A0A060XYN7_ONCMY Loading...

Phosphatidylinositol-glycan biosynthesis class F protein

AlphaFold DB , UniProt , Accession A0A060XYN7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110491389, Length 219 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
1M65.1Low83.5Confident156 Ų15682.3 Ų82.377%0.76840%0.397SS*.  0-62.20-105.3-172.5-68.100111.6D3 Q4 E5M1-D3 PolarHBondContact O-N 3.45Å; M1-Q4 WeakPolarHBondContact O-CB 3.44Å; M1-Q4 PolarHBondContact O-N 3.31Å; M1-E5 PolarHBondContact O-N 3.24Å; M1-E5 VanDerWaalsContact O-N 3.08Å
2W68.8Low84.2Confident67 Ų6775.6 Ų75.625%0.25437%0.365SS..Hα-helixtrans-55.5-43.8179-82.478.8000114.8Q4 E5 I6 V150 I207 L214 Y216W2-Q4 PolarHBondContact O-N 3.33Å; W2-E5 PolarHBondContact O-N 3.36Å; W2-I6 HydrophobicContact CE3-CD1 4.34Å; W2-I6 WeakPolarHBondContact O-CB 3.17Å; W2-I6 VanDerWaalsContact O-CG1 3.23Å; W2-I6 WeakPolarHBondContact O-CG1 3.38Å; W2-I6 PolarHBondContact O-N 3.04Å; W2-V150 HydrophobicContact CE3-CG2 3.85Å; W2-V150 HydrophobicContact CZ3-CG2 3.96Å; W2-I207 HydrophobicContact CZ3-CG2 4.17Å; W2-L214 HydrophobicContact CH2-CB 3.57Å; W2-L214 HydrophobicContact CH2-CD1 4.46Å; W2-L214 WeakPolarHBondContact CH2-O 3.4Å; W2-L214 WeakPolarHBondContact CZ2-O 3.3Å; W2-L214 HydrophobicContact CZ3-CB 4.2Å; W2-L214 HydrophobicContact CZ3-CD1 4.3Å; W2-Y216 HydrophobicContact CE3-CD2 4.15Å; W2-Y216 HydrophobicContact CE3-CE2 4.16Å; W2-Y216 HydrophobicContact CH2-CD1 4.37Å; W2-Y216 AromaticContact CH2-CD2 2.8Å; W2-Y216 HydrophobicContact CH2-CD2 2.8Å; W2-Y216 AromaticContact CH2-CE2 3.03Å; W2-Y216 HydrophobicContact CH2-CE2 3.03Å; W2-Y216 AromaticContact CH2-CG 3.51Å; W2-Y216 HydrophobicContact CH2-CG 3.51Å; W2-Y216 AromaticContact CH2-CZ 3.96Å; W2-Y216 AromaticContact CZ2-CD2 3.23Å; W2-Y216 HydrophobicContact CZ2-CD2 3.23Å; W2-Y216 AromaticContact CZ2-CE2 3.95Å; W2-Y216 HydrophobicContact CZ2-CE2 3.95Å; W2-Y216 AromaticContact CZ2-CG 3.68Å; W2-Y216 HydrophobicContact CZ2-CG 3.68Å; W2-Y216 AromaticContact CZ3-CD2 3.31Å; W2-Y216 HydrophobicContact CZ3-CD2 3.31Å; W2-Y216 AromaticContact CZ3-CE2 3.12Å; W2-Y216 HydrophobicContact CZ3-CE2 3.12Å; W2-Y216 HydrophobicContact CZ3-CG 4.39Å
3D78.1Confident85.1Confident90 Ų9070.2 Ų70.248%0.48134%0.339SS..Hα-helixtrans-65.2-27.3178.9-58.1-50.4000112.5M1 R7 R211M1-D3 PolarHBondContact O-N 3.45Å; D3-R7 VanDerWaalsContact O-CB 3.29Å; D3-R7 WeakPolarHBondContact O-CB 3.26Å; D3-R7 PolarHBondContact O-N 2.81Å; D3-R211 IonicContact OD1-NH1 3.1Å; D3-R211 PolarHBondContact OD1-NH1 3.19Å; D3-R211 VanDerWaalsContact OD1-NH1 3.1Å
4Q83.2Confident85.9Confident120 Ų12069 Ų6956%0.56135%0.347SS*.Hα-helixtrans-74.6-45.7174.9-176.8179.7-6.400111.1M1 W2 R7 Q8M1-Q4 WeakPolarHBondContact O-CB 3.44Å; M1-Q4 PolarHBondContact O-N 3.31Å; W2-Q4 PolarHBondContact O-N 3.33Å; Q4-R7 PolarHBondContact O-N 3.37Å; Q4-Q8 WeakPolarHBondContact O-CB 3.29Å; Q4-Q8 WeakPolarHBondContact O-CG 3.36Å; Q4-Q8 PolarHBondContact O-N 3.28Å
5E84.3Confident86.5Confident74 Ų7470.1 Ų70.135%0.34635%0.353SS..Hα-helixtrans-63.1-41.6175.5-68.5-171.2158.900111.7M1 W2 Q8 M9 V150M1-E5 PolarHBondContact O-N 3.24Å; M1-E5 VanDerWaalsContact O-N 3.08Å; W2-E5 PolarHBondContact O-N 3.36Å; E5-Q8 PolarHBondContact O-N 3.15Å; E5-M9 WeakPolarHBondContact O-CB 3.09Å; E5-M9 PolarHBondContact O-N 3.39Å; E5-V150 HydrophobicContact CB-CG2 4.32Å
6I86.1Confident87.1Confident15 Ų1566.3 Ų66.38%0.07733%0.334CS..Hα-helixtrans-64.1-42.3175.5-66.8167.4000110.4W2 M9 A10 V150 I207W2-I6 HydrophobicContact CE3-CD1 4.34Å; W2-I6 WeakPolarHBondContact O-CB 3.17Å; W2-I6 VanDerWaalsContact O-CG1 3.23Å; W2-I6 WeakPolarHBondContact O-CG1 3.38Å; W2-I6 PolarHBondContact O-N 3.04Å; I6-M9 HydrophobicContact CG1-CE 4.44Å; I6-M9 HydrophobicContact CG2-CE 4.31Å; I6-M9 PolarHBondContact O-N 2.92Å; I6-A10 VanDerWaalsContact O-CB 3.26Å; I6-A10 WeakPolarHBondContact O-CB 3.38Å; I6-A10 PolarHBondContact O-N 3.17Å; I6-V150 HydrophobicContact CG1-CG1 4.37Å; I6-I207 HydrophobicContact CD1-CG2 4Å; I6-I207 HydrophobicContact CG1-CG2 4.09Å
7R88.1Confident87.7Confident202 Ų20264.4 Ų64.476%0.76233%0.331SS*.Hα-helixtrans-61.8-43.8174.2-96.7179.2164.7175-3.7112.4D3 Q4 A10 S11D3-R7 VanDerWaalsContact O-CB 3.29Å; D3-R7 WeakPolarHBondContact O-CB 3.26Å; D3-R7 PolarHBondContact O-N 2.81Å; Q4-R7 PolarHBondContact O-N 3.37Å; R7-A10 PolarHBondContact O-N 3.49Å; R7-S11 WeakPolarHBondContact O-CB 3.41Å; R7-S11 PolarHBondContact O-N 3.5Å; R7-S11 PolarHBondContact O-OG 3.14Å
8Q88.7Confident88.2Confident83 Ų8364.8 Ų64.839%0.38834%0.34SS..Hα-helixtrans-65.1-40.4177.7-74.8175.5-1000112.1Q4 E5 S11 S12Q4-Q8 WeakPolarHBondContact O-CB 3.29Å; Q4-Q8 WeakPolarHBondContact O-CG 3.36Å; Q4-Q8 PolarHBondContact O-N 3.28Å; E5-Q8 PolarHBondContact O-N 3.15Å; Q8-S11 PolarHBondContact O-OG 3.21Å; Q8-S12 WeakPolarHBondContact O-CB 3.44Å; Q8-S12 PolarHBondContact O-N 3.03Å; Q8-S12 PolarHBondContact O-OG 3.4Å
9M90.3Very high88.7Confident0 Ų062.1 Ų62.10%033%0.329CS..Hα-helixtrans-63.5-48173175.9-17451.600110.8E5 I6 S11 S12 H13 V150 W151 S154 P204 I207E5-M9 WeakPolarHBondContact O-CB 3.09Å; E5-M9 PolarHBondContact O-N 3.39Å; I6-M9 HydrophobicContact CG1-CE 4.44Å; I6-M9 HydrophobicContact CG2-CE 4.31Å; I6-M9 PolarHBondContact O-N 2.92Å; M9-S11 PolarHBondContact O-N 2.75Å; M9-S12 WeakPolarHBondContact O-CB 3.35Å; M9-S12 PolarHBondContact O-N 3.16Å; M9-H13 WeakPolarHBondContact CG-NE2 3.45Å; M9-H13 WeakPolarHBondContact O-CB 3.42Å; M9-H13 PolarHBondContact O-CD2 2.68Å; M9-H13 VanDerWaalsContact O-CG 3.25Å; M9-H13 PolarHBondContact O-N 3.36Å; M9-V150 HydrophobicContact CB-CG1 4.41Å; M9-V150 HydrophobicContact CE-CG1 3.45Å; M9-V150 VanDerWaalsContact CE-CG1 3.45Å; M9-V150 HydrophobicContact SD-CG1 3.59Å; M9-V150 VanDerWaalsContact SD-CG1 3.59Å; M9-W151 HydrophobicContact CB-CH2 4.06Å; M9-W151 HydrophobicContact CB-CZ2 4.16Å; M9-W151 HydrophobicContact CB-CZ3 4.33Å; M9-W151 HydrophobicContact CG-CE3 4.49Å; M9-W151 HydrophobicContact CG-CH2 4.45Å; M9-W151 HydrophobicContact CG-CZ3 4.23Å; M9-S154 WeakPolarHBondContact SD-CB 3.48Å; M9-P204 HydrophobicContact CE-CB 3.82Å; M9-I207 HydrophobicContact CE-CD1 3.88Å; M9-I207 HydrophobicContact SD-CD1 4.01Å
10A92.7Very high89.1Confident37 Ų3759.2 Ų59.231%0.30631%0.314SS..Hα-helixtrans-62-41.2179.900000112.1I6 R7 H13 A14 P204I6-A10 VanDerWaalsContact O-CB 3.26Å; I6-A10 WeakPolarHBondContact O-CB 3.38Å; I6-A10 PolarHBondContact O-N 3.17Å; R7-A10 PolarHBondContact O-N 3.49Å; A10-H13 PolarHBondContact O-N 3.19Å; A10-A14 PolarHBondContact O-N 3.14Å; A10-P204 HydrophobicContact CB-CB 4.41Å
11S92.8Very high89.5Confident61 Ų6162.8 Ų62.843%0.42733%0.327SS..Hα-helixtrans-65.9-41.4174.864.20000111.8R7 Q8 M9 H13 A14 I15R7-S11 WeakPolarHBondContact O-CB 3.41Å; R7-S11 PolarHBondContact O-N 3.5Å; R7-S11 PolarHBondContact O-OG 3.14Å; Q8-S11 PolarHBondContact O-OG 3.21Å; M9-S11 PolarHBondContact O-N 2.75Å; S11-H13 VanDerWaalsContact C-N 3.3Å; S11-H13 PolarHBondContact O-N 2.98Å; S11-A14 PolarHBondContact O-N 3.37Å; S11-I15 WeakPolarHBondContact O-CG1 3.31Å; S11-I15 PolarHBondContact O-N 3.1Å
12S92.5Very high91Very high2 Ų259.9 Ų59.91%0.01431%0.313CS..Hα-helixtrans-60.7-41.4174.4-57.60000111.6Q8 M9 I15 M16 L62Q8-S12 WeakPolarHBondContact O-CB 3.44Å; Q8-S12 PolarHBondContact O-N 3.03Å; Q8-S12 PolarHBondContact O-OG 3.4Å; M9-S12 WeakPolarHBondContact O-CB 3.35Å; M9-S12 PolarHBondContact O-N 3.16Å; S12-I15 PolarHBondContact O-N 2.69Å; S12-M16 VanDerWaalsContact O-CG 3.3Å; S12-M16 WeakPolarHBondContact O-CG 3.26Å; S12-M16 PolarHBondContact O-N 3.01Å; S12-L62 WeakPolarHBondContact OG-CD1 3.46Å
13H95.4Very high92.3Very high5 Ų556.9 Ų56.92%0.02330%0.303CS..Hα-helixtrans-65.6-40.4176-73.8-162.3000112M9 A10 S11 I15 M16 A17 R126 S154 L200M9-H13 WeakPolarHBondContact CG-NE2 3.45Å; M9-H13 WeakPolarHBondContact O-CB 3.42Å; M9-H13 PolarHBondContact O-CD2 2.68Å; M9-H13 VanDerWaalsContact O-CG 3.25Å; M9-H13 PolarHBondContact O-N 3.36Å; A10-H13 PolarHBondContact O-N 3.19Å; S11-H13 VanDerWaalsContact C-N 3.3Å; S11-H13 PolarHBondContact O-N 2.98Å; H13-I15 VanDerWaalsContact C-N 3.32Å; H13-I15 PolarHBondContact O-N 2.84Å; H13-M16 PolarHBondContact O-N 3.2Å; H13-A17 WeakPolarHBondContact O-CB 3.31Å; H13-A17 PolarHBondContact O-N 3.12Å; H13-R126 PolarHBondContact CD2-NH2 2.88Å; H13-R126 VanDerWaalsContact CD2-NH2 3.29Å; H13-R126 PolarHBondContact NE2-NH2 3.16Å; H13-S154 PolarHBondContact CE1-OG 3.35Å; H13-S154 PolarHBondContact NE2-OG 3.45Å; H13-L200 HydrophobicContact CB-CB 4.11Å; H13-L200 HydrophobicContact CB-CD2 4.1Å; H13-L200 WeakPolarHBondContact ND1-CA 3.36Å; H13-L200 PolarHBondContact ND1-O 2.95Å
14A96.3Very high93.1Very high54 Ų5454.6 Ų54.645%0.44629%0.292SS..Hα-helixtrans-61.7-41.1174.300000111.5A10 S11 A17 S18A10-A14 PolarHBondContact O-N 3.14Å; S11-A14 PolarHBondContact O-N 3.37Å; A14-A17 PolarHBondContact O-N 3.18Å; A14-S18 WeakPolarHBondContact O-CB 3.21Å; A14-S18 PolarHBondContact O-N 2.84Å; A14-S18 PolarHBondContact O-OG 3.36Å
15I95.9Very high93.7Very high86 Ų8651.2 Ų51.244%0.44128%0.279SS..Hα-helixtrans-63.4-43.9174.8-65165.3000110.9S11 S12 H13 S18 G19 V54 L58S11-I15 WeakPolarHBondContact O-CG1 3.31Å; S11-I15 PolarHBondContact O-N 3.1Å; S12-I15 PolarHBondContact O-N 2.69Å; H13-I15 VanDerWaalsContact C-N 3.32Å; H13-I15 PolarHBondContact O-N 2.84Å; I15-S18 PolarHBondContact O-N 3.23Å; I15-G19 PolarHBondContact O-N 2.85Å; I15-V54 HydrophobicContact CG2-CG1 3.86Å; I15-L58 HydrophobicContact CD1-CD2 4Å; I15-L58 HydrophobicContact CG2-CD1 4.41Å; I15-L58 HydrophobicContact CG2-CD2 4.35Å
16M95.4Very high94.3Very high9 Ų950.8 Ų50.84%0.04428%0.281CS..Hα-helixtrans-61.2-46.4175.9-68.9172.8-169.600112.2S12 H13 G19 V20 V54 N55 L58 Y196 L200S12-M16 VanDerWaalsContact O-CG 3.3Å; S12-M16 WeakPolarHBondContact O-CG 3.26Å; S12-M16 PolarHBondContact O-N 3.01Å; H13-M16 PolarHBondContact O-N 3.2Å; M16-G19 PolarHBondContact O-N 3.48Å; M16-G19 VanDerWaalsContact O-N 3.17Å; M16-V20 PolarHBondContact O-N 3.43Å; M16-V54 HydrophobicContact CB-CG1 4.45Å; M16-V54 HydrophobicContact CG-CG1 3.87Å; M16-N55 VanDerWaalsContact CE-OD1 3.27Å; M16-N55 WeakPolarHBondContact CE-OD1 3.49Å; M16-L58 HydrophobicContact CE-CD1 3.48Å; M16-L58 VanDerWaalsContact CE-CD1 3.48Å; M16-L58 HydrophobicContact CG-CD1 3.82Å; M16-Y196 PolarHBondContact SD-OH 3.36Å; M16-L200 HydrophobicContact CB-CD1 3.75Å; M16-L200 HydrophobicContact CB-CD2 4.42Å; M16-L200 HydrophobicContact SD-CD2 3.9Å
17A97.4Very high94.8Very high34 Ų3450.5 Ų50.528%0.28128%0.281SS..Hα-helixtrans-63-43.9178.300000111.6H13 A14 G19 V20 F21 L197 L200H13-A17 WeakPolarHBondContact O-CB 3.31Å; H13-A17 PolarHBondContact O-N 3.12Å; A14-A17 PolarHBondContact O-N 3.18Å; A17-G19 VanDerWaalsContact C-N 3.29Å; A17-G19 PolarHBondContact O-N 2.83Å; A17-V20 PolarHBondContact O-N 3.46Å; A17-F21 PolarHBondContact O-N 2.75Å; A17-L197 HydrophobicContact CB-CD2 3.88Å; A17-L200 HydrophobicContact CB-CD1 4.09Å
18S97.3Very high95.2Very high71 Ų7143.6 Ų43.650%0.49727%0.267SS..Hα-helixtrans-60.6-38.5173-64.90000112A14 I15 F21 M22A14-S18 WeakPolarHBondContact O-CB 3.21Å; A14-S18 PolarHBondContact O-N 2.84Å; A14-S18 PolarHBondContact O-OG 3.36Å; I15-S18 PolarHBondContact O-N 3.23Å; S18-F21 PolarHBondContact O-N 3.41Å; S18-M22 WeakPolarHBondContact O-CB 3.42Å; S18-M22 WeakPolarHBondContact O-CG 3.25Å; S18-M22 PolarHBondContact O-N 2.93Å
19G96.8Very high95.6Very high13 Ų1345.1 Ų45.113%0.13428%0.281CS..Hα-helixtrans-60.8-44.7174.400000113I15 M16 A17 M22 A23I15-G19 PolarHBondContact O-N 2.85Å; M16-G19 PolarHBondContact O-N 3.48Å; M16-G19 VanDerWaalsContact O-N 3.17Å; A17-G19 VanDerWaalsContact C-N 3.29Å; A17-G19 PolarHBondContact O-N 2.83Å; G19-M22 PolarHBondContact O-N 3.44Å; G19-A23 WeakPolarHBondContact O-CB 3.39Å; G19-A23 PolarHBondContact O-N 2.88Å
20V97Very high95.9Very high5 Ų551 Ų513%0.0331%0.313CS..Hα-helixtrans-63.2-41.4174.9172.70000111.4M16 A17 A23 V47 V51 V193 Y196 L197M16-V20 PolarHBondContact O-N 3.43Å; A17-V20 PolarHBondContact O-N 3.46Å; V20-A23 WeakPolarHBondContact O-CB 3.4Å; V20-A23 PolarHBondContact O-N 2.72Å; V20-V47 HydrophobicContact CG1-CG1 4.39Å; V20-V51 HydrophobicContact CG2-CG2 3.67Å; V20-V193 HydrophobicContact CG1-CG1 3.61Å; V20-Y196 HydrophobicContact CG2-CD1 4.26Å; V20-Y196 HydrophobicContact CG2-CE1 4.05Å; V20-L197 HydrophobicContact CB-CD2 4.15Å; V20-L197 HydrophobicContact CG1-CD1 4.29Å; V20-L197 HydrophobicContact CG1-CD2 4.18Å; V20-L197 HydrophobicContact CG1-CG 4.44Å; V20-L197 HydrophobicContact CG2-CD2 4.39Å
21F96.9Very high96.1Very high135 Ų13552 Ų5259%0.59231%0.314SS*.Hα-helixtrans-61-48.7175.2177.9-104.3000111.3A17 S18 A23 T24 V25A17-F21 PolarHBondContact O-N 2.75Å; S18-F21 PolarHBondContact O-N 3.41Å; F21-A23 VanDerWaalsContact C-N 3.25Å; F21-A23 PolarHBondContact O-N 2.86Å; F21-T24 PolarHBondContact O-N 3.41Å; F21-V25 HydrophobicContact CD1-CG2 4.02Å; F21-V25 HydrophobicContact CD2-CG2 4.48Å; F21-V25 HydrophobicContact CE1-CG2 3.57Å; F21-V25 HydrophobicContact CE2-CG2 4.07Å; F21-V25 HydrophobicContact CG-CG2 4.46Å; F21-V25 HydrophobicContact CZ-CG2 3.59Å; F21-V25 PolarHBondContact O-N 3.5Å; F21-V25 VanDerWaalsContact O-N 3.09Å
22M97.1Very high96.3Very high94 Ų9455.1 Ų55.146%0.46333%0.333SS..Hα-helixtrans-63.7-30177.8-69.8-54.6-67.400112.8S18 G19 T24 V25 V26S18-M22 WeakPolarHBondContact O-CB 3.42Å; S18-M22 WeakPolarHBondContact O-CG 3.25Å; S18-M22 PolarHBondContact O-N 2.93Å; G19-M22 PolarHBondContact O-N 3.44Å; M22-T24 PolarHBondContact O-N 3.18Å; M22-V25 PolarHBondContact O-N 3.44Å; M22-V25 HydrophobicContact SD-CB 4.43Å; M22-V26 HydrophobicContact CE-CG2 3.81Å; M22-V26 WeakPolarHBondContact O-CB 3.33Å; M22-V26 WeakPolarHBondContact O-CG2 3.29Å; M22-V26 PolarHBondContact O-N 3.46Å
23A96.2Very high96.4Very high5 Ų558.4 Ų58.44%0.04137%0.368CS..Hα-helixtrans-63.9-17.8172.900000113.7G19 V20 F21 P27 S46 V47 A50G19-A23 WeakPolarHBondContact O-CB 3.39Å; G19-A23 PolarHBondContact O-N 2.88Å; V20-A23 WeakPolarHBondContact O-CB 3.4Å; V20-A23 PolarHBondContact O-N 2.72Å; F21-A23 VanDerWaalsContact C-N 3.25Å; F21-A23 PolarHBondContact O-N 2.86Å; A23-P27 WeakPolarHBondContact O-CD 3.43Å; A23-P27 VanDerWaalsContact O-CG 3.31Å; A23-P27 WeakPolarHBondContact O-CG 3.14Å; A23-S46 WeakPolarHBondContact O-CB 3.33Å; A23-S46 PolarHBondContact O-OG 3.5Å; A23-V47 HydrophobicContact CB-CB 4.36Å; A23-V47 HydrophobicContact CB-CG2 3.91Å; A23-A50 HydrophobicContact CB-CB 3.6Å
24T94.2Very high96.5Very high42 Ų4259.7 Ų59.726%0.25837%0.373SS..Hα-helixtrans-94.8-42171.8-51.90000111F21 M22 A28 F34 V36 W43F21-T24 PolarHBondContact O-N 3.41Å; M22-T24 PolarHBondContact O-N 3.18Å; T24-A28 WeakPolarHBondContact O-CB 3.32Å; T24-A28 PolarHBondContact O-N 2.86Å; T24-F34 HydrophobicContact CG2-CE1 4.48Å; T24-V36 HydrophobicContact CG2-CG2 3.91Å; T24-W43 PolarHBondContact OG1-NE1 3.09Å
25V96.9Very high96.5Very high49 Ų4959.5 Ų59.530%0.29737%0.368SS..Hα-helixtrans-67.3-44.3-177.3175.40000112.4F21 M22 A28 V29F21-V25 HydrophobicContact CD1-CG2 4.02Å; F21-V25 HydrophobicContact CD2-CG2 4.48Å; F21-V25 HydrophobicContact CE1-CG2 3.57Å; F21-V25 HydrophobicContact CE2-CG2 4.07Å; F21-V25 HydrophobicContact CG-CG2 4.46Å; F21-V25 HydrophobicContact CZ-CG2 3.59Å; F21-V25 PolarHBondContact O-N 3.5Å; F21-V25 VanDerWaalsContact O-N 3.09Å; M22-V25 PolarHBondContact O-N 3.44Å; M22-V25 HydrophobicContact SD-CB 4.43Å; V25-A28 WeakPolarHBondContact O-CB 3.24Å; V25-A28 PolarHBondContact O-N 3.39Å; V25-V29 HydrophobicContact CG1-CG2 4.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.22Å; V25-V29 PolarHBondContact O-N 3.45Å
26V97Very high96.5Very high64 Ų6456.9 Ų56.939%0.38836%0.357SS..Hα-helixtrans-63.3-50.8-174.6172.20000111.7M22 A28 V29 L30M22-V26 HydrophobicContact CE-CG2 3.81Å; M22-V26 WeakPolarHBondContact O-CB 3.33Å; M22-V26 WeakPolarHBondContact O-CG2 3.29Å; M22-V26 PolarHBondContact O-N 3.46Å; V26-A28 VanDerWaalsContact C-N 3.29Å; V26-A28 PolarHBondContact O-N 2.84Å; V26-V29 PolarHBondContact O-N 3.26Å; V26-L30 HydrophobicContact CG1-CD1 3.57Å; V26-L30 HydrophobicContact CG1-CG 4.26Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 WeakPolarHBondContact O-CG 3.48Å; V26-L30 PolarHBondContact O-N 2.96Å
27P96.6Very high96.4Very high10 Ų1061 Ų617%0.06537%0.372CS..Hα-helixtrans-60.7-37.2173.7-24.735.9000113A23 V29 L30 V31 F34 S46A23-P27 WeakPolarHBondContact O-CD 3.43Å; A23-P27 VanDerWaalsContact O-CG 3.31Å; A23-P27 WeakPolarHBondContact O-CG 3.14Å; P27-V29 VanDerWaalsContact C-N 3.26Å; P27-V29 PolarHBondContact O-N 3.46Å; P27-L30 PolarHBondContact O-N 3.27Å; P27-V31 WeakPolarHBondContact O-CB 3.44Å; P27-V31 PolarHBondContact O-N 3.01Å; P27-F34 HydrophobicContact CB-CD1 4.42Å; P27-F34 HydrophobicContact CB-CD2 3.56Å; P27-F34 HydrophobicContact CB-CE1 4.36Å; P27-F34 HydrophobicContact CB-CE2 3.52Å; P27-F34 HydrophobicContact CB-CG 4.02Å; P27-F34 HydrophobicContact CB-CZ 3.94Å; P27-F34 HydrophobicContact CG-CE2 4.36Å; P27-S46 WeakPolarHBondContact CG-OG 3.44Å
