.49Å; F70-I74 WeakPolarHBondContact O-CG2 3.13Å; F70-I74 PolarHBondContact O-N 2.9Å; L71-I74 VanDerWaalsContact O-CG2 3.29Å; L71-I74 WeakPolarHBondContact O-CG2 3.31Å; I74-L77 HydrophobicContact CD1-CD2 3.94Å; I74-Y78 VanDerWaalsContact O-CB 3.28Å; I74-Y78 WeakPolarHBondContact O-CB 3.33Å; I74-Y78 PolarHBondContact O-N 3.33Å
75I88.9Confident85Confident79 Ų7947.7 Ų47.741%0.40524%0.241SC..Hα-helixtrans-64.6-48.3175.7-71.4167.7000110.7L71 F72 Y78 R79L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CG-CD1 3.89Å; L71-I75 WeakPolarHBondContact O-CB 3.48Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.2Å; L71-I75 PolarHBondContact O-N 3.36Å; L71-I75 VanDerWaalsContact O-N 3.09Å; F72-I75 PolarHBondContact O-N 3.11Å; I75-Y78 PolarHBondContact O-N 3.43Å; I75-R79 VanDerWaalsContact O-CB 3.3Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 2.53Å
76F87.9Confident85.2Confident13 Ų1346.8 Ų46.86%0.05723%0.226CC..Hα-helixtrans-63.6-45.4178.1-70.1-48.9000111.1F72 Y78 R79 Y80 T124 F142 L157 F160F72-F76 HydrophobicContact CB-CD2 4.38Å; F72-F76 HydrophobicContact CB-CE2 4.06Å; F72-F76 WeakPolarHBondContact O-CD2 3.5Å; F72-F76 WeakPolarHBondContact O-CG 3.47Å; F72-F76 PolarHBondContact O-N 3.25Å; F76-Y78 PolarHBondContact O-N 3.41Å; F76-R79 PolarHBondContact O-N 3.42Å; F76-Y80 HydrophobicContact CB-CD2 4.1Å; F76-Y80 HydrophobicContact CB-CE2 4.04Å; F76-Y80 AromaticContact CD1-CE2 3.71Å; F76-Y80 HydrophobicContact CD1-CE2 3.71Å; F76-Y80 HydrophobicContact CG-CE2 4.24Å; F76-Y80 WeakPolarHBondContact O-CD2 3.5Å; F76-Y80 PolarHBondContact O-N 3.27Å; F76-T124 HydrophobicContact CB-CG2 4.2Å; F76-F142 AromaticContact CE1-CE2 3.77Å; F76-F142 HydrophobicContact CE1-CE2 3.77Å; F76-F142 HydrophobicContact CE2-CE2 4.48Å; F76-F142 AromaticContact CZ-CE2 3.44Å; F76-F142 HydrophobicContact CZ-CE2 3.44Å; F76-F142 VanDerWaalsContact CZ-CE2 3.44Å; F76-F142 AromaticContact CZ-CZ 3.77Å; F76-F142 HydrophobicContact CZ-CZ 3.77Å; F76-L157 HydrophobicContact CD1-CD2 4.21Å; F76-L157 HydrophobicContact CD2-CD1 4.5Å; F76-L157 HydrophobicContact CD2-CD2 3.85Å; F76-L157 HydrophobicContact CE1-CD2 3.92Å; F76-L157 HydrophobicContact CE2-CD2 3.54Å; F76-L157 HydrophobicContact CG-CD1 4.36Å; F76-L157 HydrophobicContact CG-CD2 4.2Å; F76-L157 HydrophobicContact CZ-CD2 3.59Å; F76-F160 HydrophobicContact CE2-CD1 4.47Å
77L89.4Confident85.2Confident1 Ų145 Ų451%0.00523%0.23CC..Hα-helixtrans-53.9-56.9175.2176.971.7000111.2Y19 F63 N73 I74 R79 Y80 C81 T124 L127Y19-L77 HydrophobicContact CD1-CD1 3.91Å; Y19-L77 HydrophobicContact CD1-CD2 3.7Å; Y19-L77 HydrophobicContact CD1-CG 4.08Å; Y19-L77 HydrophobicContact CE1-CD1 3.46Å; Y19-L77 VanDerWaalsContact CE1-CD1 3.46Å; Y19-L77 HydrophobicContact CE1-CD2 3.47Å; Y19-L77 VanDerWaalsContact CE1-CD2 3.47Å; Y19-L77 HydrophobicContact CE1-CG 3.93Å; F63-L77 HydrophobicContact CE2-CD2 4.05Å; F63-L77 HydrophobicContact CZ-CD2 3.78Å; N73-L77 WeakPolarHBondContact O-CB 3.34Å; N73-L77 PolarHBondContact O-N 3.26Å; I74-L77 HydrophobicContact CD1-CD2 3.94Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.11Å; L77-Y80 PolarHBondContact O-N 3.49Å; L77-C81 VanDerWaalsContact CD1-SG 3.59Å; L77-C81 WeakPolarHBondContact O-CB 3.48Å; L77-C81 PolarHBondContact O-N 3.3Å; L77-C81 PolarHBondContact O-SG 2.7Å; L77-T124 HydrophobicContact CB-CG2 4.15Å; L77-T124 WeakPolarHBondContact CD1-OG1 3.45Å; L77-L127 HydrophobicContact CD1-CD1 3.81Å
78Y89.1Confident84.6Confident70 Ų7044.6 Ų44.628%0.27522%0.221SC..Hα-helixtrans-55.9-48.3-179.2168.5-107.4000111.7I12 T16 T20 I74 I75 F76 R82I12-Y78 HydrophobicContact CD1-CE2 3.76Å; I12-Y78 HydrophobicContact CG1-CE2 3.99Å; I12-Y78 HydrophobicContact CG2-CE2 3.84Å; T16-Y78 HydrophobicContact CG2-CD2 3.96Å; T16-Y78 HydrophobicContact CG2-CE2 4.27Å; T20-Y78 HydrophobicContact CG2-CD2 4.34Å; I74-Y78 VanDerWaalsContact O-CB 3.28Å; I74-Y78 WeakPolarHBondContact O-CB 3.33Å; I74-Y78 PolarHBondContact O-N 3.33Å; I75-Y78 PolarHBondContact O-N 3.43Å; F76-Y78 PolarHBondContact O-N 3.41Å; Y78-R82 VanDerWaalsContact O-CB 3.27Å; Y78-R82 WeakPolarHBondContact O-CB 3.36Å; Y78-R82 PolarHBondContact O-N 3.24Å; Y78-R82 PolarHBondContact OH-NH1 3.35Å
79R87.8Confident83.8Confident110 Ų11037.2 Ų37.242%0.41519%0.188SC..Hα-helixtrans-60.7-51-179178.5177.6172.6167.3-1.5111.8I75 F76 L77 R82 M83I75-R79 VanDerWaalsContact O-CB 3.3Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 2.53Å; F76-R79 PolarHBondContact O-N 3.42Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.11Å; R79-R82 PolarHBondContact O-N 2.88Å; R79-M83 HydrophobicContact CG-SD 4.03Å; R79-M83 VanDerWaalsContact O-CG 3.22Å; R79-M83 WeakPolarHBondContact O-CG 3.39Å; R79-M83 PolarHBondContact O-N 3.34Å
80Y87.4Confident83Confident3 Ų345.8 Ų45.81%0.01222%0.217CC..Hα-helixtrans-78.8-32.6-174.3-64.3-64.4000112.9F76 L77 R82 M83 L84 V128 W131 M140 L153 L157F76-Y80 HydrophobicContact CB-CD2 4.1Å; F76-Y80 HydrophobicContact CB-CE2 4.04Å; F76-Y80 AromaticContact CD1-CE2 3.71Å; F76-Y80 HydrophobicContact CD1-CE2 3.71Å; F76-Y80 HydrophobicContact CG-CE2 4.24Å; F76-Y80 WeakPolarHBondContact O-CD2 3.5Å; F76-Y80 PolarHBondContact O-N 3.27Å; L77-Y80 PolarHBondContact O-N 3.49Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; Y80-M83 HydrophobicContact CD1-SD 4.33Å; Y80-M83 HydrophobicContact CE1-SD 4.5Å; Y80-M83 PolarHBondContact O-N 2.82Å; Y80-L84 WeakPolarHBondContact O-CB 3.5Å; Y80-L84 WeakPolarHBondContact O-CG 3.35Å; Y80-L84 PolarHBondContact O-N 3.2Å; Y80-V128 HydrophobicContact CD2-CB 4.3Å; Y80-V128 HydrophobicContact CD2-CG1 4.42Å; Y80-V128 HydrophobicContact CD2-CG2 3.27Å; Y80-V128 HydrophobicContact CE2-CG1 4.34Å; Y80-V128 HydrophobicContact CE2-CG2 3.77Å; Y80-V128 HydrophobicContact CG-CG2 3.81Å; Y80-W131 AromaticContact CD1-CD2 3.86Å; Y80-W131 HydrophobicContact CD1-CD2 3.86Å; Y80-W131 AromaticContact CD1-CE3 3.66Å; Y80-W131 HydrophobicContact CD1-CE3 3.66Å; Y80-W131 HydrophobicContact CD1-CG 4.29Å; Y80-W131 HydrophobicContact CD1-CZ3 4.22Å; Y80-W131 HydrophobicContact CE1-CD2 4.23Å; Y80-W131 AromaticContact CE1-CE3 3.64Å; Y80-W131 HydrophobicContact CE1-CE3 3.64Å; Y80-W131 HydrophobicContact CE1-CH2 4.4Å; Y80-W131 AromaticContact CE1-CZ3 3.74Å; Y80-W131 HydrophobicContact CE1-CZ3 3.74Å; Y80-M140 HydrophobicContact CE1-CE 3.8Å; Y80-L153 HydrophobicContact CE1-CD1 4.16Å; Y80-L153 HydrophobicContact CE1-CD2 4.31Å; Y80-L153 HydrophobicContact CE2-CD2 3.95Å; Y80-L153 WeakPolarHBondContact OH-CD1 3.33Å; Y80-L153 VanDerWaalsContact OH-CD2 3.24Å; Y80-L153 WeakPolarHBondContact OH-CD2 3.3Å; Y80-L157 HydrophobicContact CE2-CD1 4.36Å
81C86.7Confident81.9Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-55.1-52.2167.5-78.50000110.4T16 L77 M83 L84 E85 L127T16-C81 HydrophobicContact CG2-CB 3.61Å; T16-C81 VanDerWaalsContact OG1-C 3.28Å; T16-C81 WeakPolarHBondContact OG1-CB 3.49Å; T16-C81 PolarHBondContact OG1-O 3.03Å; L77-C81 VanDerWaalsContact CD1-SG 3.59Å; L77-C81 WeakPolarHBondContact O-CB 3.48Å; L77-C81 PolarHBondContact O-N 3.3Å; L77-C81 PolarHBondContact O-SG 2.7Å; C81-M83 PolarHBondContact O-N 2.86Å; C81-L84 PolarHBondContact O-N 3.46Å; C81-L84 VanDerWaalsContact O-N 3.17Å; C81-E85 PolarHBondContact O-N 2.99Å; C81-L127 WeakPolarHBondContact SG-CD1 3.41Å
82R85Confident81.1Confident75 Ų7549 Ų4928%0.28324%0.241SC..Hα-helixtrans-60-46.2180-174.8176.1178.11773.1111.9P13 T16 Y78 R79 Y80 L84 E85 E86P13-R82 HydrophobicContact CG-CG 4.23Å; T16-R82 HydrophobicContact CG2-CB 4.13Å; T16-R82 PolarHBondContact OG1-N 3.2Å; Y78-R82 VanDerWaalsContact O-CB 3.27Å; Y78-R82 WeakPolarHBondContact O-CB 3.36Å; Y78-R82 PolarHBondContact O-N 3.24Å; Y78-R82 PolarHBondContact OH-NH1 3.35Å; R79-R82 PolarHBondContact O-N 2.88Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; R82-L84 VanDerWaalsContact C-N 3.27Å; R82-L84 PolarHBondContact O-N 3Å; R82-E85 PolarHBondContact O-N 2.87Å; R82-E86 HydrophobicContact CG-CG 4.22Å; R82-E86 WeakPolarHBondContact CG-OE2 3.48Å; R82-E86 IonicContact CZ-OE1 3.06Å; R82-E86 IonicContact CZ-OE2 3.83Å; R82-E86 VanDerWaalsContact NE-CD 3.29Å; R82-E86 IonicContact NE-OE1 3.12Å; R82-E86 PolarHBondContact NE-OE1 3.46Å; R82-E86 IonicContact NE-OE2 2.87Å; R82-E86 PolarHBondContact NE-OE2 2.9Å; R82-E86 IonicContact NH2-OE1 3.65Å; R82-E86 PolarHBondContact NH2-OE1 3.21Å; R82-E86 VanDerWaalsContact NH2-OE1 3.12Å; R82-E86 IonicContact NH2-OE2 3.76Å; R82-E86 WeakPolarHBondContact O-CB 3.29Å; R82-E86 PolarHBondContact O-N 3.3Å
83M85Confident80.6Confident60 Ų6048.5 Ų48.530%0.29624%0.241SC..Hα-helixtrans-65-29.5179.3-69.7-179.883.100113R79 Y80 C81 G87 W131R79-M83 HydrophobicContact CG-SD 4.03Å; R79-M83 VanDerWaalsContact O-CG 3.22Å; R79-M83 WeakPolarHBondContact O-CG 3.39Å; R79-M83 PolarHBondContact O-N 3.34Å; Y80-M83 HydrophobicContact CD1-SD 4.33Å; Y80-M83 HydrophobicContact CE1-SD 4.5Å; Y80-M83 PolarHBondContact O-N 2.82Å; C81-M83 PolarHBondContact O-N 2.86Å; M83-G87 VanDerWaalsContact O-CA 3.27Å; M83-G87 WeakPolarHBondContact O-CA 3.33Å; M83-G87 PolarHBondContact O-N 2.97Å; M83-G87 VanDerWaalsContact O-N 3.08Å; M83-W131 HydrophobicContact CE-CH2 4.1Å; M83-W131 HydrophobicContact CE-CZ2 3.21Å; M83-W131 HydrophobicContact SD-CZ2 4.03Å
84L84.3Confident79.9Confident0 Ų047.9 Ų47.90%024%0.238CC..Iπ-helixtrans-73.7-47.5172.9-79.7163.1000111.8Y80 C81 R82 S88 F89 F96 M99 L127 V130 W131Y80-L84 WeakPolarHBondContact O-CB 3.5Å; Y80-L84 WeakPolarHBondContact O-CG 3.35Å; Y80-L84 PolarHBondContact O-N 3.2Å; C81-L84 PolarHBondContact O-N 3.46Å; C81-L84 VanDerWaalsContact O-N 3.17Å; R82-L84 VanDerWaalsContact C-N 3.27Å; R82-L84 PolarHBondContact O-N 3Å; L84-S88 PolarHBondContact O-N 3.4Å; L84-F89 HydrophobicContact CB-CD2 4.39Å; L84-F89 HydrophobicContact CD2-CE2 4.23Å; L84-F89 WeakPolarHBondContact O-CD2 2.9Å; L84-F89 PolarHBondContact O-N 3.43Å; L84-F96 HydrophobicContact CB-CD2 4.26Å; L84-F96 HydrophobicContact CB-CE2 3.6Å; L84-F96 HydrophobicContact CB-CZ 4.48Å; L84-F96 HydrophobicContact CD1-CE2 4.37Å; L84-M99 HydrophobicContact CD1-CE 4.22Å; L84-L127 HydrophobicContact CD1-CB 3.95Å; L84-L127 HydrophobicContact CD1-CD2 4.06Å; L84-L127 WeakPolarHBondContact CD1-O 3.41Å; L84-V130 HydrophobicContact CD2-CG1 4.25Å; L84-W131 HydrophobicContact CD1-CB 4.16Å; L84-W131 HydrophobicContact CD2-CB 3.8Å; L84-W131 HydrophobicContact CD2-CG 4.45Å; L84-W131 HydrophobicContact CG-CB 3.82Å; L84-W131 HydrophobicContact CG-CG 4.34Å
85E81.1Confident79.2Confident9 Ų947.4 Ų47.44%0.04224%0.236CC..Iπ-helixtrans-68.6-43.2-176.7-163.2173166.800111.9P13 S14 V15 T16 C81 R82 F89 R90 F96P13-E85 HydrophobicContact CB-CB 4.06Å; P13-E85 HydrophobicContact CB-CG 3.63Å; P13-E85 WeakPolarHBondContact CB-OE1 3.35Å; P13-E85 VanDerWaalsContact CB-OE2 3.23Å; P13-E85 WeakPolarHBondContact CB-OE2 3.26Å; P13-E85 HydrophobicContact CG-CB 4.35Å; P13-E85 HydrophobicContact CG-CG 4.37Å; S14-E85 PolarHBondContact N-OE1 2.89Å; V15-E85 WeakPolarHBondContact CB-OE1 3.4Å; V15-E85 PolarHBondContact N-OE1 3.34Å; T16-E85 VanDerWaalsContact CB-OE2 3.27Å; T16-E85 WeakPolarHBondContact CB-OE2 3.34Å; T16-E85 PolarHBondContact N-OE2 3.2Å; T16-E85 PolarHBondContact OG1-OE2 3.12Å; C81-E85 PolarHBondContact O-N 2.99Å; R82-E85 PolarHBondContact O-N 2.87Å; E85-F89 CarbonylContact O-C 3.3Å; E85-F89 VanDerWaalsContact O-C 3.3Å; E85-R90 PolarHBondContact O-N 3.45Å; E85-F96 HydrophobicContact CB-CD1 4.35Å; E85-F96 HydrophobicContact CB-CE1 4.13Å; E85-F96 HydrophobicContact CB-CE2 4.45Å; E85-F96 HydrophobicContact CB-CZ 4.16Å; E85-F96 HydrophobicContact CG-CD1 4.09Å; E85-F96 HydrophobicContact CG-CE1 4.21Å
86E80.1Confident78.9Confident75 Ų7543.7 Ų43.735%0.3522%0.216SC..Iπ-helixtrans-82-26.9177.7-66.5176.6167.600113.5P13 R82 R90P13-E86 WeakPolarHBondContact CD-OE1 2.77Å; P13-E86 HydrophobicContact CG-CG 3.4Å; P13-E86 VanDerWaalsContact CG-CG 3.4Å; R82-E86 HydrophobicContact CG-CG 4.22Å; R82-E86 WeakPolarHBondContact CG-OE2 3.48Å; R82-E86 IonicContact CZ-OE1 3.06Å; R82-E86 IonicContact CZ-OE2 3.83Å; R82-E86 VanDerWaalsContact NE-CD 3.29Å; R82-E86 IonicContact NE-OE1 3.12Å; R82-E86 PolarHBondContact NE-OE1 3.46Å; R82-E86 IonicContact NE-OE2 2.87Å; R82-E86 PolarHBondContact NE-OE2 2.9Å; R82-E86 IonicContact NH2-OE1 3.65Å; R82-E86 PolarHBondContact NH2-OE1 3.21Å; R82-E86 VanDerWaalsContact NH2-OE1 3.12Å; R82-E86 IonicContact NH2-OE2 3.76Å; R82-E86 WeakPolarHBondContact O-CB 3.29Å; R82-E86 PolarHBondContact O-N 3.3Å; E86-R90 WeakPolarHBondContact O-CB 3.23Å; E86-R90 WeakPolarHBondContact O-CD 3.35Å
87G77Confident78.6Confident54 Ų5444.2 Ų44.256%0.55722%0.221SC*.Iπ-helixtrans-95.8-71.1-174.500000112.4M83M83-G87 VanDerWaalsContact O-CA 3.27Å; M83-G87 WeakPolarHBondContact O-CA 3.33Å; M83-G87 PolarHBondContact O-N 2.97Å; M83-G87 VanDerWaalsContact O-N 3.08Å
88S68.8Low78.1Confident29 Ų2946.8 Ų46.820%0.20323%0.231CC..Iπ-helixtrans-80.6-27.5-171.9-60.50000114.1L84L84-S88 PolarHBondContact O-N 3.4Å
