A0A096NMU6_PAPAN Loading...

Tetraspanin

Regulates the proliferation and migration of oligodendrocytes, a process essential for normal myelination and repair.

AlphaFold DB (O60637), UniProt , Accession A0A096NMU6, Species PAPAN (Papio anubis, Olive baboon), Gene TSPAN3, Length 253 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
1M49.5Very low82.2Confident233 Ų23379.1 Ų79.1100%1.14846%0.461SS*.  0-30.50-72.6176.5176.900114.2
2G69.1Low83.3Confident41 Ų4176.8 Ų76.842%0.42345%0.449SS..Hα-helixtrans-67.4-38.1-174.800000117.3G5 I6G2-G5 PolarHBondContact O-N 3.18Å; G2-I6 WeakPolarHBondContact O-CG1 3.49Å; G2-I6 PolarHBondContact O-N 3.34Å
3Q76.7Confident84.2Confident166 Ų16671 Ų7178%0.77642%0.415SS*.Hα-helixtrans-64.8-43-176.3-74.7-179.7-18.700113.3G5 I6 T7Q3-G5 VanDerWaalsContact C-N 3.29Å; Q3-G5 PolarHBondContact O-N 3.13Å; Q3-I6 PolarHBondContact O-N 2.89Å; Q3-T7 PolarHBondContact O-N 3.45Å; Q3-T7 PolarHBondContact O-OG1 3.41Å
4C80.2Confident85Confident103 Ų10369.1 Ų69.170%0.69641%0.405SS*.Hα-helixtrans-55.3-44.9179.4178.80000111.7I6 T7 S8C4-I6 VanDerWaalsContact C-N 3.35Å; C4-I6 PolarHBondContact O-N 2.85Å; C4-T7 PolarHBondContact O-N 3.32Å; C4-S8 PolarHBondContact O-N 3.01Å; C4-S8 PolarHBondContact O-OG 3.46Å
5G83.6Confident85.7Confident15 Ų1573.1 Ų73.116%0.15542%0.415CS..Hα-helixtrans-71.6-24.5178.900000114.4G2 Q3 S8 S9 R236G2-G5 PolarHBondContact O-N 3.18Å; Q3-G5 VanDerWaalsContact C-N 3.29Å; Q3-G5 PolarHBondContact O-N 3.13Å; G5-S8 WeakPolarHBondContact CA-OG 2.66Å; G5-S8 PolarHBondContact O-OG 3.29Å; G5-S9 PolarHBondContact O-N 2.68Å; G5-S9 PolarHBondContact O-OG 3.26Å; G5-S9 VanDerWaalsContact O-OG 3.13Å; G5-R236 VanDerWaalsContact CA-NH1 3.26Å; G5-R236 PolarHBondContact O-NH1 3.4Å
6I85.7Confident86.3Confident29 Ų2969.3 Ų69.315%0.14939%0.393CS..Hα-helixtrans-75.2-46175.3-66.4170.1000108.8G2 Q3 C4 S8 S9 K10 R236G2-I6 WeakPolarHBondContact O-CG1 3.49Å; G2-I6 PolarHBondContact O-N 3.34Å; Q3-I6 PolarHBondContact O-N 2.89Å; C4-I6 VanDerWaalsContact C-N 3.35Å; C4-I6 PolarHBondContact O-N 2.85Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 2.99Å; I6-S9 PolarHBondContact O-N 3.4Å; I6-K10 HydrophobicContact CG2-CD 4.02Å; I6-K10 VanDerWaalsContact CG2-CE 3.46Å; I6-K10 HydrophobicContact CG2-CG 4.45Å; I6-K10 WeakPolarHBondContact O-CG 3.33Å; I6-K10 PolarHBondContact O-N 3.36Å; I6-R236 HydrophobicContact CD1-CB 3.91Å; I6-R236 HydrophobicContact CG1-CB 4.06Å; I6-R236 HydrophobicContact CG1-CG 4.39Å
7T88.7Confident86.8Confident85 Ų8565.4 Ų65.452%0.52137%0.371SS..Hα-helixtrans-59-45.5177-53.60000110.7Q3 C4 S9 K10 T11Q3-T7 PolarHBondContact O-N 3.45Å; Q3-T7 PolarHBondContact O-OG1 3.41Å; C4-T7 PolarHBondContact O-N 3.32Å; T7-S9 PolarHBondContact O-N 2.81Å; T7-K10 PolarHBondContact O-N 2.63Å; T7-T11 PolarHBondContact O-N 3.18Å; T7-T11 PolarHBondContact O-OG1 3.05Å; T7-T11 VanDerWaalsContact O-OG1 3.04Å