28A95.9Very high96.3Very high57 Ų5762.3 Ų62.347%0.47139%0.389SS..Hα-helixtrans-62.6-32178.700000113.5T24 V25 V26 F34T24-A28 WeakPolarHBondContact O-CB 3.32Å; T24-A28 PolarHBondContact O-N 2.86Å; V25-A28 WeakPolarHBondContact O-CB 3.24Å; V25-A28 PolarHBondContact O-N 3.39Å; V26-A28 VanDerWaalsContact C-N 3.29Å; V26-A28 PolarHBondContact O-N 2.84Å; A28-F34 HydrophobicContact CB-CD1 3.59Å; A28-F34 HydrophobicContact CB-CE1 3.9Å
29V96.8Very high96.2Very high114 Ų11461.1 Ų61.169%0.69138%0.379SS*.Hα-helixtrans-85.8-39.4177.8175.20000111.8V25 V26 P27V25-V29 HydrophobicContact CG1-CG2 4.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.22Å; V25-V29 PolarHBondContact O-N 3.45Å; V26-V29 PolarHBondContact O-N 3.26Å; P27-V29 VanDerWaalsContact C-N 3.26Å; P27-V29 PolarHBondContact O-N 3.46Å
30L97.1Very high96.2Very high125 Ų12562.2 Ų62.265%0.65438%0.381SS*.Hα-helixtrans-94.5-23.2-168.5-61.8-176.9000114.5V26 P27V26-L30 HydrophobicContact CG1-CD1 3.57Å; V26-L30 HydrophobicContact CG1-CG 4.26Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 WeakPolarHBondContact O-CG 3.48Å; V26-L30 PolarHBondContact O-N 2.96Å; P27-L30 PolarHBondContact O-N 3.27Å
31V97.2Very high96.2Very high57 Ų5763.7 Ų63.735%0.34539%0.388SS..SBendtrans-110.5109.6-173.8-176.70000109.7P27 G33 F34 L42P27-V31 WeakPolarHBondContact O-CB 3.44Å; P27-V31 PolarHBondContact O-N 3.01Å; V31-G33 PolarHBondContact O-N 2.95Å; V31-F34 HydrophobicContact CB-CB 4.24Å; V31-F34 VanDerWaalsContact O-CB 3.31Å; V31-F34 WeakPolarHBondContact O-CB 3.32Å; V31-F34 PolarHBondContact O-N 2.98Å; V31-F34 VanDerWaalsContact O-N 3.14Å; V31-L42 HydrophobicContact CB-CD2 4.39Å; V31-L42 HydrophobicContact CG1-CD2 3.93Å; V31-L42 HydrophobicContact CG2-CD2 4.3Å
32P96.7Very high96.2Very high126 Ų12660.7 Ų60.782%0.81838%0.378SS*.THydrogen-bonded Turntrans-56.8132.4175.8-24.634.4000111.5F34P32-F34 VanDerWaalsContact C-N 3.29Å; P32-F34 PolarHBondContact O-N 3.45Å
33G94.4Very high96.3Very high72 Ų7256.6 Ų56.674%0.74236%0.357SS*.THydrogen-bonded Turntrans76.99.9-179.800000114.9V31 S35V31-G33 PolarHBondContact O-N 2.95Å; G33-S35 PolarHBondContact O-N 2.97Å
34F97Very high96.4Very high32 Ų3256.4 Ų56.414%0.1436%0.356CS..  trans-57.1131.6173.3175.1-97.5000111.6T24 P27 A28 V31 P32 V36 T39 L42 W43T24-F34 HydrophobicContact CG2-CE1 4.48Å; P27-F34 HydrophobicContact CB-CD1 4.42Å; P27-F34 HydrophobicContact CB-CD2 3.56Å; P27-F34 HydrophobicContact CB-CE1 4.36Å; P27-F34 HydrophobicContact CB-CE2 3.52Å; P27-F34 HydrophobicContact CB-CG 4.02Å; P27-F34 HydrophobicContact CB-CZ 3.94Å; P27-F34 HydrophobicContact CG-CE2 4.36Å; A28-F34 HydrophobicContact CB-CD1 3.59Å; A28-F34 HydrophobicContact CB-CE1 3.9Å; V31-F34 HydrophobicContact CB-CB 4.24Å; V31-F34 VanDerWaalsContact O-CB 3.31Å; V31-F34 WeakPolarHBondContact O-CB 3.32Å; V31-F34 PolarHBondContact O-N 2.98Å; V31-F34 VanDerWaalsContact O-N 3.14Å; P32-F34 VanDerWaalsContact C-N 3.29Å; P32-F34 PolarHBondContact O-N 3.45Å; F34-V36 HydrophobicContact CE1-CG2 4.14Å; F34-V36 HydrophobicContact CZ-CG2 4.22Å; F34-T39 WeakPolarHBondContact CD2-OG1 3.28Å; F34-L42 HydrophobicContact CD2-CD2 3.93Å; F34-L42 HydrophobicContact CD2-CG 4.38Å; F34-L42 HydrophobicContact CE2-CD2 4.47Å; F34-L42 HydrophobicContact CE2-CG 4.44Å; F34-W43 HydrophobicContact CE2-CB 3.89Å; F34-W43 HydrophobicContact CZ-CB 3.92Å; F34-W43 AromaticContact CZ-CD1 3.92Å; F34-W43 HydrophobicContact CZ-CG 4.26Å
35S96.1Very high96.6Very high49 Ų4959 Ų5934%0.34336%0.362SS..  trans-142.8135.8170.7171.60000109G33 Y37 G38 T39G33-S35 PolarHBondContact O-N 2.97Å; S35-Y37 PolarHBondContact O-N 3.15Å; S35-Y37 PolarHBondContact OG-N 3.41Å; S35-G38 PolarHBondContact OG-N 3.26Å; S35-G38 VanDerWaalsContact OG-N 3.15Å; S35-T39 PolarHBondContact N-OG1 3.33Å; S35-T39 CarbonylContact O-C 3.48Å; S35-T39 WeakPolarHBondContact O-CA 3.48Å; S35-T39 PolarHBondContact O-N 3.37Å; S35-T39 PolarHBondContact O-OG1 3.34Å
36V95.6Very high96.6Very high32 Ų3258.2 Ų58.219%0.19436%0.358CS..THydrogen-bonded Turntrans-56.3-34.5176.7174.90000111.2T24 F34 H40 W43 L190T24-V36 HydrophobicContact CG2-CG2 3.91Å; F34-V36 HydrophobicContact CE1-CG2 4.14Å; F34-V36 HydrophobicContact CZ-CG2 4.22Å; V36-H40 WeakPolarHBondContact O-CA 3.39Å; V36-H40 VanDerWaalsContact O-CB 3.31Å; V36-H40 WeakPolarHBondContact O-CB 3.33Å; V36-W43 HydrophobicContact CG1-CD2 3.79Å; V36-W43 HydrophobicContact CG1-CE3 4.08Å; V36-W43 HydrophobicContact CG1-CG 4.1Å; V36-W43 HydrophobicContact CG1-CZ2 4.45Å; V36-W43 HydrophobicContact CG2-CG 4.36Å; V36-L190 HydrophobicContact CG1-CD2 4.1Å
37Y95.3Very high96.7Very high94 Ų9455.2 Ų55.237%0.36934%0.34SS..THydrogen-bonded Turntrans-94-46.3-179.6-44.9-39.6000111.7S35 T39 H40 P180 W181 V186 L190S35-Y37 PolarHBondContact O-N 3.15Å; S35-Y37 PolarHBondContact OG-N 3.41Å; Y37-T39 PolarHBondContact O-N 2.97Å; Y37-H40 PolarHBondContact O-ND1 3.4Å; Y37-H40 VanDerWaalsContact O-ND1 3.16Å; Y37-P180 HydrophobicContact CD2-CB 4.49Å; Y37-P180 HydrophobicContact CD2-CG 4.17Å; Y37-W181 HydrophobicContact CD1-CB 4.1Å; Y37-W181 HydrophobicContact CE1-CB 3.85Å; Y37-W181 HydrophobicContact CE2-CB 4.35Å; Y37-W181 HydrophobicContact CG-CB 4.47Å; Y37-V186 HydrophobicContact CD1-CG1 3.72Å; Y37-V186 HydrophobicContact CE1-CG1 4.41Å; Y37-L190 HydrophobicContact CD1-CD1 4.45Å; Y37-L190 HydrophobicContact CE1-CD1 3.82Å
38G93.5Very high96.8Very high62 Ų6255 Ų5564%0.63934%0.338SS*.THydrogen-bonded Turntrans-70.6-29.6-176.900000114S35S35-G38 PolarHBondContact OG-N 3.26Å; S35-G38 VanDerWaalsContact OG-N 3.15Å
39T96Very high96.9Very high47 Ų4753.9 Ų53.929%0.28833%0.333SS..THydrogen-bonded Turntrans-121.543.4176.358.40000110.7F34 S35 Y37 L41 L42 W43F34-T39 WeakPolarHBondContact CD2-OG1 3.28Å; S35-T39 PolarHBondContact N-OG1 3.33Å; S35-T39 CarbonylContact O-C 3.48Å; S35-T39 WeakPolarHBondContact O-CA 3.48Å; S35-T39 PolarHBondContact O-N 3.37Å; S35-T39 PolarHBondContact O-OG1 3.34Å; Y37-T39 PolarHBondContact O-N 2.97Å; T39-L41 VanDerWaalsContact C-N 3.29Å; T39-L41 PolarHBondContact O-N 3.21Å; T39-L42 WeakPolarHBondContact O-CB 3.37Å; T39-L42 PolarHBondContact O-N 2.92Å; T39-W43 PolarHBondContact O-N 3.22Å; T39-W43 VanDerWaalsContact O-N 3.12Å
40H96.1Very high96.9Very high35 Ų3549.5 Ų49.516%0.16231%0.309CS..Hα-helixtrans-58.5-33.4-170.260.6-88.1000114.5V36 Y37 W43 L44 V186V36-H40 WeakPolarHBondContact O-CA 3.39Å; V36-H40 VanDerWaalsContact O-CB 3.31Å; V36-H40 WeakPolarHBondContact O-CB 3.33Å; Y37-H40 PolarHBondContact O-ND1 3.4Å; Y37-H40 VanDerWaalsContact O-ND1 3.16Å; H40-W43 PolarHBondContact O-N 3.26Å; H40-L44 WeakPolarHBondContact O-CB 3.35Å; H40-L44 PolarHBondContact O-N 2.97Å; H40-V186 HydrophobicContact CB-CG2 3.66Å
41L97.3Very high96.9Very high37 Ų3743.7 Ų43.719%0.19428%0.279CS..Hα-helixtrans-64.5-41174.5-66-177.2000112.1T39 L44 Y45 L110 E111T39-L41 VanDerWaalsContact C-N 3.29Å; T39-L41 PolarHBondContact O-N 3.21Å; L41-L44 PolarHBondContact O-N 3.27Å; L41-Y45 HydrophobicContact CB-CD2 4.47Å; L41-Y45 HydrophobicContact CB-CE2 4.31Å; L41-Y45 WeakPolarHBondContact O-CB 3.34Å; L41-Y45 WeakPolarHBondContact O-CD2 3.41Å; L41-Y45 PolarHBondContact O-N 3.03Å; L41-L110 HydrophobicContact CD1-CD2 4Å; L41-L110 HydrophobicContact CD1-CG 4.39Å; L41-E111 HydrophobicContact CD2-CG 4.33Å
42L97.8Very high96.9Very high71 Ų7142.2 Ų42.237%0.37227%0.272SS..Hα-helixtrans-63.7-45.4175.8173.961.3000110.9V31 F34 T39 Y45 S46V31-L42 HydrophobicContact CB-CD2 4.39Å; V31-L42 HydrophobicContact CG1-CD2 3.93Å; V31-L42 HydrophobicContact CG2-CD2 4.3Å; F34-L42 HydrophobicContact CD2-CD2 3.93Å; F34-L42 HydrophobicContact CD2-CG 4.38Å; F34-L42 HydrophobicContact CE2-CD2 4.47Å; F34-L42 HydrophobicContact CE2-CG 4.44Å; T39-L42 WeakPolarHBondContact O-CB 3.37Å; T39-L42 PolarHBondContact O-N 2.92Å; L42-Y45 PolarHBondContact O-N 2.97Å; L42-S46 WeakPolarHBondContact O-CB 3.38Å; L42-S46 PolarHBondContact O-N 3.4Å
43W98.2Very high96.9Very high9 Ų940.6 Ų40.63%0.03426%0.26CS..Hα-helixtrans-60.2-48175.4173.469.2000111.5T24 F34 V36 T39 H40 Y45 S46 V47 L190 V193T24-W43 PolarHBondContact OG1-NE1 3.09Å; F34-W43 HydrophobicContact CE2-CB 3.89Å; F34-W43 HydrophobicContact CZ-CB 3.92Å; F34-W43 AromaticContact CZ-CD1 3.92Å; F34-W43 HydrophobicContact CZ-CG 4.26Å; V36-W43 HydrophobicContact CG1-CD2 3.79Å; V36-W43 HydrophobicContact CG1-CE3 4.08Å; V36-W43 HydrophobicContact CG1-CG 4.1Å; V36-W43 HydrophobicContact CG1-CZ2 4.45Å; V36-W43 HydrophobicContact CG2-CG 4.36Å; T39-W43 PolarHBondContact O-N 3.22Å; T39-W43 VanDerWaalsContact O-N 3.12Å; H40-W43 PolarHBondContact O-N 3.26Å; W43-Y45 PolarHBondContact O-N 3.32Å; W43-S46 WeakPolarHBondContact O-CB 3.4Å; W43-S46 PolarHBondContact O-N 2.89Å; W43-V47 HydrophobicContact CD2-CG2 4.36Å; W43-V47 HydrophobicContact CZ2-CG2 4.06Å; W43-V47 WeakPolarHBondContact O-CG2 3.43Å; W43-V47 PolarHBondContact O-N 3.3Å; W43-L190 HydrophobicContact CH2-CD2 3.58Å; W43-L190 HydrophobicContact CH2-CG 4.15Å; W43-L190 HydrophobicContact CZ2-CD2 4.02Å; W43-L190 HydrophobicContact CZ3-CD2 4.1Å; W43-L190 HydrophobicContact CZ3-CG 4.34Å; W43-V193 HydrophobicContact CH2-CB 4.37Å; W43-V193 HydrophobicContact CH2-CG2 3.93Å; W43-V193 HydrophobicContact CZ2-CG2 4.27Å
44L98.3Very high96.9Very high1 Ų138.2 Ų38.21%0.00523%0.231CC..Hα-helixtrans-56.9-50.3178.4-179.2159.3000111.3H40 L41 S46 V47 A48 S114 L118H40-L44 WeakPolarHBondContact O-CB 3.35Å; H40-L44 PolarHBondContact O-N 2.97Å; L41-L44 PolarHBondContact O-N 3.27Å; L44-S46 VanDerWaalsContact C-N 3.3Å; L44-S46 PolarHBondContact O-N 3.2Å; L44-V47 PolarHBondContact O-N 3.18Å; L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 3.4Å; L44-S114 WeakPolarHBondContact CD2-O 3.44Å; L44-L118 HydrophobicContact CD1-CB 4.16Å; L44-L118 HydrophobicContact CD1-CD2 4.22Å; L44-L118 HydrophobicContact CD2-CB 3.98Å; L44-L118 HydrophobicContact CG-CB 3.91Å; L44-L118 HydrophobicContact CG-CD1 4.41Å; L44-L118 HydrophobicContact CG-CD2 4.09Å; L44-L118 HydrophobicContact CG-CG 4.35Å
45Y98.4Very high96.7Very high97 Ų9737 Ų3738%0.3823%0.225SC..Hα-helixtrans-66.8-33.1179.2-71-51.4000112.4L41 L42 W43 G49 S114L41-Y45 HydrophobicContact CB-CD2 4.47Å; L41-Y45 HydrophobicContact CB-CE2 4.31Å; L41-Y45 WeakPolarHBondContact O-CB 3.34Å; L41-Y45 WeakPolarHBondContact O-CD2 3.41Å; L41-Y45 PolarHBondContact O-N 3.03Å; L42-Y45 PolarHBondContact O-N 2.97Å; W43-Y45 PolarHBondContact O-N 3.32Å; Y45-G49 PolarHBondContact O-N 3.3Å; Y45-S114 PolarHBondContact OH-OG 2.91Å
46S98.3Very high96.5Very high32 Ų3238 Ų3822%0.22423%0.227CC..Hα-helixtrans-62.1-47172.3-165.80000111.2A23 P27 L42 W43 L44 G49 A50A23-S46 WeakPolarHBondContact O-CB 3.33Å; A23-S46 PolarHBondContact O-OG 3.5Å; P27-S46 WeakPolarHBondContact CG-OG 3.44Å; L42-S46 WeakPolarHBondContact O-CB 3.38Å; L42-S46 PolarHBondContact O-N 3.4Å; W43-S46 WeakPolarHBondContact O-CB 3.4Å; W43-S46 PolarHBondContact O-N 2.89Å; L44-S46 VanDerWaalsContact C-N 3.3Å; L44-S46 PolarHBondContact O-N 3.2Å; S46-G49 PolarHBondContact O-N 3Å; S46-A50 VanDerWaalsContact O-CB 3.29Å; S46-A50 WeakPolarHBondContact O-CB 3.22Å; S46-A50 PolarHBondContact O-N 2.93Å
47V98.5Very high96.3Very high0 Ų039.5 Ų39.50%024%0.236CC..Hα-helixtrans-64.2-49177.71750000111.2V20 A23 W43 L44 G49 A50 V51 L118 V193V20-V47 HydrophobicContact CG1-CG1 4.39Å; A23-V47 HydrophobicContact CB-CB 4.36Å; A23-V47 HydrophobicContact CB-CG2 3.91Å; W43-V47 HydrophobicContact CD2-CG2 4.36Å; W43-V47 HydrophobicContact CZ2-CG2 4.06Å; W43-V47 WeakPolarHBondContact O-CG2 3.43Å; W43-V47 PolarHBondContact O-N 3.3Å; L44-V47 PolarHBondContact O-N 3.18Å; V47-G49 VanDerWaalsContact C-N 3.33Å; V47-G49 PolarHBondContact O-N 3.45Å; V47-A50 PolarHBondContact O-N 3.49Å; V47-V51 HydrophobicContact CG1-CG2 4.31Å; V47-V51 WeakPolarHBondContact O-CB 3.32Å; V47-V51 VanDerWaalsContact O-CG2 3.27Å; V47-V51 WeakPolarHBondContact O-CG2 3.03Å; V47-V51 PolarHBondContact O-N 2.92Å; V47-L118 HydrophobicContact CB-CD1 4.31Å; V47-L118 HydrophobicContact CG1-CD1 3.96Å; V47-V193 HydrophobicContact CG1-CG2 3.88Å
48A98.4Very high95.9Very high5 Ų535.8 Ų35.84%0.04122%0.222CC..Hα-helixtrans-58.1-45.517800000111.5L44 A52 V117 L118L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 3.4Å; A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.33Å; A48-A52 PolarHBondContact O-N 3.24Å; A48-V117 HydrophobicContact CB-CG1 4.49Å; A48-L118 HydrophobicContact CB-CD1 4.28Å
49G98Very high95.5Very high35 Ų3534.6 Ų34.636%0.36120%0.2SC..Hα-helixtrans-63.5-45.9176.800000113Y45 S46 V47 A52 V53Y45-G49 PolarHBondContact O-N 3.3Å; S46-G49 PolarHBondContact O-N 3Å; V47-G49 VanDerWaalsContact C-N 3.33Å; V47-G49 PolarHBondContact O-N 3.45Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 2.91Å; G49-A52 VanDerWaalsContact O-N 3.16Å; G49-V53 WeakPolarHBondContact O-CG2 3.34Å; G49-V53 PolarHBondContact O-N 3.48Å
50A97.7Very high94.7Very high22 Ų2240.8 Ų40.818%0.18222%0.218CC..Hα-helixtrans-63.8-45.6178.300000111.9A23 S46 V47 A52 V53 V54A23-A50 HydrophobicContact CB-CB 3.6Å; S46-A50 VanDerWaalsContact O-CB 3.29Å; S46-A50 WeakPolarHBondContact O-CB 3.22Å; S46-A50 PolarHBondContact O-N 2.93Å; V47-A50 PolarHBondContact O-N 3.49Å; A50-A52 PolarHBondContact O-N 2.77Å; A50-V53 PolarHBondContact O-N 3.1Å; A50-V54 WeakPolarHBondContact O-CB 3.47Å; A50-V54 VanDerWaalsContact O-CG2 3.28Å; A50-V54 WeakPolarHBondContact O-CG2 3.47Å; A50-V54 PolarHBondContact O-N 3.39Å
51V96.9Very high93.8Very high3 Ų345.9 Ų45.92%0.01825%0.245CC..Hα-helixtrans-58.9-40.1173.8170.60000109.9V20 V47 N55 S121 L122 Y196V20-V51 HydrophobicContact CG2-CG2 3.67Å; V47-V51 HydrophobicContact CG1-CG2 4.31Å; V47-V51 WeakPolarHBondContact O-CB 3.32Å; V47-V51 VanDerWaalsContact O-CG2 3.27Å; V47-V51 WeakPolarHBondContact O-CG2 3.03Å; V47-V51 PolarHBondContact O-N 2.92Å; V51-N55 WeakPolarHBondContact CG1-ND2 3.36Å; V51-N55 WeakPolarHBondContact O-CB 3.22Å; V51-N55 PolarHBondContact O-N 3.24Å; V51-N55 PolarHBondContact O-ND2 3.48Å; V51-S121 WeakPolarHBondContact CG1-O 3.48Å; V51-L122 HydrophobicContact CG1-CD2 4.26Å; V51-L122 HydrophobicContact CG2-CD2 3.86Å; V51-Y196 HydrophobicContact CG2-CE1 4.46Å
52A96.6Very high92.3Very high25 Ų2547.7 Ų47.721%0.20726%0.255CS..Hα-helixtrans-63.9-51.7178.400000113.1A48 G49 A50 V54 N55 I56 L125A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.33Å; A48-A52 PolarHBondContact O-N 3.24Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 2.91Å; G49-A52 VanDerWaalsContact O-N 3.16Å; A50-A52 PolarHBondContact O-N 2.77Å; A52-V54 VanDerWaalsContact C-N 3.34Å; A52-V54 PolarHBondContact O-N 2.85Å; A52-N55 PolarHBondContact O-N 2.93Å; A52-I56 WeakPolarHBondContact O-CB 3.09Å; A52-I56 WeakPolarHBondContact O-CD1 3.36Å; A52-I56 WeakPolarHBondContact O-CG1 3.5Å; A52-I56 PolarHBondContact O-N 3.46Å; A52-L125 HydrophobicContact CB-CD2 3.71Å
53V96.3Very high90.5Very high93 Ų9346.6 Ų46.656%0.56426%0.261SS*.Hα-helixtrans-58.7-46177.3171.10000110.9G49 A50 T57G49-V53 WeakPolarHBondContact O-CG2 3.34Å; G49-V53 PolarHBondContact O-N 3.48Å; A50-V53 PolarHBondContact O-N 3.1Å; V53-T57 HydrophobicContact CG1-CG2 4.3Å; V53-T57 WeakPolarHBondContact O-CB 3.31Å; V53-T57 WeakPolarHBondContact O-CG2 3.21Å; V53-T57 PolarHBondContact O-N 3.5Å; V53-T57 PolarHBondContact O-OG1 2.91Å
54V95.1Very high88.4Confident21 Ų2148.4 Ų48.413%0.12727%0.272CS..Hα-helixtrans-67.1-44.2-178.3173.80000111.7I15 M16 A50 A52 I56 T57 L58I15-V54 HydrophobicContact CG2-CG1 3.86Å; M16-V54 HydrophobicContact CB-CG1 4.45Å; M16-V54 HydrophobicContact CG-CG1 3.87Å; A50-V54 WeakPolarHBondContact O-CB 3.47Å; A50-V54 VanDerWaalsContact O-CG2 3.28Å; A50-V54 WeakPolarHBondContact O-CG2 3.47Å; A50-V54 PolarHBondContact O-N 3.39Å; A52-V54 VanDerWaalsContact C-N 3.34Å; A52-V54 PolarHBondContact O-N 2.85Å; V54-I56 PolarHBondContact O-N 3.41Å; V54-T57 WeakPolarHBondContact CA-OG1 3.2Å; V54-T57 PolarHBondContact O-N 3.33Å; V54-T57 PolarHBondContact O-OG1 3.45Å; V54-L58 HydrophobicContact CG1-CD1 3.66Å; V54-L58 HydrophobicContact CG1-CG 4.16Å; V54-L58 VanDerWaalsContact O-CB 3.3Å; V54-L58 WeakPolarHBondContact O-CB 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.35Å; V54-L58 PolarHBondContact O-N 3.4Å
55N93Very high86.3Confident6 Ų650 Ų503%0.03228%0.284CS..Hα-helixtrans-67.7-38.2179.4-80.5-88.9000112.1M16 V51 A52 F59 L125 R126M16-N55 VanDerWaalsContact CE-OD1 3.27Å; M16-N55 WeakPolarHBondContact CE-OD1 3.49Å; V51-N55 WeakPolarHBondContact CG1-ND2 3.36Å; V51-N55 WeakPolarHBondContact O-CB 3.22Å; V51-N55 PolarHBondContact O-N 3.24Å; V51-N55 PolarHBondContact O-ND2 3.48Å; A52-N55 PolarHBondContact O-N 2.93Å; N55-F59 WeakPolarHBondContact O-CB 3.27Å; N55-F59 PolarHBondContact O-N 3.27Å; N55-L125 HydrophobicContact CB-CD2 4.26Å; N55-R126 WeakPolarHBondContact OD1-CG 3.39Å