89F67.6Low77.9Confident3 Ų343.4 Ų43.41%0.01322%0.217CC..SBendtrans-119.826.3-174.9-64.2-78.5000113.1L84 E85 G91 R92 D95 F96 M99L84-F89 HydrophobicContact CB-CD2 4.39Å; L84-F89 HydrophobicContact CD2-CE2 4.23Å; L84-F89 WeakPolarHBondContact O-CD2 2.9Å; L84-F89 PolarHBondContact O-N 3.43Å; E85-F89 CarbonylContact O-C 3.3Å; E85-F89 VanDerWaalsContact O-C 3.3Å; F89-G91 PolarHBondContact O-N 2.94Å; F89-R92 CarbonylContact O-C 3.5Å; F89-R92 PolarHBondContact O-N 3.42Å; F89-D95 HydrophobicContact CD1-CB 3.61Å; F89-D95 HydrophobicContact CE1-CB 3.71Å; F89-F96 HydrophobicContact CB-CB 3.95Å; F89-F96 HydrophobicContact CD1-CB 4.41Å; F89-F96 HydrophobicContact CD2-CB 4.17Å; F89-F96 AromaticContact CD2-CD2 3.57Å; F89-F96 HydrophobicContact CD2-CD2 3.57Å; F89-F96 HydrophobicContact CD2-CE2 4.45Å; F89-F96 HydrophobicContact CD2-CG 4.33Å; F89-F96 AromaticContact CE2-CD2 3.9Å; F89-F96 HydrophobicContact CE2-CD2 3.9Å; F89-F96 HydrophobicContact CG-CB 3.96Å; F89-F96 HydrophobicContact CG-CD2 4.22Å; F89-M99 HydrophobicContact CE2-CE 4.06Å; F89-M99 HydrophobicContact CE2-SD 3.78Å; F89-M99 HydrophobicContact CZ-CB 4.39Å; F89-M99 HydrophobicContact CZ-SD 3.9Å
90R64.2Low77.8Confident206 Ų20639.4 Ų39.478%0.77720%0.203SC*.THydrogen-bonded Turntrans-59.5120.9179.1-163.8175.3177.8163.9-2110.2E85 E86 R92E85-R90 PolarHBondContact O-N 3.45Å; E86-R90 WeakPolarHBondContact O-CB 3.23Å; E86-R90 WeakPolarHBondContact O-CD 3.35Å; R90-R92 VanDerWaalsContact C-N 3.26Å; R90-R92 PolarHBondContact O-N 2.95Å
91G63.5Low77.6Confident59 Ų5943.8 Ų43.861%0.60823%0.226SC*.THydrogen-bonded Turntrans74.48.7-177.600000115.1F89F89-G91 PolarHBondContact O-N 2.94Å
92R70.3Confident77.6Confident113 Ų11346 Ų4643%0.42624%0.236SC..  trans-133.159.5175.4-67.9-176.2-73.5152-11.4109.9F89 R90 A94 D95 F96F89-R92 CarbonylContact O-C 3.5Å; F89-R92 PolarHBondContact O-N 3.42Å; R90-R92 VanDerWaalsContact C-N 3.26Å; R90-R92 PolarHBondContact O-N 2.95Å; R92-A94 PolarHBondContact O-N 3.15Å; R92-D95 HydrophobicContact CB-CB 4.14Å; R92-D95 WeakPolarHBondContact CD-OD2 3.45Å; R92-D95 IonicContact CZ-OD2 3.85Å; R92-D95 IonicContact NE-OD2 3.94Å; R92-D95 IonicContact NH1-OD2 3.05Å; R92-D95 PolarHBondContact NH1-OD2 2.96Å; R92-D95 PolarHBondContact O-N 3.08Å; R92-D95 VanDerWaalsContact O-N 3.12Å; R92-F96 PolarHBondContact O-N 3.49Å
93T74.1Confident77.6Confident30 Ų3042.5 Ų42.518%0.18422%0.223CC..Hα-helixtrans-61.1-31.6179.646.10000111.1D95 F96 V97 F208T93-D95 PolarHBondContact O-N 2.85Å; T93-F96 WeakPolarHBondContact O-CB 3.14Å; T93-F96 PolarHBondContact O-N 3.41Å; T93-V97 WeakPolarHBondContact O-CG2 3.17Å; T93-V97 PolarHBondContact O-N 3.3Å; T93-F208 PolarHBondContact OG1-O 3.16Å
94A71.4Confident77.6Confident0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-55.9-45.7172.300000112.7R92 F96 V97 Y98 T200 L204 R205 F208R92-A94 PolarHBondContact O-N 3.15Å; A94-F96 VanDerWaalsContact C-N 3.32Å; A94-F96 PolarHBondContact O-N 3.17Å; A94-V97 PolarHBondContact O-N 3.48Å; A94-Y98 WeakPolarHBondContact O-CB 3.27Å; A94-Y98 PolarHBondContact O-N 2.92Å; A94-T200 HydrophobicContact CB-CG2 4.09Å; A94-L204 HydrophobicContact CB-CB 4.16Å; A94-L204 WeakPolarHBondContact O-CD2 3.39Å; A94-R205 HydrophobicContact CB-CG 4.23Å; A94-F208 HydrophobicContact CB-CB 4.29Å
95D74.7Confident77.6Confident7 Ų745.1 Ų45.14%0.03724%0.244CC..Hα-helixtrans-66-36.4178.7-69.4-3.4000111.2F89 R92 T93 Y98 M99 T200F89-D95 HydrophobicContact CD1-CB 3.61Å; F89-D95 HydrophobicContact CE1-CB 3.71Å; R92-D95 HydrophobicContact CB-CB 4.14Å; R92-D95 WeakPolarHBondContact CD-OD2 3.45Å; R92-D95 IonicContact CZ-OD2 3.85Å; R92-D95 IonicContact NE-OD2 3.94Å; R92-D95 IonicContact NH1-OD2 3.05Å; R92-D95 PolarHBondContact NH1-OD2 2.96Å; R92-D95 PolarHBondContact O-N 3.08Å; R92-D95 VanDerWaalsContact O-N 3.12Å; T93-D95 PolarHBondContact O-N 2.85Å; D95-Y98 PolarHBondContact O-N 2.88Å; D95-M99 PolarHBondContact O-N 3.03Å; D95-T200 WeakPolarHBondContact OD1-CB 3.23Å; D95-T200 WeakPolarHBondContact OD1-CG2 3.27Å; D95-T200 PolarHBondContact OD1-OG1 2.8Å
96F81Confident77.9Confident0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-67.6-44.3176.6-174.9-113.6000112.4V15 L84 E85 F89 R92 T93 A94 Y98 M99 F100V15-F96 HydrophobicContact CB-CD1 3.78Å; V15-F96 HydrophobicContact CB-CE1 3.73Å; V15-F96 HydrophobicContact CG1-CD1 3.69Å; V15-F96 HydrophobicContact CG1-CE1 3.53Å; V15-F96 HydrophobicContact CG2-CD1 4.17Å; L84-F96 HydrophobicContact CB-CD2 4.26Å; L84-F96 HydrophobicContact CB-CE2 3.6Å; L84-F96 HydrophobicContact CB-CZ 4.48Å; L84-F96 HydrophobicContact CD1-CE2 4.37Å; E85-F96 HydrophobicContact CB-CD1 4.35Å; E85-F96 HydrophobicContact CB-CE1 4.13Å; E85-F96 HydrophobicContact CB-CE2 4.45Å; E85-F96 HydrophobicContact CB-CZ 4.16Å; E85-F96 HydrophobicContact CG-CD1 4.09Å; E85-F96 HydrophobicContact CG-CE1 4.21Å; F89-F96 HydrophobicContact CB-CB 3.95Å; F89-F96 HydrophobicContact CD1-CB 4.41Å; F89-F96 HydrophobicContact CD2-CB 4.17Å; F89-F96 AromaticContact CD2-CD2 3.57Å; F89-F96 HydrophobicContact CD2-CD2 3.57Å; F89-F96 HydrophobicContact CD2-CE2 4.45Å; F89-F96 HydrophobicContact CD2-CG 4.33Å; F89-F96 AromaticContact CE2-CD2 3.9Å; F89-F96 HydrophobicContact CE2-CD2 3.9Å; F89-F96 HydrophobicContact CG-CB 3.96Å; F89-F96 HydrophobicContact CG-CD2 4.22Å; R92-F96 PolarHBondContact O-N 3.49Å; T93-F96 WeakPolarHBondContact O-CB 3.14Å; T93-F96 PolarHBondContact O-N 3.41Å; A94-F96 VanDerWaalsContact C-N 3.32Å; A94-F96 PolarHBondContact O-N 3.17Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 3.49Å; F96-M99 HydrophobicContact CD2-CE 3.52Å; F96-M99 HydrophobicContact CE2-CE 3.49Å; F96-M99 VanDerWaalsContact CE2-CE 3.49Å; F96-M99 WeakPolarHBondContact O-CB 3.17Å; F96-M99 PolarHBondContact O-N 3.24Å; F96-F100 HydrophobicContact CD1-CD2 4.38Å; F96-F100 HydrophobicContact CD1-CE2 4.2Å; F96-F100 HydrophobicContact CD2-CD2 4.47Å; F96-F100 HydrophobicContact CD2-CE2 4.19Å; F96-F100 HydrophobicContact CE1-CD2 4.13Å; F96-F100 AromaticContact CE1-CE2 3.52Å; F96-F100 HydrophobicContact CE1-CE2 3.52Å; F96-F100 AromaticContact CE1-CZ 3.91Å; F96-F100 HydrophobicContact CE1-CZ 3.91Å; F96-F100 HydrophobicContact CE2-CD2 4.22Å; F96-F100 AromaticContact CE2-CE2 3.53Å; F96-F100 HydrophobicContact CE2-CE2 3.53Å; F96-F100 HydrophobicContact CE2-CZ 4.41Å; F96-F100 HydrophobicContact CZ-CD2 4.07Å; F96-F100 AromaticContact CZ-CE2 3.16Å; F96-F100 HydrophobicContact CZ-CE2 3.16Å; F96-F100 AromaticContact CZ-CZ 3.66Å; F96-F100 HydrophobicContact CZ-CZ 3.66Å; F96-F100 WeakPolarHBondContact O-CD2 3.4Å; F96-F100 PolarHBondContact O-N 2.87Å; F96-F100 VanDerWaalsContact O-N 3.08Å
97V81.3Confident78.2Confident25 Ų2542.3 Ų42.315%0.15223%0.232CC..Hα-helixtrans-64.4-38.8175176.70000110.5V15 T93 A94 M99 F100 L101 L204V15-V97 HydrophobicContact CG1-CG2 4.36Å; V15-V97 HydrophobicContact CG2-CG2 3.84Å; T93-V97 WeakPolarHBondContact O-CG2 3.17Å; T93-V97 PolarHBondContact O-N 3.3Å; A94-V97 PolarHBondContact O-N 3.48Å; V97-M99 PolarHBondContact O-N 3.28Å; V97-F100 WeakPolarHBondContact O-CB 3.45Å; V97-F100 PolarHBondContact O-N 3.12Å; V97-F100 VanDerWaalsContact O-N 3.15Å; V97-L101 HydrophobicContact CG1-CD1 4.24Å; V97-L101 HydrophobicContact CG1-CG 4.41Å; V97-L101 WeakPolarHBondContact O-CG 3.27Å; V97-L101 PolarHBondContact O-N 3.12Å; V97-L204 HydrophobicContact CB-CD2 3.94Å; V97-L204 HydrophobicContact CG1-CD2 3.82Å
98Y79Confident78.4Confident54 Ų5440.9 Ų40.921%0.21221%0.212CC..Hα-helixtrans-63.3-40.6175.9-171.8-105.8000112.3A94 D95 F96 F100 L101 F102 L198 T200 P201A94-Y98 WeakPolarHBondContact O-CB 3.27Å; A94-Y98 PolarHBondContact O-N 2.92Å; D95-Y98 PolarHBondContact O-N 2.88Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 3.49Å; Y98-F100 VanDerWaalsContact C-N 3.31Å; Y98-F100 PolarHBondContact O-N 2.6Å; Y98-L101 PolarHBondContact O-N 3.41Å; Y98-F102 WeakPolarHBondContact O-CB 3.49Å; Y98-F102 PolarHBondContact O-N 3.42Å; Y98-L198 HydrophobicContact CE1-CB 4.01Å; Y98-L198 HydrophobicContact CE1-CD2 3.7Å; Y98-L198 HydrophobicContact CE1-CG 4.41Å; Y98-T200 HydrophobicContact CG-CG2 4.31Å; Y98-P201 HydrophobicContact CD2-CG 4.27Å; Y98-P201 HydrophobicContact CE2-CG 4.29Å
99M84.9Confident79.1Confident0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-57.8-43.1170.8-179.4-17369.200112L84 F89 D95 F96 V97 G103 M126 L127 V130 Y181L84-M99 HydrophobicContact CD1-CE 4.22Å; F89-M99 HydrophobicContact CE2-CE 4.06Å; F89-M99 HydrophobicContact CE2-SD 3.78Å; F89-M99 HydrophobicContact CZ-CB 4.39Å; F89-M99 HydrophobicContact CZ-SD 3.9Å; D95-M99 PolarHBondContact O-N 3.03Å; F96-M99 HydrophobicContact CD2-CE 3.52Å; F96-M99 HydrophobicContact CE2-CE 3.49Å; F96-M99 VanDerWaalsContact CE2-CE 3.49Å; F96-M99 WeakPolarHBondContact O-CB 3.17Å; F96-M99 PolarHBondContact O-N 3.24Å; V97-M99 PolarHBondContact O-N 3.28Å; M99-G103 PolarHBondContact O-N 2.9Å; M99-M126 HydrophobicContact CG-CE 4.05Å; M99-L127 HydrophobicContact CE-CD2 3.44Å; M99-L127 VanDerWaalsContact CE-CD2 3.44Å; M99-L127 HydrophobicContact SD-CD2 4.5Å; M99-V130 HydrophobicContact SD-CB 4.46Å; M99-V130 HydrophobicContact SD-CG1 3.98Å; M99-Y181 HydrophobicContact CB-CE1 4.27Å; M99-Y181 HydrophobicContact CB-CE2 3.8Å; M99-Y181 WeakPolarHBondContact CB-OH 3.35Å; M99-Y181 HydrophobicContact CG-CD1 4.07Å; M99-Y181 HydrophobicContact CG-CD2 4.16Å; M99-Y181 HydrophobicContact CG-CE1 3.6Å; M99-Y181 HydrophobicContact CG-CE2 3.67Å; M99-Y181 HydrophobicContact CG-CG 4.34Å; M99-Y181 HydrophobicContact SD-CD1 4.35Å; M99-Y181 HydrophobicContact SD-CE1 3.78Å
100F86.1Confident79.8Confident26 Ų2647.2 Ų47.211%0.11424%0.24CC..Hα-helixtrans-61.5-46.1176.8-91.8-122.9000111.6Y19 F96 V97 Y98 G104 F123 L127Y19-F100 HydrophobicContact CD1-CE1 4.12Å; Y19-F100 HydrophobicContact CD2-CD1 4.5Å; Y19-F100 AromaticContact CD2-CE1 3.98Å; Y19-F100 HydrophobicContact CD2-CE1 3.98Å; Y19-F100 HydrophobicContact CE1-CE1 4.41Å; Y19-F100 HydrophobicContact CE2-CE1 4.27Å; Y19-F100 AromaticContact CG-CE1 3.9Å; Y19-F100 HydrophobicContact CG-CE1 3.9Å; F96-F100 HydrophobicContact CD1-CD2 4.38Å; F96-F100 HydrophobicContact CD1-CE2 4.2Å; F96-F100 HydrophobicContact CD2-CD2 4.47Å; F96-F100 HydrophobicContact CD2-CE2 4.19Å; F96-F100 HydrophobicContact CE1-CD2 4.13Å; F96-F100 AromaticContact CE1-CE2 3.52Å; F96-F100 HydrophobicContact CE1-CE2 3.52Å; F96-F100 AromaticContact CE1-CZ 3.91Å; F96-F100 HydrophobicContact CE1-CZ 3.91Å; F96-F100 HydrophobicContact CE2-CD2 4.22Å; F96-F100 AromaticContact CE2-CE2 3.53Å; F96-F100 HydrophobicContact CE2-CE2 3.53Å; F96-F100 HydrophobicContact CE2-CZ 4.41Å; F96-F100 HydrophobicContact CZ-CD2 4.07Å; F96-F100 AromaticContact CZ-CE2 3.16Å; F96-F100 HydrophobicContact CZ-CE2 3.16Å; F96-F100 AromaticContact CZ-CZ 3.66Å; F96-F100 HydrophobicContact CZ-CZ 3.66Å; F96-F100 WeakPolarHBondContact O-CD2 3.4Å; F96-F100 PolarHBondContact O-N 2.87Å; F96-F100 VanDerWaalsContact O-N 3.08Å; V97-F100 WeakPolarHBondContact O-CB 3.45Å; V97-F100 PolarHBondContact O-N 3.12Å; V97-F100 VanDerWaalsContact O-N 3.15Å; Y98-F100 VanDerWaalsContact C-N 3.31Å; Y98-F100 PolarHBondContact O-N 2.6Å; F100-G104 PolarHBondContact O-N 3.43Å; F100-F123 HydrophobicContact CB-CZ 4.21Å; F100-F123 AromaticContact CD1-CE1 3.72Å; F100-F123 HydrophobicContact CD1-CE1 3.72Å; F100-F123 AromaticContact CD1-CZ 3.46Å; F100-F123 HydrophobicContact CD1-CZ 3.46Å; F100-F123 VanDerWaalsContact CD1-CZ 3.46Å; F100-F123 HydrophobicContact CD2-CZ 4.04Å; F100-F123 AromaticContact CE1-CE1 3.46Å; F100-F123 HydrophobicContact CE1-CE1 3.46Å; F100-F123 VanDerWaalsContact CE1-CE1 3.46Å; F100-F123 AromaticContact CE1-CZ 3.69Å; F100-F123 HydrophobicContact CE1-CZ 3.69Å; F100-F123 HydrophobicContact CE2-CE1 4.37Å; F100-F123 HydrophobicContact CE2-CZ 4.21Å; F100-F123 HydrophobicContact CG-CE1 4.3Å; F100-F123 AromaticContact CG-CZ 3.65Å; F100-F123 HydrophobicContact CG-CZ 3.65Å; F100-F123 AromaticContact CZ-CE1 3.82Å; F100-F123 HydrophobicContact CZ-CE1 3.82Å; F100-F123 HydrophobicContact CZ-CZ 4.06Å; F100-L127 HydrophobicContact CD2-CD2 4.22Å; F100-L127 HydrophobicContact CE2-CD1 4.2Å; F100-L127 HydrophobicContact CE2-CD2 3.55Å; F100-L127 HydrophobicContact CZ-CD1 3.85Å; F100-L127 HydrophobicContact CZ-CD2 4.07Å
101L84.5Confident80.4Confident95 Ų9537.4 Ų37.450%0.49720%0.203SC..Hα-helixtrans-65.5-47.9178.8-69.3175.4000111.6V97 Y98 G104 V105 L204V97-L101 HydrophobicContact CG1-CD1 4.24Å; V97-L101 HydrophobicContact CG1-CG 4.41Å; V97-L101 WeakPolarHBondContact O-CG 3.27Å; V97-L101 PolarHBondContact O-N 3.12Å; Y98-L101 PolarHBondContact O-N 3.41Å; L101-G104 PolarHBondContact O-N 3.06Å; L101-V105 WeakPolarHBondContact O-CB 3.32Å; L101-V105 VanDerWaalsContact O-CG2 3.3Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 2.89Å; L101-L204 HydrophobicContact CD1-CD2 4.49Å
102F85.1Confident80.9Confident47 Ų4737.3 Ų37.321%0.20619%0.188CC..Hα-helixtrans-61.2-48.6178.1-179.5-88.9000111.3Y98 G104 V105 L106 Y181 L184 L198Y98-F102 WeakPolarHBondContact O-CB 3.49Å; Y98-F102 PolarHBondContact O-N 3.42Å; F102-G104 VanDerWaalsContact C-N 3.33Å; F102-G104 PolarHBondContact O-N 3.48Å; F102-V105 PolarHBondContact O-N 3.24Å; F102-L106 HydrophobicContact CE1-CD2 3.84Å; F102-L106 HydrophobicContact CZ-CD2 4.17Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.48Å; F102-Y181 AromaticContact CD1-CD2 3.56Å; F102-Y181 HydrophobicContact CD1-CD2 3.56Å; F102-Y181 HydrophobicContact CD1-CE2 4.42Å; F102-Y181 HydrophobicContact CD1-CG 4.43Å; F102-Y181 HydrophobicContact CE1-CD2 4.06Å; F102-Y181 HydrophobicContact CG-CD2 4.26Å; F102-L184 HydrophobicContact CE2-CD1 4.5Å; F102-L184 HydrophobicContact CZ-CD1 3.76Å; F102-L198 HydrophobicContact CD2-CD2 3.76Å; F102-L198 HydrophobicContact CE2-CD2 3.81Å; F102-L198 HydrophobicContact CG-CD2 4.33Å; F102-L198 HydrophobicContact CZ-CD2 4.41Å
103G85.8Confident81Confident0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-57.7-45.8175.700000111.6M99 L106 M107M99-G103 PolarHBondContact O-N 2.9Å; G103-L106 PolarHBondContact O-N 3.2Å; G103-M107 WeakPolarHBondContact O-CB 3.07Å; G103-M107 WeakPolarHBondContact O-CG 3.33Å; G103-M107 PolarHBondContact O-N 3.42Å