56I92.3Very high83.8Confident72 Ų7248.7 Ų48.737%0.36929%0.289SS..Hα-helixtrans-66.8-45.3176.1-68167.7000110.4A52 V54 F59 W60A52-I56 WeakPolarHBondContact O-CB 3.09Å; A52-I56 WeakPolarHBondContact O-CD1 3.36Å; A52-I56 WeakPolarHBondContact O-CG1 3.5Å; A52-I56 PolarHBondContact O-N 3.46Å; V54-I56 PolarHBondContact O-N 3.41Å; I56-F59 WeakPolarHBondContact O-CB 3.48Å; I56-F59 PolarHBondContact O-N 2.86Å; I56-W60 PolarHBondContact O-N 2.86Å
57T90.7Very high81.4Confident62 Ų6253 Ų5338%0.3832%0.316SS..Hα-helixtrans-64.7-45.8178.450.60000111.7V53 V54 F59 W60 L61V53-T57 HydrophobicContact CG1-CG2 4.3Å; V53-T57 WeakPolarHBondContact O-CB 3.31Å; V53-T57 WeakPolarHBondContact O-CG2 3.21Å; V53-T57 PolarHBondContact O-N 3.5Å; V53-T57 PolarHBondContact O-OG1 2.91Å; V54-T57 WeakPolarHBondContact CA-OG1 3.2Å; V54-T57 PolarHBondContact O-N 3.33Å; V54-T57 PolarHBondContact O-OG1 3.45Å; T57-F59 VanDerWaalsContact C-N 3.28Å; T57-F59 PolarHBondContact O-N 3.4Å; T57-W60 PolarHBondContact O-N 2.84Å; T57-L61 WeakPolarHBondContact O-CB 3.32Å; T57-L61 VanDerWaalsContact O-CG 3.27Å; T57-L61 WeakPolarHBondContact O-CG 3.47Å; T57-L61 PolarHBondContact O-N 3.45Å
58L87.6Confident79.1Confident16 Ų1656.3 Ų56.38%0.08434%0.337CS..Hα-helixtrans-60.3-39.2174.5-71.4174.4000111.6I15 M16 V54 L61 L62I15-L58 HydrophobicContact CD1-CD2 4Å; I15-L58 HydrophobicContact CG2-CD1 4.41Å; I15-L58 HydrophobicContact CG2-CD2 4.35Å; M16-L58 HydrophobicContact CE-CD1 3.48Å; M16-L58 VanDerWaalsContact CE-CD1 3.48Å; M16-L58 HydrophobicContact CG-CD1 3.82Å; V54-L58 HydrophobicContact CG1-CD1 3.66Å; V54-L58 HydrophobicContact CG1-CG 4.16Å; V54-L58 VanDerWaalsContact O-CB 3.3Å; V54-L58 WeakPolarHBondContact O-CB 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.35Å; V54-L58 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 3Å; L58-L62 HydrophobicContact CB-CD1 4.19Å; L58-L62 HydrophobicContact CD2-CD1 3.99Å; L58-L62 WeakPolarHBondContact O-CB 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.29Å
59F83.3Confident76.8Confident38 Ų3866.3 Ų66.317%0.16738%0.379CS..Hα-helixtrans-58.8-48.9173.8167.6-100.3000112.6N55 I56 T57 G63 S65 C129N55-F59 WeakPolarHBondContact O-CB 3.27Å; N55-F59 PolarHBondContact O-N 3.27Å; I56-F59 WeakPolarHBondContact O-CB 3.48Å; I56-F59 PolarHBondContact O-N 2.86Å; T57-F59 VanDerWaalsContact C-N 3.28Å; T57-F59 PolarHBondContact O-N 3.4Å; F59-G63 PolarHBondContact O-N 3.2Å; F59-S65 WeakPolarHBondContact CE2-OG 3.4Å; F59-S65 WeakPolarHBondContact CZ-OG 3.4Å; F59-C129 HydrophobicContact CB-CB 4.02Å; F59-C129 HydrophobicContact CD2-CB 4.27Å; F59-C129 WeakPolarHBondContact CD2-O 3.44Å; F59-C129 WeakPolarHBondContact CE2-O 3.42Å; F59-C129 HydrophobicContact CG-CB 4.31Å
60W80.5Confident74.7Confident177 Ų17772.3 Ų72.367%0.6740%0.395SS*.Hα-helixtrans-66.3-40.4179.7-80.2108.7000112.4I56 T57I56-W60 PolarHBondContact O-N 2.86Å; T57-W60 PolarHBondContact O-N 2.84Å
61L77.7Confident73.1Confident142 Ų14278.7 Ų78.774%0.74342%0.421SS*.Hα-helixtrans-79-42.5-175.6-69.4171.6000113.1T57 L58 G63T57-L61 WeakPolarHBondContact O-CB 3.32Å; T57-L61 VanDerWaalsContact O-CG 3.27Å; T57-L61 WeakPolarHBondContact O-CG 3.47Å; T57-L61 PolarHBondContact O-N 3.45Å; L58-L61 PolarHBondContact O-N 3Å; L61-G63 VanDerWaalsContact C-N 3.33Å
62L65.3Low72.3Confident75 Ų7582.4 Ų82.439%0.39344%0.444SS..Hα-helixtrans-85.4-7.2-175-62.8173.2000113.1S12 L58 V64S12-L62 WeakPolarHBondContact OG-CD1 3.46Å; L58-L62 HydrophobicContact CB-CD1 4.19Å; L58-L62 HydrophobicContact CD2-CD1 3.99Å; L58-L62 WeakPolarHBondContact O-CB 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.29Å; L62-V64 HydrophobicContact CB-CG2 3.79Å; L62-V64 PolarHBondContact O-N 2.82Å
63G60.1Low71.8Confident48 Ų4887.6 Ų87.650%0.49547%0.467SS..  trans5531.9173.300000113.4F59 L61 S65F59-G63 PolarHBondContact O-N 3.2Å; L61-G63 VanDerWaalsContact C-N 3.33Å; G63-S65 CarbonylContact O-C 3.6Å; G63-S65 PolarHBondContact O-N 3.38Å
64V54.4Low71.3Confident46 Ų4688.2 Ų88.228%0.27947%0.471SS..  trans-61.4-11.1-174.6-177.80000112.2L62 V130L62-V64 HydrophobicContact CB-CG2 3.79Å; L62-V64 PolarHBondContact O-N 2.82Å; V64-V130 HydrophobicContact CG1-CG1 4.07Å
65S52.8Low70.9Confident35 Ų3592.1 Ų92.125%0.24548%0.484CS..SBendtrans-80.9129.9165.2-61.10000111.9F59 G63 R79F59-S65 WeakPolarHBondContact CE2-OG 3.4Å; F59-S65 WeakPolarHBondContact CZ-OG 3.4Å; G63-S65 CarbonylContact O-C 3.6Å; G63-S65 PolarHBondContact O-N 3.38Å; S65-R79 PolarHBondContact OG-NH1 3.05Å; S65-R79 PolarHBondContact OG-NH2 3.47Å
66S45.7Very low70.5Confident70 Ų7097.1 Ų97.149%0.4951%0.505SS..  trans-47.7136.6163.2-75.40000110.5T68S66-T68 PolarHBondContact O-N 2.75Å
67P48.2Very low70.3Confident122 Ų12297.4 Ų97.479%0.79251%0.511SS*.  trans-62.998.5174.324.2-30.9000108.7K69P67-K69 PolarHBondContact O-N 2.9Å
68T51.1Low70.3Confident70 Ų7096.9 Ų96.943%0.42951%0.509SS..  trans-73.6123.8174.538.90000109.1S66 K70S66-T68 PolarHBondContact O-N 2.75Å; T68-K70 PolarHBondContact O-N 2.94Å
69K50.7Low70.4Confident214 Ų21498.5 Ų98.593%0.9351%0.514SS*.SBendtrans-53.79.8-175.2-79.9-178.5172.41800117.8P67P67-K69 PolarHBondContact O-N 2.9Å
70K52.6Low70.8Confident161 Ų161102 Ų10270%0.753%0.534SS*.  trans-135.698.3-178.5-65.8-172.5179-176.70111.6T68 T72T68-K70 PolarHBondContact O-N 2.94Å; K70-T72 VanDerWaalsContact C-N 3.27Å; K70-T72 PolarHBondContact O-N 2.9Å
71H63.7Low71.5Confident156 Ų15697.3 Ų97.372%0.72253%0.525SS*.  trans-84.227.6-179-82.5-93.5000114.5
72T81.9Confident72.3Confident82 Ų8297.1 Ų97.150%0.50351%0.514SS..  trans-73.5137.2-179.5-42.90000110.8K70 T74 Y75 K76K70-T72 VanDerWaalsContact C-N 3.27Å; K70-T72 PolarHBondContact O-N 2.9Å; T72-T74 PolarHBondContact O-N 3.49Å; T72-T74 VanDerWaalsContact O-N 3.16Å; T72-Y75 WeakPolarHBondContact O-CB 3.36Å; T72-Y75 PolarHBondContact O-N 3.36Å; T72-K76 PolarHBondContact O-N 3.23Å
73I84.8Confident73.7Confident133 Ų13394.3 Ų94.368%0.68250%0.501SS*.Hα-helixtrans-50.5-40.4176.3-68171.7000111.2Y75 K76 V77I73-Y75 VanDerWaalsContact C-N 3.28Å; I73-Y75 PolarHBondContact O-N 3.05Å; I73-K76 PolarHBondContact O-N 2.76Å; I73-K76 VanDerWaalsContact O-N 3.09Å; I73-V77 HydrophobicContact CG2-CG2 4.09Å; I73-V77 WeakPolarHBondContact O-CG2 3.32Å; I73-V77 PolarHBondContact O-N 3.17Å
74T86.9Confident75.4Confident107 Ų10795.3 Ų95.366%0.65650%0.5SS*.Hα-helixtrans-53.9-40.4176.7-45.80000113.2T72 S78T72-T74 PolarHBondContact O-N 3.49Å; T72-T74 VanDerWaalsContact O-N 3.16Å; T74-S78 VanDerWaalsContact O-CB 3.28Å; T74-S78 WeakPolarHBondContact O-CB 3.48Å; T74-S78 PolarHBondContact O-N 2.92Å
75Y84.8Confident77.5Confident103 Ų10397.5 Ų97.540%0.40451%0.509SS..Hα-helixtrans-68.5-43.2178.1173.5-98.9000111.5T72 I73 S78 R79T72-Y75 WeakPolarHBondContact O-CB 3.36Å; T72-Y75 PolarHBondContact O-N 3.36Å; I73-Y75 VanDerWaalsContact C-N 3.28Å; I73-Y75 PolarHBondContact O-N 3.05Å; Y75-S78 PolarHBondContact O-N 3.31Å; Y75-R79 WeakPolarHBondContact O-CB 3.38Å; Y75-R79 PolarHBondContact O-N 2.86Å
76K85.2Confident79.6Confident110 Ų11098.7 Ų98.748%0.47851%0.509SS..Hα-helixtrans-61.7-45.9177.3-67.2-175.9177.7-178.70111.3T72 I73 R79 L80T72-K76 PolarHBondContact O-N 3.23Å; I73-K76 PolarHBondContact O-N 2.76Å; I73-K76 VanDerWaalsContact O-N 3.09Å; K76-R79 PolarHBondContact O-N 3.19Å; K76-L80 WeakPolarHBondContact O-CB 3.2Å; K76-L80 PolarHBondContact O-N 3.45Å
77V89.3Confident82.1Confident79 Ų7997.5 Ų97.548%0.47950%0.496SS..Hα-helixtrans-62.3-47176.7174.30000110.6I73 R79 L80 V81I73-V77 HydrophobicContact CG2-CG2 4.09Å; I73-V77 WeakPolarHBondContact O-CG2 3.32Å; I73-V77 PolarHBondContact O-N 3.17Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.44Å; V77-L80 WeakPolarHBondContact O-CB 3.33Å; V77-L80 PolarHBondContact O-N 3.4Å; V77-L80 VanDerWaalsContact O-N 3.17Å; V77-V81 HydrophobicContact CG1-CG2 4.37Å; V77-V81 WeakPolarHBondContact O-CG2 3.41Å; V77-V81 PolarHBondContact O-N 3.43Å
78S90.2Very high84.5Confident50 Ų5096.2 Ų96.235%0.3548%0.483SS..Hα-helixtrans-59.8-43.3177.8-174.10000112.3T74 Y75 V81 R82T74-S78 VanDerWaalsContact O-CB 3.28Å; T74-S78 WeakPolarHBondContact O-CB 3.48Å; T74-S78 PolarHBondContact O-N 2.92Å; Y75-S78 PolarHBondContact O-N 3.31Å; S78-V81 PolarHBondContact O-N 3.45Å; S78-R82 WeakPolarHBondContact O-CG 3.33Å; S78-R82 PolarHBondContact O-N 3.03Å
79R89.5Confident86.7Confident50 Ų5097.9 Ų97.919%0.18949%0.488CS..Hα-helixtrans-62-43.2175.5-178.7179.3170163.93111.5S65 Y75 K76 V77 S83 P133S65-R79 PolarHBondContact OG-NH1 3.05Å; S65-R79 PolarHBondContact OG-NH2 3.47Å; Y75-R79 WeakPolarHBondContact O-CB 3.38Å; Y75-R79 PolarHBondContact O-N 2.86Å; K76-R79 PolarHBondContact O-N 3.19Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.44Å; R79-S83 WeakPolarHBondContact O-CB 3.47Å; R79-S83 PolarHBondContact O-N 3.15Å; R79-S83 PolarHBondContact O-OG 3.44Å; R79-P133 HydrophobicContact CG-CG 4.11Å
80L90.9Very high89Confident111 Ų11188.2 Ų88.258%0.58145%0.447SS*.Hα-helixtrans-61.9-49.7177.5178.862.3000111.2K76 V77 R82 S83 C84K76-L80 WeakPolarHBondContact O-CB 3.2Å; K76-L80 PolarHBondContact O-N 3.45Å; V77-L80 WeakPolarHBondContact O-CB 3.33Å; V77-L80 PolarHBondContact O-N 3.4Å; V77-L80 VanDerWaalsContact O-N 3.17Å; L80-R82 PolarHBondContact O-N 3.33Å; L80-S83 WeakPolarHBondContact O-CB 3.29Å; L80-S83 PolarHBondContact O-N 2.95Å; L80-S83 VanDerWaalsContact O-N 3.09Å; L80-C84 PolarHBondContact O-N 3.43Å; L80-C84 PolarHBondContact O-SG 3.17Å; L80-C84 VanDerWaalsContact O-SG 3.36Å
81V95Very high91.2Very high79 Ų7981.2 Ų81.248%0.47942%0.419SS..Hα-helixtrans-57.4-48178.5171.60000111V77 S78 S83 C84 L85V77-V81 HydrophobicContact CG1-CG2 4.37Å; V77-V81 WeakPolarHBondContact O-CG2 3.41Å; V77-V81 PolarHBondContact O-N 3.43Å; S78-V81 PolarHBondContact O-N 3.45Å; V81-S83 VanDerWaalsContact C-N 3.29Å; V81-S83 PolarHBondContact O-N 3.38Å; V81-C84 PolarHBondContact O-N 2.88Å; V81-L85 HydrophobicContact CG1-CD1 4.18Å; V81-L85 WeakPolarHBondContact O-CG 3.31Å; V81-L85 PolarHBondContact O-N 2.89Å
82R95.3Very high92.8Very high139 Ų13977.8 Ų77.853%0.52541%0.405SS..Hα-helixtrans-61.3-38.4176.8-70.6177-178.3-156.5-0.1112.6S78 L80 L85 Y86 P133S78-R82 WeakPolarHBondContact O-CG 3.33Å; S78-R82 PolarHBondContact O-N 3.03Å; L80-R82 PolarHBondContact O-N 3.33Å; R82-L85 PolarHBondContact O-N 3.3Å; R82-Y86 WeakPolarHBondContact O-CD1 3.37Å; R82-Y86 PolarHBondContact O-N 3.42Å; R82-P133 HydrophobicContact CB-CB 3.84Å; R82-P133 HydrophobicContact CB-CG 3.89Å
83S94.9Very high93.6Very high16 Ų1679.9 Ų79.911%0.11241%0.408CS..Hα-helixtrans-62.9-48.3176.6-60.40000110.9R79 L80 V81 L85 Y86 L87 V128R79-S83 WeakPolarHBondContact O-CB 3.47Å; R79-S83 PolarHBondContact O-N 3.15Å; R79-S83 PolarHBondContact O-OG 3.44Å; L80-S83 WeakPolarHBondContact O-CB 3.29Å; L80-S83 PolarHBondContact O-N 2.95Å; L80-S83 VanDerWaalsContact O-N 3.09Å; V81-S83 VanDerWaalsContact C-N 3.29Å; V81-S83 PolarHBondContact O-N 3.38Å; S83-L85 VanDerWaalsContact C-N 3.33Å; S83-L85 PolarHBondContact O-N 2.98Å; S83-Y86 PolarHBondContact O-N 2.92Å; S83-L87 WeakPolarHBondContact O-CG 3.21Å; S83-L87 PolarHBondContact O-N 3.42Å; S83-V128 VanDerWaalsContact CB-CG1 3.5Å; S83-V128 WeakPolarHBondContact OG-CG1 3.41Å
84C96.4Very high94.2Very high69 Ų6974.6 Ų74.647%0.46638%0.38SS..Hα-helixtrans-60.3-42.3176.1-64.10000112.1L80 V81 Y86 L87 L88L80-C84 PolarHBondContact O-N 3.43Å; L80-C84 PolarHBondContact O-SG 3.17Å; L80-C84 VanDerWaalsContact O-SG 3.36Å; V81-C84 PolarHBondContact O-N 2.88Å; C84-Y86 VanDerWaalsContact C-N 3.34Å; C84-Y86 PolarHBondContact O-N 3.36Å; C84-L87 PolarHBondContact O-N 3.31Å; C84-L88 WeakPolarHBondContact O-CB 3.48Å; C84-L88 PolarHBondContact O-N 2.97Å
85L97.7Very high94.7Very high92 Ų9271.2 Ų71.248%0.48236%0.356SS..Hα-helixtrans-60.6-42175.5-70.8173.8000111.9V81 R82 S83 L88 L89V81-L85 HydrophobicContact CG1-CD1 4.18Å; V81-L85 WeakPolarHBondContact O-CG 3.31Å; V81-L85 PolarHBondContact O-N 2.89Å; R82-L85 PolarHBondContact O-N 3.3Å; S83-L85 VanDerWaalsContact C-N 3.33Å; S83-L85 PolarHBondContact O-N 2.98Å; L85-L88 PolarHBondContact O-N 3.24Å; L85-L89 WeakPolarHBondContact O-CB 3.31Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.12Å; L85-L89 PolarHBondContact O-N 2.85Å
86Y97.4Very high95.3Very high60 Ų6069.9 Ų69.924%0.23536%0.359CS..Hα-helixtrans-68.4-36.5178.9-74.710.8000112.3R82 S83 C84 S90 P133 V135 W138R82-Y86 WeakPolarHBondContact O-CD1 3.37Å; R82-Y86 PolarHBondContact O-N 3.42Å; S83-Y86 PolarHBondContact O-N 2.92Å; C84-Y86 VanDerWaalsContact C-N 3.34Å; C84-Y86 PolarHBondContact O-N 3.36Å; Y86-S90 VanDerWaalsContact O-CB 3.27Å; Y86-S90 WeakPolarHBondContact O-CB 3.31Å; Y86-S90 PolarHBondContact O-N 2.86Å; Y86-P133 HydrophobicContact CD2-CB 3.72Å; Y86-P133 VanDerWaalsContact CE2-CA 3.46Å; Y86-P133 HydrophobicContact CE2-CB 3.59Å; Y86-P133 HydrophobicContact CG-CB 4.46Å; Y86-V135 HydrophobicContact CE2-CG2 3.89Å; Y86-V135 WeakPolarHBondContact OH-CG2 3.38Å; Y86-W138 AromaticContact CD2-CH2 3.83Å; Y86-W138 HydrophobicContact CD2-CH2 3.83Å; Y86-W138 AromaticContact CD2-CZ2 3.97Å; Y86-W138 HydrophobicContact CD2-CZ2 3.97Å; Y86-W138 HydrophobicContact CD2-CZ3 4.47Å
87L97.8Very high95.8Very high44 Ų4466.7 Ų66.723%0.2335%0.349CS..Hα-helixtrans-65.1-44.5173.1-64.6175000111.2S83 C84 S90 C91 T120 T124 L125 V128S83-L87 WeakPolarHBondContact O-CG 3.21Å; S83-L87 PolarHBondContact O-N 3.42Å; C84-L87 PolarHBondContact O-N 3.31Å; L87-S90 WeakPolarHBondContact O-CB 3.31Å; L87-S90 PolarHBondContact O-N 2.87Å; L87-C91 PolarHBondContact O-N 3.3Å; L87-C91 PolarHBondContact O-SG 2.92Å; L87-C91 VanDerWaalsContact O-SG 3.4Å; L87-T120 HydrophobicContact CB-CG2 4.29Å; L87-T120 HydrophobicContact CD2-CG2 3.88Å; L87-T124 HydrophobicContact CD2-CG2 4.18Å; L87-L125 HydrophobicContact CD1-CD1 3.88Å; L87-L125 HydrophobicContact CD2-CB 3.93Å; L87-L125 HydrophobicContact CD2-CD1 4.04Å; L87-V128 HydrophobicContact CD2-CG2 4.31Å
88L98.3Very high96.1Very high96 Ų9663.9 Ų63.950%0.50333%0.332SS..Hα-helixtrans-60.3-49.4176.6-178.565.7000111.3C84 L85 S90 C91 L92C84-L88 WeakPolarHBondContact O-CB 3.48Å; C84-L88 PolarHBondContact O-N 2.97Å; L85-L88 PolarHBondContact O-N 3.24Å; L88-S90 VanDerWaalsContact C-N 3.26Å; L88-S90 PolarHBondContact O-N 3.45Å; L88-C91 PolarHBondContact O-N 3.34Å; L88-C91 VanDerWaalsContact O-N 3.17Å; L88-L92 HydrophobicContact CG-CD1 4.47Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.37Å
89L98.3Very high96.4Very high105 Ų10563.3 Ų63.355%0.5532%0.324SS..Hα-helixtrans-60.5-36.8177.1-70.8173.5000111.9L85 L92 F93L85-L89 WeakPolarHBondContact O-CB 3.31Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.12Å; L85-L89 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3.03Å; L89-F93 VanDerWaalsContact O-CB 3.29Å; L89-F93 WeakPolarHBondContact O-CB 3.22Å; L89-F93 PolarHBondContact O-N 3.25Å
90S98.2Very high96.6Very high10 Ų1067.5 Ų67.57%0.0735%0.35CS..Hα-helixtrans-65.2-43.3174.1173.50000112.5Y86 L87 L88 L92 F93 F94 T120 T124Y86-S90 VanDerWaalsContact O-CB 3.27Å; Y86-S90 WeakPolarHBondContact O-CB 3.31Å; Y86-S90 PolarHBondContact O-N 2.86Å; L87-S90 WeakPolarHBondContact O-CB 3.31Å; L87-S90 PolarHBondContact O-N 2.87Å; L88-S90 VanDerWaalsContact C-N 3.26Å; L88-S90 PolarHBondContact O-N 3.45Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.45Å; S90-F93 PolarHBondContact O-N 3.46Å; S90-F94 WeakPolarHBondContact O-CD2 3.46Å; S90-F94 PolarHBondContact O-N 3.49Å; S90-T120 WeakPolarHBondContact OG-CG2 3.24Å; S90-T120 PolarHBondContact OG-OG1 3.23Å; S90-T124 WeakPolarHBondContact CB-OG1 3.28Å; S90-T124 WeakPolarHBondContact OG-CB 3.3Å; S90-T124 PolarHBondContact OG-OG1 3.11Å
91C98.3Very high96.6Very high14 Ų1470.8 Ų70.810%0.09536%0.356CS..Hα-helixtrans-59.5-46.5174.9-68.70000110.8L87 L88 F93 F94 H95 F113 A116 T120L87-C91 PolarHBondContact O-N 3.3Å; L87-C91 PolarHBondContact O-SG 2.92Å; L87-C91 VanDerWaalsContact O-SG 3.4Å; L88-C91 PolarHBondContact O-N 3.34Å; L88-C91 VanDerWaalsContact O-N 3.17Å; C91-F93 VanDerWaalsContact C-N 3.35Å; C91-F93 PolarHBondContact O-N 2.99Å; C91-F94 PolarHBondContact O-N 3.35Å; C91-H95 VanDerWaalsContact O-CB 3.24Å; C91-H95 WeakPolarHBondContact O-CB 3.38Å; C91-H95 PolarHBondContact O-N 2.98Å; C91-F113 HydrophobicContact CB-CE2 4.12Å; C91-F113 HydrophobicContact CB-CZ 4.22Å; C91-A116 WeakPolarHBondContact O-CB 3.39Å; C91-T120 WeakPolarHBondContact CA-OG1 3.37Å; C91-T120 PolarHBondContact N-OG1 2.9Å; C91-T120 PolarHBondContact SG-OG1 3.42Å
92L98.1Very high96.4Very high84 Ų8470.2 Ų70.244%0.4437%0.366SS..Hα-helixtrans-62.8-42178-64.4176.7000111.8L88 L89 S90 T96L88-L92 HydrophobicContact CG-CD1 4.47Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.37Å; L89-L92 PolarHBondContact O-N 3.03Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.45Å; L92-T96 WeakPolarHBondContact O-CB 3.34Å; L92-T96 PolarHBondContact O-N 3.14Å; L92-T96 PolarHBondContact O-OG1 2.91Å
93F97.8Very high96.2Very high127 Ų12764.2 Ų64.256%0.55735%0.346SS*.Hα-helixtrans-59.7-54.1175.3173.2-99000111.8L89 S90 C91 H95 T96 V97L89-F93 VanDerWaalsContact O-CB 3.29Å; L89-F93 WeakPolarHBondContact O-CB 3.22Å; L89-F93 PolarHBondContact O-N 3.25Å; S90-F93 PolarHBondContact O-N 3.46Å; C91-F93 VanDerWaalsContact C-N 3.35Å; C91-F93 PolarHBondContact O-N 2.99Å; F93-H95 VanDerWaalsContact C-N 3.34Å; F93-H95 PolarHBondContact O-N 3.41Å; F93-T96 PolarHBondContact O-N 3.4Å; F93-V97 HydrophobicContact CD1-CG2 4.37Å; F93-V97 HydrophobicContact CD2-CG2 4.25Å; F93-V97 HydrophobicContact CE1-CG2 3.96Å; F93-V97 HydrophobicContact CE2-CG2 3.83Å; F93-V97 HydrophobicContact CZ-CG2 3.67Å; F93-V97 WeakPolarHBondContact O-CG2 3.41Å; F93-V97 PolarHBondContact O-N 3.38Å
94F98.2Very high95.5Very high22 Ų2265.9 Ų65.910%0.09636%0.357CS..Hα-helixtrans-62.5-41.3179.4-82-62.8000112.1S90 C91 T96 V97 V98 A116 L119 T123 V163S90-F94 WeakPolarHBondContact O-CD2 3.46Å; S90-F94 PolarHBondContact O-N 3.49Å; C91-F94 PolarHBondContact O-N 3.35Å; F94-T96 VanDerWaalsContact C-N 3.31Å; F94-T96 PolarHBondContact O-N 2.69Å; F94-V97 PolarHBondContact O-N 2.95Å; F94-V98 VanDerWaalsContact O-CB 3.31Å; F94-V98 WeakPolarHBondContact O-CB 3.27Å; F94-V98 WeakPolarHBondContact O-CG2 3.39Å; F94-V98 PolarHBondContact O-N 2.9Å; F94-A116 HydrophobicContact CB-CB 3.75Å; F94-L119 HydrophobicContact CB-CB 4.49Å; F94-L119 HydrophobicContact CB-CD1 4.39Å; F94-L119 HydrophobicContact CD1-CB 4.06Å; F94-L119 HydrophobicContact CD1-CD1 3.75Å; F94-L119 HydrophobicContact CD1-CG 4.49Å; F94-L119 HydrophobicContact CD2-CB 3.92Å; F94-L119 HydrophobicContact CE1-CB 4.22Å; F94-L119 HydrophobicContact CE1-CD1 4.25Å; F94-L119 HydrophobicContact CE2-CB 4.09Å; F94-L119 HydrophobicContact CG-CB 3.91Å; F94-L119 HydrophobicContact CG-CD1 4.15Å; F94-L119 HydrophobicContact CZ-CB 4.23Å; F94-T123 WeakPolarHBondContact CE2-OG1 3.44Å; F94-V163 HydrophobicContact CE1-CG2 4.25Å; F94-V163 HydrophobicContact CZ-CG2 4.36Å
95H96.9Very high94.7Very high36 Ų3667.6 Ų67.617%0.16736%0.361CS..Hα-helixtrans-58.3-46.5176.3-176.279.6000111.1C91 F93 V98 I99 F113 A116C91-H95 VanDerWaalsContact O-CB 3.24Å; C91-H95 WeakPolarHBondContact O-CB 3.38Å; C91-H95 PolarHBondContact O-N 2.98Å; F93-H95 VanDerWaalsContact C-N 3.34Å; F93-H95 PolarHBondContact O-N 3.41Å; H95-V98 PolarHBondContact O-N 3.41Å; H95-I99 VanDerWaalsContact CD2-CD1 3.47Å; H95-I99 WeakPolarHBondContact CD2-CD1 3.49Å; H95-I99 VanDerWaalsContact NE2-CD1 3.32Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.19Å; H95-I99 WeakPolarHBondContact O-CD1 3.39Å; H95-I99 WeakPolarHBondContact O-CG1 3.4Å; H95-I99 PolarHBondContact O-N 2.97Å; H95-F113 HydrophobicContact CB-CD2 4.28Å; H95-F113 WeakPolarHBondContact ND1-CA 3.42Å; H95-F113 AromaticContact ND1-CD2 3.92Å; H95-F113 PolarHBondContact ND1-N 2.94Å; H95-A116 HydrophobicContact CB-CB 3.83Å
96T96.9Very high94Very high75 Ų7570.1 Ų70.146%0.4637%0.374SS..Hα-helixtrans-63.1-47.8177.9-55.10000111.3L92 F93 F94 V98 I99 L100L92-T96 WeakPolarHBondContact O-CB 3.34Å; L92-T96 PolarHBondContact O-N 3.14Å; L92-T96 PolarHBondContact O-OG1 2.91Å; F93-T96 PolarHBondContact O-N 3.4Å; F94-T96 VanDerWaalsContact C-N 3.31Å; F94-T96 PolarHBondContact O-N 2.69Å; T96-V98 VanDerWaalsContact C-N 3.34Å; T96-V98 PolarHBondContact O-N 2.87Å; T96-I99 PolarHBondContact O-N 3.49Å; T96-L100 HydrophobicContact CG2-CD1 4.16Å; T96-L100 HydrophobicContact CG2-CG 4.48Å; T96-L100 VanDerWaalsContact O-CG 3.3Å; T96-L100 WeakPolarHBondContact O-CG 3.22Å; T96-L100 PolarHBondContact O-N 3.4Å
97V96.9Very high93.3Very high43 Ų4376 Ų7626%0.26140%0.403SS..Hα-helixtrans-59.4-46178.2168.90000110.8F93 F94 I99 L100 Y101F93-V97 HydrophobicContact CD1-CG2 4.37Å; F93-V97 HydrophobicContact CD2-CG2 4.25Å; F93-V97 HydrophobicContact CE1-CG2 3.96Å; F93-V97 HydrophobicContact CE2-CG2 3.83Å; F93-V97 HydrophobicContact CZ-CG2 3.67Å; F93-V97 WeakPolarHBondContact O-CG2 3.41Å; F93-V97 PolarHBondContact O-N 3.38Å; F94-V97 PolarHBondContact O-N 2.95Å; V97-I99 VanDerWaalsContact C-N 3.33Å; V97-I99 PolarHBondContact O-N 2.99Å; V97-L100 PolarHBondContact O-N 2.86Å; V97-L100 VanDerWaalsContact O-N 3.15Å; V97-Y101 HydrophobicContact CG1-CD2 3.94Å; V97-Y101 HydrophobicContact CG1-CE2 4.07Å; V97-Y101 VanDerWaalsContact O-CD2 3.28Å; V97-Y101 WeakPolarHBondContact O-CD2 3.42Å; V97-Y101 PolarHBondContact O-N 2.8Å
98V95.7Very high92.9Very high20 Ų2075.5 Ų75.512%0.12140%0.402CS..Hα-helixtrans-63.2-39.6-179.3169.20000111.7F94 H95 T96 Y101 G102 A103 T112 L115 L119 W184F94-V98 VanDerWaalsContact O-CB 3.31Å; F94-V98 WeakPolarHBondContact O-CB 3.27Å; F94-V98 WeakPolarHBondContact O-CG2 3.39Å; F94-V98 PolarHBondContact O-N 2.9Å; H95-V98 PolarHBondContact O-N 3.41Å; T96-V98 VanDerWaalsContact C-N 3.34Å; T96-V98 PolarHBondContact O-N 2.87Å; V98-Y101 CarbonylContact O-C 3.3Å; V98-Y101 PolarHBondContact O-N 3.43Å; V98-G102 PolarHBondContact O-N 2.96Å; V98-A103 HydrophobicContact CG1-CB 3.46Å; V98-A103 VanDerWaalsContact CG1-CB 3.46Å; V98-A103 WeakPolarHBondContact O-CB 3.21Å; V98-A103 PolarHBondContact O-N 3.44Å; V98-A103 VanDerWaalsContact O-N 3.15Å; V98-T112 HydrophobicContact CB-CG2 4.39Å; V98-T112 HydrophobicContact CG1-CG2 3.83Å; V98-L115 HydrophobicContact CG1-CD2 4.32Å; V98-L115 HydrophobicContact CG2-CD2 4.41Å; V98-L119 HydrophobicContact CG2-CD1 4.44Å; V98-W184 HydrophobicContact CG1-CH2 3.35Å; V98-W184 HydrophobicContact CG1-CZ2 3.45Å; V98-W184 VanDerWaalsContact CG1-CZ2 3.45Å
99I95.4Very high92.7Very high38 Ų3872.5 Ų72.520%0.19539%0.392CS..Hα-helixtrans-61.5-46.6171.8-71.8161.9000111.1H95 T96 V97 Y101 G102 L105 T112H95-I99 VanDerWaalsContact CD2-CD1 3.47Å; H95-I99 WeakPolarHBondContact CD2-CD1 3.49Å; H95-I99 VanDerWaalsContact NE2-CD1 3.32Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.19Å; H95-I99 WeakPolarHBondContact O-CD1 3.39Å; H95-I99 WeakPolarHBondContact O-CG1 3.4Å; H95-I99 PolarHBondContact O-N 2.97Å; T96-I99 PolarHBondContact O-N 3.49Å; V97-I99 VanDerWaalsContact C-N 3.33Å; V97-I99 PolarHBondContact O-N 2.99Å; I99-Y101 PolarHBondContact O-N 2.92Å; I99-G102 PolarHBondContact O-N 3.47Å; I99-L105 HydrophobicContact CD1-CD1 3.55Å; I99-L105 HydrophobicContact CG1-CD1 4.24Å; I99-L105 HydrophobicContact CG2-CD1 4.03Å; I99-T112 HydrophobicContact CG1-CG2 4.09Å
100L95Very high92.5Very high138 Ų13872.2 Ų72.272%0.72339%0.39SS*.Hα-helixtrans-62.5-25.6178.6-68.8174.4000112.7T96 V97 G102T96-L100 HydrophobicContact CG2-CD1 4.16Å; T96-L100 HydrophobicContact CG2-CG 4.48Å; T96-L100 VanDerWaalsContact O-CG 3.3Å; T96-L100 WeakPolarHBondContact O-CG 3.22Å; T96-L100 PolarHBondContact O-N 3.4Å; V97-L100 PolarHBondContact O-N 2.86Å; V97-L100 VanDerWaalsContact O-N 3.15Å; L100-G102 VanDerWaalsContact C-N 3.29Å
101Y91.2Very high92.4Very high179 Ų17973.8 Ų73.870%0.70240%0.396SS*.THydrogen-bonded Turntrans-878.4173.9-86.9-102.1000113.8V97 V98 I99V97-Y101 HydrophobicContact CG1-CD2 3.94Å; V97-Y101 HydrophobicContact CG1-CE2 4.07Å; V97-Y101 VanDerWaalsContact O-CD2 3.28Å; V97-Y101 WeakPolarHBondContact O-CD2 3.42Å; V97-Y101 PolarHBondContact O-N 2.8Å; V98-Y101 CarbonylContact O-C 3.3Å; V98-Y101 PolarHBondContact O-N 3.43Å; I99-Y101 PolarHBondContact O-N 2.92Å
102G89.9Confident92.4Very high68 Ų6873.1 Ų73.170%0.70139%0.392SS*.THydrogen-bonded Turntrans105.89.4168.900000115.8V98 I99 L100V98-G102 PolarHBondContact O-N 2.96Å; I99-G102 PolarHBondContact O-N 3.47Å; L100-G102 VanDerWaalsContact C-N 3.29Å
103A90.1Very high92.3Very high12 Ų1272.5 Ų72.510%0.09939%0.385CS..  trans-69.7147.5173.700000112.2V98 L105 T112 W184V98-A103 HydrophobicContact CG1-CB 3.46Å; V98-A103 VanDerWaalsContact CG1-CB 3.46Å; V98-A103 WeakPolarHBondContact O-CB 3.21Å; V98-A103 PolarHBondContact O-N 3.44Å; V98-A103 VanDerWaalsContact O-N 3.15Å; A103-L105 PolarHBondContact O-N 2.86Å; A103-T112 HydrophobicContact CB-CG2 4.07Å; A103-W184 HydrophobicContact CB-CH2 3.8Å; A103-W184 HydrophobicContact CB-CZ2 3.46Å; A103-W184 VanDerWaalsContact CB-CZ2 3.46Å
104P81.3Confident92.4Very high52 Ų5266.4 Ų66.434%0.33836%0.359SS..  trans-61.9132.3178.8-19.831.2000112.2T108P104-T108 WeakPolarHBondContact CB-OG1 3.33Å; P104-T108 WeakPolarHBondContact CG-OG1 3.41Å
105L79.2Confident92.4Very high105 Ų10565.6 Ų65.655%0.5536%0.355SS..SBendtrans-75.8-40.9-176.6-178.466.6000113.1I99 A103 A109I99-L105 HydrophobicContact CD1-CD1 3.55Å; I99-L105 HydrophobicContact CG1-CD1 4.24Å; I99-L105 HydrophobicContact CG2-CD1 4.03Å; A103-L105 PolarHBondContact O-N 2.86Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å
106L82.8Confident92.4Very high145 Ų14563.9 Ų63.976%0.75935%0.347SS*.SBendtrans-115.9-47.3-169.7-63.5178000113.3T108 A109L106-T108 VanDerWaalsContact C-N 3.32Å; L106-T108 PolarHBondContact O-N 2.67Å; L106-A109 PolarHBondContact O-N 3.05Å
107E83.8Confident92.5Very high182 Ų18261.8 Ų61.885%0.8533%0.334SS*.THydrogen-bonded Turntrans-63.9-36.2-171.4-65.3179.6-177.400113.3
108T89.1Confident92.6Very high34 Ų3459.7 Ų59.721%0.20932%0.322CS..THydrogen-bonded Turntrans-126.639.4179.165.50000111P104 L106 L110 E111 T112P104-T108 WeakPolarHBondContact CB-OG1 3.33Å; P104-T108 WeakPolarHBondContact CG-OG1 3.41Å; L106-T108 VanDerWaalsContact C-N 3.32Å; L106-T108 PolarHBondContact O-N 2.67Å; T108-L110 VanDerWaalsContact C-N 3.26Å; T108-L110 PolarHBondContact O-N 3.32Å; T108-E111 VanDerWaalsContact C-OE2 3.23Å; T108-E111 WeakPolarHBondContact CA-OE2 3.41Å; T108-E111 WeakPolarHBondContact CB-OE2 3.45Å; T108-E111 PolarHBondContact O-N 2.9Å; T108-T112 WeakPolarHBondContact O-CB 3.37Å; T108-T112 PolarHBondContact O-N 2.88Å; T108-T112 PolarHBondContact O-OG1 2.76Å
109A92.8Very high92.8Very high34 Ų3459.1 Ų59.128%0.28132%0.318SS..Hα-helixtrans-61.2-37.2-17600000112L105 L106 F113L105-A109 WeakPolarHBondContact O-CB 3.4Å; L106-A109 PolarHBondContact O-N 3.05Å; A109-F113 WeakPolarHBondContact O-CB 3.48Å; A109-F113 PolarHBondContact O-N 3.41Å
110L95.4Very high92.9Very high99 Ų9957.5 Ų57.552%0.51831%0.31SS..Hα-helixtrans-63-50.6177.3177.762.7000110.4L41 T108 T112 F113 S114L41-L110 HydrophobicContact CD1-CD2 4Å; L41-L110 HydrophobicContact CD1-CG 4.39Å; T108-L110 VanDerWaalsContact C-N 3.26Å; T108-L110 PolarHBondContact O-N 3.32Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.27Å; L110-F113 CarbonylContact O-C 3.6Å; L110-F113 PolarHBondContact O-N 3.12Å; L110-S114 WeakPolarHBondContact O-CB 3.41Å; L110-S114 PolarHBondContact O-N 3.34Å; L110-S114 PolarHBondContact O-OG 2.61Å
111E96.3Very high93.1Very high43 Ų4351.7 Ų51.720%0.20128%0.281CS..Hα-helixtrans-58-46.6178.1-70.874.9-166.800111.4L41 T108 F113 S114 L115 P185L41-E111 HydrophobicContact CD2-CG 4.33Å; T108-E111 VanDerWaalsContact C-OE2 3.23Å; T108-E111 WeakPolarHBondContact CA-OE2 3.41Å; T108-E111 WeakPolarHBondContact CB-OE2 3.45Å; T108-E111 PolarHBondContact O-N 2.9Å; E111-F113 VanDerWaalsContact C-N 3.33Å; E111-F113 PolarHBondContact O-N 3.34Å; E111-S114 WeakPolarHBondContact O-CB 3.43Å; E111-S114 PolarHBondContact O-N 3.44Å; E111-L115 PolarHBondContact O-N 2.93Å; E111-P185 HydrophobicContact CB-CG 3.92Å
112T97Very high93.4Very high0 Ų043.2 Ų43.20%025%0.248CC..Hα-helixtrans-62-41.6177.2-59.30000111.1V98 I99 A103 T108 L110 A116 W184V98-T112 HydrophobicContact CB-CG2 4.39Å; V98-T112 HydrophobicContact CG1-CG2 3.83Å; I99-T112 HydrophobicContact CG1-CG2 4.09Å; A103-T112 HydrophobicContact CB-CG2 4.07Å; T108-T112 WeakPolarHBondContact O-CB 3.37Å; T108-T112 PolarHBondContact O-N 2.88Å; T108-T112 PolarHBondContact O-OG1 2.76Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.27Å; T112-A116 PolarHBondContact O-N 2.9Å; T112-W184 HydrophobicContact CG2-CZ2 4.27Å; T112-W184 PolarHBondContact OG1-NE1 2.88Å
113F97.6Very high93.8Very high70 Ų7040 Ų4031%0.30722%0.215SC..Hα-helixtrans-69.1-38175-171.7-102.1000112.4C91 H95 A109 L110 E111 L115 A116 V117C91-F113 HydrophobicContact CB-CE2 4.12Å; C91-F113 HydrophobicContact CB-CZ 4.22Å; H95-F113 HydrophobicContact CB-CD2 4.28Å; H95-F113 WeakPolarHBondContact ND1-CA 3.42Å; H95-F113 AromaticContact ND1-CD2 3.92Å; H95-F113 PolarHBondContact ND1-N 2.94Å; A109-F113 WeakPolarHBondContact O-CB 3.48Å; A109-F113 PolarHBondContact O-N 3.41Å; L110-F113 CarbonylContact O-C 3.6Å; L110-F113 PolarHBondContact O-N 3.12Å; E111-F113 VanDerWaalsContact C-N 3.33Å; E111-F113 PolarHBondContact O-N 3.34Å; F113-L115 PolarHBondContact O-N 2.83Å; F113-A116 WeakPolarHBondContact O-CA 3.37Å; F113-A116 WeakPolarHBondContact O-CB 3.33Å; F113-A116 PolarHBondContact O-N 3.1Å; F113-A116 VanDerWaalsContact O-N 3.1Å; F113-V117 HydrophobicContact CD1-CG2 4.07Å; F113-V117 HydrophobicContact CE1-CG2 3.74Å; F113-V117 HydrophobicContact CZ-CG2 4.24Å; F113-V117 WeakPolarHBondContact O-CG2 3.37Å; F113-V117 PolarHBondContact O-N 3.44Å
114S98.1Very high94.1Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-60.1-44.4173.9-60.20000111.2L44 Y45 L110 E111 A116 V117 L118L44-S114 WeakPolarHBondContact CD2-O 3.44Å; Y45-S114 PolarHBondContact OH-OG 2.91Å; L110-S114 WeakPolarHBondContact O-CB 3.41Å; L110-S114 PolarHBondContact O-N 3.34Å; L110-S114 PolarHBondContact O-OG 2.61Å; E111-S114 WeakPolarHBondContact O-CB 3.43Å; E111-S114 PolarHBondContact O-N 3.44Å; S114-A116 VanDerWaalsContact C-N 3.27Å; S114-A116 PolarHBondContact O-N 3.03Å; S114-V117 WeakPolarHBondContact O-CB 3.32Å; S114-V117 PolarHBondContact O-N 2.9Å; S114-V117 VanDerWaalsContact O-N 3.12Å; S114-L118 PolarHBondContact O-N 2.97Å
115L98.3Very high94.8Very high4 Ų438.4 Ų38.42%0.02120%0.202CC..Hα-helixtrans-58.5-40.1173.4179.661.3000111.7V98 E111 F113 V117 L118 L119 W184 P185 C188V98-L115 HydrophobicContact CG1-CD2 4.32Å; V98-L115 HydrophobicContact CG2-CD2 4.41Å; E111-L115 PolarHBondContact O-N 2.93Å; F113-L115 PolarHBondContact O-N 2.83Å; L115-V117 PolarHBondContact O-N 2.92Å; L115-L118 HydrophobicContact CD1-CD2 4.43Å; L115-L118 WeakPolarHBondContact O-CB 3.49Å; L115-L118 PolarHBondContact O-N 2.9Å; L115-L119 HydrophobicContact CD1-CD1 4.49Å; L115-L119 HydrophobicContact CD1-CG 4.4Å; L115-L119 HydrophobicContact CG-CD1 4.22Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 2.83Å; L115-W184 HydrophobicContact CD2-CH2 3.51Å; L115-W184 HydrophobicContact CD2-CZ2 3.81Å; L115-W184 HydrophobicContact CD2-CZ3 4.3Å; L115-P185 HydrophobicContact CB-CB 4.06Å; L115-P185 HydrophobicContact CD2-CB 4.17Å; L115-C188 HydrophobicContact CD1-CB 4.16Å; L115-C188 HydrophobicContact CD2-CB 3.77Å
116A98.4Very high95.4Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-65.4-36.3176.100000113.1C91 F94 H95 T112 F113 S114 T120C91-A116 WeakPolarHBondContact O-CB 3.39Å; F94-A116 HydrophobicContact CB-CB 3.75Å; H95-A116 HydrophobicContact CB-CB 3.83Å; T112-A116 PolarHBondContact O-N 2.9Å; F113-A116 WeakPolarHBondContact O-CA 3.37Å; F113-A116 WeakPolarHBondContact O-CB 3.33Å; F113-A116 PolarHBondContact O-N 3.1Å; F113-A116 VanDerWaalsContact O-N 3.1Å; S114-A116 VanDerWaalsContact C-N 3.27Å; S114-A116 PolarHBondContact O-N 3.03Å; A116-T120 VanDerWaalsContact O-CB 3.27Å; A116-T120 WeakPolarHBondContact O-CB 3.27Å; A116-T120 PolarHBondContact O-N 3.35Å; A116-T120 PolarHBondContact O-OG1 2.89Å
117V98.7Very high96Very high31 Ų3126.8 Ų26.819%0.18814%0.142CC..Hα-helixtrans-64.5-44.1172170.90000110.9A48 F113 S114 L115 T120 S121A48-V117 HydrophobicContact CB-CG1 4.49Å; F113-V117 HydrophobicContact CD1-CG2 4.07Å; F113-V117 HydrophobicContact CE1-CG2 3.74Å; F113-V117 HydrophobicContact CZ-CG2 4.24Å; F113-V117 WeakPolarHBondContact O-CG2 3.37Å; F113-V117 PolarHBondContact O-N 3.44Å; S114-V117 WeakPolarHBondContact O-CB 3.32Å; S114-V117 PolarHBondContact O-N 2.9Å; S114-V117 VanDerWaalsContact O-N 3.12Å; L115-V117 PolarHBondContact O-N 2.92Å; V117-T120 PolarHBondContact O-N 2.89Å; V117-S121 WeakPolarHBondContact O-CB 3.35Å; V117-S121 PolarHBondContact O-N 3.24Å; V117-S121 PolarHBondContact O-OG 3.43Å