104G85.2Confident80.7Confident12 Ų1240.4 Ų40.412%0.12421%0.211CC..Hα-helixtrans-63.3-42.9177.400000113.8F60 F100 L101 F102 T108F60-G104 WeakPolarHBondContact CZ-O 3.29Å; F100-G104 PolarHBondContact O-N 3.43Å; L101-G104 PolarHBondContact O-N 3.06Å; F102-G104 VanDerWaalsContact C-N 3.33Å; F102-G104 PolarHBondContact O-N 3.48Å; G104-T108 VanDerWaalsContact O-CB 3.29Å; G104-T108 WeakPolarHBondContact O-CB 3.48Å; G104-T108 PolarHBondContact O-N 3.04Å; G104-T108 PolarHBondContact O-OG1 3.3Å
105V84.6Confident80.5Confident103 Ų10345.4 Ų45.462%0.62424%0.238SC*.Hα-helixtrans-65.9-47.3176.9170.10000110.8L101 F102 T108 L109L101-V105 WeakPolarHBondContact O-CB 3.32Å; L101-V105 VanDerWaalsContact O-CG2 3.3Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 2.89Å; F102-V105 PolarHBondContact O-N 3.24Å; V105-T108 WeakPolarHBondContact O-CB 3.16Å; V105-T108 PolarHBondContact O-N 3.31Å; V105-L109 PolarHBondContact O-N 3.5Å
106L86.2Confident80.2Confident26 Ų2645.9 Ų45.914%0.13624%0.24CC..Hα-helixtrans-66.8-40.8-178.8-168.262.9000111.3F102 G103 L109 F110 V177 I180F102-L106 HydrophobicContact CE1-CD2 3.84Å; F102-L106 HydrophobicContact CZ-CD2 4.17Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.48Å; G103-L106 PolarHBondContact O-N 3.2Å; L106-L109 HydrophobicContact CD1-CD2 4.44Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.45Å; L106-F110 HydrophobicContact CD1-CD2 4.21Å; L106-F110 HydrophobicContact CD1-CE2 3.66Å; L106-F110 HydrophobicContact CD1-CZ 4.34Å; L106-F110 HydrophobicContact CD2-CE2 4.15Å; L106-F110 HydrophobicContact CG-CD2 3.94Å; L106-F110 HydrophobicContact CG-CE2 3.61Å; L106-F110 WeakPolarHBondContact O-CD2 3.39Å; L106-F110 PolarHBondContact O-N 3.06Å; L106-V177 HydrophobicContact CB-CG1 4.27Å; L106-V177 HydrophobicContact CD2-CG1 4.04Å; L106-V177 HydrophobicContact CD2-CG2 4.43Å; L106-V177 HydrophobicContact CG-CG1 4.36Å; L106-V177 HydrophobicContact CG-CG2 4.34Å; L106-I180 HydrophobicContact CD2-CB 3.98Å; L106-I180 HydrophobicContact CD2-CD1 4Å; L106-I180 HydrophobicContact CD2-CG2 3.68Å
107M86.4Confident79.4Confident0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-59.1-45170.8-80.3-79.1173.800112.4F60 G103 L109 F110 G111 L119 A122 M126 L173 G174 V177F60-M107 HydrophobicContact CE1-CB 3.78Å; F60-M107 HydrophobicContact CE1-CG 4.3Å; F60-M107 HydrophobicContact CZ-CB 3.91Å; G103-M107 WeakPolarHBondContact O-CB 3.07Å; G103-M107 WeakPolarHBondContact O-CG 3.33Å; G103-M107 PolarHBondContact O-N 3.42Å; M107-L109 VanDerWaalsContact C-N 3.34Å; M107-F110 PolarHBondContact O-N 3.34Å; M107-G111 WeakPolarHBondContact O-CA 3.32Å; M107-G111 PolarHBondContact O-N 3.07Å; M107-L119 HydrophobicContact CB-CD2 4.04Å; M107-A122 HydrophobicContact CE-CB 3.72Å; M107-A122 HydrophobicContact SD-CB 3.7Å; M107-M126 HydrophobicContact CE-CB 3.99Å; M107-L173 HydrophobicContact CE-CD2 3.86Å; M107-L173 HydrophobicContact SD-CD2 3.14Å; M107-L173 WeakPolarHBondContact SD-CD2 3.17Å; M107-G174 VanDerWaalsContact CE-CA 3.43Å; M107-V177 HydrophobicContact CE-CB 3.56Å; M107-V177 HydrophobicContact CE-CG1 3.92Å; M107-V177 HydrophobicContact CE-CG2 3.67Å; M107-V177 HydrophobicContact CG-CB 4.45Å; M107-V177 HydrophobicContact CG-CG1 4.04Å; M107-V177 HydrophobicContact CG-CG2 4.11Å; M107-V177 HydrophobicContact SD-CB 4.46Å; M107-V177 HydrophobicContact SD-CG2 3.98Å
108T81.8Confident78.9Confident24 Ų2453.2 Ų53.215%0.14727%0.27CS..Hα-helixtrans-61-46.8177.4-620000110.1F42 L56 G104 V105 F110 G111 L112F42-T108 HydrophobicContact CE2-CG2 4.05Å; F42-T108 HydrophobicContact CZ-CG2 4.1Å; L56-T108 HydrophobicContact CD2-CG2 3.56Å; G104-T108 VanDerWaalsContact O-CB 3.29Å; G104-T108 WeakPolarHBondContact O-CB 3.48Å; G104-T108 PolarHBondContact O-N 3.04Å; G104-T108 PolarHBondContact O-OG1 3.3Å; V105-T108 WeakPolarHBondContact O-CB 3.16Å; V105-T108 PolarHBondContact O-N 3.31Å; T108-F110 PolarHBondContact O-N 3.33Å; T108-G111 PolarHBondContact O-N 3.13Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 3.32Å
109L83.3Confident78.9Confident88 Ų8850.7 Ų50.746%0.46126%0.261SS..Hα-helixtrans-56.6-51.7178-171.581.9000111V105 L106 M107 G111 L112 F113V105-L109 PolarHBondContact O-N 3.5Å; L106-L109 HydrophobicContact CD1-CD2 4.44Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.45Å; M107-L109 VanDerWaalsContact C-N 3.34Å; L109-G111 VanDerWaalsContact C-N 3.34Å; L109-G111 PolarHBondContact O-N 2.89Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-F113 HydrophobicContact CG-CE2 4.37Å; L109-F113 WeakPolarHBondContact O-CD2 3.41Å
110F82.3Confident78.8Confident76 Ų7650.7 Ų50.733%0.33326%0.261SS..Hα-helixtrans-67.5-34.2178.1-72.6-58.9000112.8L106 M107 T108 L112 F113 A114 L173 V177 I180L106-F110 HydrophobicContact CD1-CD2 4.21Å; L106-F110 HydrophobicContact CD1-CE2 3.66Å; L106-F110 HydrophobicContact CD1-CZ 4.34Å; L106-F110 HydrophobicContact CD2-CE2 4.15Å; L106-F110 HydrophobicContact CG-CD2 3.94Å; L106-F110 HydrophobicContact CG-CE2 3.61Å; L106-F110 WeakPolarHBondContact O-CD2 3.39Å; L106-F110 PolarHBondContact O-N 3.06Å; M107-F110 PolarHBondContact O-N 3.34Å; T108-F110 PolarHBondContact O-N 3.33Å; F110-L112 VanDerWaalsContact C-N 3.29Å; F110-L112 PolarHBondContact O-N 3.48Å; F110-F113 PolarHBondContact O-N 3.34Å; F110-F113 VanDerWaalsContact O-N 3.12Å; F110-A114 WeakPolarHBondContact O-CB 3.14Å; F110-A114 PolarHBondContact O-N 3.12Å; F110-L173 HydrophobicContact CB-CD1 3.88Å; F110-L173 HydrophobicContact CB-CD2 4.22Å; F110-L173 HydrophobicContact CB-CG 4.3Å; F110-V177 HydrophobicContact CD2-CG2 3.79Å; F110-V177 HydrophobicContact CE2-CG2 4.15Å; F110-I180 HydrophobicContact CE2-CD1 3.93Å; F110-I180 HydrophobicContact CZ-CD1 4.05Å
111G76.6Confident78.8Confident0 Ų050.1 Ų50.10%026%0.258CS..Hα-helixtrans-61.7-33.8175.500000113.1M107 T108 L109 F113 N115M107-G111 WeakPolarHBondContact O-CA 3.32Å; M107-G111 PolarHBondContact O-N 3.07Å; T108-G111 PolarHBondContact O-N 3.13Å; L109-G111 VanDerWaalsContact C-N 3.34Å; L109-G111 PolarHBondContact O-N 2.89Å; G111-F113 VanDerWaalsContact C-N 3.31Å; G111-F113 PolarHBondContact O-N 3.46Å; G111-N115 PolarHBondContact O-N 3.44Å; G111-N115 VanDerWaalsContact O-N 3.15Å
112L74.2Confident79Confident57 Ų5745.6 Ų45.630%0.29823%0.234SC..Hα-helixtrans-62.1-37.6173.1-65.4169.6000112.1F42 P44 I48 T108 L109 F110F42-L112 HydrophobicContact CE1-CD2 3.87Å; F42-L112 HydrophobicContact CE1-CG 4.34Å; F42-L112 HydrophobicContact CZ-CD2 3.65Å; F42-L112 HydrophobicContact CZ-CG 4.02Å; P44-L112 HydrophobicContact CB-CD2 3.57Å; P44-L112 HydrophobicContact CG-CD2 3.93Å; I48-L112 HydrophobicContact CD1-CD2 4.38Å; T108-L112 WeakPolarHBondContact O-CG 3.44Å; T108-L112 PolarHBondContact O-N 3.32Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.97Å; F110-L112 VanDerWaalsContact C-N 3.29Å; F110-L112 PolarHBondContact O-N 3.48Å
113F72.6Confident79.1Confident163 Ų16343.6 Ų43.672%0.71523%0.226SC*.Hα-helixtrans-82.9-36179.2-67.7-75.9000112.8L109 F110 G111L109-F113 HydrophobicContact CG-CE2 4.37Å; L109-F113 WeakPolarHBondContact O-CD2 3.41Å; F110-F113 PolarHBondContact O-N 3.34Å; F110-F113 VanDerWaalsContact O-N 3.12Å; G111-F113 VanDerWaalsContact C-N 3.31Å; G111-F113 PolarHBondContact O-N 3.46Å
114A68Low79.3Confident45 Ų4543.7 Ų43.737%0.37223%0.227SC..Hα-helixtrans-87.3-3.3-173.200000114.1F110 L116 L173F110-A114 WeakPolarHBondContact O-CB 3.14Å; F110-A114 PolarHBondContact O-N 3.12Å; A114-L116 HydrophobicContact CB-CD1 4.09Å; A114-L116 HydrophobicContact CB-CD2 4.43Å; A114-L116 HydrophobicContact CB-CG 3.75Å; A114-L116 PolarHBondContact O-N 2.85Å; A114-L173 HydrophobicContact CB-CD1 4.13Å
115N66.8Low79.7Confident106 Ų10643.4 Ų43.457%0.56722%0.222SC*.THydrogen-bonded Turntrans46.941.9-176.2-75.1-65.7000112.7G111 F117G111-N115 PolarHBondContact O-N 3.44Å; G111-N115 VanDerWaalsContact O-N 3.15Å; N115-F117 WeakPolarHBondContact O-CE1 3.49Å
116L67.8Low80.1Confident16 Ų1638.5 Ų38.58%0.08419%0.192CC..  trans-81.2141.5-179.5-64.1178.8000110.9A114 L119 V169 V170 L173A114-L116 HydrophobicContact CB-CD1 4.09Å; A114-L116 HydrophobicContact CB-CD2 4.43Å; A114-L116 HydrophobicContact CB-CG 3.75Å; A114-L116 PolarHBondContact O-N 2.85Å; L116-L119 HydrophobicContact CB-CD1 4.27Å; L116-V169 HydrophobicContact CD2-CG1 4.14Å; L116-V170 HydrophobicContact CD1-CG2 4.31Å; L116-V170 HydrophobicContact CD2-CG2 4.01Å; L116-L173 HydrophobicContact CD1-CB 4.44Å; L116-L173 HydrophobicContact CD1-CD1 3.46Å; L116-L173 VanDerWaalsContact CD1-CD1 3.46Å; L116-L173 HydrophobicContact CD1-CG 4.4Å
117F65.5Low80.3Confident108 Ų10837.3 Ų37.347%0.47419%0.186SC..SBendtrans-88.8-31.7-171.7-52.2-45.2000113.4Y41 N59 N115Y41-F117 HydrophobicContact CD2-CB 4.16Å; Y41-F117 HydrophobicContact CD2-CD1 4.29Å; Y41-F117 HydrophobicContact CE1-CD1 4.33Å; Y41-F117 HydrophobicContact CE2-CB 3.69Å; Y41-F117 AromaticContact CE2-CD1 3.14Å; Y41-F117 HydrophobicContact CE2-CD1 3.14Å; Y41-F117 AromaticContact CE2-CE1 3.91Å; Y41-F117 HydrophobicContact CE2-CE1 3.91Å; Y41-F117 AromaticContact CE2-CG 3.58Å; Y41-F117 HydrophobicContact CE2-CG 3.58Å; Y41-F117 AromaticContact CZ-CD1 3.2Å; Y41-F117 AromaticContact CZ-CE1 3.61Å; Y41-F117 WeakPolarHBondContact OH-CD1 3.04Å; Y41-F117 WeakPolarHBondContact OH-CE1 3.11Å; N59-F117 PolarHBondContact ND2-O 3.08Å; N115-F117 WeakPolarHBondContact O-CE1 3.49Å
118F70.6Confident80.6Confident71 Ų7137.3 Ų37.331%0.31119%0.186SC..  trans-141.1119-176.3-59.4-66.6000111.2F62F62-F118 AromaticContact CD1-CD1 3.43Å; F62-F118 HydrophobicContact CD1-CD1 3.43Å; F62-F118 VanDerWaalsContact CD1-CD1 3.43Å; F62-F118 AromaticContact CD1-CE1 3.31Å; F62-F118 HydrophobicContact CD1-CE1 3.31Å; F62-F118 HydrophobicContact CD1-CG 4.36Å; F62-F118 HydrophobicContact CD1-CZ 4.18Å; F62-F118 AromaticContact CE1-CD1 3.91Å; F62-F118 HydrophobicContact CE1-CD1 3.91Å; F62-F118 AromaticContact CE1-CE1 3.4Å; F62-F118 HydrophobicContact CE1-CE1 3.4Å; F62-F118 AromaticContact CE1-CZ 3.82Å; F62-F118 HydrophobicContact CE1-CZ 3.82Å; F62-F118 HydrophobicContact CG-CE1 4.5Å
119L78.8Confident81.1Confident2 Ų236.6 Ų36.61%0.0118%0.181CC..  trans-98.1-12.9-175.8-80.767.3000113.4F42 N59 F60 M107 L116 Q121 A122 F123F42-L119 HydrophobicContact CG-CD1 4.5Å; N59-L119 WeakPolarHBondContact OD1-CB 3.47Å; N59-L119 VanDerWaalsContact OD1-CD1 3.26Å; N59-L119 WeakPolarHBondContact OD1-CD1 3.4Å; N59-L119 PolarHBondContact OD1-N 3.35Å; F60-L119 HydrophobicContact CD1-CB 3.89Å; F60-L119 HydrophobicContact CE1-CB 3.69Å; F60-L119 HydrophobicContact CE1-CD2 3.82Å; F60-L119 HydrophobicContact CE1-CG 4.39Å; F60-L119 HydrophobicContact CZ-CB 4.28Å; F60-L119 HydrophobicContact CZ-CD2 3.67Å; M107-L119 HydrophobicContact CB-CD2 4.04Å; L116-L119 HydrophobicContact CB-CD1 4.27Å; L119-Q121 VanDerWaalsContact C-N 3.29Å; L119-Q121 PolarHBondContact O-N 3Å; L119-A122 PolarHBondContact O-N 2.89Å; L119-F123 PolarHBondContact O-N 3.05Å
120G82.4Confident81.4Confident0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-56.5-40.9-179.200000113.7N59 F60 F63 F123 T124N59-G120 PolarHBondContact O-N 2.93Å; F60-G120 WeakPolarHBondContact O-CA 3.49Å; F63-G120 WeakPolarHBondContact CE1-O 3.38Å; F63-G120 WeakPolarHBondContact CZ-O 3.42Å; G120-F123 WeakPolarHBondContact O-CB 3.44Å; G120-F123 PolarHBondContact O-N 3.27Å; G120-T124 PolarHBondContact O-N 3Å; G120-T124 PolarHBondContact O-OG1 2.86Å
121Q85.9Confident81.8Confident13 Ų1329 Ų296%0.06114%0.144CC..Hα-helixtrans-63.8-48.7176.5-64.6-64.5-8.800112.6F63 N73 L119 F123 T124 I125 V170F63-Q121 HydrophobicContact CD1-CG 4.44Å; F63-Q121 PolarHBondContact O-NE2 2.76Å; N73-Q121 PolarHBondContact ND2-NE2 2.76Å; N73-Q121 PolarHBondContact ND2-OE1 3.42Å; N73-Q121 VanDerWaalsContact ND2-OE1 3.14Å; N73-Q121 PolarHBondContact OD1-OE1 3.15Å; L119-Q121 VanDerWaalsContact C-N 3.29Å; L119-Q121 PolarHBondContact O-N 3Å; Q121-F123 PolarHBondContact O-N 2.91Å; Q121-T124 PolarHBondContact O-N 3.17Å; Q121-T124 VanDerWaalsContact O-N 3.17Å; Q121-I125 PolarHBondContact O-N 3.5Å; Q121-V170 HydrophobicContact CB-CG1 3.93Å
122A88.7Confident82.4Confident0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-57.3-39.7176.400000110.8M107 L119 I125 M126 V170 G174M107-A122 HydrophobicContact CE-CB 3.72Å; M107-A122 HydrophobicContact SD-CB 3.7Å; L119-A122 PolarHBondContact O-N 2.89Å; A122-I125 PolarHBondContact O-N 3.17Å; A122-M126 WeakPolarHBondContact O-CB 3.39Å; A122-M126 PolarHBondContact O-N 3.14Å; A122-V170 HydrophobicContact CB-CG1 3.63Å; A122-V170 WeakPolarHBondContact CB-O 3.43Å; A122-G174 VanDerWaalsContact O-CA 3.24Å; A122-G174 WeakPolarHBondContact O-CA 3.49Å
123F88.4Confident83Confident5 Ų530.4 Ų30.42%0.02215%0.145CC..Hα-helixtrans-64.4-44.4178.6-168.3-101.8000112.3Y19 F60 F100 L119 G120 Q121 I125 M126 L127Y19-F123 HydrophobicContact CE1-CD1 4.19Å; Y19-F123 HydrophobicContact CE1-CE1 4.18Å; Y19-F123 HydrophobicContact CE2-CE1 4.48Å; Y19-F123 AromaticContact CZ-CD1 3.89Å; Y19-F123 AromaticContact CZ-CE1 3.91Å; Y19-F123 WeakPolarHBondContact OH-CD1 3.24Å; F60-F123 HydrophobicContact CD1-CB 4.13Å; F60-F123 HydrophobicContact CD1-CD2 4.26Å; F60-F123 HydrophobicContact CD1-CG 4.29Å; F60-F123 HydrophobicContact CE1-CD2 4.42Å; F100-F123 HydrophobicContact CB-CZ 4.21Å; F100-F123 AromaticContact CD1-CE1 3.72Å; F100-F123 HydrophobicContact CD1-CE1 3.72Å; F100-F123 AromaticContact CD1-CZ 3.46Å; F100-F123 HydrophobicContact CD1-CZ 3.46Å; F100-F123 VanDerWaalsContact CD1-CZ 3.46Å; F100-F123 HydrophobicContact CD2-CZ 4.04Å; F100-F123 AromaticContact CE1-CE1 3.46Å; F100-F123 HydrophobicContact CE1-CE1 3.46Å; F100-F123 VanDerWaalsContact CE1-CE1 3.46Å; F100-F123 AromaticContact CE1-CZ 3.69Å; F100-F123 HydrophobicContact CE1-CZ 3.69Å; F100-F123 HydrophobicContact CE2-CE1 4.37Å; F100-F123 HydrophobicContact CE2-CZ 4.21Å; F100-F123 HydrophobicContact CG-CE1 4.3Å; F100-F123 AromaticContact CG-CZ 3.65Å; F100-F123 HydrophobicContact CG-CZ 3.65Å; F100-F123 AromaticContact CZ-CE1 3.82Å; F100-F123 HydrophobicContact CZ-CE1 3.82Å; F100-F123 HydrophobicContact CZ-CZ 4.06Å; L119-F123 PolarHBondContact O-N 3.05Å; G120-F123 WeakPolarHBondContact O-CB 3.44Å; G120-F123 PolarHBondContact O-N 3.27Å; Q121-F123 PolarHBondContact O-N 2.91Å; F123-I125 VanDerWaalsContact C-N 3.32Å; F123-I125 PolarHBondContact O-N 2.99Å; F123-M126 HydrophobicContact CD2-SD 4.45Å; F123-M126 HydrophobicContact CE2-SD 4.26Å; F123-M126 WeakPolarHBondContact O-CB 3.49Å; F123-M126 PolarHBondContact O-N 3.27Å; F123-L127 HydrophobicContact CD1-CD1 3.99Å; F123-L127 HydrophobicContact CD1-CG 4.33Å; F123-L127 HydrophobicContact CE1-CD1 3.67Å; F123-L127 HydrophobicContact CE1-CD2 4.29Å; F123-L127 HydrophobicContact CE1-CG 4.05Å; F123-L127 HydrophobicContact CZ-CD1 4.42Å; F123-L127 HydrophobicContact CZ-CD2 4.24Å; F123-L127 HydrophobicContact CZ-CG 4.41Å; F123-L127 WeakPolarHBondContact O-CG 3.27Å; F123-L127 PolarHBondContact O-N 3.31Å
124T90.4Very high83.6Confident3 Ų325 Ų252%0.01812%0.12CC..Hα-helixtrans-57.5-46.1172.5-64.20000111.5F63 F76 L77 G120 Q121 M126 L127 V128F63-T124 VanDerWaalsContact CE1-OG1 3.27Å; F63-T124 WeakPolarHBondContact CE1-OG1 3.33Å; F76-T124 HydrophobicContact CB-CG2 4.2Å; L77-T124 HydrophobicContact CB-CG2 4.15Å; L77-T124 WeakPolarHBondContact CD1-OG1 3.45Å; G120-T124 PolarHBondContact O-N 3Å; G120-T124 PolarHBondContact O-OG1 2.86Å; Q121-T124 PolarHBondContact O-N 3.17Å; Q121-T124 VanDerWaalsContact O-N 3.17Å; T124-M126 VanDerWaalsContact C-N 3.31Å; T124-M126 PolarHBondContact O-N 3.41Å; T124-L127 PolarHBondContact O-N 2.96Å; T124-V128 HydrophobicContact CG2-CG2 4.23Å; T124-V128 WeakPolarHBondContact O-CB 3.47Å; T124-V128 WeakPolarHBondContact O-CG2 3.17Å; T124-V128 PolarHBondContact O-N 3.06Å
125I92.3Very high84.4Confident5 Ų524.9 Ų24.93%0.02611%0.113CC..Hα-helixtrans-62.8-37.8177.8-66.5-64.7000111.7Q121 A122 F123 V128 Y129 L157 D171 I175Q121-I125 PolarHBondContact O-N 3.5Å; A122-I125 PolarHBondContact O-N 3.17Å; F123-I125 VanDerWaalsContact C-N 3.32Å; F123-I125 PolarHBondContact O-N 2.99Å; I125-V128 PolarHBondContact O-N 3.17Å; I125-Y129 VanDerWaalsContact O-CB 3.27Å; I125-Y129 WeakPolarHBondContact O-CB 3.49Å; I125-Y129 PolarHBondContact O-N 3.3Å; I125-L157 HydrophobicContact CD1-CB 3.67Å; I125-L157 HydrophobicContact CD1-CD1 4.08Å; I125-D171 HydrophobicContact CG1-CB 4.28Å; I125-D171 WeakPolarHBondContact CG2-O 3.22Å; I125-I175 HydrophobicContact CG2-CD1 4.46Å; I125-I175 HydrophobicContact CG2-CG1 3.66Å
126M92.6Very high85.4Confident0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-61.4-47.2174.4177.4-112.1177.600111.7M99 M107 A122 F123 T124 V128 Y129 V130 G174 V177 Y181M99-M126 HydrophobicContact CG-CE 4.05Å; M107-M126 HydrophobicContact CE-CB 3.99Å; A122-M126 WeakPolarHBondContact O-CB 3.39Å; A122-M126 PolarHBondContact O-N 3.14Å; F123-M126 HydrophobicContact CD2-SD 4.45Å; F123-M126 HydrophobicContact CE2-SD 4.26Å; F123-M126 WeakPolarHBondContact O-CB 3.49Å; F123-M126 PolarHBondContact O-N 3.27Å; T124-M126 VanDerWaalsContact C-N 3.31Å; T124-M126 PolarHBondContact O-N 3.41Å; M126-V128 PolarHBondContact O-N 3.27Å; M126-Y129 WeakPolarHBondContact O-CB 3.22Å; M126-Y129 PolarHBondContact O-N 3.05Å; M126-Y129 VanDerWaalsContact O-N 3.16Å; M126-V130 HydrophobicContact CE-CG2 4.29Å; M126-V130 WeakPolarHBondContact O-CG2 3.3Å; M126-V130 PolarHBondContact O-N 3.08Å; M126-G174 WeakPolarHBondContact CA-O 3.42Å; M126-G174 WeakPolarHBondContact CB-O 3.42Å; M126-V177 HydrophobicContact CE-CG1 4.47Å; M126-V177 HydrophobicContact CG-CB 4.43Å; M126-V177 HydrophobicContact CG-CG1 4.01Å; M126-Y181 HydrophobicContact CE-CD1 4.45Å; M126-Y181 HydrophobicContact CE-CD2 4.47Å; M126-Y181 HydrophobicContact CE-CG 4.01Å
127L91Very high86.2Confident1 Ų131 Ų311%0.00513%0.134CC..Hα-helixtrans-60.8-46.9176.4-65.2177000111.7L77 C81 L84 M99 F100 F123 T124 Y129 V130 W131L77-L127 HydrophobicContact CD1-CD1 3.81Å; C81-L127 WeakPolarHBondContact SG-CD1 3.41Å; L84-L127 HydrophobicContact CD1-CB 3.95Å; L84-L127 HydrophobicContact CD1-CD2 4.06Å; L84-L127 WeakPolarHBondContact CD1-O 3.41Å; M99-L127 HydrophobicContact CE-CD2 3.44Å; M99-L127 VanDerWaalsContact CE-CD2 3.44Å; M99-L127 HydrophobicContact SD-CD2 4.5Å; F100-L127 HydrophobicContact CD2-CD2 4.22Å; F100-L127 HydrophobicContact CE2-CD1 4.2Å; F100-L127 HydrophobicContact CE2-CD2 3.55Å; F100-L127 HydrophobicContact CZ-CD1 3.85Å; F100-L127 HydrophobicContact CZ-CD2 4.07Å; F123-L127 HydrophobicContact CD1-CD1 3.99Å; F123-L127 HydrophobicContact CD1-CG 4.33Å; F123-L127 HydrophobicContact CE1-CD1 3.67Å; F123-L127 HydrophobicContact CE1-CD2 4.29Å; F123-L127 HydrophobicContact CE1-CG 4.05Å; F123-L127 HydrophobicContact CZ-CD1 4.42Å; F123-L127 HydrophobicContact CZ-CD2 4.24Å; F123-L127 HydrophobicContact CZ-CG 4.41Å; F123-L127 WeakPolarHBondContact O-CG 3.27Å; F123-L127 PolarHBondContact O-N 3.31Å; T124-L127 PolarHBondContact O-N 2.96Å; L127-Y129 PolarHBondContact O-N 3.44Å; L127-V130 PolarHBondContact O-N 2.88Å; L127-W131 WeakPolarHBondContact O-CB 3.43Å; L127-W131 PolarHBondContact O-N 3.17Å
128V92.1Very high87.2Confident0 Ų029.1 Ų29.10%013%0.128CC..Hα-helixtrans-56.7-42.7175.1176.50000111Y80 T124 I125 M126 W131 S132 L153 P154 L157Y80-V128 HydrophobicContact CD2-CB 4.3Å; Y80-V128 HydrophobicContact CD2-CG1 4.42Å; Y80-V128 HydrophobicContact CD2-CG2 3.27Å; Y80-V128 HydrophobicContact CE2-CG1 4.34Å; Y80-V128 HydrophobicContact CE2-CG2 3.77Å; Y80-V128 HydrophobicContact CG-CG2 3.81Å; T124-V128 HydrophobicContact CG2-CG2 4.23Å; T124-V128 WeakPolarHBondContact O-CB 3.47Å; T124-V128 WeakPolarHBondContact O-CG2 3.17Å; T124-V128 PolarHBondContact O-N 3.06Å; I125-V128 PolarHBondContact O-N 3.17Å; M126-V128 PolarHBondContact O-N 3.27Å; V128-W131 PolarHBondContact O-N 2.95Å; V128-S132 VanDerWaalsContact O-CB 3.24Å; V128-S132 WeakPolarHBondContact O-CB 3.44Å; V128-S132 PolarHBondContact O-N 2.87Å; V128-S132 PolarHBondContact O-OG 3.42Å; V128-L153 HydrophobicContact CG1-CB 4.42Å; V128-L153 HydrophobicContact CG1-CD2 3.2Å; V128-L153 HydrophobicContact CG1-CG 4.36Å; V128-P154 HydrophobicContact CG1-CG 4.14Å; V128-L157 HydrophobicContact CB-CD1 4.3Å; V128-L157 HydrophobicContact CG1-CD1 3.85Å; V128-L157 HydrophobicContact CG2-CD1 3.75Å
129Y92.3Very high87.9Confident10 Ų1035.6 Ų35.64%0.03915%0.151CC..Hα-helixtrans-62-52.3179-174.8-82.7000111.2I125 M126 L127 W131 S132 R133 P154 I175 H179I125-Y129 VanDerWaalsContact O-CB 3.27Å; I125-Y129 WeakPolarHBondContact O-CB 3.49Å; I125-Y129 PolarHBondContact O-N 3.3Å; M126-Y129 WeakPolarHBondContact O-CB 3.22Å; M126-Y129 PolarHBondContact O-N 3.05Å; M126-Y129 VanDerWaalsContact O-N 3.16Å; L127-Y129 PolarHBondContact O-N 3.44Å; Y129-W131 VanDerWaalsContact C-N 3.32Å; Y129-W131 PolarHBondContact O-N 3.49Å; Y129-S132 WeakPolarHBondContact CA-OG 3.04Å; Y129-S132 PolarHBondContact O-N 3.21Å; Y129-S132 PolarHBondContact O-OG 2.85Å; Y129-R133 HydrophobicContact CD1-CG 3.98Å; Y129-R133 HydrophobicContact CE1-CG 3.49Å; Y129-R133 VanDerWaalsContact CE1-CG 3.49Å; Y129-R133 HydrophobicContact CE2-CG 4.37Å; Y129-R133 WeakPolarHBondContact O-CG 3.42Å; Y129-R133 PolarHBondContact O-N 3.4Å; Y129-R133 PolarHBondContact OH-NH1 3.28Å; Y129-P154 HydrophobicContact CD2-CB 4.11Å; Y129-P154 HydrophobicContact CD2-CG 3.8Å; Y129-P154 HydrophobicContact CG-CG 4.32Å; Y129-I175 HydrophobicContact CD2-CB 4.33Å; Y129-I175 HydrophobicContact CD2-CG1 4.33Å; Y129-I175 HydrophobicContact CD2-CG2 3.84Å; Y129-I175 HydrophobicContact CE2-CG2 3.74Å; Y129-H179 VanDerWaalsContact CE1-CA 3.46Å; Y129-H179 HydrophobicContact CE1-CB 3.88Å; Y129-H179 AromaticContact CZ-ND1 3.77Å; Y129-H179 PolarHBondContact OH-ND1 3.27Å
130V89.9Confident88.1Confident0 Ų036.1 Ų36.10%015%0.153CC..Hα-helixtrans-58.8-46.6179.1175.70000110.7L84 M99 M126 L127 S132 R133 R134 Y181L84-V130 HydrophobicContact CD2-CG1 4.25Å; M99-V130 HydrophobicContact SD-CB 4.46Å; M99-V130 HydrophobicContact SD-CG1 3.98Å; M126-V130 HydrophobicContact CE-CG2 4.29Å; M126-V130 WeakPolarHBondContact O-CG2 3.3Å; M126-V130 PolarHBondContact O-N 3.08Å; L127-V130 PolarHBondContact O-N 2.88Å; V130-S132 VanDerWaalsContact C-N 3.34Å; V130-S132 PolarHBondContact O-N 3.32Å; V130-R133 PolarHBondContact O-N 2.93Å; V130-R134 WeakPolarHBondContact O-CG 3.39Å; V130-R134 PolarHBondContact O-N 3.36Å; V130-R134 VanDerWaalsContact O-N 3.12Å; V130-Y181 HydrophobicContact CG1-CD1 4.09Å; V130-Y181 HydrophobicContact CG1-CE1 4.07Å; V130-Y181 HydrophobicContact CG2-CD1 3.68Å; V130-Y181 HydrophobicContact CG2-CE1 4.41Å; V130-Y181 HydrophobicContact CG2-CG 4.49Å
131W90.1Very high88.2Confident4 Ų440 Ų402%0.01517%0.174CC..Hα-helixtrans-59-45.5177.4178.377.7000112.4Y80 M83 L84 L127 V128 Y129 R133 R134 N135 I138 M140 A150 L153Y80-W131 AromaticContact CD1-CD2 3.86Å; Y80-W131 HydrophobicContact CD1-CD2 3.86Å; Y80-W131 AromaticContact CD1-CE3 3.66Å; Y80-W131 HydrophobicContact CD1-CE3 3.66Å; Y80-W131 HydrophobicContact CD1-CG 4.29Å; Y80-W131 HydrophobicContact CD1-CZ3 4.22Å; Y80-W131 HydrophobicContact CE1-CD2 4.23Å; Y80-W131 AromaticContact CE1-CE3 3.64Å; Y80-W131 HydrophobicContact CE1-CE3 3.64Å; Y80-W131 HydrophobicContact CE1-CH2 4.4Å; Y80-W131 AromaticContact CE1-CZ3 3.74Å; Y80-W131 HydrophobicContact CE1-CZ3 3.74Å; M83-W131 HydrophobicContact CE-CH2 4.1Å; M83-W131 HydrophobicContact CE-CZ2 3.21Å; M83-W131 HydrophobicContact SD-CZ2 4.03Å; L84-W131 HydrophobicContact CD1-CB 4.16Å; L84-W131 HydrophobicContact CD2-CB 3.8Å; L84-W131 HydrophobicContact CD2-CG 4.45Å; L84-W131 HydrophobicContact CG-CB 3.82Å; L84-W131 HydrophobicContact CG-CG 4.34Å; L127-W131 WeakPolarHBondContact O-CB 3.43Å; L127-W131 PolarHBondContact O-N 3.17Å; V128-W131 PolarHBondContact O-N 2.95Å; Y129-W131 VanDerWaalsContact C-N 3.32Å; Y129-W131 PolarHBondContact O-N 3.49Å; W131-R133 PolarHBondContact O-N 2.94Å; W131-R134 PolarHBondContact O-N 3.36Å; W131-N135 HydrophobicContact CZ2-CB 4.3Å; W131-N135 PolarHBondContact NE1-ND2 3.03Å; W131-N135 PolarHBondContact O-N 3.38Å; W131-N135 VanDerWaalsContact O-N 3.13Å; W131-N135 PolarHBondContact O-ND2 3.25Å; W131-I138 HydrophobicContact CH2-CG2 4.47Å; W131-I138 HydrophobicContact CZ2-CD1 4.35Å; W131-M140 HydrophobicContact CH2-CE 3.45Å; W131-M140 VanDerWaalsContact CH2-CE 3.45Å; W131-M140 HydrophobicContact CH2-CG 4.17Å; W131-M140 HydrophobicContact CH2-SD 3.65Å; W131-M140 HydrophobicContact CZ2-CE 4.47Å; W131-M140 HydrophobicContact CZ3-CE 3.63Å; W131-M140 HydrophobicContact CZ3-CG 4.43Å; W131-M140 HydrophobicContact CZ3-SD 4.28Å; W131-A150 HydrophobicContact CH2-CB 4.11Å; W131-A150 HydrophobicContact CZ3-CB 3.89Å; W131-L153 HydrophobicContact CZ3-CD1 4.15Å
132S89.8Confident88Confident0 Ų040.6 Ų40.60%018%0.177CC..Hα-helixtrans-66.6-36.7-176.660.20000113.4V128 Y129 V130 N135 A150 P154V128-S132 VanDerWaalsContact O-CB 3.24Å; V128-S132 WeakPolarHBondContact O-CB 3.44Å; V128-S132 PolarHBondContact O-N 2.87Å; V128-S132 PolarHBondContact O-OG 3.42Å; Y129-S132 WeakPolarHBondContact CA-OG 3.04Å; Y129-S132 PolarHBondContact O-N 3.21Å; Y129-S132 PolarHBondContact O-OG 2.85Å; V130-S132 VanDerWaalsContact C-N 3.34Å; V130-S132 PolarHBondContact O-N 3.32Å; S132-N135 CarbonylContact O-C 3.51Å; S132-N135 PolarHBondContact O-N 2.78Å; S132-A150 WeakPolarHBondContact CB-O 3.01Å; S132-P154 WeakPolarHBondContact OG-CG 3.03Å
133R88.1Confident87.2Confident86 Ų8646.4 Ų46.433%0.32520%0.202SC..Hα-helixtrans-72.9-32.6177.3-66.2-60.5-63.3-117.7-0.3112.7Y129 V130 W131 N135 Y182Y129-R133 HydrophobicContact CD1-CG 3.98Å; Y129-R133 HydrophobicContact CE1-CG 3.49Å; Y129-R133 VanDerWaalsContact CE1-CG 3.49Å; Y129-R133 HydrophobicContact CE2-CG 4.37Å; Y129-R133 WeakPolarHBondContact O-CG 3.42Å; Y129-R133 PolarHBondContact O-N 3.4Å; Y129-R133 PolarHBondContact OH-NH1 3.28Å; V130-R133 PolarHBondContact O-N 2.93Å; W131-R133 PolarHBondContact O-N 2.94Å; R133-N135 VanDerWaalsContact C-N 3.3Å; R133-Y182 HydrophobicContact CB-CD1 4.37Å; R133-Y182 HydrophobicContact CB-CD2 3.6Å; R133-Y182 HydrophobicContact CB-CE1 4.34Å; R133-Y182 HydrophobicContact CB-CE2 3.52Å; R133-Y182 HydrophobicContact CB-CG 4.03Å; R133-Y182 HydrophobicContact CG-CD2 4.49Å; R133-Y182 HydrophobicContact CG-CG 4.46Å
134R83.6Confident86.5Confident49 Ų4948.7 Ų48.719%0.18523%0.227CC..Hα-helixtrans-73.5-21.2174.3-71.7178.9174.8-164.8-5.6113.6V130 W131 P136 Y182 D186V130-R134 WeakPolarHBondContact O-CG 3.39Å; V130-R134 PolarHBondContact O-N 3.36Å; V130-R134 VanDerWaalsContact O-N 3.12Å; W131-R134 PolarHBondContact O-N 3.36Å; R134-P136 WeakPolarHBondContact O-CD 3.44Å; R134-Y182 HydrophobicContact CG-CD2 4.48Å; R134-Y182 HydrophobicContact CG-CE2 4.35Å; R134-D186 IonicContact CZ-OD1 3.84Å; R134-D186 IonicContact CZ-OD2 3.47Å; R134-D186 IonicContact NE-OD1 3.62Å; R134-D186 IonicContact NE-OD2 2.93Å; R134-D186 PolarHBondContact NE-OD2 3.23Å; R134-D186 IonicContact NH2-OD1 3.43Å; R134-D186 PolarHBondContact NH2-OD1 2.78Å; R134-D186 IonicContact NH2-OD2 3.1Å; R134-D186 PolarHBondContact NH2-OD2 3.35Å; R134-D186 VanDerWaalsContact NH2-OD2 3.1Å