118L98.8Very high96.4Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-59.9-52.5175.6-179.666.8000110.7L44 V47 A48 S114 L115 T120 S121 L122 A192 V193L44-L118 HydrophobicContact CD1-CB 4.16Å; L44-L118 HydrophobicContact CD1-CD2 4.22Å; L44-L118 HydrophobicContact CD2-CB 3.98Å; L44-L118 HydrophobicContact CG-CB 3.91Å; L44-L118 HydrophobicContact CG-CD1 4.41Å; L44-L118 HydrophobicContact CG-CD2 4.09Å; L44-L118 HydrophobicContact CG-CG 4.35Å; V47-L118 HydrophobicContact CB-CD1 4.31Å; V47-L118 HydrophobicContact CG1-CD1 3.96Å; A48-L118 HydrophobicContact CB-CD1 4.28Å; S114-L118 PolarHBondContact O-N 2.97Å; L115-L118 HydrophobicContact CD1-CD2 4.43Å; L115-L118 WeakPolarHBondContact O-CB 3.49Å; L115-L118 PolarHBondContact O-N 2.9Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 2.74Å; L118-S121 WeakPolarHBondContact O-CB 3.36Å; L118-S121 PolarHBondContact O-N 3.47Å; L118-L122 HydrophobicContact CD1-CD1 4.12Å; L118-L122 HydrophobicContact CD1-CG 4.22Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.37Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 2.84Å; L118-A192 HydrophobicContact CD2-CB 4.37Å; L118-V193 HydrophobicContact CD1-CG2 4.41Å; L118-V193 HydrophobicContact CD2-CG2 4.31Å
119L98.7Very high96.5Very high8 Ų817.4 Ų17.44%0.04210%0.097CC..Hα-helixtrans-57.6-43.6178.5-74.2172.5000111.9F94 V98 L115 S121 L122 T123 A166 A192F94-L119 HydrophobicContact CB-CB 4.49Å; F94-L119 HydrophobicContact CB-CD1 4.39Å; F94-L119 HydrophobicContact CD1-CB 4.06Å; F94-L119 HydrophobicContact CD1-CD1 3.75Å; F94-L119 HydrophobicContact CD1-CG 4.49Å; F94-L119 HydrophobicContact CD2-CB 3.92Å; F94-L119 HydrophobicContact CE1-CB 4.22Å; F94-L119 HydrophobicContact CE1-CD1 4.25Å; F94-L119 HydrophobicContact CE2-CB 4.09Å; F94-L119 HydrophobicContact CG-CB 3.91Å; F94-L119 HydrophobicContact CG-CD1 4.15Å; F94-L119 HydrophobicContact CZ-CB 4.23Å; V98-L119 HydrophobicContact CG2-CD1 4.44Å; L115-L119 HydrophobicContact CD1-CD1 4.49Å; L115-L119 HydrophobicContact CD1-CG 4.4Å; L115-L119 HydrophobicContact CG-CD1 4.22Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 2.83Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.34Å; L119-L122 PolarHBondContact O-N 2.98Å; L119-T123 WeakPolarHBondContact O-CB 3.26Å; L119-T123 WeakPolarHBondContact O-CG2 3.44Å; L119-T123 PolarHBondContact O-N 3.45Å; L119-T123 PolarHBondContact O-OG1 3.22Å; L119-A166 HydrophobicContact CD2-CB 3.72Å; L119-A192 HydrophobicContact CD2-CB 4Å
120T98.7Very high96.4Very high4 Ų417 Ų173%0.0259%0.091CC..Hα-helixtrans-61-39.8175.9-660000111.9L87 S90 C91 A116 V117 L118 T124 L125L87-T120 HydrophobicContact CB-CG2 4.29Å; L87-T120 HydrophobicContact CD2-CG2 3.88Å; S90-T120 WeakPolarHBondContact OG-CG2 3.24Å; S90-T120 PolarHBondContact OG-OG1 3.23Å; C91-T120 WeakPolarHBondContact CA-OG1 3.37Å; C91-T120 PolarHBondContact N-OG1 2.9Å; C91-T120 PolarHBondContact SG-OG1 3.42Å; A116-T120 VanDerWaalsContact O-CB 3.27Å; A116-T120 WeakPolarHBondContact O-CB 3.27Å; A116-T120 PolarHBondContact O-N 3.35Å; A116-T120 PolarHBondContact O-OG1 2.89Å; V117-T120 PolarHBondContact O-N 2.89Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 2.74Å; T120-T124 PolarHBondContact O-N 3.41Å; T120-T124 VanDerWaalsContact O-N 3.09Å; T120-L125 PolarHBondContact O-N 3.26Å
121S98.3Very high96.1Very high16 Ų1613.6 Ų13.611%0.1127%0.073CC..Hα-helixtrans-68.5-41178.3-56.40000112V51 V117 L118 L119V51-S121 WeakPolarHBondContact CG1-O 3.48Å; V117-S121 WeakPolarHBondContact O-CB 3.35Å; V117-S121 PolarHBondContact O-N 3.24Å; V117-S121 PolarHBondContact O-OG 3.43Å; L118-S121 WeakPolarHBondContact O-CB 3.36Å; L118-S121 PolarHBondContact O-N 3.47Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.34Å
122L98.3Very high95.9Very high0 Ų011.9 Ų11.90%07%0.067CC..Hα-helixtrans-73.6-25.9178.4-61.7178.3000112.9V51 L118 L119 A192 V193 Y196V51-L122 HydrophobicContact CG1-CD2 4.26Å; V51-L122 HydrophobicContact CG2-CD2 3.86Å; L118-L122 HydrophobicContact CD1-CD1 4.12Å; L118-L122 HydrophobicContact CD1-CG 4.22Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.37Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 2.84Å; L119-L122 PolarHBondContact O-N 2.98Å; L122-A192 HydrophobicContact CD1-CB 3.85Å; L122-V193 HydrophobicContact CD1-CG2 4.32Å; L122-Y196 HydrophobicContact CB-CD2 3.96Å; L122-Y196 HydrophobicContact CB-CG 4.46Å; L122-Y196 HydrophobicContact CD2-CD1 4.01Å; L122-Y196 HydrophobicContact CD2-CD2 3.89Å; L122-Y196 HydrophobicContact CD2-CE1 4.39Å; L122-Y196 HydrophobicContact CD2-CE2 4.29Å; L122-Y196 HydrophobicContact CD2-CG 3.74Å; L122-Y196 HydrophobicContact CG-CD2 4.45Å; L122-Y196 WeakPolarHBondContact O-CE2 3.34Å
123T97.8Very high95.6Very high2 Ų212.9 Ų12.91%0.0127%0.074CC..THydrogen-bonded Turntrans-113.8-84.1-173.164.40000112.7F94 L119 L125 R126 C127 V159 V163F94-T123 WeakPolarHBondContact CE2-OG1 3.44Å; L119-T123 WeakPolarHBondContact O-CB 3.26Å; L119-T123 WeakPolarHBondContact O-CG2 3.44Å; L119-T123 PolarHBondContact O-N 3.45Å; L119-T123 PolarHBondContact O-OG1 3.22Å; T123-L125 VanDerWaalsContact C-N 3.3Å; T123-L125 PolarHBondContact O-N 2.96Å; T123-R126 WeakPolarHBondContact O-CB 3.39Å; T123-R126 PolarHBondContact O-N 3.37Å; T123-C127 PolarHBondContact O-N 2.87Å; T123-V159 HydrophobicContact CG2-CB 4.4Å; T123-V159 HydrophobicContact CG2-CG1 4Å; T123-V159 HydrophobicContact CG2-CG2 4.37Å; T123-V163 HydrophobicContact CG2-CG2 4.08Å
124T97.3Very high95.3Very high18 Ų1813.1 Ų13.111%0.118%0.078CC..Hα-helixtrans-56.9-38.5-171-57.10000113.2L87 S90 T120 R126 C127 V128 W138L87-T124 HydrophobicContact CD2-CG2 4.18Å; S90-T124 WeakPolarHBondContact CB-OG1 3.28Å; S90-T124 WeakPolarHBondContact OG-CB 3.3Å; S90-T124 PolarHBondContact OG-OG1 3.11Å; T120-T124 PolarHBondContact O-N 3.41Å; T120-T124 VanDerWaalsContact O-N 3.09Å; T124-R126 PolarHBondContact O-N 3.35Å; T124-C127 WeakPolarHBondContact O-CB 3.46Å; T124-C127 PolarHBondContact O-N 3.29Å; T124-C127 VanDerWaalsContact O-N 3.11Å; T124-V128 HydrophobicContact CG2-CG2 4.27Å; T124-V128 WeakPolarHBondContact O-CG2 3.27Å; T124-V128 PolarHBondContact O-N 2.98Å; T124-W138 HydrophobicContact CG2-CH2 3.53Å; T124-W138 HydrophobicContact CG2-CZ3 3.83Å
125L96.4Very high95Very high11 Ų1116.4 Ų16.46%0.05810%0.098CC..Hα-helixtrans-56.8-43.1177.9178.669.4000112A52 N55 L87 T120 T123 C127 V128 C129A52-L125 HydrophobicContact CB-CD2 3.71Å; N55-L125 HydrophobicContact CB-CD2 4.26Å; L87-L125 HydrophobicContact CD1-CD1 3.88Å; L87-L125 HydrophobicContact CD2-CB 3.93Å; L87-L125 HydrophobicContact CD2-CD1 4.04Å; T120-L125 PolarHBondContact O-N 3.26Å; T123-L125 VanDerWaalsContact C-N 3.3Å; T123-L125 PolarHBondContact O-N 2.96Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 3.47Å; L125-V128 WeakPolarHBondContact O-CB 3.4Å; L125-V128 PolarHBondContact O-N 3.32Å; L125-C129 PolarHBondContact O-N 3.45Å; L125-C129 PolarHBondContact O-SG 2.93Å; L125-C129 VanDerWaalsContact O-SG 3.39Å
126R91.7Very high94.8Very high2 Ų223.7 Ų23.71%0.00813%0.132CC..Hα-helixtrans-66-39.1179.4-163.7176.5173.6165.4-0.6111.5H13 N55 T123 T124 C129 V130 S154 L155H13-R126 PolarHBondContact CD2-NH2 2.88Å; H13-R126 VanDerWaalsContact CD2-NH2 3.29Å; H13-R126 PolarHBondContact NE2-NH2 3.16Å; N55-R126 WeakPolarHBondContact OD1-CG 3.39Å; T123-R126 WeakPolarHBondContact O-CB 3.39Å; T123-R126 PolarHBondContact O-N 3.37Å; T124-R126 PolarHBondContact O-N 3.35Å; R126-C129 PolarHBondContact O-N 2.89Å; R126-V130 HydrophobicContact CG-CG2 4.46Å; R126-V130 WeakPolarHBondContact O-CG2 3.34Å; R126-V130 PolarHBondContact O-N 3.32Å; R126-S154 PolarHBondContact NH2-OG 2.77Å; R126-L155 HydrophobicContact CB-CD2 4.09Å; R126-L155 HydrophobicContact CG-CD2 3.62Å
127C93.8Very high94.5Very high5 Ų524.4 Ų24.43%0.03414%0.138CC..Hα-helixtrans-60.7-44.3172.7-630000111.6T123 T124 L125 C129 V130 L131 W138T123-C127 PolarHBondContact O-N 2.87Å; T124-C127 WeakPolarHBondContact O-CB 3.46Å; T124-C127 PolarHBondContact O-N 3.29Å; T124-C127 VanDerWaalsContact O-N 3.11Å; L125-C127 VanDerWaalsContact C-N 3.33Å; L125-C127 PolarHBondContact O-N 3.47Å; C127-C129 PolarHBondContact O-N 2.82Å; C127-V130 PolarHBondContact O-N 2.91Å; C127-L131 WeakPolarHBondContact O-CA 3.23Å; C127-L131 VanDerWaalsContact O-CB 3.28Å; C127-L131 WeakPolarHBondContact O-CB 3.4Å; C127-L131 PolarHBondContact O-N 3.44Å; C127-W138 HydrophobicContact CB-CD2 4.26Å; C127-W138 HydrophobicContact CB-CH2 4.28Å; C127-W138 HydrophobicContact CB-CZ2 3.9Å
128V94.1Very high94.3Very high8 Ų825.1 Ų25.15%0.04814%0.137CC..Hα-helixtrans-62.5-42.2176.2172.30000111.3S83 L87 T124 L125 G132 W138S83-V128 VanDerWaalsContact CB-CG1 3.5Å; S83-V128 WeakPolarHBondContact OG-CG1 3.41Å; L87-V128 HydrophobicContact CD2-CG2 4.31Å; T124-V128 HydrophobicContact CG2-CG2 4.27Å; T124-V128 WeakPolarHBondContact O-CG2 3.27Å; T124-V128 PolarHBondContact O-N 2.98Å; L125-V128 WeakPolarHBondContact O-CB 3.4Å; L125-V128 PolarHBondContact O-N 3.32Å; V128-G132 WeakPolarHBondContact O-CA 3.49Å; V128-G132 PolarHBondContact O-N 3.09Å; V128-W138 HydrophobicContact CB-CZ2 4.31Å; V128-W138 HydrophobicContact CG2-CH2 3.6Å; V128-W138 HydrophobicContact CG2-CZ2 3.46Å; V128-W138 VanDerWaalsContact CG2-CZ2 3.46Å
129C90.9Very high94.1Very high11 Ų1130.7 Ų30.77%0.07417%0.165CC..Hα-helixtrans-62.5-53.9176.1-75.10000111.1F59 L125 R126 C127F59-C129 HydrophobicContact CB-CB 4.02Å; F59-C129 HydrophobicContact CD2-CB 4.27Å; F59-C129 WeakPolarHBondContact CD2-O 3.44Å; F59-C129 WeakPolarHBondContact CE2-O 3.42Å; F59-C129 HydrophobicContact CG-CB 4.31Å; L125-C129 PolarHBondContact O-N 3.45Å; L125-C129 PolarHBondContact O-SG 2.93Å; L125-C129 VanDerWaalsContact O-SG 3.39Å; R126-C129 PolarHBondContact O-N 2.89Å; C127-C129 PolarHBondContact O-N 2.82Å
130V89.2Confident93.9Very high25 Ų2534.5 Ų34.515%0.15218%0.179CC..Hα-helixtrans-78.1-45.9-171.8176.30000112.7V64 R126 C127 W151 L155V64-V130 HydrophobicContact CG1-CG1 4.07Å; R126-V130 HydrophobicContact CG-CG2 4.46Å; R126-V130 WeakPolarHBondContact O-CG2 3.34Å; R126-V130 PolarHBondContact O-N 3.32Å; C127-V130 PolarHBondContact O-N 2.91Å; V130-W151 HydrophobicContact CG1-CB 4.21Å; V130-L155 HydrophobicContact CB-CD1 3.98Å; V130-L155 HydrophobicContact CB-CD2 4.42Å; V130-L155 HydrophobicContact CG1-CD1 3.85Å; V130-L155 HydrophobicContact CG2-CD2 4.27Å
131L90.4Very high93.7Very high28 Ų2834.3 Ų34.315%0.14718%0.178CC..Hα-helixtrans-97.8-11.9-173.3-53.7176.7000113C127 A137 W138 V141 L155C127-L131 WeakPolarHBondContact O-CA 3.23Å; C127-L131 VanDerWaalsContact O-CB 3.28Å; C127-L131 WeakPolarHBondContact O-CB 3.4Å; C127-L131 PolarHBondContact O-N 3.44Å; L131-A137 HydrophobicContact CB-CB 4.32Å; L131-W138 HydrophobicContact CD1-CG 4.29Å; L131-V141 HydrophobicContact CD1-CB 4.01Å; L131-V141 HydrophobicContact CD1-CG1 4.34Å; L131-V141 HydrophobicContact CD1-CG2 3.75Å; L131-V141 HydrophobicContact CD2-CG2 3.93Å; L131-L155 HydrophobicContact CD1-CD1 3.79Å; L131-L155 HydrophobicContact CD2-CD1 4.02Å; L131-L155 HydrophobicContact CG-CD1 3.71Å
132G90.6Very high93.4Very high7 Ų737.8 Ų37.87%0.07219%0.192CC..  trans72.7176.8-16900000112.5V128 N134 W138V128-G132 WeakPolarHBondContact O-CA 3.49Å; V128-G132 PolarHBondContact O-N 3.09Å; G132-N134 PolarHBondContact O-N 2.97Å; G132-W138 PolarHBondContact O-NE1 3.39Å
133P91.9Very high93.2Very high21 Ų2140.2 Ų40.214%0.13621%0.208CC..SBendtrans-75.264.7170.433.1-35.3000110.5R79 R82 Y86R79-P133 HydrophobicContact CG-CG 4.11Å; R82-P133 HydrophobicContact CB-CB 3.84Å; R82-P133 HydrophobicContact CB-CG 3.89Å; Y86-P133 HydrophobicContact CD2-CB 3.72Å; Y86-P133 VanDerWaalsContact CE2-CA 3.46Å; Y86-P133 HydrophobicContact CE2-CB 3.59Å; Y86-P133 HydrophobicContact CG-CB 4.46Å
134N91.8Very high92.6Very high74 Ų7450.6 Ų50.640%0.39625%0.247SC..  trans-124.496.6179.7-178-14.6000110.1G132 Q136 A137 W138G132-N134 PolarHBondContact O-N 2.97Å; N134-Q136 VanDerWaalsContact C-N 3.26Å; N134-Q136 PolarHBondContact O-N 2.94Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.37Å; N134-Q136 PolarHBondContact OD1-N 3.38Å; N134-Q136 VanDerWaalsContact OD1-N 3.11Å; N134-A137 HydrophobicContact CB-CB 4.02Å; N134-A137 WeakPolarHBondContact O-CB 3.31Å; N134-A137 PolarHBondContact O-N 2.89Å; N134-A137 PolarHBondContact OD1-N 2.95Å; N134-W138 PolarHBondContact O-N 3.45Å; N134-W138 VanDerWaalsContact O-N 3.13Å
135V91.7Very high92Very high69 Ų6957.2 Ų57.242%0.41828%0.276SS..Hα-helixtrans-58.3-36.1-178.2174.80000112.4Y86 A137 W138 I139Y86-V135 HydrophobicContact CE2-CG2 3.89Å; Y86-V135 WeakPolarHBondContact OH-CG2 3.38Å; V135-A137 VanDerWaalsContact C-N 3.31Å; V135-A137 PolarHBondContact O-N 3.36Å; V135-W138 PolarHBondContact O-N 2.92Å; V135-W138 VanDerWaalsContact O-N 3.13Å; V135-I139 HydrophobicContact CG1-CD1 3.7Å; V135-I139 HydrophobicContact CG1-CG1 4.11Å; V135-I139 WeakPolarHBondContact O-CG1 3.4Å; V135-I139 PolarHBondContact O-N 3.42Å
136Q93.8Very high91.5Very high158 Ų15857 Ų5774%0.73828%0.278SS*.Hα-helixtrans-64.6-38.7177.7-65.7-179.9-25.700111.6N134 W138 R140N134-Q136 VanDerWaalsContact C-N 3.26Å; N134-Q136 PolarHBondContact O-N 2.94Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.37Å; N134-Q136 PolarHBondContact OD1-N 3.38Å; N134-Q136 VanDerWaalsContact OD1-N 3.11Å; Q136-W138 VanDerWaalsContact C-N 3.3Å; Q136-W138 PolarHBondContact O-N 3.33Å; Q136-R140 VanDerWaalsContact O-CB 3.29Å; Q136-R140 WeakPolarHBondContact O-CB 3.42Å; Q136-R140 PolarHBondContact O-N 3.22Å
137A92.3Very high91.3Very high15 Ų1557.8 Ų57.812%0.12428%0.284CS..Hα-helixtrans-65.1-37.1174.100000111.4L131 N134 V135 V141L131-A137 HydrophobicContact CB-CB 4.32Å; N134-A137 HydrophobicContact CB-CB 4.02Å; N134-A137 WeakPolarHBondContact O-CB 3.31Å; N134-A137 PolarHBondContact O-N 2.89Å; N134-A137 PolarHBondContact OD1-N 2.95Å; V135-A137 VanDerWaalsContact C-N 3.31Å; V135-A137 PolarHBondContact O-N 3.36Å; A137-V141 WeakPolarHBondContact O-CB 3.41Å; A137-V141 VanDerWaalsContact O-CG2 3.28Å; A137-V141 WeakPolarHBondContact O-CG2 3.37Å; A137-V141 PolarHBondContact O-N 3.41Å
138W94.4Very high90.9Very high46 Ų4660.5 Ų60.517%0.17430%0.297CS..Hα-helixtrans-70-48.5179.1-64.821.9000111.2Y86 T124 C127 V128 L131 G132 N134 V135 Q136 R140 V141 F142Y86-W138 AromaticContact CD2-CH2 3.83Å; Y86-W138 HydrophobicContact CD2-CH2 3.83Å; Y86-W138 AromaticContact CD2-CZ2 3.97Å; Y86-W138 HydrophobicContact CD2-CZ2 3.97Å; Y86-W138 HydrophobicContact CD2-CZ3 4.47Å; T124-W138 HydrophobicContact CG2-CH2 3.53Å; T124-W138 HydrophobicContact CG2-CZ3 3.83Å; C127-W138 HydrophobicContact CB-CD2 4.26Å; C127-W138 HydrophobicContact CB-CH2 4.28Å; C127-W138 HydrophobicContact CB-CZ2 3.9Å; V128-W138 HydrophobicContact CB-CZ2 4.31Å; V128-W138 HydrophobicContact CG2-CH2 3.6Å; V128-W138 HydrophobicContact CG2-CZ2 3.46Å; V128-W138 VanDerWaalsContact CG2-CZ2 3.46Å; L131-W138 HydrophobicContact CD1-CG 4.29Å; G132-W138 PolarHBondContact O-NE1 3.39Å; N134-W138 PolarHBondContact O-N 3.45Å; N134-W138 VanDerWaalsContact O-N 3.13Å; V135-W138 PolarHBondContact O-N 2.92Å; V135-W138 VanDerWaalsContact O-N 3.13Å; Q136-W138 VanDerWaalsContact C-N 3.3Å; Q136-W138 PolarHBondContact O-N 3.33Å; W138-R140 PolarHBondContact O-N 3.43Å; W138-V141 PolarHBondContact O-N 3.09Å; W138-V141 VanDerWaalsContact O-N 3.1Å; W138-F142 WeakPolarHBondContact O-CD2 3.47Å; W138-F142 PolarHBondContact O-N 3.42Å
139I94.4Very high90.6Very high116 Ų11661.8 Ų61.860%0.59531%0.307SS*.Hα-helixtrans-55.2-45175.1-69.2170.1000110V135 S143V135-I139 HydrophobicContact CG1-CD1 3.7Å; V135-I139 HydrophobicContact CG1-CG1 4.11Å; V135-I139 WeakPolarHBondContact O-CG1 3.4Å; V135-I139 PolarHBondContact O-N 3.42Å; I139-S143 VanDerWaalsContact O-CB 3.29Å; I139-S143 WeakPolarHBondContact O-CB 3.42Å; I139-S143 PolarHBondContact O-N 3.29Å
140R94.4Very high90.5Very high88 Ų8861.3 Ų61.333%0.33230%0.303SS..Hα-helixtrans-60.3-52.3174.8179.1-165.263.485.5-4.7111.1Q136 W138 F142 S143 G146 M148 D152Q136-R140 VanDerWaalsContact O-CB 3.29Å; Q136-R140 WeakPolarHBondContact O-CB 3.42Å; Q136-R140 PolarHBondContact O-N 3.22Å; W138-R140 PolarHBondContact O-N 3.43Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 2.67Å; R140-S143 PolarHBondContact O-N 2.95Å; R140-S143 PolarHBondContact O-OG 2.92Å; R140-G146 PolarHBondContact NH1-O 2.69Å; R140-G146 CarbonylContact O-C 3.49Å; R140-G146 WeakPolarHBondContact O-CA 3.31Å; R140-M148 VanDerWaalsContact NH1-CG 3.27Å; R140-D152 IonicContact CZ-OD2 3.33Å; R140-D152 IonicContact NH1-OD2 2.71Å; R140-D152 PolarHBondContact NH1-OD2 3.27Å; R140-D152 IonicContact NH2-OD1 3.47Å; R140-D152 PolarHBondContact NH2-OD1 2.64Å; R140-D152 IonicContact NH2-OD2 3Å; R140-D152 PolarHBondContact NH2-OD2 3.03Å
141V93.4Very high90.5Very high0 Ų061.7 Ų61.70%030%0.302CS..Hα-helixtrans-61.8-37.8-176.7168.10000111.6L131 A137 W138 D152 L155 Q156L131-V141 HydrophobicContact CD1-CB 4.01Å; L131-V141 HydrophobicContact CD1-CG1 4.34Å; L131-V141 HydrophobicContact CD1-CG2 3.75Å; L131-V141 HydrophobicContact CD2-CG2 3.93Å; A137-V141 WeakPolarHBondContact O-CB 3.41Å; A137-V141 VanDerWaalsContact O-CG2 3.28Å; A137-V141 WeakPolarHBondContact O-CG2 3.37Å; A137-V141 PolarHBondContact O-N 3.41Å; W138-V141 PolarHBondContact O-N 3.09Å; W138-V141 VanDerWaalsContact O-N 3.1Å; V141-D152 HydrophobicContact CG1-CB 4.1Å; V141-D152 HydrophobicContact CG2-CB 3.9Å; V141-D152 VanDerWaalsContact CG2-CG 3.44Å; V141-D152 WeakPolarHBondContact CG2-OD1 3.43Å; V141-L155 HydrophobicContact CG1-CB 4.47Å; V141-Q156 HydrophobicContact CG1-CG 4.16Å; V141-Q156 PolarHBondContact O-NE2 3.29Å