135N86.1Confident85.9Confident43 Ų4355.5 Ų55.523%0.2326%0.263CS..  trans-122.754.7-177.3-64.9-82.4000113W131 S132 R133 Y137 I138 A150W131-N135 HydrophobicContact CZ2-CB 4.3Å; W131-N135 PolarHBondContact NE1-ND2 3.03Å; W131-N135 PolarHBondContact O-N 3.38Å; W131-N135 VanDerWaalsContact O-N 3.13Å; W131-N135 PolarHBondContact O-ND2 3.25Å; S132-N135 CarbonylContact O-C 3.51Å; S132-N135 PolarHBondContact O-N 2.78Å; R133-N135 VanDerWaalsContact C-N 3.3Å; N135-Y137 VanDerWaalsContact C-N 3.26Å; N135-Y137 PolarHBondContact O-N 3.14Å; N135-Y137 VanDerWaalsContact O-N 3.17Å; N135-I138 HydrophobicContact CB-CB 4.43Å; N135-I138 HydrophobicContact CB-CD1 3.72Å; N135-I138 HydrophobicContact CB-CG1 3.98Å; N135-I138 PolarHBondContact O-N 2.91Å; N135-A150 WeakPolarHBondContact O-CB 3.18Å
136P86.3Confident85.5Confident45 Ų4560 Ų6029%0.29229%0.286SS..THydrogen-bonded Turntrans-66.2-26.3-166.927.4-34.9000114R134 P151R134-P136 WeakPolarHBondContact O-CD 3.44Å; P136-P151 HydrophobicContact CB-CG 3.91Å
137Y86.1Confident85.1Confident206 Ų20665.7 Ų65.781%0.80832%0.317SS*.THydrogen-bonded Turntrans-86-10.4-177.3-54.8-67.5000113.8N135 R139N135-Y137 VanDerWaalsContact C-N 3.26Å; N135-Y137 PolarHBondContact O-N 3.14Å; N135-Y137 VanDerWaalsContact O-N 3.17Å; Y137-R139 PolarHBondContact O-N 3.01Å
138I85.9Confident85Confident68 Ų6867.1 Ų67.135%0.34932%0.323SS..  trans-72.8123.7179.1-61.6-171000109.1W131 N135 M140 A150W131-I138 HydrophobicContact CH2-CG2 4.47Å; W131-I138 HydrophobicContact CZ2-CD1 4.35Å; N135-I138 HydrophobicContact CB-CB 4.43Å; N135-I138 HydrophobicContact CB-CD1 3.72Å; N135-I138 HydrophobicContact CB-CG1 3.98Å; N135-I138 PolarHBondContact O-N 2.91Å; I138-M140 HydrophobicContact CG2-CG 4.42Å; I138-M140 HydrophobicContact CG2-SD 4.11Å; I138-A150 PolarHBondContact O-N 2.71Å
139R85.6Confident84.8Confident207 Ų20771.5 Ų71.578%0.78134%0.343SS*.EExtended strand (participates in β ladder)trans-85.2128.6171.8-64.7-178.9-179.2176.9-0.5109.1Y137Y137-R139 PolarHBondContact O-N 3.01Å
140M83.8Confident84.6Confident13 Ų1371 Ų716%0.06434%0.342CS..EExtended strand (participates in β ladder)trans-110.8137-179.2-66.3-71-92.600109.2Y80 W131 I138 N147 F148 L153Y80-M140 HydrophobicContact CE1-CE 3.8Å; W131-M140 HydrophobicContact CH2-CE 3.45Å; W131-M140 VanDerWaalsContact CH2-CE 3.45Å; W131-M140 HydrophobicContact CH2-CG 4.17Å; W131-M140 HydrophobicContact CH2-SD 3.65Å; W131-M140 HydrophobicContact CZ2-CE 4.47Å; W131-M140 HydrophobicContact CZ3-CE 3.63Å; W131-M140 HydrophobicContact CZ3-CG 4.43Å; W131-M140 HydrophobicContact CZ3-SD 4.28Å; I138-M140 HydrophobicContact CG2-CG 4.42Å; I138-M140 HydrophobicContact CG2-SD 4.11Å; M140-N147 WeakPolarHBondContact O-CA 3.31Å; M140-F148 HydrophobicContact CB-CD2 4.46Å; M140-F148 HydrophobicContact CB-CE2 4.18Å; M140-F148 PolarHBondContact N-O 3.12Å; M140-F148 PolarHBondContact O-N 3.48Å; M140-L153 HydrophobicContact CB-CD1 4.14Å; M140-L153 HydrophobicContact CE-CD1 3.38Å; M140-L153 HydrophobicContact CG-CD1 3.87Å
141N84.2Confident84.6Confident82 Ų8272.5 Ų72.544%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-108.2117.4171.9-169-10000108.6G144 L146 N147N141-G144 VanDerWaalsContact OD1-C 3.27Å; N141-G144 WeakPolarHBondContact OD1-CA 3.38Å; N141-G144 PolarHBondContact OD1-N 3.32Å; N141-G144 VanDerWaalsContact OD1-N 3.11Å; N141-L146 WeakPolarHBondContact CA-O 3.45Å; N141-L146 PolarHBondContact OD1-O 3.09Å; N141-N147 WeakPolarHBondContact CB-OD1 3.12Å; N141-N147 VanDerWaalsContact CG-OD1 3.26Å
142F80.1Confident84.6Confident25 Ų2577.7 Ų77.711%0.1137%0.374CS..EExtended strand (participates in β ladder)trans-98.1111.7-179.9-163.1-106.9000109.1F76 G144 L145 L146 F148 V156 L157 F160F76-F142 AromaticContact CE1-CE2 3.77Å; F76-F142 HydrophobicContact CE1-CE2 3.77Å; F76-F142 HydrophobicContact CE2-CE2 4.48Å; F76-F142 AromaticContact CZ-CE2 3.44Å; F76-F142 HydrophobicContact CZ-CE2 3.44Å; F76-F142 VanDerWaalsContact CZ-CE2 3.44Å; F76-F142 AromaticContact CZ-CZ 3.77Å; F76-F142 HydrophobicContact CZ-CZ 3.77Å; F142-G144 PolarHBondContact O-N 3.35Å; F142-L145 PolarHBondContact O-N 2.96Å; F142-L145 VanDerWaalsContact O-N 3.1Å; F142-L146 HydrophobicContact CB-CB 4.37Å; F142-L146 PolarHBondContact N-O 2.92Å; F142-L146 PolarHBondContact O-N 2.89Å; F142-F148 HydrophobicContact CB-CE1 3.51Å; F142-F148 HydrophobicContact CB-CZ 3.88Å; F142-F148 HydrophobicContact CD2-CZ 4.38Å; F142-F148 HydrophobicContact CG-CE1 4.22Å; F142-F148 HydrophobicContact CG-CZ 4.31Å; F142-V156 HydrophobicContact CD1-CG1 4.17Å; F142-V156 HydrophobicContact CE1-CG1 4.28Å; F142-V156 HydrophobicContact CG-CG1 4.4Å; F142-L157 HydrophobicContact CE2-CD2 3.73Å; F142-L157 HydrophobicContact CZ-CD2 4.02Å; F142-F160 HydrophobicContact CZ-CG 4.43Å
143F73.6Confident84.7Confident122 Ų12277.8 Ų77.854%0.53538%0.375SS..THydrogen-bonded Turntrans55.119.2-177.4-68.7-93000115.7F72 L145F72-F143 HydrophobicContact CD1-CZ 4.04Å; F72-F143 AromaticContact CE1-CE1 3.88Å; F72-F143 HydrophobicContact CE1-CE1 3.88Å; F72-F143 AromaticContact CE1-CZ 3.44Å; F72-F143 HydrophobicContact CE1-CZ 3.44Å; F72-F143 VanDerWaalsContact CE1-CZ 3.44Å; F72-F143 HydrophobicContact CZ-CE1 4.37Å; F72-F143 HydrophobicContact CZ-CZ 4.12Å; F143-L145 HydrophobicContact CB-CD1 4.44Å; F143-L145 PolarHBondContact O-N 2.91Å
144G73.4Confident84.8Confident54 Ų5473.7 Ų73.756%0.55736%0.359SS*.THydrogen-bonded Turntrans78.6-5.8-176.700000114.2N141 F142N141-G144 VanDerWaalsContact OD1-C 3.27Å; N141-G144 WeakPolarHBondContact OD1-CA 3.38Å; N141-G144 PolarHBondContact OD1-N 3.32Å; N141-G144 VanDerWaalsContact OD1-N 3.11Å; F142-G144 PolarHBondContact O-N 3.35Å
145L78.1Confident85.2Confident146 Ų14677.3 Ų77.376%0.76437%0.373SS*.THydrogen-bonded Turntrans-102-38.3-169.8-62.9172.3000112.3F142 F143F142-L145 PolarHBondContact O-N 2.96Å; F142-L145 VanDerWaalsContact O-N 3.1Å; F143-L145 HydrophobicContact CB-CD1 4.44Å; F143-L145 PolarHBondContact O-N 2.91Å
146L82.6Confident85.4Confident98 Ų9877.2 Ų77.251%0.51337%0.374SS..EExtended strand (participates in β ladder)trans-121.6125-175-61.1177.2000110N141 F142 F148N141-L146 WeakPolarHBondContact CA-O 3.45Å; N141-L146 PolarHBondContact OD1-O 3.09Å; F142-L146 HydrophobicContact CB-CB 4.37Å; F142-L146 PolarHBondContact N-O 2.92Å; F142-L146 PolarHBondContact O-N 2.89Å; L146-F148 HydrophobicContact CB-CD1 4.2Å; L146-F148 HydrophobicContact CB-CE1 4.28Å
147N85.6Confident85.6Confident121 Ų12175.4 Ų75.465%0.64736%0.361SS*.EExtended strand (participates in β ladder)trans-108.2122173.5-68.6-76.2000109.5M140 N141M140-N147 WeakPolarHBondContact O-CA 3.31Å; N141-N147 WeakPolarHBondContact CB-OD1 3.12Å; N141-N147 VanDerWaalsContact CG-OD1 3.26Å
148F87.8Confident85.8Confident31 Ų3167.2 Ų67.214%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-146.8165.8178.353.7-96.4000111.3M140 F142 L146 F152 L153 V156M140-F148 HydrophobicContact CB-CD2 4.46Å; M140-F148 HydrophobicContact CB-CE2 4.18Å; M140-F148 PolarHBondContact N-O 3.12Å; M140-F148 PolarHBondContact O-N 3.48Å; F142-F148 HydrophobicContact CB-CE1 3.51Å; F142-F148 HydrophobicContact CB-CZ 3.88Å; F142-F148 HydrophobicContact CD2-CZ 4.38Å; F142-F148 HydrophobicContact CG-CE1 4.22Å; F142-F148 HydrophobicContact CG-CZ 4.31Å; L146-F148 HydrophobicContact CB-CD1 4.2Å; L146-F148 HydrophobicContact CB-CE1 4.28Å; F148-F152 HydrophobicContact CB-CB 4.44Å; F148-F152 HydrophobicContact CD2-CB 4.11Å; F148-L153 HydrophobicContact CE2-CB 3.79Å; F148-L153 HydrophobicContact CE2-CD1 4Å; F148-L153 HydrophobicContact CE2-CG 3.78Å; F148-L153 HydrophobicContact CZ-CG 4.23Å; F148-V156 HydrophobicContact CD1-CG2 4.1Å; F148-V156 HydrophobicContact CD2-CG2 4.44Å; F148-V156 HydrophobicContact CE1-CB 4.17Å; F148-V156 HydrophobicContact CE1-CG1 3.87Å; F148-V156 HydrophobicContact CE1-CG2 3.79Å; F148-V156 HydrophobicContact CE2-CB 4.48Å; F148-V156 HydrophobicContact CE2-CG2 4.19Å; F148-V156 HydrophobicContact CG-CG2 4.41Å; F148-V156 HydrophobicContact CZ-CB 3.92Å; F148-V156 HydrophobicContact CZ-CG1 3.9Å; F148-V156 HydrophobicContact CZ-CG2 3.85Å
149Q88.8Confident86.1Confident91 Ų9165.6 Ų65.643%0.42533%0.331SS..EExtended strand (participates in β ladder)trans-80.2150176.1-66.3178.4-29.800111P151 F152Q149-P151 VanDerWaalsContact C-N 3.29Å; Q149-P151 WeakPolarHBondContact O-CD 3.46Å; Q149-P151 VanDerWaalsContact O-N 3.08Å; Q149-F152 HydrophobicContact CB-CD2 4.19Å; Q149-F152 PolarHBondContact O-N 3.46Å
150A87.9Confident86.1Confident0 Ų057.9 Ų57.90%030%0.303CS..G310 helixtrans-45.5-42.7-177.600000114.7W131 S132 N135 I138 F152 L153W131-A150 HydrophobicContact CH2-CB 4.11Å; W131-A150 HydrophobicContact CZ3-CB 3.89Å; S132-A150 WeakPolarHBondContact CB-O 3.01Å; N135-A150 WeakPolarHBondContact O-CB 3.18Å; I138-A150 PolarHBondContact O-N 2.71Å; A150-F152 PolarHBondContact O-N 3.39Å; A150-L153 WeakPolarHBondContact O-CB 3.08Å; A150-L153 PolarHBondContact O-N 3.42Å
151P90.3Very high86.2Confident31 Ų3157.4 Ų57.420%0.20130%0.302CS..G310 helixtrans-59.8-21.8-177.4-2637.1000115.2P136 Q149 L153P136-P151 HydrophobicContact CB-CG 3.91Å; Q149-P151 VanDerWaalsContact C-N 3.29Å; Q149-P151 WeakPolarHBondContact O-CD 3.46Å; Q149-P151 VanDerWaalsContact O-N 3.08Å; P151-L153 VanDerWaalsContact C-N 3.32Å
152F90.1Very high86.4Confident114 Ų11457.9 Ų57.950%0.530%0.304SS..G310 helixtrans-83.2-10.4176.4-64.2-73.1000113.2F148 Q149 A150 W155 V156F148-F152 HydrophobicContact CB-CB 4.44Å; F148-F152 HydrophobicContact CD2-CB 4.11Å; Q149-F152 HydrophobicContact CB-CD2 4.19Å; Q149-F152 PolarHBondContact O-N 3.46Å; A150-F152 PolarHBondContact O-N 3.39Å; F152-W155 WeakPolarHBondContact O-CB 3.39Å; F152-W155 PolarHBondContact O-N 2.88Å; F152-W155 VanDerWaalsContact O-N 3.16Å; F152-V156 WeakPolarHBondContact O-CG2 3.34Å; F152-V156 PolarHBondContact O-N 3.22Å
153L90.4Very high86.8Confident1 Ų163.7 Ų63.71%0.00534%0.335CS..Hα-helixtrans-60.5-45.3-173.5-155.5147.5000114.2Y80 V128 W131 M140 F148 A150 P151 W155 V156 L157Y80-L153 HydrophobicContact CE1-CD1 4.16Å; Y80-L153 HydrophobicContact CE1-CD2 4.31Å; Y80-L153 HydrophobicContact CE2-CD2 3.95Å; Y80-L153 WeakPolarHBondContact OH-CD1 3.33Å; Y80-L153 VanDerWaalsContact OH-CD2 3.24Å; Y80-L153 WeakPolarHBondContact OH-CD2 3.3Å; V128-L153 HydrophobicContact CG1-CB 4.42Å; V128-L153 HydrophobicContact CG1-CD2 3.2Å; V128-L153 HydrophobicContact CG1-CG 4.36Å; W131-L153 HydrophobicContact CZ3-CD1 4.15Å; M140-L153 HydrophobicContact CB-CD1 4.14Å; M140-L153 HydrophobicContact CE-CD1 3.38Å; M140-L153 HydrophobicContact CG-CD1 3.87Å; F148-L153 HydrophobicContact CE2-CB 3.79Å; F148-L153 HydrophobicContact CE2-CD1 4Å; F148-L153 HydrophobicContact CE2-CG 3.78Å; F148-L153 HydrophobicContact CZ-CG 4.23Å; A150-L153 WeakPolarHBondContact O-CB 3.08Å; A150-L153 PolarHBondContact O-N 3.42Å; P151-L153 VanDerWaalsContact C-N 3.32Å; L153-W155 PolarHBondContact O-N 2.88Å; L153-V156 PolarHBondContact O-N 3.33Å; L153-L157 HydrophobicContact CD2-CD1 3.54Å; L153-L157 HydrophobicContact CD2-CD2 4.37Å; L153-L157 HydrophobicContact CD2-CG 3.66Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.16Å
154P91.3Very high87.3Confident0 Ų060.4 Ų60.40%032%0.322CS..Hα-helixtrans-58.5-35.9176.9-2232.9000112.4V128 Y129 S132 M158 I175V128-P154 HydrophobicContact CG1-CG 4.14Å; Y129-P154 HydrophobicContact CD2-CB 4.11Å; Y129-P154 HydrophobicContact CD2-CG 3.8Å; Y129-P154 HydrophobicContact CG-CG 4.32Å; S132-P154 WeakPolarHBondContact OG-CG 3.03Å; P154-M158 WeakPolarHBondContact O-CB 3.38Å; P154-M158 PolarHBondContact O-N 3.08Å; P154-I175 HydrophobicContact CB-CD1 4.27Å; P154-I175 HydrophobicContact CB-CG1 4.02Å
155W91.7Very high87.8Confident126 Ų12661 Ų6148%0.47733%0.328SS..Hα-helixtrans-71.7-40179-57.8101.5000112.3F152 L153 M158 G159 L172 I175F152-W155 WeakPolarHBondContact O-CB 3.39Å; F152-W155 PolarHBondContact O-N 2.88Å; F152-W155 VanDerWaalsContact O-N 3.16Å; L153-W155 PolarHBondContact O-N 2.88Å; W155-M158 HydrophobicContact CE3-CE 3.65Å; W155-M158 HydrophobicContact CE3-SD 4.36Å; W155-M158 HydrophobicContact CZ3-CE 4.06Å; W155-M158 HydrophobicContact CZ3-SD 4.48Å; W155-M158 PolarHBondContact O-N 2.95Å; W155-G159 PolarHBondContact O-N 3.21Å; W155-L172 HydrophobicContact CZ3-CD2 4.22Å; W155-I175 HydrophobicContact CD2-CD1 4.32Å; W155-I175 HydrophobicContact CE3-CD1 4.09Å; W155-I175 HydrophobicContact CH2-CD1 4.35Å; W155-I175 HydrophobicContact CH2-CG2 4.4Å; W155-I175 HydrophobicContact CZ2-CG2 4.25Å; W155-I175 HydrophobicContact CZ3-CD1 4.1Å
156V90.4Very high88Confident40 Ų4055.9 Ų55.924%0.24230%0.302CS..Hα-helixtrans-65.6-42.5174.4175.40000110.6F142 F148 F152 L153 G159 F160F142-V156 HydrophobicContact CD1-CG1 4.17Å; F142-V156 HydrophobicContact CE1-CG1 4.28Å; F142-V156 HydrophobicContact CG-CG1 4.4Å; F148-V156 HydrophobicContact CD1-CG2 4.1Å; F148-V156 HydrophobicContact CD2-CG2 4.44Å; F148-V156 HydrophobicContact CE1-CB 4.17Å; F148-V156 HydrophobicContact CE1-CG1 3.87Å; F148-V156 HydrophobicContact CE1-CG2 3.79Å; F148-V156 HydrophobicContact CE2-CB 4.48Å; F148-V156 HydrophobicContact CE2-CG2 4.19Å; F148-V156 HydrophobicContact CG-CG2 4.41Å; F148-V156 HydrophobicContact CZ-CB 3.92Å; F148-V156 HydrophobicContact CZ-CG1 3.9Å; F148-V156 HydrophobicContact CZ-CG2 3.85Å; F152-V156 WeakPolarHBondContact O-CG2 3.34Å; F152-V156 PolarHBondContact O-N 3.22Å; L153-V156 PolarHBondContact O-N 3.33Å; V156-G159 PolarHBondContact O-N 3.49Å; V156-F160 PolarHBondContact O-N 2.93Å
157L89.8Confident88.2Confident7 Ų754.2 Ų54.24%0.03730%0.299CS..Hα-helixtrans-63.7-40.2175.6-70.4-170.9000112.1F76 Y80 I125 V128 F142 L153 G159 F160 S161F76-L157 HydrophobicContact CD1-CD2 4.21Å; F76-L157 HydrophobicContact CD2-CD1 4.5Å; F76-L157 HydrophobicContact CD2-CD2 3.85Å; F76-L157 HydrophobicContact CE1-CD2 3.92Å; F76-L157 HydrophobicContact CE2-CD2 3.54Å; F76-L157 HydrophobicContact CG-CD1 4.36Å; F76-L157 HydrophobicContact CG-CD2 4.2Å; F76-L157 HydrophobicContact CZ-CD2 3.59Å; Y80-L157 HydrophobicContact CE2-CD1 4.36Å; I125-L157 HydrophobicContact CD1-CB 3.67Å; I125-L157 HydrophobicContact CD1-CD1 4.08Å; V128-L157 HydrophobicContact CB-CD1 4.3Å; V128-L157 HydrophobicContact CG1-CD1 3.85Å; V128-L157 HydrophobicContact CG2-CD1 3.75Å; F142-L157 HydrophobicContact CE2-CD2 3.73Å; F142-L157 HydrophobicContact CZ-CD2 4.02Å; L153-L157 HydrophobicContact CD2-CD1 3.54Å; L153-L157 HydrophobicContact CD2-CD2 4.37Å; L153-L157 HydrophobicContact CD2-CG 3.66Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.16Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.1Å; L157-F160 PolarHBondContact O-N 3.43Å; L157-S161 WeakPolarHBondContact O-CB 3.43Å; L157-S161 PolarHBondContact O-N 3.39Å
158M91.3Very high88.3Confident34 Ų3451.5 Ų51.517%0.16728%0.283CS..Hα-helixtrans-59.7-43.3173.4179.6-175.475.800111.7P154 W155 F160 S161 L162 I168 D171 L172 I175P154-M158 WeakPolarHBondContact O-CB 3.38Å; P154-M158 PolarHBondContact O-N 3.08Å; W155-M158 HydrophobicContact CE3-CE 3.65Å; W155-M158 HydrophobicContact CE3-SD 4.36Å; W155-M158 HydrophobicContact CZ3-CE 4.06Å; W155-M158 HydrophobicContact CZ3-SD 4.48Å; W155-M158 PolarHBondContact O-N 2.95Å; M158-F160 VanDerWaalsContact C-N 3.34Å; M158-F160 PolarHBondContact O-N 2.96Å; M158-S161 WeakPolarHBondContact O-CB 3.3Å; M158-S161 PolarHBondContact O-N 3.36Å; M158-L162 PolarHBondContact O-N 2.96Å; M158-I168 HydrophobicContact CG-CG2 3.96Å; M158-I168 HydrophobicContact SD-CG2 3.76Å; M158-D171 HydrophobicContact CB-CB 4.04Å; M158-D171 HydrophobicContact CG-CB 3.75Å; M158-D171 HydrophobicContact SD-CB 4.48Å; M158-L172 HydrophobicContact SD-CD2 3.71Å; M158-L172 HydrophobicContact SD-CG 4.01Å; M158-I175 HydrophobicContact SD-CD1 4.26Å
159G90.4Very high88.3Confident34 Ų3453.9 Ų53.935%0.35130%0.3SS..Hα-helixtrans-61.2-41.517400000112.7W155 V156 L157 L162 L163W155-G159 PolarHBondContact O-N 3.21Å; V156-G159 PolarHBondContact O-N 3.49Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.1Å; G159-L162 PolarHBondContact O-N 3.25Å; G159-L163 WeakPolarHBondContact O-CG 3.46Å; G159-L163 PolarHBondContact O-N 3.46Å
160F87.3Confident88.3Confident45 Ų4550.3 Ų50.320%0.19729%0.285CS..Hα-helixtrans-69.3-38.4176.6-173.9-108.8000112.8F72 F76 F142 V156 L157 M158 L162 L163 L164F72-F160 HydrophobicContact CB-CE1 3.97Å; F72-F160 HydrophobicContact CD1-CE1 4.25Å; F72-F160 HydrophobicContact CD1-CZ 4.44Å; F72-F160 AromaticContact CD2-CE1 3.73Å; F72-F160 HydrophobicContact CD2-CE1 3.73Å; F72-F160 AromaticContact CD2-CZ 3.76Å; F72-F160 HydrophobicContact CD2-CZ 3.76Å; F72-F160 HydrophobicContact CE2-CE1 4.3Å; F72-F160 AromaticContact CE2-CZ 3.86Å; F72-F160 HydrophobicContact CE2-CZ 3.86Å; F72-F160 AromaticContact CG-CE1 3.71Å; F72-F160 HydrophobicContact CG-CE1 3.71Å; F72-F160 HydrophobicContact CG-CZ 4.08Å; F72-F160 HydrophobicContact CZ-CZ 4.26Å; F76-F160 HydrophobicContact CE2-CD1 4.47Å; F142-F160 HydrophobicContact CZ-CG 4.43Å; V156-F160 PolarHBondContact O-N 2.93Å; L157-F160 PolarHBondContact O-N 3.43Å; M158-F160 VanDerWaalsContact C-N 3.34Å; M158-F160 PolarHBondContact O-N 2.96Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.92Å; F160-L163 WeakPolarHBondContact O-CB 3.49Å; F160-L163 PolarHBondContact O-N 3.41Å; F160-L163 VanDerWaalsContact O-N 3.12Å; F160-L164 HydrophobicContact CD1-CD1 3.69Å; F160-L164 HydrophobicContact CD1-CG 4.35Å; F160-L164 HydrophobicContact CE1-CD1 3.37Å; F160-L164 HydrophobicContact CE1-CG 4.05Å; F160-L164 HydrophobicContact CZ-CD1 4.03Å; F160-L164 HydrophobicContact CZ-CD2 4.36Å; F160-L164 HydrophobicContact CZ-CG 4.27Å; F160-L164 WeakPolarHBondContact O-CG 3.23Å; F160-L164 PolarHBondContact O-N 2.97Å
161S85.6Confident88.4Confident4 Ų450.4 Ų50.43%0.02829%0.285CS..Hα-helixtrans-60.7-41.4175.6-172.80000111L157 M158 L164 G165 N166 D171L157-S161 WeakPolarHBondContact O-CB 3.43Å; L157-S161 PolarHBondContact O-N 3.39Å; M158-S161 WeakPolarHBondContact O-CB 3.3Å; M158-S161 PolarHBondContact O-N 3.36Å; S161-L164 PolarHBondContact O-N 3.13Å; S161-G165 PolarHBondContact O-N 3.42Å; S161-N166 WeakPolarHBondContact O-CB 3.32Å; S161-N166 PolarHBondContact O-N 3.38Å; S161-N166 WeakPolarHBondContact OG-CB 3.45Å; S161-N166 PolarHBondContact OG-ND2 2.94Å; S161-D171 WeakPolarHBondContact CB-OD2 3.27Å; S161-D171 PolarHBondContact OG-OD2 3.33Å
162L88.3Confident88.5Confident92 Ų9252.8 Ų52.848%0.48230%0.296SS..Hα-helixtrans-61.3-42.5171.6178.460.1000112.5M158 G159 F160 L164 G165 I168M158-L162 PolarHBondContact O-N 2.96Å; G159-L162 PolarHBondContact O-N 3.25Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.92Å; L162-L164 PolarHBondContact O-N 2.97Å; L162-G165 PolarHBondContact O-N 3.38Å; L162-I168 HydrophobicContact CB-CD1 4.49Å; L162-I168 HydrophobicContact CB-CG1 4.18Å; L162-I168 HydrophobicContact CD1-CD1 3.67Å; L162-I168 HydrophobicContact CD1-CG1 3.73Å; L162-I168 HydrophobicContact CD2-CD1 3.69Å; L162-I168 HydrophobicContact CD2-CG1 4.3Å; L162-I168 HydrophobicContact CG-CD1 4.13Å; L162-I168 HydrophobicContact CG-CG1 4.27Å
163L88.6Confident88.5Confident147 Ų14748.6 Ų48.677%0.7728%0.279SS*.Hα-helixtrans-63.2-30.3176.4-68174000112.6G159 F160 G165G159-L163 WeakPolarHBondContact O-CG 3.46Å; G159-L163 PolarHBondContact O-N 3.46Å; F160-L163 WeakPolarHBondContact O-CB 3.49Å; F160-L163 PolarHBondContact O-N 3.41Å; F160-L163 VanDerWaalsContact O-N 3.12Å; L163-G165 PolarHBondContact O-N 3.01Å
164L84.4Confident88.5Confident52 Ų5248.6 Ų48.627%0.27228%0.278SS..THydrogen-bonded Turntrans-79.9-2.2174.1-67.9171.7000113.4F72 F160 S161 L162F72-L164 HydrophobicContact CD2-CD1 4.37Å; F160-L164 HydrophobicContact CD1-CD1 3.69Å; F160-L164 HydrophobicContact CD1-CG 4.35Å; F160-L164 HydrophobicContact CE1-CD1 3.37Å; F160-L164 HydrophobicContact CE1-CG 4.05Å; F160-L164 HydrophobicContact CZ-CD1 4.03Å; F160-L164 HydrophobicContact CZ-CD2 4.36Å; F160-L164 HydrophobicContact CZ-CG 4.27Å; F160-L164 WeakPolarHBondContact O-CG 3.23Å; F160-L164 PolarHBondContact O-N 2.97Å; S161-L164 PolarHBondContact O-N 3.13Å; L162-L164 PolarHBondContact O-N 2.97Å
165G82.8Confident88.6Confident66 Ų6649.2 Ų49.268%0.6828%0.282SS*.THydrogen-bonded Turntrans83.514.4179.800000114.7S161 L162 L163S161-G165 PolarHBondContact O-N 3.42Å; L162-G165 PolarHBondContact O-N 3.38Å; L163-G165 PolarHBondContact O-N 3.01Å
166N83.4Confident88.6Confident40 Ų4044.7 Ų44.721%0.21428%0.275CS..  trans-78.9162.9175-61.2-42.2000111.4S69 S161S69-N166 PolarHBondContact OG-ND2 3.49Å; S69-N166 VanDerWaalsContact OG-ND2 3.16Å; S69-N166 PolarHBondContact OG-OD1 2.94Å; S161-N166 WeakPolarHBondContact O-CB 3.32Å; S161-N166 PolarHBondContact O-N 3.38Å; S161-N166 WeakPolarHBondContact OG-CB 3.45Å; S161-N166 PolarHBondContact OG-ND2 2.94Å
167S86.1Confident88.6Confident63 Ų6342.9 Ų42.944%0.44126%0.263SS..  trans-79.8121.8179.41780000112V169 V170S167-V169 PolarHBondContact O-N 3.12Å; S167-V169 PolarHBondContact OG-N 3.42Å; S167-V170 WeakPolarHBondContact O-CB 3.36Å; S167-V170 PolarHBondContact O-N 3.41Å; S167-V170 VanDerWaalsContact O-N 3.15Å
168I88.4Confident88.6Confident63 Ų6342.5 Ų42.532%0.32326%0.262SS..Hα-helixtrans-59.4-31.9175.3-52.6173.7000111.6M158 L162 V170 D171 L172M158-I168 HydrophobicContact CG-CG2 3.96Å; M158-I168 HydrophobicContact SD-CG2 3.76Å; L162-I168 HydrophobicContact CB-CD1 4.49Å; L162-I168 HydrophobicContact CB-CG1 4.18Å; L162-I168 HydrophobicContact CD1-CD1 3.67Å; L162-I168 HydrophobicContact CD1-CG1 3.73Å; L162-I168 HydrophobicContact CD2-CD1 3.69Å; L162-I168 HydrophobicContact CD2-CG1 4.3Å; L162-I168 HydrophobicContact CG-CD1 4.13Å; L162-I168 HydrophobicContact CG-CG1 4.27Å; I168-V170 PolarHBondContact O-N 3.31Å; I168-D171 PolarHBondContact O-N 2.95Å; I168-D171 VanDerWaalsContact O-N 3.15Å; I168-L172 HydrophobicContact CG2-CD1 4.02Å; I168-L172 HydrophobicContact CG2-CG 4.07Å; I168-L172 WeakPolarHBondContact O-CG 3.41Å; I168-L172 PolarHBondContact O-N 3.16Å
169V87.9Confident88.6Confident82 Ų8244.7 Ų44.750%0.49727%0.271SS..Hα-helixtrans-61.4-36.8-179.1-1780000110.7L116 S167 L173L116-V169 HydrophobicContact CD2-CG1 4.14Å; S167-V169 PolarHBondContact O-N 3.12Å; S167-V169 PolarHBondContact OG-N 3.42Å; V169-L173 VanDerWaalsContact O-CB 3.32Å; V169-L173 WeakPolarHBondContact O-CB 3.4Å; V169-L173 PolarHBondContact O-N 3.49Å
170V87.6Confident88.4Confident16 Ų1645.9 Ų45.910%0.09727%0.269CS..Hα-helixtrans-65.5-43.4177.7179.30000110L116 Q121 A122 S167 I168 L173 G174L116-V170 HydrophobicContact CD1-CG2 4.31Å; L116-V170 HydrophobicContact CD2-CG2 4.01Å; Q121-V170 HydrophobicContact CB-CG1 3.93Å; A122-V170 HydrophobicContact CB-CG1 3.63Å; A122-V170 WeakPolarHBondContact CB-O 3.43Å; S167-V170 WeakPolarHBondContact O-CB 3.36Å; S167-V170 PolarHBondContact O-N 3.41Å; S167-V170 VanDerWaalsContact O-N 3.15Å; I168-V170 PolarHBondContact O-N 3.31Å; V170-L173 PolarHBondContact O-N 3.43Å; V170-G174 PolarHBondContact O-N 3.15Å
171D90.3Very high88.4Confident1 Ų143.8 Ų43.81%0.00526%0.26CS..Hα-helixtrans-69.1-41.6179.2-62.5-21.1000112.3I125 M158 S161 I168 L173 G174 I175I125-D171 HydrophobicContact CG1-CB 4.28Å; I125-D171 WeakPolarHBondContact CG2-O 3.22Å; M158-D171 HydrophobicContact CB-CB 4.04Å; M158-D171 HydrophobicContact CG-CB 3.75Å; M158-D171 HydrophobicContact SD-CB 4.48Å; S161-D171 WeakPolarHBondContact CB-OD2 3.27Å; S161-D171 PolarHBondContact OG-OD2 3.33Å; I168-D171 PolarHBondContact O-N 2.95Å; I168-D171 VanDerWaalsContact O-N 3.15Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 2.9Å; D171-G174 CarbonylContact O-C 3.59Å; D171-G174 WeakPolarHBondContact O-CA 3.33Å; D171-G174 PolarHBondContact O-N 3.31Å; D171-G174 VanDerWaalsContact O-N 3.13Å; D171-I175 WeakPolarHBondContact O-CG1 3.38Å; D171-I175 PolarHBondContact O-N 3.41Å
172L91.6Very high88.3Confident81 Ų8145.6 Ų45.642%0.42427%0.266SS..Hα-helixtrans-61.4-38.8174.7-74.1174.7000111.8W155 M158 I168 G174 I175 G176W155-L172 HydrophobicContact CZ3-CD2 4.22Å; M158-L172 HydrophobicContact SD-CD2 3.71Å; M158-L172 HydrophobicContact SD-CG 4.01Å; I168-L172 HydrophobicContact CG2-CD1 4.02Å; I168-L172 HydrophobicContact CG2-CG 4.07Å; I168-L172 WeakPolarHBondContact O-CG 3.41Å; I168-L172 PolarHBondContact O-N 3.16Å; L172-G174 VanDerWaalsContact C-N 3.34Å; L172-I175 PolarHBondContact O-N 2.83Å; L172-G176 PolarHBondContact O-N 3.23Å
173L90.4Very high87.9Confident27 Ų2744.9 Ų44.914%0.14126%0.259CS..Hα-helixtrans-65.2-41.8174.7-161.8149.4000110.6M107 F110 A114 L116 V169 V170 D171 I175 G176 V177M107-L173 HydrophobicContact CE-CD2 3.86Å; M107-L173 HydrophobicContact SD-CD2 3.14Å; M107-L173 WeakPolarHBondContact SD-CD2 3.17Å; F110-L173 HydrophobicContact CB-CD1 3.88Å; F110-L173 HydrophobicContact CB-CD2 4.22Å; F110-L173 HydrophobicContact CB-CG 4.3Å; A114-L173 HydrophobicContact CB-CD1 4.13Å; L116-L173 HydrophobicContact CD1-CB 4.44Å; L116-L173 HydrophobicContact CD1-CD1 3.46Å; L116-L173 VanDerWaalsContact CD1-CD1 3.46Å; L116-L173 HydrophobicContact CD1-CG 4.4Å; V169-L173 VanDerWaalsContact O-CB 3.32Å; V169-L173 WeakPolarHBondContact O-CB 3.4Å; V169-L173 PolarHBondContact O-N 3.49Å; V170-L173 PolarHBondContact O-N 3.43Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 2.9Å; L173-I175 PolarHBondContact O-N 3.42Å; L173-G176 PolarHBondContact O-N 3.15Å; L173-V177 HydrophobicContact CD2-CG2 3.95Å; L173-V177 WeakPolarHBondContact O-CG2 2.98Å; L173-V177 PolarHBondContact O-N 3.2Å
174G90.9Very high87.3Confident0 Ų040 Ų400%023%0.234CC..Hα-helixtrans-46.1-5616600000113.7M107 A122 M126 V170 D171 L172 G178M107-G174 VanDerWaalsContact CE-CA 3.43Å; A122-G174 VanDerWaalsContact O-CA 3.24Å; A122-G174 WeakPolarHBondContact O-CA 3.49Å; M126-G174 WeakPolarHBondContact CA-O 3.42Å; M126-G174 WeakPolarHBondContact CB-O 3.42Å; V170-G174 PolarHBondContact O-N 3.15Å; D171-G174 CarbonylContact O-C 3.59Å; D171-G174 WeakPolarHBondContact O-CA 3.33Å; D171-G174 PolarHBondContact O-N 3.31Å; D171-G174 VanDerWaalsContact O-N 3.13Å; L172-G174 VanDerWaalsContact C-N 3.34Å; G174-G178 PolarHBondContact O-N 2.76Å
175I93.1Very high86.8Confident13 Ų1338.5 Ų38.57%0.06723%0.225CC..Hα-helixtrans-62.1-44.5179.7-68.3166.8000110.9I125 Y129 P154 W155 M158 D171 L172 L173 G178 H179I125-I175 HydrophobicContact CG2-CD1 4.46Å; I125-I175 HydrophobicContact CG2-CG1 3.66Å; Y129-I175 HydrophobicContact CD2-CB 4.33Å; Y129-I175 HydrophobicContact CD2-CG1 4.33Å; Y129-I175 HydrophobicContact CD2-CG2 3.84Å; Y129-I175 HydrophobicContact CE2-CG2 3.74Å; P154-I175 HydrophobicContact CB-CD1 4.27Å; P154-I175 HydrophobicContact CB-CG1 4.02Å; W155-I175 HydrophobicContact CD2-CD1 4.32Å; W155-I175 HydrophobicContact CE3-CD1 4.09Å; W155-I175 HydrophobicContact CH2-CD1 4.35Å; W155-I175 HydrophobicContact CH2-CG2 4.4Å; W155-I175 HydrophobicContact CZ2-CG2 4.25Å; W155-I175 HydrophobicContact CZ3-CD1 4.1Å; M158-I175 HydrophobicContact SD-CD1 4.26Å; D171-I175 WeakPolarHBondContact O-CG1 3.38Å; D171-I175 PolarHBondContact O-N 3.41Å; L172-I175 PolarHBondContact O-N 2.83Å; L173-I175 PolarHBondContact O-N 3.42Å; I175-G178 PolarHBondContact O-N 3.12Å; I175-H179 WeakPolarHBondContact O-CB 3.47Å; I175-H179 PolarHBondContact O-N 3.46Å