142F93.8Very high90.6Very high90 Ų9060.8 Ų60.840%0.39530%0.297SS..THydrogen-bonded Turntrans-92.97.2-179-69.3-79.1000114.3W138 R140 Q156 V159W138-F142 WeakPolarHBondContact O-CD2 3.47Å; W138-F142 PolarHBondContact O-N 3.42Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 2.67Å; F142-Q156 HydrophobicContact CD1-CG 4.3Å; F142-Q156 HydrophobicContact CE1-CG 4.36Å; F142-V159 HydrophobicContact CE1-CB 4.09Å; F142-V159 HydrophobicContact CE1-CG1 4.01Å; F142-V159 HydrophobicContact CE1-CG2 4.48Å; F142-V159 HydrophobicContact CZ-CB 4.16Å; F142-V159 HydrophobicContact CZ-CG1 4.16Å; F142-V159 HydrophobicContact CZ-CG2 4.05Å
143S92.7Very high90.6Very high50 Ų5060.7 Ų60.735%0.3530%0.295SS..SBendtrans-85.5161.3171.674.60000112I139 R140 H145 G146I139-S143 VanDerWaalsContact O-CB 3.29Å; I139-S143 WeakPolarHBondContact O-CB 3.42Å; I139-S143 PolarHBondContact O-N 3.29Å; R140-S143 PolarHBondContact O-N 2.95Å; R140-S143 PolarHBondContact O-OG 2.92Å; S143-H145 PolarHBondContact O-N 3.24Å; S143-H145 VanDerWaalsContact O-N 3.16Å; S143-G146 PolarHBondContact O-N 3.12Å
144R86.6Confident90.7Very high221 Ų22159.7 Ų59.783%0.83429%0.289SS*.THydrogen-bonded Turntrans-59119.8178.1-164.9-173.4175.3173.5-2.3109.9G146R144-G146 PolarHBondContact O-N 3.11Å
145H83.4Confident90.9Very high156 Ų15656.2 Ų56.272%0.72227%0.27SS*.THydrogen-bonded Turntrans60.218.7-175.6-42.4111000115.4S143S143-H145 PolarHBondContact O-N 3.24Å; S143-H145 VanDerWaalsContact O-N 3.16Å
146G85.2Confident91.1Very high8 Ų855.8 Ų55.88%0.08226%0.263CS..  trans-87.3-3.8-177.600000115.3R140 S143 R144 M148R140-G146 PolarHBondContact NH1-O 2.69Å; R140-G146 CarbonylContact O-C 3.49Å; R140-G146 WeakPolarHBondContact O-CA 3.31Å; S143-G146 PolarHBondContact O-N 3.12Å; R144-G146 PolarHBondContact O-N 3.11Å; G146-M148 WeakPolarHBondContact O-CG 3.19Å; G146-M148 PolarHBondContact O-N 3.39Å
147A87.7Confident91.2Very high17 Ų1749.8 Ų49.814%0.1424%0.238CC..  trans-71.6113.4171.500000110.4D152A147-D152 HydrophobicContact CB-CB 3.77Å
148M85.8Confident91.5Very high62 Ų6249.1 Ų49.131%0.30523%0.232SC..  trans-109-0-173.3-60.5-63-67.500112.7R140 G146 D152 Y216 K217R140-M148 VanDerWaalsContact NH1-CG 3.27Å; G146-M148 WeakPolarHBondContact O-CG 3.19Å; G146-M148 PolarHBondContact O-N 3.39Å; M148-D152 PolarHBondContact N-OD2 3.33Å; M148-Y216 WeakPolarHBondContact O-CA 3.32Å; M148-Y216 VanDerWaalsContact O-CB 3.23Å; M148-Y216 WeakPolarHBondContact O-CB 3.39Å; M148-Y216 WeakPolarHBondContact O-CD1 3.43Å; M148-K217 HydrophobicContact CE-CB 4.28Å; M148-K217 HydrophobicContact CE-CD 3.6Å; M148-K217 HydrophobicContact CE-CG 3.62Å
149S87.9Confident91.6Very high36 Ų3647.9 Ų47.925%0.25223%0.23SC..SBendtrans-143.4163.8179.274.30000112.2W151 D152 T153 Y216S149-W151 PolarHBondContact O-N 3.48Å; S149-W151 PolarHBondContact OG-N 2.92Å; S149-D152 PolarHBondContact N-OD2 2.88Å; S149-D152 PolarHBondContact O-N 3.23Å; S149-D152 PolarHBondContact OG-N 3.4Å; S149-D152 PolarHBondContact OG-OD1 2.89Å; S149-T153 PolarHBondContact O-N 3.17Å; S149-T153 VanDerWaalsContact O-N 3.12Å; S149-T153 PolarHBondContact O-OG1 3.47Å; S149-Y216 VanDerWaalsContact C-CE2 3.43Å; S149-Y216 VanDerWaalsContact C-CZ 3.45Å; S149-Y216 WeakPolarHBondContact O-CE1 3.28Å
150V88.8Confident91.8Very high0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-53.5-43.2172.4173.40000110.2W2 E5 I6 M9 T153 S154 I207 Y216W2-V150 HydrophobicContact CE3-CG2 3.85Å; W2-V150 HydrophobicContact CZ3-CG2 3.96Å; E5-V150 HydrophobicContact CB-CG2 4.32Å; I6-V150 HydrophobicContact CG1-CG1 4.37Å; M9-V150 HydrophobicContact CB-CG1 4.41Å; M9-V150 HydrophobicContact CE-CG1 3.45Å; M9-V150 VanDerWaalsContact CE-CG1 3.45Å; M9-V150 HydrophobicContact SD-CG1 3.59Å; M9-V150 VanDerWaalsContact SD-CG1 3.59Å; V150-T153 PolarHBondContact O-N 3.2Å; V150-S154 WeakPolarHBondContact O-CB 3.46Å; V150-S154 PolarHBondContact O-N 2.93Å; V150-I207 HydrophobicContact CG1-CD1 3.98Å; V150-I207 HydrophobicContact CG1-CG2 4.42Å; V150-I207 HydrophobicContact CG2-CG2 4.44Å; V150-I207 WeakPolarHBondContact O-CD1 3.4Å; V150-Y216 VanDerWaalsContact CA-CE2 3.45Å; V150-Y216 HydrophobicContact CB-CE2 4.07Å; V150-Y216 HydrophobicContact CG2-CD2 3.76Å; V150-Y216 HydrophobicContact CG2-CE2 3.48Å; V150-Y216 VanDerWaalsContact CG2-CE2 3.48Å; V150-Y216 VanDerWaalsContact N-CD2 3.34Å
151W89Confident92Very high34 Ų3441.5 Ų41.513%0.12921%0.213CC..Hα-helixtrans-69.4-37.4179.7-67.4102.5000113.2M9 V130 S149 T153 S154 L155M9-W151 HydrophobicContact CB-CH2 4.06Å; M9-W151 HydrophobicContact CB-CZ2 4.16Å; M9-W151 HydrophobicContact CB-CZ3 4.33Å; M9-W151 HydrophobicContact CG-CE3 4.49Å; M9-W151 HydrophobicContact CG-CH2 4.45Å; M9-W151 HydrophobicContact CG-CZ3 4.23Å; V130-W151 HydrophobicContact CG1-CB 4.21Å; S149-W151 PolarHBondContact O-N 3.48Å; S149-W151 PolarHBondContact OG-N 2.92Å; W151-T153 VanDerWaalsContact C-N 3.34Å; W151-S154 WeakPolarHBondContact O-CB 3.33Å; W151-S154 PolarHBondContact O-N 3.35Å; W151-L155 WeakPolarHBondContact O-CG 3.43Å; W151-L155 PolarHBondContact O-N 3.44Å
152D92Very high92.2Very high8 Ų841.5 Ų41.54%0.04321%0.213CC..Hα-helixtrans-62.1-44.4175.5-67.8-9.3000110.9R140 V141 A147 M148 S149 L155 Q156R140-D152 IonicContact CZ-OD2 3.33Å; R140-D152 IonicContact NH1-OD2 2.71Å; R140-D152 PolarHBondContact NH1-OD2 3.27Å; R140-D152 IonicContact NH2-OD1 3.47Å; R140-D152 PolarHBondContact NH2-OD1 2.64Å; R140-D152 IonicContact NH2-OD2 3Å; R140-D152 PolarHBondContact NH2-OD2 3.03Å; V141-D152 HydrophobicContact CG1-CB 4.1Å; V141-D152 HydrophobicContact CG2-CB 3.9Å; V141-D152 VanDerWaalsContact CG2-CG 3.44Å; V141-D152 WeakPolarHBondContact CG2-OD1 3.43Å; A147-D152 HydrophobicContact CB-CB 3.77Å; M148-D152 PolarHBondContact N-OD2 3.33Å; S149-D152 PolarHBondContact N-OD2 2.88Å; S149-D152 PolarHBondContact O-N 3.23Å; S149-D152 PolarHBondContact OG-N 3.4Å; S149-D152 PolarHBondContact OG-OD1 2.89Å; D152-L155 WeakPolarHBondContact O-CB 3.43Å; D152-L155 PolarHBondContact O-N 3.02Å; D152-Q156 PolarHBondContact O-N 3.01Å; D152-Q156 VanDerWaalsContact O-N 3.11Å
153T92.1Very high92.5Very high5 Ų540 Ų403%0.03121%0.212CC..Hα-helixtrans-67.2-40.8178.6-580000110.9S149 V150 W151 L155 Q156 V157 W206 I207 Y216S149-T153 PolarHBondContact O-N 3.17Å; S149-T153 VanDerWaalsContact O-N 3.12Å; S149-T153 PolarHBondContact O-OG1 3.47Å; V150-T153 PolarHBondContact O-N 3.2Å; W151-T153 VanDerWaalsContact C-N 3.34Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 PolarHBondContact O-N 3.16Å; T153-Q156 PolarHBondContact O-N 3.3Å; T153-V157 WeakPolarHBondContact O-CG2 3.35Å; T153-V157 PolarHBondContact O-N 3Å; T153-W206 HydrophobicContact CG2-CE3 3.77Å; T153-W206 HydrophobicContact CG2-CH2 4.41Å; T153-W206 HydrophobicContact CG2-CZ3 3.47Å; T153-W206 VanDerWaalsContact CG2-CZ3 3.47Å; T153-I207 HydrophobicContact CG2-CD1 3.87Å; T153-I207 HydrophobicContact CG2-CG1 3.77Å; T153-Y216 VanDerWaalsContact CB-OH 3.31Å; T153-Y216 WeakPolarHBondContact CB-OH 3.46Å; T153-Y216 PolarHBondContact OG1-OH 3.16Å
154S93.8Very high92.7Very high0 Ų041.2 Ų41.20%022%0.217CC..Hα-helixtrans-58.2-43.4173.7-179.30000112.5M9 H13 R126 V150 W151 V157 V158M9-S154 WeakPolarHBondContact SD-CB 3.48Å; H13-S154 PolarHBondContact CE1-OG 3.35Å; H13-S154 PolarHBondContact NE2-OG 3.45Å; R126-S154 PolarHBondContact NH2-OG 2.77Å; V150-S154 WeakPolarHBondContact O-CB 3.46Å; V150-S154 PolarHBondContact O-N 2.93Å; W151-S154 WeakPolarHBondContact O-CB 3.33Å; W151-S154 PolarHBondContact O-N 3.35Å; S154-V157 PolarHBondContact O-N 2.87Å; S154-V158 WeakPolarHBondContact O-CB 3.29Å; S154-V158 WeakPolarHBondContact O-CG2 3.27Å; S154-V158 PolarHBondContact O-N 2.86Å
155L94.9Very high93.3Very high1 Ų131.1 Ų31.11%0.00518%0.182CC..Hα-helixtrans-59.3-48.4174.5-74171.6000111.7R126 V130 L131 V141 W151 D152 T153 V157 V158 V159R126-L155 HydrophobicContact CB-CD2 4.09Å; R126-L155 HydrophobicContact CG-CD2 3.62Å; V130-L155 HydrophobicContact CB-CD1 3.98Å; V130-L155 HydrophobicContact CB-CD2 4.42Å; V130-L155 HydrophobicContact CG1-CD1 3.85Å; V130-L155 HydrophobicContact CG2-CD2 4.27Å; L131-L155 HydrophobicContact CD1-CD1 3.79Å; L131-L155 HydrophobicContact CD2-CD1 4.02Å; L131-L155 HydrophobicContact CG-CD1 3.71Å; V141-L155 HydrophobicContact CG1-CB 4.47Å; W151-L155 WeakPolarHBondContact O-CG 3.43Å; W151-L155 PolarHBondContact O-N 3.44Å; D152-L155 WeakPolarHBondContact O-CB 3.43Å; D152-L155 PolarHBondContact O-N 3.02Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 PolarHBondContact O-N 3.16Å; L155-V157 PolarHBondContact O-N 2.88Å; L155-V158 PolarHBondContact O-N 3.33Å; L155-V159 WeakPolarHBondContact O-CB 3.4Å; L155-V159 WeakPolarHBondContact O-CG2 3.46Å; L155-V159 PolarHBondContact O-N 3.26Å
156Q95.8Very high94Very high60 Ų6024.3 Ų24.328%0.2815%0.152SC..Hα-helixtrans-56.9-49.4178.7-71.4-178.2-32.800111.8V141 F142 D152 T153 G160V141-Q156 HydrophobicContact CG1-CG 4.16Å; V141-Q156 PolarHBondContact O-NE2 3.29Å; F142-Q156 HydrophobicContact CD1-CG 4.3Å; F142-Q156 HydrophobicContact CE1-CG 4.36Å; D152-Q156 PolarHBondContact O-N 3.01Å; D152-Q156 VanDerWaalsContact O-N 3.11Å; T153-Q156 PolarHBondContact O-N 3.3Å; Q156-G160 PolarHBondContact O-N 3.1Å
157V96.6Very high94.6Very high33 Ų3330.1 Ų30.120%0.217%0.171CC..Hα-helixtrans-65-49.1-178.1173.20000110.8T153 S154 L155 G160 C161 A202 A203T153-V157 WeakPolarHBondContact O-CG2 3.35Å; T153-V157 PolarHBondContact O-N 3Å; S154-V157 PolarHBondContact O-N 2.87Å; L155-V157 PolarHBondContact O-N 2.88Å; V157-G160 PolarHBondContact O-N 3.03Å; V157-C161 WeakPolarHBondContact O-CB 3.5Å; V157-C161 PolarHBondContact O-N 3.26Å; V157-C161 PolarHBondContact O-SG 3Å; V157-A202 HydrophobicContact CG1-CB 4.13Å; V157-A203 HydrophobicContact CB-CB 4.01Å; V157-A203 HydrophobicContact CG1-CB 3.95Å
158V97.8Very high95Very high0 Ų033.3 Ų33.30%019%0.186CC..Hα-helixtrans-65.8-44.2-177.3174.90000111.6S154 L155 S162 Y196 L200S154-V158 WeakPolarHBondContact O-CB 3.29Å; S154-V158 WeakPolarHBondContact O-CG2 3.27Å; S154-V158 PolarHBondContact O-N 2.86Å; L155-V158 PolarHBondContact O-N 3.33Å; V158-S162 WeakPolarHBondContact O-CB 3.33Å; V158-S162 PolarHBondContact O-N 2.94Å; V158-S162 PolarHBondContact O-OG 2.89Å; V158-Y196 HydrophobicContact CG1-CD2 3.47Å; V158-Y196 VanDerWaalsContact CG1-CD2 3.47Å; V158-Y196 HydrophobicContact CG1-CE2 3.53Å; V158-Y196 HydrophobicContact CG1-CG 4.44Å; V158-L200 HydrophobicContact CG1-CD2 4.4Å; V158-L200 HydrophobicContact CG2-CD2 4.05Å
159V98.1Very high95.6Very high21 Ų2130.7 Ų30.713%0.12718%0.175CC..Hα-helixtrans-64-47.9177.61700000110.4T123 F142 L155 S162 V163T123-V159 HydrophobicContact CG2-CB 4.4Å; T123-V159 HydrophobicContact CG2-CG1 4Å; T123-V159 HydrophobicContact CG2-CG2 4.37Å; F142-V159 HydrophobicContact CE1-CB 4.09Å; F142-V159 HydrophobicContact CE1-CG1 4.01Å; F142-V159 HydrophobicContact CE1-CG2 4.48Å; F142-V159 HydrophobicContact CZ-CB 4.16Å; F142-V159 HydrophobicContact CZ-CG1 4.16Å; F142-V159 HydrophobicContact CZ-CG2 4.05Å; L155-V159 WeakPolarHBondContact O-CB 3.4Å; L155-V159 WeakPolarHBondContact O-CG2 3.46Å; L155-V159 PolarHBondContact O-N 3.26Å; V159-S162 PolarHBondContact O-N 2.93Å; V159-V163 WeakPolarHBondContact O-CG2 3.29Å; V159-V163 PolarHBondContact O-N 3.42Å
160G98Very high95.9Very high33 Ų3330.6 Ų30.634%0.3418%0.176SC..Hα-helixtrans-58.5-50.7178.100000112.2Q156 V157 S162 V163 V164Q156-G160 PolarHBondContact O-N 3.1Å; V157-G160 PolarHBondContact O-N 3.03Å; G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 2.8Å; G160-V163 PolarHBondContact O-N 3.49Å; G160-V164 WeakPolarHBondContact O-CB 3.16Å; G160-V164 VanDerWaalsContact O-CG2 3.27Å; G160-V164 WeakPolarHBondContact O-CG2 3.35Å; G160-V164 PolarHBondContact O-N 3.43Å
161C98.6Very high96.1Very high36 Ų3635.8 Ų35.824%0.24320%0.199CC..Hα-helixtrans-62.3-37.4178.5-670000112.4V157 G165 G195V157-C161 WeakPolarHBondContact O-CB 3.5Å; V157-C161 PolarHBondContact O-N 3.26Å; V157-C161 PolarHBondContact O-SG 3Å; C161-G165 PolarHBondContact O-N 2.7Å; C161-G195 WeakPolarHBondContact CB-O 3.29Å; C161-G195 WeakPolarHBondContact O-CA 3.47Å
162S98.6Very high96.3Very high0 Ų035.5 Ų35.50%020%0.202CC..Hα-helixtrans-64.7-46.5177.7-540000111.9V158 V159 G160 G165 A166 Y196V158-S162 WeakPolarHBondContact O-CB 3.33Å; V158-S162 PolarHBondContact O-N 2.94Å; V158-S162 PolarHBondContact O-OG 2.89Å; V159-S162 PolarHBondContact O-N 2.93Å; G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 2.8Å; S162-G165 PolarHBondContact O-N 3.26Å; S162-A166 PolarHBondContact O-N 3.46Å; S162-Y196 VanDerWaalsContact OG-CA 3.31Å; S162-Y196 WeakPolarHBondContact OG-CA 3.29Å; S162-Y196 WeakPolarHBondContact OG-CB 3.44Å
163V98.4Very high96.3Very high60 Ų6037.8 Ų37.836%0.36421%0.213SC..Hα-helixtrans-68.2-45.5179.5174.50000111F94 T123 V159 G160 G165 A166 W167F94-V163 HydrophobicContact CE1-CG2 4.25Å; F94-V163 HydrophobicContact CZ-CG2 4.36Å; T123-V163 HydrophobicContact CG2-CG2 4.08Å; V159-V163 WeakPolarHBondContact O-CG2 3.29Å; V159-V163 PolarHBondContact O-N 3.42Å; G160-V163 PolarHBondContact O-N 3.49Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.08Å; V163-A166 PolarHBondContact O-N 3.32Å; V163-W167 WeakPolarHBondContact O-CB 3.49Å; V163-W167 PolarHBondContact O-N 2.91Å
164V98.5Very high96.3Very high75 Ų7542.9 Ų42.946%0.45525%0.246SC..Hα-helixtrans-61.4-42.5176170.40000110.5G160 A166 W167 L168G160-V164 WeakPolarHBondContact O-CB 3.16Å; G160-V164 VanDerWaalsContact O-CG2 3.27Å; G160-V164 WeakPolarHBondContact O-CG2 3.35Å; G160-V164 PolarHBondContact O-N 3.43Å; V164-A166 PolarHBondContact O-N 2.88Å; V164-W167 PolarHBondContact O-N 3.33Å; V164-L168 HydrophobicContact CG1-CD1 3.97Å; V164-L168 HydrophobicContact CG1-CG 4.18Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 VanDerWaalsContact O-CG 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.21Å; V164-L168 PolarHBondContact O-N 2.85Å
165G98.6Very high96.2Very high9 Ų947.4 Ų47.49%0.09327%0.27CS..Hα-helixtrans-59.8-44.3176.300000112.4C161 S162 V163 W167 L168 G169 G191C161-G165 PolarHBondContact O-N 2.7Å; S162-G165 PolarHBondContact O-N 3.26Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.08Å; G165-W167 PolarHBondContact O-N 2.98Å; G165-L168 PolarHBondContact O-N 2.91Å; G165-G169 PolarHBondContact O-N 3.42Å; G165-G191 CarbonylContact C-O 3.29Å; G165-G191 VanDerWaalsContact C-O 3.29Å; G165-G191 VanDerWaalsContact CA-O 3.24Å; G165-G191 WeakPolarHBondContact CA-O 3.22Å; G165-G191 CarbonylContact O-C 3.57Å; G165-G191 VanDerWaalsContact O-C 3.3Å; G165-G191 VanDerWaalsContact O-CA 3.22Å; G165-G191 WeakPolarHBondContact O-CA 3.36Å
166A98.2Very high95.6Very high12 Ų1252.6 Ų52.610%0.09930%0.298CS..Hα-helixtrans-61.9-43.7175.700000112.2L119 S162 V163 V164 G169 A170 A192L119-A166 HydrophobicContact CD2-CB 3.72Å; S162-A166 PolarHBondContact O-N 3.46Å; V163-A166 PolarHBondContact O-N 3.32Å; V164-A166 PolarHBondContact O-N 2.88Å; A166-G169 PolarHBondContact O-N 3.32Å; A166-A170 PolarHBondContact O-N 2.88Å; A166-A192 HydrophobicContact CB-CB 3.77Å
167W97.3Very high95.4Very high130 Ų13056.7 Ų56.749%0.49231%0.311SS..Hα-helixtrans-63.3-44.7177.1176.871.5000112.3V163 V164 G165 G169 A170 F171V163-W167 WeakPolarHBondContact O-CB 3.49Å; V163-W167 PolarHBondContact O-N 2.91Å; V164-W167 PolarHBondContact O-N 3.33Å; G165-W167 PolarHBondContact O-N 2.98Å; W167-G169 PolarHBondContact O-N 3.39Å; W167-A170 VanDerWaalsContact O-CB 3.26Å; W167-A170 WeakPolarHBondContact O-CB 3.3Å; W167-A170 PolarHBondContact O-N 3.5Å; W167-F171 HydrophobicContact CD2-CZ 4.35Å; W167-F171 AromaticContact CE2-CZ 3.99Å; W167-F171 HydrophobicContact CE3-CZ 4.21Å; W167-F171 HydrophobicContact CH2-CE1 4.24Å; W167-F171 HydrophobicContact CH2-CE2 4.25Å; W167-F171 AromaticContact CH2-CZ 3.43Å; W167-F171 HydrophobicContact CH2-CZ 3.43Å; W167-F171 VanDerWaalsContact CH2-CZ 3.43Å; W167-F171 AromaticContact CZ2-CE1 3.89Å; W167-F171 HydrophobicContact CZ2-CE1 3.89Å; W167-F171 AromaticContact CZ2-CZ 3.55Å; W167-F171 HydrophobicContact CZ2-CZ 3.55Å; W167-F171 HydrophobicContact CZ3-CE2 4.22Å; W167-F171 AromaticContact CZ3-CZ 3.77Å; W167-F171 HydrophobicContact CZ3-CZ 3.77Å
168L97.4Very high95.1Very high84 Ų8461.7 Ų61.744%0.4434%0.336SS..Hα-helixtrans-62.2-33.5173.5-69.4177000111.9V164 G165 A170 F171 P172V164-L168 HydrophobicContact CG1-CD1 3.97Å; V164-L168 HydrophobicContact CG1-CG 4.18Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 VanDerWaalsContact O-CG 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.21Å; V164-L168 PolarHBondContact O-N 2.85Å; G165-L168 PolarHBondContact O-N 2.91Å; L168-A170 PolarHBondContact O-N 3.3Å; L168-F171 HydrophobicContact CD2-CD2 3.87Å; L168-F171 HydrophobicContact CD2-CE2 3.46Å; L168-F171 VanDerWaalsContact CD2-CE2 3.46Å; L168-F171 HydrophobicContact CD2-CZ 4.28Å; L168-F171 WeakPolarHBondContact O-CB 3.37Å; L168-F171 PolarHBondContact O-N 3.04Å; L168-F171 VanDerWaalsContact O-N 3.1Å; L168-P172 WeakPolarHBondContact O-CD 3.19Å
169G96.7Very high94.9Very high8 Ų868.7 Ų68.78%0.08236%0.363CS..THydrogen-bonded Turntrans-64.1-14.7173.700000114.1G165 A166 W167 P172 S187G165-G169 PolarHBondContact O-N 3.42Å; A166-G169 PolarHBondContact O-N 3.32Å; W167-G169 PolarHBondContact O-N 3.39Å; G169-P172 WeakPolarHBondContact O-CD 3.45Å; G169-S187 CarbonylContact O-C 3.33Å; G169-S187 WeakPolarHBondContact O-CB 3.48Å; G169-S187 PolarHBondContact O-OG 2.92Å
170A94.8Very high94.7Very high34 Ų3471.3 Ų71.328%0.28138%0.38SS..THydrogen-bonded Turntrans-78.5-26.5172.600000112.6A166 W167 L168 I173 P174A166-A170 PolarHBondContact O-N 2.88Å; W167-A170 VanDerWaalsContact O-CB 3.26Å; W167-A170 WeakPolarHBondContact O-CB 3.3Å; W167-A170 PolarHBondContact O-N 3.5Å; L168-A170 PolarHBondContact O-N 3.3Å; A170-I173 WeakPolarHBondContact O-CB 3.21Å; A170-I173 WeakPolarHBondContact O-CG1 3.35Å; A170-I173 PolarHBondContact O-N 3.46Å; A170-I173 VanDerWaalsContact O-N 3.14Å; A170-P174 WeakPolarHBondContact O-CD 3.41Å
171F93.9Very high94.5Very high109 Ų10973.2 Ų73.248%0.47838%0.377SS..THydrogen-bonded Turntrans-62-35.1-175.9-66.6-16.5000115.4W167 L168 I173 P174W167-F171 HydrophobicContact CD2-CZ 4.35Å; W167-F171 AromaticContact CE2-CZ 3.99Å; W167-F171 HydrophobicContact CE3-CZ 4.21Å; W167-F171 HydrophobicContact CH2-CE1 4.24Å; W167-F171 HydrophobicContact CH2-CE2 4.25Å; W167-F171 AromaticContact CH2-CZ 3.43Å; W167-F171 HydrophobicContact CH2-CZ 3.43Å; W167-F171 VanDerWaalsContact CH2-CZ 3.43Å; W167-F171 AromaticContact CZ2-CE1 3.89Å; W167-F171 HydrophobicContact CZ2-CE1 3.89Å; W167-F171 AromaticContact CZ2-CZ 3.55Å; W167-F171 HydrophobicContact CZ2-CZ 3.55Å; W167-F171 HydrophobicContact CZ3-CE2 4.22Å; W167-F171 AromaticContact CZ3-CZ 3.77Å; W167-F171 HydrophobicContact CZ3-CZ 3.77Å; L168-F171 HydrophobicContact CD2-CD2 3.87Å; L168-F171 HydrophobicContact CD2-CE2 3.46Å; L168-F171 VanDerWaalsContact CD2-CE2 3.46Å; L168-F171 HydrophobicContact CD2-CZ 4.28Å; L168-F171 WeakPolarHBondContact O-CB 3.37Å; L168-F171 PolarHBondContact O-N 3.04Å; L168-F171 VanDerWaalsContact O-N 3.1Å; F171-I173 PolarHBondContact O-N 3.22Å; F171-P174 VanDerWaalsContact O-CD 3.29Å; F171-P174 WeakPolarHBondContact O-CD 3.35Å
172P93.1Very high94.4Very high28 Ų2872 Ų7218%0.18237%0.368CS..THydrogen-bonded Turntrans-72.1-14.3176.7-22.535.3000114.6L168 G169 L175 W181 Q182L168-P172 WeakPolarHBondContact O-CD 3.19Å; G169-P172 WeakPolarHBondContact O-CD 3.45Å; P172-L175 PolarHBondContact O-N 3.2Å; P172-W181 HydrophobicContact CB-CH2 3.98Å; P172-W181 HydrophobicContact CB-CZ3 3.49Å; P172-W181 VanDerWaalsContact CB-CZ3 3.49Å; P172-W181 HydrophobicContact CG-CZ3 4.09Å; P172-Q182 HydrophobicContact CB-CG 4.28Å; P172-Q182 PolarHBondContact O-NE2 3.47Å
173I92.3Very high94.1Very high56 Ų5675.9 Ų75.929%0.28739%0.391SS..SBendtrans-64.7-50.3-175.6-55.6173000110.7A170 F171 L175 D176 W184 S187A170-I173 WeakPolarHBondContact O-CB 3.21Å; A170-I173 WeakPolarHBondContact O-CG1 3.35Å; A170-I173 PolarHBondContact O-N 3.46Å; A170-I173 VanDerWaalsContact O-N 3.14Å; F171-I173 PolarHBondContact O-N 3.22Å; I173-L175 PolarHBondContact O-N 3.42Å; I173-D176 PolarHBondContact O-N 2.95Å; I173-W184 HydrophobicContact CD1-CE3 3.8Å; I173-W184 HydrophobicContact CD1-CZ3 4.16Å; I173-S187 WeakPolarHBondContact CG1-OG 3.28Å
174P91.2Very high93.9Very high111 Ų11175.2 Ų75.272%0.72138%0.382SS*.THydrogen-bonded Turntrans-72.5-11.3179.4-17.833.9000114.5A170 F171A170-P174 WeakPolarHBondContact O-CD 3.41Å; F171-P174 VanDerWaalsContact O-CD 3.29Å; F171-P174 WeakPolarHBondContact O-CD 3.35Å
175L90.6Very high93.8Very high95 Ų9571.7 Ų71.750%0.49736%0.361SS..THydrogen-bonded Turntrans-74.6-17.8176.1-64.6178.9000112.4P172 I173 W177P172-L175 PolarHBondContact O-N 3.2Å; I173-L175 PolarHBondContact O-N 3.42Å; L175-W177 HydrophobicContact CB-CD2 4.49Å; L175-W177 HydrophobicContact CB-CZ2 4.44Å; L175-W177 HydrophobicContact CD1-CH2 4.1Å; L175-W177 HydrophobicContact CD1-CZ2 3.68Å; L175-W177 VanDerWaalsContact O-CD1 3.29Å; L175-W177 PolarHBondContact O-N 3Å
176D82.7Confident93.7Very high110 Ų11071.3 Ų71.359%0.58836%0.357SS*.  trans42.262.4170.8-155.920.3000113.4I173 D178I173-D176 PolarHBondContact O-N 2.95Å; D176-D178 PolarHBondContact O-N 2.71Å
177W91.1Very high93.7Very high146 Ų14671.1 Ų71.155%0.55335%0.354SS*.  trans-84.213.3177.3-61.6-27.3000111.7L175 R179 W181 Q182L175-W177 HydrophobicContact CB-CD2 4.49Å; L175-W177 HydrophobicContact CB-CZ2 4.44Å; L175-W177 HydrophobicContact CD1-CH2 4.1Å; L175-W177 HydrophobicContact CD1-CZ2 3.68Å; L175-W177 VanDerWaalsContact O-CD1 3.29Å; L175-W177 PolarHBondContact O-N 3Å; W177-R179 HydrophobicContact CB-CG 4.07Å; W177-R179 WeakPolarHBondContact O-CD 3.41Å; W177-R179 VanDerWaalsContact O-CG 3.3Å; W177-R179 WeakPolarHBondContact O-CG 3.35Å; W177-R179 PolarHBondContact O-N 3.02Å; W177-R179 PolarHBondContact O-NE 3.18Å; W177-W181 AromaticContact CE3-CH2 3.34Å; W177-W181 HydrophobicContact CE3-CH2 3.34Å; W177-W181 AromaticContact CE3-CZ2 3.43Å; W177-W181 HydrophobicContact CE3-CZ2 3.43Å; W177-W181 VanDerWaalsContact CE3-CZ2 3.43Å; W177-W181 AromaticContact CZ3-CH2 3.44Å; W177-W181 HydrophobicContact CZ3-CH2 3.44Å; W177-W181 VanDerWaalsContact CZ3-CH2 3.44Å; W177-W181 AromaticContact CZ3-CZ2 3.78Å; W177-W181 HydrophobicContact CZ3-CZ2 3.78Å; W177-Q182 VanDerWaalsContact CA-OE1 3.24Å; W177-Q182 VanDerWaalsContact CB-OE1 3.28Å; W177-Q182 VanDerWaalsContact N-NE2 3.15Å
178D90.6Very high93.7Very high138 Ų13865.1 Ų65.174%0.73833%0.332SS*.  trans50.636.7-176.3-69.8-53.4000113.4D176D176-D178 PolarHBondContact O-N 2.71Å
179R94.9Very high93.7Very high148 Ų14861.2 Ų61.256%0.55831%0.312SS*.  trans-102.8142.5-178.9-58.6-48.8-177.6171.8-1.8112.4W177 W181 Q182W177-R179 HydrophobicContact CB-CG 4.07Å; W177-R179 WeakPolarHBondContact O-CD 3.41Å; W177-R179 VanDerWaalsContact O-CG 3.3Å; W177-R179 WeakPolarHBondContact O-CG 3.35Å; W177-R179 PolarHBondContact O-N 3.02Å; W177-R179 PolarHBondContact O-NE 3.18Å; R179-W181 HydrophobicContact CB-CD2 4.16Å; R179-W181 HydrophobicContact CB-CG 4.13Å; R179-W181 HydrophobicContact CB-CZ2 4.16Å; R179-W181 HydrophobicContact CG-CZ2 4.22Å; R179-W181 PolarHBondContact O-N 3.31Å; R179-Q182 VanDerWaalsContact N-OE1 3.15Å; R179-Q182 WeakPolarHBondContact O-CB 3.43Å; R179-Q182 PolarHBondContact O-N 3.18Å
180P94.3Very high93.8Very high75 Ų7562.6 Ų62.649%0.48732%0.318SS..THydrogen-bonded Turntrans-62.7-20.1-178.426.4-36.2000113.5Y37Y37-P180 HydrophobicContact CD2-CB 4.49Å; Y37-P180 HydrophobicContact CD2-CG 4.17Å
181W93.8Very high94Very high73 Ų7361.6 Ų61.628%0.27731%0.311SS..THydrogen-bonded Turntrans-81.3-12.3176.160.4-103.2000113.6Y37 P172 W177 R179 S187 L190Y37-W181 HydrophobicContact CD1-CB 4.1Å; Y37-W181 HydrophobicContact CE1-CB 3.85Å; Y37-W181 HydrophobicContact CE2-CB 4.35Å; Y37-W181 HydrophobicContact CG-CB 4.47Å; P172-W181 HydrophobicContact CB-CH2 3.98Å; P172-W181 HydrophobicContact CB-CZ3 3.49Å; P172-W181 VanDerWaalsContact CB-CZ3 3.49Å; P172-W181 HydrophobicContact CG-CZ3 4.09Å; W177-W181 AromaticContact CE3-CH2 3.34Å; W177-W181 HydrophobicContact CE3-CH2 3.34Å; W177-W181 AromaticContact CE3-CZ2 3.43Å; W177-W181 HydrophobicContact CE3-CZ2 3.43Å; W177-W181 VanDerWaalsContact CE3-CZ2 3.43Å; W177-W181 AromaticContact CZ3-CH2 3.44Å; W177-W181 HydrophobicContact CZ3-CH2 3.44Å; W177-W181 VanDerWaalsContact CZ3-CH2 3.44Å; W177-W181 AromaticContact CZ3-CZ2 3.78Å; W177-W181 HydrophobicContact CZ3-CZ2 3.78Å; R179-W181 HydrophobicContact CB-CD2 4.16Å; R179-W181 HydrophobicContact CB-CG 4.13Å; R179-W181 HydrophobicContact CB-CZ2 4.16Å; R179-W181 HydrophobicContact CG-CZ2 4.22Å; R179-W181 PolarHBondContact O-N 3.31Å; W181-S187 WeakPolarHBondContact O-CA 3.23Å; W181-S187 VanDerWaalsContact O-CB 3.26Å; W181-S187 WeakPolarHBondContact O-CB 3.45Å; W181-S187 PolarHBondContact O-N 3.01Å; W181-S187 VanDerWaalsContact O-N 3.17Å; W181-L190 HydrophobicContact CB-CD1 4.42Å
182Q95.1Very high94.2Very high11 Ų1156.4 Ų56.45%0.05129%0.288CS..THydrogen-bonded Turntrans-86.4-16.1174-71.7172-54.200113.2P172 W177 R179 W184P172-Q182 HydrophobicContact CB-CG 4.28Å; P172-Q182 PolarHBondContact O-NE2 3.47Å; W177-Q182 VanDerWaalsContact CA-OE1 3.24Å; W177-Q182 VanDerWaalsContact CB-OE1 3.28Å; W177-Q182 VanDerWaalsContact N-NE2 3.15Å; R179-Q182 VanDerWaalsContact N-OE1 3.15Å; R179-Q182 WeakPolarHBondContact O-CB 3.43Å; R179-Q182 PolarHBondContact O-N 3.18Å; Q182-W184 PolarHBondContact O-N 3.11Å
183V92.9Very high94.5Very high81 Ų8155.6 Ų55.649%0.49128%0.282SS..SBendtrans-60.1137.5-178.2178.10000110.2V186V183-V186 HydrophobicContact CB-CG2 4.4Å; V183-V186 WeakPolarHBondContact O-CA 3.5Å; V183-V186 WeakPolarHBondContact O-CB 3.5Å; V183-V186 WeakPolarHBondContact O-CG2 3.41Å; V183-V186 PolarHBondContact O-N 2.8Å
184W94.3Very high94.8Very high47 Ų4757.9 Ų57.918%0.17829%0.294CS..THydrogen-bonded Turntrans-63.8132.8175.3-179.1-103.2000111.1V98 A103 T112 L115 I173 Q182 C188V98-W184 HydrophobicContact CG1-CH2 3.35Å; V98-W184 HydrophobicContact CG1-CZ2 3.45Å; V98-W184 VanDerWaalsContact CG1-CZ2 3.45Å; A103-W184 HydrophobicContact CB-CH2 3.8Å; A103-W184 HydrophobicContact CB-CZ2 3.46Å; A103-W184 VanDerWaalsContact CB-CZ2 3.46Å; T112-W184 HydrophobicContact CG2-CZ2 4.27Å; T112-W184 PolarHBondContact OG1-NE1 2.88Å; L115-W184 HydrophobicContact CD2-CH2 3.51Å; L115-W184 HydrophobicContact CD2-CZ2 3.81Å; L115-W184 HydrophobicContact CD2-CZ3 4.3Å; I173-W184 HydrophobicContact CD1-CE3 3.8Å; I173-W184 HydrophobicContact CD1-CZ3 4.16Å; Q182-W184 PolarHBondContact O-N 3.11Å; W184-C188 HydrophobicContact CZ3-CB 4.39Å; W184-C188 VanDerWaalsContact CZ3-SG 3.59Å
185P95.9Very high95.1Very high0 Ų052.9 Ų52.90%026%0.262CS..THydrogen-bonded Turncis-103.924.2-0.340.4-28.6000111.9E111 L115 S187 C188 S189E111-P185 HydrophobicContact CB-CG 3.92Å; L115-P185 HydrophobicContact CB-CB 4.06Å; L115-P185 HydrophobicContact CD2-CB 4.17Å; P185-S187 PolarHBondContact O-N 3.32Å; P185-C188 PolarHBondContact O-N 3.36Å; P185-S189 WeakPolarHBondContact O-CB 3.37Å; P185-S189 PolarHBondContact O-N 2.89Å; P185-S189 PolarHBondContact O-OG 3.24Å
186V97Very high95.5Very high2 Ų248.4 Ų48.41%0.01224%0.239CC..Hα-helixtrans-58.9-51.5-168.3-176.80000111.5Y37 H40 V183 C188 S189 L190Y37-V186 HydrophobicContact CD1-CG1 3.72Å; Y37-V186 HydrophobicContact CE1-CG1 4.41Å; H40-V186 HydrophobicContact CB-CG2 3.66Å; V183-V186 HydrophobicContact CB-CG2 4.4Å; V183-V186 WeakPolarHBondContact O-CA 3.5Å; V183-V186 WeakPolarHBondContact O-CB 3.5Å; V183-V186 WeakPolarHBondContact O-CG2 3.41Å; V183-V186 PolarHBondContact O-N 2.8Å; V186-C188 PolarHBondContact O-N 3.45Å; V186-S189 PolarHBondContact O-N 3.1Å; V186-L190 HydrophobicContact CG1-CD1 3.9Å; V186-L190 HydrophobicContact CG1-CG 4.44Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 2.97Å
187S97Very high96.3Very high7 Ų745.9 Ų45.95%0.04923%0.225CC..Hα-helixtrans-60.6-45.4-179.161.20000112.1G169 I173 W181 P185 S189 L190 G191G169-S187 CarbonylContact O-C 3.33Å; G169-S187 WeakPolarHBondContact O-CB 3.48Å; G169-S187 PolarHBondContact O-OG 2.92Å; I173-S187 WeakPolarHBondContact CG1-OG 3.28Å; W181-S187 WeakPolarHBondContact O-CA 3.23Å; W181-S187 VanDerWaalsContact O-CB 3.26Å; W181-S187 WeakPolarHBondContact O-CB 3.45Å; W181-S187 PolarHBondContact O-N 3.01Å; W181-S187 VanDerWaalsContact O-N 3.17Å; P185-S187 PolarHBondContact O-N 3.32Å; S187-S189 VanDerWaalsContact C-N 3.35Å; S187-S189 PolarHBondContact O-N 2.88Å; S187-L190 PolarHBondContact O-N 3.31Å; S187-G191 PolarHBondContact O-N 2.91Å
188C97.8Very high96.6Very high4 Ų442.5 Ų42.53%0.02722%0.221CC..Hα-helixtrans-64.1-38.8175.9-65.40000112L115 W184 P185 V186 G191 A192L115-C188 HydrophobicContact CD1-CB 4.16Å; L115-C188 HydrophobicContact CD2-CB 3.77Å; W184-C188 HydrophobicContact CZ3-CB 4.39Å; W184-C188 VanDerWaalsContact CZ3-SG 3.59Å; P185-C188 PolarHBondContact O-N 3.36Å; V186-C188 PolarHBondContact O-N 3.45Å; C188-G191 PolarHBondContact O-N 2.99Å; C188-A192 WeakPolarHBondContact O-CB 3.42Å; C188-A192 PolarHBondContact O-N 3.47Å
189S98.4Very high97Very high3 Ų335.9 Ų35.92%0.02119%0.186CC..Hα-helixtrans-66.7-44.6178-57.70000111.3P185 V186 S187 A192 V193P185-S189 WeakPolarHBondContact O-CB 3.37Å; P185-S189 PolarHBondContact O-N 2.89Å; P185-S189 PolarHBondContact O-OG 3.24Å; V186-S189 PolarHBondContact O-N 3.1Å; S187-S189 VanDerWaalsContact C-N 3.35Å; S187-S189 PolarHBondContact O-N 2.88Å; S189-A192 PolarHBondContact O-N 2.88Å; S189-V193 WeakPolarHBondContact O-CG2 3.47Å; S189-V193 PolarHBondContact O-N 3.19Å
190L98.3Very high97.1Very high37 Ų3729.1 Ų29.119%0.19416%0.16CC..Hα-helixtrans-61.5-46.9173.3-69.7165.6000111.1V36 Y37 W43 W181 V186 S187 A192 V193 I194V36-L190 HydrophobicContact CG1-CD2 4.1Å; Y37-L190 HydrophobicContact CD1-CD1 4.45Å; Y37-L190 HydrophobicContact CE1-CD1 3.82Å; W43-L190 HydrophobicContact CH2-CD2 3.58Å; W43-L190 HydrophobicContact CH2-CG 4.15Å; W43-L190 HydrophobicContact CZ2-CD2 4.02Å; W43-L190 HydrophobicContact CZ3-CD2 4.1Å; W43-L190 HydrophobicContact CZ3-CG 4.34Å; W181-L190 HydrophobicContact CB-CD1 4.42Å; V186-L190 HydrophobicContact CG1-CD1 3.9Å; V186-L190 HydrophobicContact CG1-CG 4.44Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 2.97Å; S187-L190 PolarHBondContact O-N 3.31Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 3.13Å; L190-V193 PolarHBondContact O-N 3.13Å; L190-I194 WeakPolarHBondContact O-CB 3.16Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 3.5Å
191G98.5Very high97.2Very high13 Ų1330.6 Ų30.613%0.13417%0.168CC..Hα-helixtrans-56.9-4517600000112.2G165 S187 C188 V193 I194 G195G165-G191 CarbonylContact C-O 3.29Å; G165-G191 VanDerWaalsContact C-O 3.29Å; G165-G191 VanDerWaalsContact CA-O 3.24Å; G165-G191 WeakPolarHBondContact CA-O 3.22Å; G165-G191 CarbonylContact O-C 3.57Å; G165-G191 VanDerWaalsContact O-C 3.3Å; G165-G191 VanDerWaalsContact O-CA 3.22Å; G165-G191 WeakPolarHBondContact O-CA 3.36Å; S187-G191 PolarHBondContact O-N 2.91Å; C188-G191 PolarHBondContact O-N 2.99Å; G191-V193 PolarHBondContact O-N 2.85Å; G191-I194 PolarHBondContact O-N 3.29Å; G191-G195 PolarHBondContact O-N 2.85Å
192A98.7Very high97.3Very high0 Ų028.8 Ų28.80%017%0.169CC..Hα-helixtrans-60.6-45.517700000112.1L118 L119 L122 A166 C188 S189 L190 G195 Y196L118-A192 HydrophobicContact CD2-CB 4.37Å; L119-A192 HydrophobicContact CD2-CB 4Å; L122-A192 HydrophobicContact CD1-CB 3.85Å; A166-A192 HydrophobicContact CB-CB 3.77Å; C188-A192 WeakPolarHBondContact O-CB 3.42Å; C188-A192 PolarHBondContact O-N 3.47Å; S189-A192 PolarHBondContact O-N 2.88Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 3.13Å; A192-G195 PolarHBondContact O-N 2.99Å; A192-Y196 WeakPolarHBondContact O-CB 3.27Å; A192-Y196 PolarHBondContact O-N 3.47Å
193V98.7Very high97.3Very high10 Ų1028.3 Ų28.36%0.06117%0.166CC..Hα-helixtrans-68-43.9179.6173.80000111.6V20 W43 V47 L118 L122 S189 L190 G191 G195 Y196 L197V20-V193 HydrophobicContact CG1-CG1 3.61Å; W43-V193 HydrophobicContact CH2-CB 4.37Å; W43-V193 HydrophobicContact CH2-CG2 3.93Å; W43-V193 HydrophobicContact CZ2-CG2 4.27Å; V47-V193 HydrophobicContact CG1-CG2 3.88Å; L118-V193 HydrophobicContact CD1-CG2 4.41Å; L118-V193 HydrophobicContact CD2-CG2 4.31Å; L122-V193 HydrophobicContact CD1-CG2 4.32Å; S189-V193 WeakPolarHBondContact O-CG2 3.47Å; S189-V193 PolarHBondContact O-N 3.19Å; L190-V193 PolarHBondContact O-N 3.13Å; G191-V193 PolarHBondContact O-N 2.85Å; V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.38Å; V193-Y196 WeakPolarHBondContact O-CB 3.48Å; V193-Y196 PolarHBondContact O-N 3.33Å; V193-L197 HydrophobicContact CG1-CD1 4.24Å; V193-L197 WeakPolarHBondContact O-CG 3.38Å; V193-L197 PolarHBondContact O-N 3.33Å
194I98.6Very high97.3Very high104 Ų10425.3 Ų25.353%0.53315%0.149SC..Hα-helixtrans-62-43.5175.5-68.7165.7000110.2L190 G191 L197 T198L190-I194 WeakPolarHBondContact O-CB 3.16Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 3.5Å; G191-I194 PolarHBondContact O-N 3.29Å; I194-L197 PolarHBondContact O-N 2.83Å; I194-T198 WeakPolarHBondContact O-CB 3.18Å; I194-T198 PolarHBondContact O-N 2.68Å; I194-T198 PolarHBondContact O-OG1 3.38Å