176G92Very high86.2Confident32 Ų3237.4 Ų37.433%0.3320%0.204SC..Hα-helixtrans-62.7-49.6-179.300000112.8L172 L173 G178 H179 I180L172-G176 PolarHBondContact O-N 3.23Å; L173-G176 PolarHBondContact O-N 3.15Å; G176-G178 VanDerWaalsContact C-N 3.35Å; G176-G178 PolarHBondContact O-N 3.34Å; G176-H179 WeakPolarHBondContact O-CB 3.24Å; G176-H179 PolarHBondContact O-N 2.86Å; G176-I180 WeakPolarHBondContact O-CG1 3.2Å; G176-I180 PolarHBondContact O-N 2.8Å
177V90.5Very high85.3Confident1 Ų137.5 Ų37.51%0.00621%0.206CC..Hα-helixtrans-62.2-43.9176.2172.10000110.7L106 M107 F110 M126 L173 H179 I180 Y181L106-V177 HydrophobicContact CB-CG1 4.27Å; L106-V177 HydrophobicContact CD2-CG1 4.04Å; L106-V177 HydrophobicContact CD2-CG2 4.43Å; L106-V177 HydrophobicContact CG-CG1 4.36Å; L106-V177 HydrophobicContact CG-CG2 4.34Å; M107-V177 HydrophobicContact CE-CB 3.56Å; M107-V177 HydrophobicContact CE-CG1 3.92Å; M107-V177 HydrophobicContact CE-CG2 3.67Å; M107-V177 HydrophobicContact CG-CB 4.45Å; M107-V177 HydrophobicContact CG-CG1 4.04Å; M107-V177 HydrophobicContact CG-CG2 4.11Å; M107-V177 HydrophobicContact SD-CB 4.46Å; M107-V177 HydrophobicContact SD-CG2 3.98Å; F110-V177 HydrophobicContact CD2-CG2 3.79Å; F110-V177 HydrophobicContact CE2-CG2 4.15Å; M126-V177 HydrophobicContact CE-CG1 4.47Å; M126-V177 HydrophobicContact CG-CB 4.43Å; M126-V177 HydrophobicContact CG-CG1 4.01Å; L173-V177 HydrophobicContact CD2-CG2 3.95Å; L173-V177 WeakPolarHBondContact O-CG2 2.98Å; L173-V177 PolarHBondContact O-N 3.2Å; V177-H179 VanDerWaalsContact C-N 3.27Å; V177-H179 PolarHBondContact O-N 2.95Å; V177-I180 PolarHBondContact O-N 2.98Å; V177-Y181 PolarHBondContact O-N 3.34Å
178G89.6Confident84.1Confident0 Ų037.4 Ų37.40%020%0.198CC..Hα-helixtrans-60.6-37.7175.900000112.6G174 I175 G176 Y182G174-G178 PolarHBondContact O-N 2.76Å; I175-G178 PolarHBondContact O-N 3.12Å; G176-G178 VanDerWaalsContact C-N 3.35Å; G176-G178 PolarHBondContact O-N 3.34Å; G178-Y182 VanDerWaalsContact O-CB 3.3Å; G178-Y182 WeakPolarHBondContact O-CB 3.18Å; G178-Y182 PolarHBondContact O-N 3.23Å
179H90.7Very high82.7Confident79 Ų7936.3 Ų36.337%0.36620%0.195SC..Hα-helixtrans-66.9-43.1175.2-169.765.8000112.4Y129 I175 G176 V177 Y182 F183Y129-H179 VanDerWaalsContact CE1-CA 3.46Å; Y129-H179 HydrophobicContact CE1-CB 3.88Å; Y129-H179 AromaticContact CZ-ND1 3.77Å; Y129-H179 PolarHBondContact OH-ND1 3.27Å; I175-H179 WeakPolarHBondContact O-CB 3.47Å; I175-H179 PolarHBondContact O-N 3.46Å; G176-H179 WeakPolarHBondContact O-CB 3.24Å; G176-H179 PolarHBondContact O-N 2.86Å; V177-H179 VanDerWaalsContact C-N 3.27Å; V177-H179 PolarHBondContact O-N 2.95Å; H179-Y182 PolarHBondContact O-N 3.02Å; H179-F183 WeakPolarHBondContact O-CB 3.1Å; H179-F183 PolarHBondContact O-N 3.35Å
180I87.5Confident81.4Confident59 Ų5939 Ų3930%0.30321%0.206SC..Hα-helixtrans-60.8-46.7175.9-67164.7000110.2L106 F110 G176 V177 F183 L184L106-I180 HydrophobicContact CD2-CB 3.98Å; L106-I180 HydrophobicContact CD2-CD1 4Å; L106-I180 HydrophobicContact CD2-CG2 3.68Å; F110-I180 HydrophobicContact CE2-CD1 3.93Å; F110-I180 HydrophobicContact CZ-CD1 4.05Å; G176-I180 WeakPolarHBondContact O-CG1 3.2Å; G176-I180 PolarHBondContact O-N 2.8Å; V177-I180 PolarHBondContact O-N 2.98Å; I180-F183 PolarHBondContact O-N 3.47Å; I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 HydrophobicContact CG2-CG 4.43Å; I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.44Å; I180-L184 PolarHBondContact O-N 3.19Å
181Y86.5Confident80.3Confident2 Ų242.4 Ų42.41%0.00822%0.221CC..Hα-helixtrans-60.3-52176.9179.1-92.6000111.8M99 F102 M126 V130 V177 F183 L184 E185 L198M99-Y181 HydrophobicContact CB-CE1 4.27Å; M99-Y181 HydrophobicContact CB-CE2 3.8Å; M99-Y181 WeakPolarHBondContact CB-OH 3.35Å; M99-Y181 HydrophobicContact CG-CD1 4.07Å; M99-Y181 HydrophobicContact CG-CD2 4.16Å; M99-Y181 HydrophobicContact CG-CE1 3.6Å; M99-Y181 HydrophobicContact CG-CE2 3.67Å; M99-Y181 HydrophobicContact CG-CG 4.34Å; M99-Y181 HydrophobicContact SD-CD1 4.35Å; M99-Y181 HydrophobicContact SD-CE1 3.78Å; F102-Y181 AromaticContact CD1-CD2 3.56Å; F102-Y181 HydrophobicContact CD1-CD2 3.56Å; F102-Y181 HydrophobicContact CD1-CE2 4.42Å; F102-Y181 HydrophobicContact CD1-CG 4.43Å; F102-Y181 HydrophobicContact CE1-CD2 4.06Å; F102-Y181 HydrophobicContact CG-CD2 4.26Å; M126-Y181 HydrophobicContact CE-CD1 4.45Å; M126-Y181 HydrophobicContact CE-CD2 4.47Å; M126-Y181 HydrophobicContact CE-CG 4.01Å; V130-Y181 HydrophobicContact CG1-CD1 4.09Å; V130-Y181 HydrophobicContact CG1-CE1 4.07Å; V130-Y181 HydrophobicContact CG2-CD1 3.68Å; V130-Y181 HydrophobicContact CG2-CE1 4.41Å; V130-Y181 HydrophobicContact CG2-CG 4.49Å; V177-Y181 PolarHBondContact O-N 3.34Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 2.85Å; Y181-L184 PolarHBondContact O-N 3.48Å; Y181-E185 HydrophobicContact CE1-CB 4.11Å; Y181-E185 HydrophobicContact CE1-CG 4.32Å; Y181-E185 WeakPolarHBondContact O-CB 3.23Å; Y181-E185 PolarHBondContact O-N 3.38Å; Y181-L198 HydrophobicContact CD2-CD1 4.15Å; Y181-L198 HydrophobicContact CE2-CD1 3.98Å
182Y83.6Confident78.1Confident41 Ų4149 Ų4916%0.16126%0.264CS..Hα-helixtrans-59.1-40178.2175-95.1000111.9R133 R134 G178 H179 D186 V187R133-Y182 HydrophobicContact CB-CD1 4.37Å; R133-Y182 HydrophobicContact CB-CD2 3.6Å; R133-Y182 HydrophobicContact CB-CE1 4.34Å; R133-Y182 HydrophobicContact CB-CE2 3.52Å; R133-Y182 HydrophobicContact CB-CG 4.03Å; R133-Y182 HydrophobicContact CG-CD2 4.49Å; R133-Y182 HydrophobicContact CG-CG 4.46Å; R134-Y182 HydrophobicContact CG-CD2 4.48Å; R134-Y182 HydrophobicContact CG-CE2 4.35Å; G178-Y182 VanDerWaalsContact O-CB 3.3Å; G178-Y182 WeakPolarHBondContact O-CB 3.18Å; G178-Y182 PolarHBondContact O-N 3.23Å; H179-Y182 PolarHBondContact O-N 3.02Å; Y182-D186 HydrophobicContact CD2-CB 3.87Å; Y182-D186 VanDerWaalsContact CD2-OD2 3.23Å; Y182-D186 WeakPolarHBondContact CD2-OD2 3.38Å; Y182-D186 HydrophobicContact CE2-CB 3.69Å; Y182-D186 HydrophobicContact CG-CB 4.47Å; Y182-D186 WeakPolarHBondContact O-CA 3.45Å; Y182-D186 WeakPolarHBondContact O-CB 3.24Å; Y182-D186 PolarHBondContact O-N 2.85Å; Y182-V187 HydrophobicContact CD1-CG2 3.97Å; Y182-V187 HydrophobicContact CE1-CG2 3.5Å; Y182-V187 VanDerWaalsContact CE1-CG2 3.5Å; Y182-V187 PolarHBondContact O-N 2.87Å
183F80.2Confident76.3Confident78 Ų7849 Ų4934%0.34228%0.283SS..Iπ-helixtrans-65-45.2178.2-176.7-94.8000111.4H179 I180 Y181 V187 F188H179-F183 WeakPolarHBondContact O-CB 3.1Å; H179-F183 PolarHBondContact O-N 3.35Å; I180-F183 PolarHBondContact O-N 3.47Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 2.85Å; F183-V187 HydrophobicContact CD2-CB 3.87Å; F183-V187 HydrophobicContact CD2-CG1 3.84Å; F183-V187 HydrophobicContact CD2-CG2 4.31Å; F183-V187 HydrophobicContact CE2-CB 4.28Å; F183-V187 HydrophobicContact CE2-CG1 3.78Å; F183-V187 HydrophobicContact CG-CB 4.4Å; F183-V187 CarbonylContact O-C 3.57Å; F183-V187 WeakPolarHBondContact O-CB 3.19Å; F183-V187 PolarHBondContact O-N 2.81Å; F183-F188 HydrophobicContact CE1-CD2 4.23Å; F183-F188 WeakPolarHBondContact O-CB 3.34Å; F183-F188 PolarHBondContact O-N 3.25Å
184L76.1Confident74.2Confident44 Ų4448.9 Ų48.923%0.2329%0.289CS..Iπ-helixtrans-71.4-37.1-179.5-69.3172.8000113.3F102 I180 Y181 L198F102-L184 HydrophobicContact CE2-CD1 4.5Å; F102-L184 HydrophobicContact CZ-CD1 3.76Å; I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 HydrophobicContact CG2-CG 4.43Å; I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.44Å; I180-L184 PolarHBondContact O-N 3.19Å; Y181-L184 PolarHBondContact O-N 3.48Å; L184-L198 HydrophobicContact CB-CD1 3.77Å; L184-L198 HydrophobicContact CB-CG 4.32Å
185E73.6Confident72.2Confident20 Ų2058.6 Ų58.69%0.09333%0.325CS..Iπ-helixtrans-85.2-45.1-177-174.961.3-16200112.5Y181 P189 K196 L198Y181-E185 HydrophobicContact CE1-CB 4.11Å; Y181-E185 HydrophobicContact CE1-CG 4.32Å; Y181-E185 WeakPolarHBondContact O-CB 3.23Å; Y181-E185 PolarHBondContact O-N 3.38Å; E185-P189 WeakPolarHBondContact O-CD 3.36Å; E185-P189 WeakPolarHBondContact O-CG 3.43Å; E185-K196 WeakPolarHBondContact OE1-CE 3.47Å; E185-K196 IonicContact OE1-NZ 3.44Å; E185-L198 HydrophobicContact CB-CD1 3.77Å; E185-L198 WeakPolarHBondContact OE2-CB 3.44Å; E185-L198 WeakPolarHBondContact OE2-CD1 3.37Å
186D69.3Low70.5Confident44 Ų4462.3 Ų62.324%0.23534%0.341CS..Iπ-helixtrans-106.8-27.7-167.1-63.8-63.1000112.7R134 Y182 N190R134-D186 IonicContact CZ-OD1 3.84Å; R134-D186 IonicContact CZ-OD2 3.47Å; R134-D186 IonicContact NE-OD1 3.62Å; R134-D186 IonicContact NE-OD2 2.93Å; R134-D186 PolarHBondContact NE-OD2 3.23Å; R134-D186 IonicContact NH2-OD1 3.43Å; R134-D186 PolarHBondContact NH2-OD1 2.78Å; R134-D186 IonicContact NH2-OD2 3.1Å; R134-D186 PolarHBondContact NH2-OD2 3.35Å; R134-D186 VanDerWaalsContact NH2-OD2 3.1Å; Y182-D186 HydrophobicContact CD2-CB 3.87Å; Y182-D186 VanDerWaalsContact CD2-OD2 3.23Å; Y182-D186 WeakPolarHBondContact CD2-OD2 3.38Å; Y182-D186 HydrophobicContact CE2-CB 3.69Å; Y182-D186 HydrophobicContact CG-CB 4.47Å; Y182-D186 WeakPolarHBondContact O-CA 3.45Å; Y182-D186 WeakPolarHBondContact O-CB 3.24Å; Y182-D186 PolarHBondContact O-N 2.85Å; D186-N190 PolarHBondContact O-ND2 3.07Å
187V66.1Low68.7Low41 Ų4166.1 Ų66.125%0.24835%0.353CS..Iπ-helixtrans-98.9-46.3-176.5-178.10000112.3Y182 F183 N190 Q191Y182-V187 HydrophobicContact CD1-CG2 3.97Å; Y182-V187 HydrophobicContact CE1-CG2 3.5Å; Y182-V187 VanDerWaalsContact CE1-CG2 3.5Å; Y182-V187 PolarHBondContact O-N 2.87Å; F183-V187 HydrophobicContact CD2-CB 3.87Å; F183-V187 HydrophobicContact CD2-CG1 3.84Å; F183-V187 HydrophobicContact CD2-CG2 4.31Å; F183-V187 HydrophobicContact CE2-CB 4.28Å; F183-V187 HydrophobicContact CE2-CG1 3.78Å; F183-V187 HydrophobicContact CG-CB 4.4Å; F183-V187 CarbonylContact O-C 3.57Å; F183-V187 WeakPolarHBondContact O-CB 3.19Å; F183-V187 PolarHBondContact O-N 2.81Å; V187-N190 PolarHBondContact O-N 2.81Å; V187-Q191 PolarHBondContact O-N 2.87Å
188F59.4Low67.2Low62 Ų6266.4 Ų66.427%0.27236%0.355SS..G310 helixtrans-60.8-44.3-175.8-165.6-90.4000113.9F183 N190 Q191 G194 R195 L197F183-F188 HydrophobicContact CE1-CD2 4.23Å; F183-F188 WeakPolarHBondContact O-CB 3.34Å; F183-F188 PolarHBondContact O-N 3.25Å; F188-N190 VanDerWaalsContact C-N 3.26Å; F188-N190 PolarHBondContact O-N 2.85Å; F188-Q191 PolarHBondContact O-N 3.43Å; F188-G194 VanDerWaalsContact O-CA 3.23Å; F188-G194 WeakPolarHBondContact O-CA 3.4Å; F188-R195 WeakPolarHBondContact CD1-O 3.38Å; F188-L197 HydrophobicContact CD1-CD1 3.44Å; F188-L197 VanDerWaalsContact CD1-CD1 3.44Å; F188-L197 HydrophobicContact CE1-CD1 3.06Å; F188-L197 HydrophobicContact CE1-CG 4.48Å; F188-L197 HydrophobicContact CG-CD1 4.33Å; F188-L197 HydrophobicContact CZ-CD1 3.67Å
189P60.7Low65.4Low40 Ų4072.8 Ų72.826%0.2639%0.386SS..G310 helixtrans-70.8-20.4177.926.2-32.9000113.8E185E185-P189 WeakPolarHBondContact O-CD 3.36Å; E185-P189 WeakPolarHBondContact O-CG 3.43Å
190N59.9Low63.7Low138 Ų13869.3 Ų69.374%0.73837%0.37SS*.G310 helixtrans-88.1-1.6179.6-75.1-39.2000113.5D186 V187 F188D186-N190 PolarHBondContact O-ND2 3.07Å; V187-N190 PolarHBondContact O-N 2.81Å; F188-N190 VanDerWaalsContact C-N 3.26Å; F188-N190 PolarHBondContact O-N 2.85Å
191Q63.5Low62.3Low88 Ų8869.2 Ų69.241%0.41137%0.373SS..SBendtrans-85.1150.5174-73.3178.113.200111.1V187 F188 G193 G194V187-Q191 PolarHBondContact O-N 2.87Å; F188-Q191 PolarHBondContact O-N 3.43Å; Q191-G193 PolarHBondContact O-N 3.3Å; Q191-G194 PolarHBondContact O-N 3.45Å
192P44.8Very low60.8Low140 Ų14076.2 Ų76.291%0.90941%0.406SS*.THydrogen-bonded Turntrans-61112.8177.32.21.8000110.4
193G52.8Low59.5Low79 Ų7980.8 Ų80.881%0.81443%0.433SS*.THydrogen-bonded Turntrans953.6-17400000115.4Q191 R195Q191-G193 PolarHBondContact O-N 3.3Å; G193-R195 PolarHBondContact O-N 3.13Å
194G47.5Very low58.5Low26 Ų2678.5 Ų78.527%0.26842%0.424SS..  trans-65.6125.4176.900000112.6F188 Q191F188-G194 VanDerWaalsContact O-CA 3.23Å; F188-G194 WeakPolarHBondContact O-CA 3.4Å; Q191-G194 PolarHBondContact O-N 3.45Å
195R48.3Very low57.7Low204 Ų20480.9 Ų80.977%0.7743%0.43SS*.  trans-101.2143.4166.9-66.4-176.9178-176.1-2108.7F188 G193 L197F188-R195 WeakPolarHBondContact CD1-O 3.38Å; G193-R195 PolarHBondContact O-N 3.13Å; R195-L197 VanDerWaalsContact C-N 3.35Å; R195-L197 PolarHBondContact O-N 3.34Å
196K56.9Low57Low91 Ų9185.3 Ų85.340%0.39646%0.458SS..  trans-67.991.5173-166.4175.7-177.2178.80109.3E185E185-K196 WeakPolarHBondContact OE1-CE 3.47Å; E185-K196 IonicContact OE1-NZ 3.44Å
197L55.4Low56.8Low111 Ų11187.7 Ų87.758%0.58147%0.474SS*.  trans-69.7-33.4-178.3-92.9121.6000112.7F188 R195 M199F188-L197 HydrophobicContact CD1-CD1 3.44Å; F188-L197 VanDerWaalsContact CD1-CD1 3.44Å; F188-L197 HydrophobicContact CE1-CD1 3.06Å; F188-L197 HydrophobicContact CE1-CG 4.48Å; F188-L197 HydrophobicContact CG-CD1 4.33Å; F188-L197 HydrophobicContact CZ-CD1 3.67Å; R195-L197 VanDerWaalsContact C-N 3.35Å; R195-L197 PolarHBondContact O-N 3.34Å; L197-M199 PolarHBondContact O-N 3.47Å; L197-M199 VanDerWaalsContact O-N 3.07Å
198L58.6Low56.4Low8 Ų890.1 Ų90.14%0.04248%0.482CS..  trans-8668.4175.3-66171.8000108.3Y98 F102 Y181 L184 E185 T200Y98-L198 HydrophobicContact CE1-CB 4.01Å; Y98-L198 HydrophobicContact CE1-CD2 3.7Å; Y98-L198 HydrophobicContact CE1-CG 4.41Å; F102-L198 HydrophobicContact CD2-CD2 3.76Å; F102-L198 HydrophobicContact CE2-CD2 3.81Å; F102-L198 HydrophobicContact CG-CD2 4.33Å; F102-L198 HydrophobicContact CZ-CD2 4.41Å; Y181-L198 HydrophobicContact CD2-CD1 4.15Å; Y181-L198 HydrophobicContact CE2-CD1 3.98Å; L184-L198 HydrophobicContact CB-CD1 3.77Å; L184-L198 HydrophobicContact CB-CG 4.32Å; E185-L198 HydrophobicContact CB-CD1 3.77Å; E185-L198 WeakPolarHBondContact OE2-CB 3.44Å; E185-L198 WeakPolarHBondContact OE2-CD1 3.37Å; L198-T200 PolarHBondContact O-N 3.03Å
199M52Low56.3Low133 Ų13389.3 Ų89.366%0.65548%0.48SS*.  trans-81.4112.1170.8-155159.489.900107.5L197 P201L197-M199 PolarHBondContact O-N 3.47Å; L197-M199 VanDerWaalsContact O-N 3.07Å; M199-P201 WeakPolarHBondContact O-CD 3.19Å; M199-P201 VanDerWaalsContact O-N 3.15Å
200T55.1Low55.8Low6 Ų693.4 Ų93.44%0.03751%0.505CS..  trans-51.9120.3174.4-230000108A94 D95 Y98 L198 E202 L204A94-T200 HydrophobicContact CB-CG2 4.09Å; D95-T200 WeakPolarHBondContact OD1-CB 3.23Å; D95-T200 WeakPolarHBondContact OD1-CG2 3.27Å; D95-T200 PolarHBondContact OD1-OG1 2.8Å; Y98-T200 HydrophobicContact CG-CG2 4.31Å; L198-T200 PolarHBondContact O-N 3.03Å; T200-E202 PolarHBondContact O-N 2.72Å; T200-L204 HydrophobicContact CG2-CB 4.41Å
201P57.1Low55Low57 Ų5794 Ų9437%0.3750%0.503SS..  trans-60.3135.2-179.422.3-31000109.1Y98 M199 L203 L204Y98-P201 HydrophobicContact CD2-CG 4.27Å; Y98-P201 HydrophobicContact CE2-CG 4.29Å; M199-P201 WeakPolarHBondContact O-CD 3.19Å; M199-P201 VanDerWaalsContact O-N 3.15Å; P201-L203 PolarHBondContact O-N 3.19Å; P201-L204 HydrophobicContact CG-CB 4.49Å; P201-L204 HydrophobicContact CG-CD1 4.18Å; P201-L204 PolarHBondContact O-N 2.88Å
202E56Low54.2Low150 Ų15098.9 Ų98.970%0.70153%0.526SS*.Hα-helixtrans-54.2-32.2-174.8-73.4-166.1154.700112.8T200 L204 R205 T206T200-E202 PolarHBondContact O-N 2.72Å; E202-L204 VanDerWaalsContact C-N 3.26Å; E202-L204 PolarHBondContact O-N 3.02Å; E202-R205 CarbonylContact O-C 3.56Å; E202-R205 WeakPolarHBondContact O-CA 3.44Å; E202-R205 WeakPolarHBondContact O-CB 3.45Å; E202-R205 PolarHBondContact O-N 2.96Å; E202-T206 PolarHBondContact O-N 3.17Å; E202-T206 PolarHBondContact O-OG1 3.19Å
203L57.1Low54.1Low136 Ų13698.8 Ų98.871%0.71251%0.513SS*.Hα-helixtrans-53.3-39.3173.2-105.1163.5000113.7P201 V207P201-L203 PolarHBondContact O-N 3.19Å; L203-V207 WeakPolarHBondContact O-CB 3.03Å; L203-V207 WeakPolarHBondContact O-CG2 3.38Å; L203-V207 PolarHBondContact O-N 2.87Å
204L58.9Low53.7Low31 Ų3199.5 Ų99.516%0.16250%0.498CS..Hα-helixtrans-72.7-36.3176-105.681.5000111.4A94 V97 L101 T200 P201 E202 V207 F208A94-L204 HydrophobicContact CB-CB 4.16Å; A94-L204 WeakPolarHBondContact O-CD2 3.39Å; V97-L204 HydrophobicContact CB-CD2 3.94Å; V97-L204 HydrophobicContact CG1-CD2 3.82Å; L101-L204 HydrophobicContact CD1-CD2 4.49Å; T200-L204 HydrophobicContact CG2-CB 4.41Å; P201-L204 HydrophobicContact CG-CB 4.49Å; P201-L204 HydrophobicContact CG-CD1 4.18Å; P201-L204 PolarHBondContact O-N 2.88Å; E202-L204 VanDerWaalsContact C-N 3.26Å; E202-L204 PolarHBondContact O-N 3.02Å; L204-V207 PolarHBondContact O-N 3.03Å; L204-F208 HydrophobicContact CG-CD2 4.24Å; L204-F208 HydrophobicContact CG-CE2 4.45Å; L204-F208 WeakPolarHBondContact O-CB 3.06Å; L204-F208 PolarHBondContact O-N 3.05Å
205R59.3Low54Low94 Ų94104.6 Ų104.636%0.35553%0.527SS..Hα-helixtrans-63.4-49.3174.7-67.9-176.8177.4170.20.4110.4A94 E202 V207 F208 D209A94-R205 HydrophobicContact CB-CG 4.23Å; E202-R205 CarbonylContact O-C 3.56Å; E202-R205 WeakPolarHBondContact O-CA 3.44Å; E202-R205 WeakPolarHBondContact O-CB 3.45Å; E202-R205 PolarHBondContact O-N 2.96Å; R205-V207 VanDerWaalsContact C-N 3.26Å; R205-V207 PolarHBondContact O-N 3.21Å; R205-F208 PolarHBondContact O-N 3.26Å; R205-D209 CarbonylContact O-C 3.38Å; R205-D209 VanDerWaalsContact O-CA 3.25Å; R205-D209 WeakPolarHBondContact O-CA 3.44Å; R205-D209 VanDerWaalsContact O-CB 3.27Å; R205-D209 WeakPolarHBondContact O-CB 3.05Å; R205-D209 PolarHBondContact O-N 2.93Å
206T59.1Low54Low112 Ų11298.8 Ų98.869%0.68752%0.517SS*.Hα-helixtrans-63.6-30-180-45.80000113.4E202E202-T206 PolarHBondContact O-N 3.17Å; E202-T206 PolarHBondContact O-OG1 3.19Å
207V63.7Low53.9Low95 Ų95100.9 Ų100.958%0.57652%0.524SS*.Hα-helixtrans-86.7-34.2-178.8173.20000112.8L203 L204 R205L203-V207 WeakPolarHBondContact O-CB 3.03Å; L203-V207 WeakPolarHBondContact O-CG2 3.38Å; L203-V207 PolarHBondContact O-N 2.87Å; L204-V207 PolarHBondContact O-N 3.03Å; R205-V207 VanDerWaalsContact C-N 3.26Å; R205-V207 PolarHBondContact O-N 3.21Å
208F58.4Low53.8Low92 Ų92104.1 Ų104.140%0.40453%0.534SS..Hα-helixtrans-113.4-28.7-172.9-70.4-76.5000114.8T93 A94 L204 R205 T210T93-F208 PolarHBondContact OG1-O 3.16Å; A94-F208 HydrophobicContact CB-CB 4.29Å; L204-F208 HydrophobicContact CG-CD2 4.24Å; L204-F208 HydrophobicContact CG-CE2 4.45Å; L204-F208 WeakPolarHBondContact O-CB 3.06Å; L204-F208 PolarHBondContact O-N 3.05Å; R205-F208 PolarHBondContact O-N 3.26Å; F208-T210 PolarHBondContact O-N 2.9Å
209D57.1Low53.2Low44 Ų44106.1 Ų106.124%0.23555%0.547CS..  trans-92.889.3166.9-70.9-23.5000107.6R205 Q211R205-D209 CarbonylContact O-C 3.38Å; R205-D209 VanDerWaalsContact O-CA 3.25Å; R205-D209 WeakPolarHBondContact O-CA 3.44Å; R205-D209 VanDerWaalsContact O-CB 3.27Å; R205-D209 WeakPolarHBondContact O-CB 3.05Å; R205-D209 PolarHBondContact O-N 2.93Å; D209-Q211 PolarHBondContact O-N 3.03Å; D209-Q211 VanDerWaalsContact O-N 3.17Å
210T49.4Very low53.4Low127 Ų127104.9 Ų104.978%0.77954%0.543SS*.  trans-64.6117.6155.9-46.80000105.2F208 E212F208-T210 PolarHBondContact O-N 2.9Å; T210-E212 PolarHBondContact O-N 3.47Å
211Q44.6Very low53.3Low151 Ų151109.4 Ų109.471%0.70657%0.572SS**  trans-44.793.1-178.7-142.6-170.5-500110.6D209 E213D209-Q211 PolarHBondContact O-N 3.03Å; D209-Q211 VanDerWaalsContact O-N 3.17Å; Q211-E213 HydrophobicContact CB-CG 4.48Å; Q211-E213 HydrophobicContact CG-CG 3.74Å; Q211-E213 PolarHBondContact NE2-OE1 3.46Å; Q211-E213 PolarHBondContact O-N 3.25Å; Q211-E213 VanDerWaalsContact O-N 3.16Å
212E46.1Very low53.2Low190 Ų190115.1 Ų115.189%0.88859%0.594SS**  trans-78.884.4152.7-79.5-172.5167.500103.9T210 D214T210-E212 PolarHBondContact O-N 3.47Å; E212-D214 VanDerWaalsContact C-N 3.31Å; E212-D214 PolarHBondContact O-N 3.35Å
213E43.2Very low52.9Low137 Ų137112.9 Ų112.964%0.6458%0.583SS**  trans-54.2103.1163.3-69.4-173.5157.800106.4Q211 P215Q211-E213 HydrophobicContact CB-CG 4.48Å; Q211-E213 HydrophobicContact CG-CG 3.74Å; Q211-E213 PolarHBondContact NE2-OE1 3.46Å; Q211-E213 PolarHBondContact O-N 3.25Å; Q211-E213 VanDerWaalsContact O-N 3.16Å; E213-P215 WeakPolarHBondContact O-CD 3.47Å; E213-P215 VanDerWaalsContact O-N 3.1Å
214D44.6Very low52.6Low94 Ų94111.6 Ų111.650%0.50357%0.574SS.*  trans-60.2113.9168.3-175.2-14.2000106E212 S216 Y217E212-D214 VanDerWaalsContact C-N 3.31Å; E212-D214 PolarHBondContact O-N 3.35Å; D214-S216 PolarHBondContact O-N 3Å; D214-S216 VanDerWaalsContact OD1-CB 3.23Å; D214-S216 WeakPolarHBondContact OD1-CB 3.48Å; D214-S216 PolarHBondContact OD1-N 2.96Å; D214-S216 PolarHBondContact OD1-OG 3.2Å; D214-Y217 WeakPolarHBondContact O-CB 3.42Å; D214-Y217 PolarHBondContact O-N 3.41Å
215P52.3Low52Low134 Ų134112.4 Ų112.487%0.8758%0.584SS**THydrogen-bonded Turntrans-61-9.1-178.9-15.527.7000112.7E213E213-P215 WeakPolarHBondContact O-CD 3.47Å; E213-P215 VanDerWaalsContact O-N 3.1Å
216S49.2Very low51.4Low81 Ų81109.9 Ų109.957%0.56659%0.588SS**THydrogen-bonded Turntrans-104.81.7-177.2-21.30000113.1D214 F218D214-S216 PolarHBondContact O-N 3Å; D214-S216 VanDerWaalsContact OD1-CB 3.23Å; D214-S216 WeakPolarHBondContact OD1-CB 3.48Å; D214-S216 PolarHBondContact OD1-N 2.96Å; D214-S216 PolarHBondContact OD1-OG 3.2Å; S216-F218 WeakPolarHBondContact O-CD2 3.42Å; S216-F218 PolarHBondContact O-N 3.21Å; S216-F218 VanDerWaalsContact O-N 3.14Å
217Y55Low51Low136 Ų136110.6 Ų110.653%0.53358%0.583SS.*  trans-72.2107.8179.1-172.7-105.2000110.4D214 P219 E223D214-Y217 WeakPolarHBondContact O-CB 3.42Å; D214-Y217 PolarHBondContact O-N 3.41Å; Y217-P219 HydrophobicContact CE1-CB 4.25Å; Y217-E223 PolarHBondContact OH-OE2 3.25Å
218F52.7Low50.1Low179 Ų179113 Ų11379%0.78559%0.586SS**PPolyproline II helixtrans-87117.7165.3-69.9-87.2000107.7S216S216-F218 WeakPolarHBondContact O-CD2 3.42Å; S216-F218 PolarHBondContact O-N 3.21Å; S216-F218 VanDerWaalsContact O-N 3.14Å
219P47Very low49.4Very low49 Ų49117.7 Ų117.732%0.31860%0.601SS.*PPolyproline II helixtrans-58.2145.5178.821.6-30.6000110.6Y217 E223 Q224Y217-P219 HydrophobicContact CE1-CB 4.25Å; P219-E223 HydrophobicContact CB-CB 4.24Å; P219-Q224 HydrophobicContact CB-CG 4.5Å; P219-Q224 HydrophobicContact CG-CG 4.09Å
220L55.6Low49.1Very low108 Ų108123.3 Ų123.357%0.56563%0.626SS**PPolyproline II helixtrans-64.3148.5176.9-69.2167.1000109.3E222 E223 Q224L220-E222 PolarHBondContact O-N 3.48Å; L220-E223 PolarHBondContact O-N 2.83Å; L220-Q224 PolarHBondContact O-N 3.1Å
221P54Low49.2Very low101 Ų101124.5 Ų124.566%0.65663%0.628SS**Hα-helixtrans-55.5-24.8-176.2-26.733.9000114.9A225P221-A225 PolarHBondContact O-N 3.06Å
222E54.8Low49.3Very low176 Ų176124 Ų12482%0.82263%0.625SS**Hα-helixtrans-71.7-30.1175.2-88.8171.2145.400113.7L220L220-E222 PolarHBondContact O-N 3.48Å
223E49.4Very low49.3Very low104 Ų104118.3 Ų118.349%0.48662%0.618SS.*Hα-helixtrans-74.9-39.4174.8-83.9174.2144.200111.5Y217 P219 L220 A225 G226 E227Y217-E223 PolarHBondContact OH-OE2 3.25Å; P219-E223 HydrophobicContact CB-CB 4.24Å; L220-E223 PolarHBondContact O-N 2.83Å; E223-A225 VanDerWaalsContact C-N 3.26Å; E223-A225 PolarHBondContact O-N 3.11Å; E223-G226 PolarHBondContact O-N 3.26Å; E223-G226 VanDerWaalsContact O-N 3.13Å; E223-E227 PolarHBondContact O-N 3.03Å
224Q51.3Low49.6Very low109 Ų109115 Ų11551%0.50962%0.621SS.*Hα-helixtrans-61.7-34.1174.6-72.3-177.3-37.900112.7P219 L220 G226 F228P219-Q224 HydrophobicContact CB-CG 4.5Å; P219-Q224 HydrophobicContact CG-CG 4.09Å; L220-Q224 PolarHBondContact O-N 3.1Å; Q224-G226 VanDerWaalsContact C-N 3.32Å; Q224-F228 PolarHBondContact O-N 2.92Å
225A45.3Very low49.8Very low47 Ų47118 Ų11839%0.38864%0.637SS.*Hα-helixtrans-67.7-33.6177.500000111.8P221 E223P221-A225 PolarHBondContact O-N 3.06Å; E223-A225 VanDerWaalsContact C-N 3.26Å; E223-A225 PolarHBondContact O-N 3.11Å
226G47.3Very low49.6Very low41 Ų41115.9 Ų115.942%0.42364%0.64SS.*Hα-helixtrans-68.6-39.3179.200000113.6E223 Q224 Q230E223-G226 PolarHBondContact O-N 3.26Å; E223-G226 VanDerWaalsContact O-N 3.13Å; Q224-G226 VanDerWaalsContact C-N 3.32Å; G226-Q230 PolarHBondContact O-N 3.36Å
227E50.4Low49.2Very low127 Ų127114.9 Ų114.959%0.59364%0.643SS**Hα-helixtrans-71.1-37.2178.7-66.9-175.912300112E223 W229 Q230 D231E223-E227 PolarHBondContact O-N 3.03Å; E227-W229 VanDerWaalsContact C-N 3.27Å; E227-W229 PolarHBondContact O-N 3.03Å; E227-Q230 PolarHBondContact O-N 3.44Å; E227-Q230 VanDerWaalsContact O-N 3.11Å; E227-D231 PolarHBondContact O-N 2.78Å
228F43.9Very low48.9Very low147 Ų147117.3 Ų117.365%0.64566%0.659SS**Hα-helixtrans-62.2-31.5-179.3-130.2-86.4000113.6Q224Q224-F228 PolarHBondContact O-N 2.92Å
229W45Very low48.5Very low189 Ų189115 Ų11572%0.71666%0.662SS**Hα-helixtrans-85.5-21.1177-65.4114.3000113.4E227E227-W229 VanDerWaalsContact C-N 3.27Å; E227-W229 PolarHBondContact O-N 3.03Å
230Q49.3Very low48.3Very low162 Ų162119.4 Ų119.476%0.75768%0.683SS**Hα-helixtrans-74.4-37.2175.6-96.2172.66.800111.9G226 E227G226-Q230 PolarHBondContact O-N 3.36Å; E227-Q230 PolarHBondContact O-N 3.44Å; E227-Q230 VanDerWaalsContact O-N 3.11Å
231D52.4Low48.1Very low153 Ų153121.3 Ų121.382%0.81869%0.693SS**Hα-helixtrans-74.1-26.3176.7-101.1-31.3000113.6E227E227-D231 PolarHBondContact O-N 2.78Å
232Q46.9Very low47.4Very low139 Ų139124.6 Ų124.665%0.6570%0.7SS**Hα-helixtrans-86.6-11-179.8-100.6178.238.700114.9
233G46.4Very low46.8Very low72 Ų72119.7 Ų119.774%0.74270%0.696SS**THydrogen-bonded Turntrans-88.50.9-17500000115.7
234G48.2Very low46.1Very low68 Ų68127.8 Ų127.870%0.70173%0.734SS**SBendtrans-12536.4-16300000116.2
235D48.8Very low45.8Very low155 Ų155128.8 Ų128.883%0.82975%0.745SS**  trans-147.378.4164.6-157.117.5000111.8
236G48.4Very low45.9Very low91 Ų91133.1 Ų133.194%0.93876%0.764SS**  trans-95.162.9166.500000110.6
237G41.3Very low45.8Very low60 Ų60138.2 Ų138.262%0.61978%0.783SS**PPolyproline II helixtrans-97125.3172.900000111.9
238E48.4Very low45.5Very low187 Ų187138.8 Ų138.887%0.87479%0.794SS**PPolyproline II helixtrans-49.6149.2-175.9-71.416387.600116N240E238-N240 PolarHBondContact O-N 3Å
239P43.8Very low45.6Very low130 Ų130138.3 Ų138.384%0.84480%0.804SS**PPolyproline II helixtrans-79.2118.2174.631.8-29.5000110.4D241P239-D241 PolarHBondContact O-N 3.35Å
240N42.6Very low45.7Very low142 Ų142134.9 Ų134.976%0.75981%0.81SS**  trans-81.6114.6172.4-16220.1000110E238E238-N240 PolarHBondContact O-N 3Å
241D51.3Low45.4Very low147 Ų147133 Ų13379%0.78681%0.813SS**  trans-76.6109.9174.2-164.4-50.1000109.7P239P239-D241 PolarHBondContact O-N 3.35Å
242Q40.2Very low44.9Very low171 Ų171131.5 Ų131.580%0.79981%0.813SS**  trans-146.597.6162.6-69.8-1672.400111.8
243G42.5Very low44.7Very low72 Ų72130.8 Ų130.874%0.74283%0.827SS**  71.2103.411800000120.2
244Q34.6Very low44.6Very low275 Ų275136.2 Ų136.2100%1.28583%0.834SS**  -132.20126-79.8-170.20.700109.4

Retrieved 244 of 244 residues in 50.7 ms (Link to these results)

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