195G98.7Very high97.2Very high6 Ų625.9 Ų25.96%0.06216%0.163CC..Hα-helixtrans-59.3-46174.400000112.2C161 G191 A192 V193 T198 G199C161-G195 WeakPolarHBondContact CB-O 3.29Å; C161-G195 WeakPolarHBondContact O-CA 3.47Å; G191-G195 PolarHBondContact O-N 2.85Å; A192-G195 PolarHBondContact O-N 2.99Å; V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.38Å; G195-T198 PolarHBondContact O-N 3.19Å; G195-G199 PolarHBondContact O-N 3Å
196Y98.6Very high97.1Very high1 Ų131.1 Ų31.10%0.00418%0.183CC..Hα-helixtrans-58.3-51.6175.3178.6-100.1000112.1M16 V20 V51 L122 V158 S162 A192 V193 T198 G199 L200M16-Y196 PolarHBondContact SD-OH 3.36Å; V20-Y196 HydrophobicContact CG2-CD1 4.26Å; V20-Y196 HydrophobicContact CG2-CE1 4.05Å; V51-Y196 HydrophobicContact CG2-CE1 4.46Å; L122-Y196 HydrophobicContact CB-CD2 3.96Å; L122-Y196 HydrophobicContact CB-CG 4.46Å; L122-Y196 HydrophobicContact CD2-CD1 4.01Å; L122-Y196 HydrophobicContact CD2-CD2 3.89Å; L122-Y196 HydrophobicContact CD2-CE1 4.39Å; L122-Y196 HydrophobicContact CD2-CE2 4.29Å; L122-Y196 HydrophobicContact CD2-CG 3.74Å; L122-Y196 HydrophobicContact CG-CD2 4.45Å; L122-Y196 WeakPolarHBondContact O-CE2 3.34Å; V158-Y196 HydrophobicContact CG1-CD2 3.47Å; V158-Y196 VanDerWaalsContact CG1-CD2 3.47Å; V158-Y196 HydrophobicContact CG1-CE2 3.53Å; V158-Y196 HydrophobicContact CG1-CG 4.44Å; S162-Y196 VanDerWaalsContact OG-CA 3.31Å; S162-Y196 WeakPolarHBondContact OG-CA 3.29Å; S162-Y196 WeakPolarHBondContact OG-CB 3.44Å; A192-Y196 WeakPolarHBondContact O-CB 3.27Å; A192-Y196 PolarHBondContact O-N 3.47Å; V193-Y196 WeakPolarHBondContact O-CB 3.48Å; V193-Y196 PolarHBondContact O-N 3.33Å; Y196-T198 VanDerWaalsContact C-N 3.31Å; Y196-T198 PolarHBondContact O-N 3.43Å; Y196-G199 PolarHBondContact O-N 3.01Å; Y196-G199 VanDerWaalsContact O-N 3.14Å; Y196-L200 HydrophobicContact CD1-CD1 3.99Å; Y196-L200 HydrophobicContact CD1-CG 4.32Å; Y196-L200 HydrophobicContact CE1-CD1 3.52Å; Y196-L200 HydrophobicContact CE1-CD2 4.41Å; Y196-L200 HydrophobicContact CE1-CG 4.05Å; Y196-L200 WeakPolarHBondContact O-CG 3.01Å; Y196-L200 PolarHBondContact O-N 3.39Å
197L98.6Very high96.8Very high57 Ų5731 Ų3130%0.29818%0.183SC..Hα-helixtrans-60.5-40.9177.9-68.6175.5000111.9A17 V20 V193 I194 G199 L200 V201A17-L197 HydrophobicContact CB-CD2 3.88Å; V20-L197 HydrophobicContact CB-CD2 4.15Å; V20-L197 HydrophobicContact CG1-CD1 4.29Å; V20-L197 HydrophobicContact CG1-CD2 4.18Å; V20-L197 HydrophobicContact CG1-CG 4.44Å; V20-L197 HydrophobicContact CG2-CD2 4.39Å; V193-L197 HydrophobicContact CG1-CD1 4.24Å; V193-L197 WeakPolarHBondContact O-CG 3.38Å; V193-L197 PolarHBondContact O-N 3.33Å; I194-L197 PolarHBondContact O-N 2.83Å; L197-G199 VanDerWaalsContact C-N 3.35Å; L197-G199 PolarHBondContact O-N 2.85Å; L197-L200 HydrophobicContact CD2-CD1 4.33Å; L197-L200 WeakPolarHBondContact O-CB 3.35Å; L197-L200 PolarHBondContact O-N 2.9Å; L197-V201 PolarHBondContact O-N 3.28Å
198T98.5Very high96.4Very high75 Ų7535.1 Ų35.146%0.4620%0.201SC..Hα-helixtrans-61.2-45.4174.7-58.40000110.5I194 G195 Y196 L200 V201 A202I194-T198 WeakPolarHBondContact O-CB 3.18Å; I194-T198 PolarHBondContact O-N 2.68Å; I194-T198 PolarHBondContact O-OG1 3.38Å; G195-T198 PolarHBondContact O-N 3.19Å; Y196-T198 VanDerWaalsContact C-N 3.31Å; Y196-T198 PolarHBondContact O-N 3.43Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 3.09Å; T198-V201 PolarHBondContact O-N 2.95Å; T198-V201 VanDerWaalsContact O-N 3.1Å; T198-A202 WeakPolarHBondContact O-CB 3.27Å; T198-A202 PolarHBondContact O-N 3.43Å
199G98.1Very high96Very high0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-61.1-37.4176.200000113.1G195 Y196 L197 V201 A202 A203G195-G199 PolarHBondContact O-N 3Å; Y196-G199 PolarHBondContact O-N 3.01Å; Y196-G199 VanDerWaalsContact O-N 3.14Å; L197-G199 VanDerWaalsContact C-N 3.35Å; L197-G199 PolarHBondContact O-N 2.85Å; G199-V201 PolarHBondContact O-N 3.21Å; G199-A202 PolarHBondContact O-N 3.11Å; G199-A203 VanDerWaalsContact O-CB 3.22Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.42Å
200L97.4Very high95.4Very high5 Ų547.7 Ų47.73%0.02625%0.25CC..Hα-helixtrans-62.1-31.6174.7-68.1-176.8000112.5H13 M16 A17 V158 Y196 L197 T198 P204H13-L200 HydrophobicContact CB-CB 4.11Å; H13-L200 HydrophobicContact CB-CD2 4.1Å; H13-L200 WeakPolarHBondContact ND1-CA 3.36Å; H13-L200 PolarHBondContact ND1-O 2.95Å; M16-L200 HydrophobicContact CB-CD1 3.75Å; M16-L200 HydrophobicContact CB-CD2 4.42Å; M16-L200 HydrophobicContact SD-CD2 3.9Å; A17-L200 HydrophobicContact CB-CD1 4.09Å; V158-L200 HydrophobicContact CG1-CD2 4.4Å; V158-L200 HydrophobicContact CG2-CD2 4.05Å; Y196-L200 HydrophobicContact CD1-CD1 3.99Å; Y196-L200 HydrophobicContact CD1-CG 4.32Å; Y196-L200 HydrophobicContact CE1-CD1 3.52Å; Y196-L200 HydrophobicContact CE1-CD2 4.41Å; Y196-L200 HydrophobicContact CE1-CG 4.05Å; Y196-L200 WeakPolarHBondContact O-CG 3.01Å; Y196-L200 PolarHBondContact O-N 3.39Å; L197-L200 HydrophobicContact CD2-CD1 4.33Å; L197-L200 WeakPolarHBondContact O-CB 3.35Å; L197-L200 PolarHBondContact O-N 2.9Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 3.09Å; L200-P204 WeakPolarHBondContact O-CD 3.33Å; L200-P204 WeakPolarHBondContact O-CG 3.06Å
201V96.8Very high94.5Very high106 Ų10650.6 Ų50.664%0.64226%0.258SS*.Hα-helixtrans-88.1-42.4177179.50000111.4L197 T198 G199 A203 P204 A205L197-V201 PolarHBondContact O-N 3.28Å; T198-V201 PolarHBondContact O-N 2.95Å; T198-V201 VanDerWaalsContact O-N 3.1Å; G199-V201 PolarHBondContact O-N 3.21Å; V201-A203 PolarHBondContact O-N 3.05Å; V201-P204 VanDerWaalsContact O-CD 3.31Å; V201-P204 WeakPolarHBondContact O-CD 3.33Å; V201-P204 VanDerWaalsContact O-CG 3.31Å; V201-P204 WeakPolarHBondContact O-CG 3.41Å; V201-A205 PolarHBondContact O-N 3.26Å
202A96.3Very high93.4Very high36 Ų3658.9 Ų58.930%0.29829%0.291SS..Hα-helixtrans-66.8-38.9-175.600000112.3V157 T198 G199 A205 W206V157-A202 HydrophobicContact CG1-CB 4.13Å; T198-A202 WeakPolarHBondContact O-CB 3.27Å; T198-A202 PolarHBondContact O-N 3.43Å; G199-A202 PolarHBondContact O-N 3.11Å; A202-A205 PolarHBondContact O-N 3.03Å; A202-W206 WeakPolarHBondContact O-CB 3.35Å; A202-W206 PolarHBondContact O-N 3.3Å
203A94.8Very high92.1Very high0 Ų066.3 Ų66.30%033%0.325CS..Hα-helixtrans-57.2-57.8179.900000113.4V157 G199 V201 A205 W206 I207V157-A203 HydrophobicContact CB-CB 4.01Å; V157-A203 HydrophobicContact CG1-CB 3.95Å; G199-A203 VanDerWaalsContact O-CB 3.22Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.42Å; V201-A203 PolarHBondContact O-N 3.05Å; A203-A205 VanDerWaalsContact C-N 3.32Å; A203-A205 PolarHBondContact O-N 2.91Å; A203-W206 PolarHBondContact O-N 3.3Å; A203-I207 WeakPolarHBondContact O-CB 2.88Å; A203-I207 WeakPolarHBondContact O-CG1 3.11Å; A203-I207 PolarHBondContact O-N 3.24Å
204P93Very high90.9Very high19 Ų1967.5 Ų67.512%0.12333%0.331CS..Hα-helixtrans-61-39.3177.620.2-30.1000112.7M9 A10 L200 V201 H208M9-P204 HydrophobicContact CE-CB 3.82Å; A10-P204 HydrophobicContact CB-CB 4.41Å; L200-P204 WeakPolarHBondContact O-CD 3.33Å; L200-P204 WeakPolarHBondContact O-CG 3.06Å; V201-P204 VanDerWaalsContact O-CD 3.31Å; V201-P204 WeakPolarHBondContact O-CD 3.33Å; V201-P204 VanDerWaalsContact O-CG 3.31Å; V201-P204 WeakPolarHBondContact O-CG 3.41Å; P204-H208 WeakPolarHBondContact O-CB 3.46Å; P204-H208 PolarHBondContact O-N 2.95Å
205A92.6Very high89.3Confident59 Ų5968.8 Ų68.849%0.48834%0.344SS..Hα-helixtrans-63.8-47.4178.600000112V201 A202 A203 H208 W209V201-A205 PolarHBondContact O-N 3.26Å; A202-A205 PolarHBondContact O-N 3.03Å; A203-A205 VanDerWaalsContact C-N 3.32Å; A203-A205 PolarHBondContact O-N 2.91Å; A205-H208 PolarHBondContact O-N 3.39Å; A205-W209 WeakPolarHBondContact O-CB 3.39Å; A205-W209 PolarHBondContact O-N 3.02Å
206W92Very high87.9Confident109 Ų10969.7 Ų69.741%0.41335%0.346SS..Hα-helixtrans-63.5-45.5179.3-176.192.2000111.6T153 A202 A203 W209 H210 L214T153-W206 HydrophobicContact CG2-CE3 3.77Å; T153-W206 HydrophobicContact CG2-CH2 4.41Å; T153-W206 HydrophobicContact CG2-CZ3 3.47Å; T153-W206 VanDerWaalsContact CG2-CZ3 3.47Å; A202-W206 WeakPolarHBondContact O-CB 3.35Å; A202-W206 PolarHBondContact O-N 3.3Å; A203-W206 PolarHBondContact O-N 3.3Å; W206-W209 PolarHBondContact O-N 3.17Å; W206-H210 AromaticContact CD1-CE1 3.66Å; W206-H210 AromaticContact CD1-ND1 3.63Å; W206-H210 AromaticContact CD2-ND1 3.82Å; W206-H210 AromaticContact CE2-ND1 3.63Å; W206-H210 AromaticContact CG-ND1 3.84Å; W206-H210 HydrophobicContact CH2-CB 4.49Å; W206-H210 HydrophobicContact CZ2-CB 4.48Å; W206-H210 AromaticContact NE1-CE1 3.45Å; W206-H210 PolarHBondContact NE1-CE1 3.09Å; W206-H210 AromaticContact NE1-ND1 3.49Å; W206-H210 PolarHBondContact NE1-ND1 2.94Å; W206-H210 WeakPolarHBondContact O-CB 3.48Å; W206-H210 PolarHBondContact O-N 3.39Å; W206-H210 PolarHBondContact O-ND1 2.83Å; W206-L214 HydrophobicContact CH2-CD2 3.9Å; W206-L214 HydrophobicContact CZ3-CD1 3.9Å; W206-L214 HydrophobicContact CZ3-CD2 3.86Å; W206-L214 HydrophobicContact CZ3-CG 4.41Å
207I91Very high85.8Confident0 Ų077.5 Ų77.50%038%0.379CS..Hα-helixtrans-63.8-43.2178.4-67.4169.2000110.2W2 I6 M9 V150 T153 A203 W209 H210 R211 L214W2-I207 HydrophobicContact CZ3-CG2 4.17Å; I6-I207 HydrophobicContact CD1-CG2 4Å; I6-I207 HydrophobicContact CG1-CG2 4.09Å; M9-I207 HydrophobicContact CE-CD1 3.88Å; M9-I207 HydrophobicContact SD-CD1 4.01Å; V150-I207 HydrophobicContact CG1-CD1 3.98Å; V150-I207 HydrophobicContact CG1-CG2 4.42Å; V150-I207 HydrophobicContact CG2-CG2 4.44Å; V150-I207 WeakPolarHBondContact O-CD1 3.4Å; T153-I207 HydrophobicContact CG2-CD1 3.87Å; T153-I207 HydrophobicContact CG2-CG1 3.77Å; A203-I207 WeakPolarHBondContact O-CB 2.88Å; A203-I207 WeakPolarHBondContact O-CG1 3.11Å; A203-I207 PolarHBondContact O-N 3.24Å; I207-W209 VanDerWaalsContact C-N 3.34Å; I207-W209 PolarHBondContact O-N 2.9Å; I207-H210 PolarHBondContact O-N 3.45Å; I207-R211 WeakPolarHBondContact O-CA 3.5Å; I207-R211 WeakPolarHBondContact O-CB 3.4Å; I207-R211 PolarHBondContact O-N 3.45Å; I207-L214 HydrophobicContact CG2-CD1 4.15Å
208H89Confident83.4Confident93 Ų9381.1 Ų81.143%0.43140%0.398SS..Hα-helixtrans-60.8-43.7177.5-176.877.6000112P204 A205 R211P204-H208 WeakPolarHBondContact O-CB 3.46Å; P204-H208 PolarHBondContact O-N 2.95Å; A205-H208 PolarHBondContact O-N 3.39Å; H208-R211 WeakPolarHBondContact O-CD 3.45Å; H208-R211 VanDerWaalsContact O-CG 3.31Å; H208-R211 WeakPolarHBondContact O-CG 3.36Å
209W89.1Confident80.9Confident209 Ų20989 Ų8979%0.79243%0.426SS*.Hα-helixtrans-66.2-43.9178.8-171.8-88.6000112.4A205 W206 I207A205-W209 WeakPolarHBondContact O-CB 3.39Å; A205-W209 PolarHBondContact O-N 3.02Å; W206-W209 PolarHBondContact O-N 3.17Å; I207-W209 VanDerWaalsContact C-N 3.34Å; I207-W209 PolarHBondContact O-N 2.9Å
210H86.5Confident80.1Confident63 Ų6393.5 Ų93.529%0.29245%0.447SS..Hα-helixtrans-946.4-174-63.488000114.3W206 I207 K212 H213 L214W206-H210 AromaticContact CD1-CE1 3.66Å; W206-H210 AromaticContact CD1-ND1 3.63Å; W206-H210 AromaticContact CD2-ND1 3.82Å; W206-H210 AromaticContact CE2-ND1 3.63Å; W206-H210 AromaticContact CG-ND1 3.84Å; W206-H210 HydrophobicContact CH2-CB 4.49Å; W206-H210 HydrophobicContact CZ2-CB 4.48Å; W206-H210 AromaticContact NE1-CE1 3.45Å; W206-H210 PolarHBondContact NE1-CE1 3.09Å; W206-H210 AromaticContact NE1-ND1 3.49Å; W206-H210 PolarHBondContact NE1-ND1 2.94Å; W206-H210 WeakPolarHBondContact O-CB 3.48Å; W206-H210 PolarHBondContact O-N 3.39Å; W206-H210 PolarHBondContact O-ND1 2.83Å; I207-H210 PolarHBondContact O-N 3.45Å; H210-K212 PolarHBondContact O-N 3.37Å; H210-H213 PolarHBondContact O-N 2.91Å; H210-L214 HydrophobicContact CB-CD1 4.3Å; H210-L214 HydrophobicContact CB-CG 4.5Å; H210-L214 PolarHBondContact O-N 3.44Å
211R80Confident79.2Confident98 Ų9898.2 Ų98.237%0.3747%0.469SS..THydrogen-bonded Turntrans-51.3-31-174.767.2-174.2173.8173.5-2.2115.1D3 I207 H208 H213D3-R211 IonicContact OD1-NH1 3.1Å; D3-R211 PolarHBondContact OD1-NH1 3.19Å; D3-R211 VanDerWaalsContact OD1-NH1 3.1Å; I207-R211 WeakPolarHBondContact O-CA 3.5Å; I207-R211 WeakPolarHBondContact O-CB 3.4Å; I207-R211 PolarHBondContact O-N 3.45Å; H208-R211 WeakPolarHBondContact O-CD 3.45Å; H208-R211 VanDerWaalsContact O-CG 3.31Å; H208-R211 WeakPolarHBondContact O-CG 3.36Å; R211-H213 VanDerWaalsContact C-N 3.26Å; R211-H213 PolarHBondContact O-N 3.25Å
212K75.4Confident78.2Confident187 Ų18797.7 Ų97.781%0.81346%0.46SS*.THydrogen-bonded Turntrans-69.9-22.3179.5-65-175.2-179.6-179.80113.4H210H210-K212 PolarHBondContact O-N 3.37Å
213H70.9Confident77.1Confident155 Ų155101.4 Ų101.472%0.71847%0.469SS*.THydrogen-bonded Turntrans-103.2-10-178.3-60.5-72.1000112.9H210 R211 T215H210-H213 PolarHBondContact O-N 2.91Å; R211-H213 VanDerWaalsContact C-N 3.26Å; R211-H213 PolarHBondContact O-N 3.25Å; H213-T215 PolarHBondContact O-N 2.92Å
214L72.6Confident76Confident35 Ų35107.7 Ų107.718%0.18350%0.499CS..  trans-88.4104.5-178.5-66.9165.9000110W2 W206 I207 H210 Y216W2-L214 HydrophobicContact CH2-CB 3.57Å; W2-L214 HydrophobicContact CH2-CD1 4.46Å; W2-L214 WeakPolarHBondContact CH2-O 3.4Å; W2-L214 WeakPolarHBondContact CZ2-O 3.3Å; W2-L214 HydrophobicContact CZ3-CB 4.2Å; W2-L214 HydrophobicContact CZ3-CD1 4.3Å; W206-L214 HydrophobicContact CH2-CD2 3.9Å; W206-L214 HydrophobicContact CZ3-CD1 3.9Å; W206-L214 HydrophobicContact CZ3-CD2 3.86Å; W206-L214 HydrophobicContact CZ3-CG 4.41Å; I207-L214 HydrophobicContact CG2-CD1 4.15Å; H210-L214 HydrophobicContact CB-CD1 4.3Å; H210-L214 HydrophobicContact CB-CG 4.5Å; H210-L214 PolarHBondContact O-N 3.44Å; L214-Y216 HydrophobicContact CB-CE1 4.33Å; L214-Y216 HydrophobicContact CB-CE2 4.4Å; L214-Y216 HydrophobicContact CD1-CE2 4.42Å; L214-Y216 HydrophobicContact CD2-CE1 4.18Å; L214-Y216 PolarHBondContact O-N 2.76Å
215T64.7Low74.9Confident132 Ų132113.6 Ų113.681%0.8152%0.524SS*.  trans-88.272.7173.554.80000110.3H213H213-T215 PolarHBondContact O-N 2.92Å
216Y70.1Confident73.6Confident25 Ų25117.5 Ų117.510%0.09853%0.526CS..PPolyproline II helixtrans-70136.1168.8-63.1-29000109.9W2 M148 S149 V150 T153 L214 I218W2-Y216 HydrophobicContact CE3-CD2 4.15Å; W2-Y216 HydrophobicContact CE3-CE2 4.16Å; W2-Y216 HydrophobicContact CH2-CD1 4.37Å; W2-Y216 AromaticContact CH2-CD2 2.8Å; W2-Y216 HydrophobicContact CH2-CD2 2.8Å; W2-Y216 AromaticContact CH2-CE2 3.03Å; W2-Y216 HydrophobicContact CH2-CE2 3.03Å; W2-Y216 AromaticContact CH2-CG 3.51Å; W2-Y216 HydrophobicContact CH2-CG 3.51Å; W2-Y216 AromaticContact CH2-CZ 3.96Å; W2-Y216 AromaticContact CZ2-CD2 3.23Å; W2-Y216 HydrophobicContact CZ2-CD2 3.23Å; W2-Y216 AromaticContact CZ2-CE2 3.95Å; W2-Y216 HydrophobicContact CZ2-CE2 3.95Å; W2-Y216 AromaticContact CZ2-CG 3.68Å; W2-Y216 HydrophobicContact CZ2-CG 3.68Å; W2-Y216 AromaticContact CZ3-CD2 3.31Å; W2-Y216 HydrophobicContact CZ3-CD2 3.31Å; W2-Y216 AromaticContact CZ3-CE2 3.12Å; W2-Y216 HydrophobicContact CZ3-CE2 3.12Å; W2-Y216 HydrophobicContact CZ3-CG 4.39Å; M148-Y216 WeakPolarHBondContact O-CA 3.32Å; M148-Y216 VanDerWaalsContact O-CB 3.23Å; M148-Y216 WeakPolarHBondContact O-CB 3.39Å; M148-Y216 WeakPolarHBondContact O-CD1 3.43Å; S149-Y216 VanDerWaalsContact C-CE2 3.43Å; S149-Y216 VanDerWaalsContact C-CZ 3.45Å; S149-Y216 WeakPolarHBondContact O-CE1 3.28Å; V150-Y216 VanDerWaalsContact CA-CE2 3.45Å; V150-Y216 HydrophobicContact CB-CE2 4.07Å; V150-Y216 HydrophobicContact CG2-CD2 3.76Å; V150-Y216 HydrophobicContact CG2-CE2 3.48Å; V150-Y216 VanDerWaalsContact CG2-CE2 3.48Å; V150-Y216 VanDerWaalsContact N-CD2 3.34Å; T153-Y216 VanDerWaalsContact CB-OH 3.31Å; T153-Y216 WeakPolarHBondContact CB-OH 3.46Å; T153-Y216 PolarHBondContact OG1-OH 3.16Å; L214-Y216 HydrophobicContact CB-CE1 4.33Å; L214-Y216 HydrophobicContact CB-CE2 4.4Å; L214-Y216 HydrophobicContact CD1-CE2 4.42Å; L214-Y216 HydrophobicContact CD2-CE1 4.18Å; L214-Y216 PolarHBondContact O-N 2.76Å; Y216-I218 PolarHBondContact O-N 3.26Å
217K54.3Low72.2Confident164 Ų164118.2 Ų118.271%0.71354%0.535SS*.PPolyproline II helixtrans-71.7120.9171.4-74.3-173.9-179.5-173.70107.4M148 K219M148-K217 HydrophobicContact CE-CB 4.28Å; M148-K217 HydrophobicContact CE-CD 3.6Å; M148-K217 HydrophobicContact CE-CG 3.62Å; K217-K219 PolarHBondContact O-N 2.97Å
218I47.8Very low70.6Confident133 Ų133128 Ų12868%0.68258%0.579SS**PPolyproline II helixtrans-58.6127.4171-58.7172.8000106.9Y216Y216-I218 PolarHBondContact O-N 3.26Å
219K47.3Very low69Low242 Ų242131.2 Ų131.2100%1.05259%0.593SS**  trans-890177.6-123.2-171.6-174.3-174.80110.9K217K217-K219 PolarHBondContact O-N 2.97Å

Retrieved 219 of 219 residues in 730.7 ms (Link to these results)

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