8S91Very high87.2Confident60 Ų6067.2 Ų67.242%0.4238%0.379SS..Hα-helixtrans-59.8-46.2177.166.40000112.4C4 G5 I6 K10 T11 V12C4-S8 PolarHBondContact O-N 3.01Å; C4-S8 PolarHBondContact O-OG 3.46Å; G5-S8 WeakPolarHBondContact CA-OG 2.66Å; G5-S8 PolarHBondContact O-OG 3.29Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 2.99Å; S8-K10 PolarHBondContact O-N 3.46Å; S8-T11 PolarHBondContact O-N 3.01Å; S8-V12 WeakPolarHBondContact O-CG2 2.98Å; S8-V12 PolarHBondContact O-N 3.13Å
9S93Very high87.6Confident8 Ų867.2 Ų67.26%0.05638%0.377CS..Hα-helixtrans-63.7-39.4178.6-66.50000112.5G5 I6 T7 V12 L13G5-S9 PolarHBondContact O-N 2.68Å; G5-S9 PolarHBondContact O-OG 3.26Å; G5-S9 VanDerWaalsContact O-OG 3.13Å; I6-S9 PolarHBondContact O-N 3.4Å; T7-S9 PolarHBondContact O-N 2.81Å; S9-V12 PolarHBondContact O-N 3.33Å; S9-L13 VanDerWaalsContact O-CG 3.32Å; S9-L13 WeakPolarHBondContact O-CG 3.46Å; S9-L13 PolarHBondContact O-N 3.45Å
10K93.1Very high88Confident39 Ų3964.2 Ų64.217%0.1736%0.36CS..Hα-helixtrans-63.5-44.5175.5-72.9173.3179.8169.90111.5I6 T7 S8 V12 L13 V14 T75 E78 V233I6-K10 HydrophobicContact CG2-CD 4.02Å; I6-K10 VanDerWaalsContact CG2-CE 3.46Å; I6-K10 HydrophobicContact CG2-CG 4.45Å; I6-K10 WeakPolarHBondContact O-CG 3.33Å; I6-K10 PolarHBondContact O-N 3.36Å; T7-K10 PolarHBondContact O-N 2.63Å; S8-K10 PolarHBondContact O-N 3.46Å; K10-V12 VanDerWaalsContact C-N 3.34Å; K10-V12 PolarHBondContact O-N 2.98Å; K10-L13 PolarHBondContact O-N 3.45Å; K10-V14 WeakPolarHBondContact O-CG2 3.45Å; K10-V14 PolarHBondContact O-N 3.03Å; K10-T75 HydrophobicContact CB-CG2 4.11Å; K10-T75 HydrophobicContact CG-CG2 4.2Å; K10-E78 VanDerWaalsContact CE-CD 3.48Å; K10-E78 WeakPolarHBondContact CE-OE1 3.33Å; K10-E78 IonicContact NZ-OE1 3.21Å; K10-E78 PolarHBondContact NZ-OE1 3.5Å; K10-E78 IonicContact NZ-OE2 3.99Å; K10-E78 PolarHBondContact NZ-OE2 2.89Å; K10-V233 HydrophobicContact CG-CG2 4.14Å
11T93.7Very high88.4Confident91 Ų9166.1 Ų66.156%0.55836%0.361SS*.Hα-helixtrans-60.4-44.1176.7-56.90000111.4T7 S8 V14 F15T7-T11 PolarHBondContact O-N 3.18Å; T7-T11 PolarHBondContact O-OG1 3.05Å; T7-T11 VanDerWaalsContact O-OG1 3.04Å; S8-T11 PolarHBondContact O-N 3.01Å; T11-V14 PolarHBondContact O-N 2.91Å; T11-F15 WeakPolarHBondContact O-CB 3.44Å; T11-F15 PolarHBondContact O-N 3.45Å
12V94.9Very high90.6Very high52 Ų5256.9 Ų56.932%0.31533%0.326SS..Hα-helixtrans-61.2-46.7175.3173.10000111S8 S9 K10 V14 F15 L16 L225S8-V12 WeakPolarHBondContact O-CG2 2.98Å; S8-V12 PolarHBondContact O-N 3.13Å; S9-V12 PolarHBondContact O-N 3.33Å; K10-V12 VanDerWaalsContact C-N 3.34Å; K10-V12 PolarHBondContact O-N 2.98Å; V12-V14 PolarHBondContact O-N 3.36Å; V12-F15 WeakPolarHBondContact O-CB 3.05Å; V12-F15 PolarHBondContact O-N 3.31Å; V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 HydrophobicContact CG1-CG 4.17Å; V12-L16 WeakPolarHBondContact O-CG 3.32Å; V12-L16 PolarHBondContact O-N 3.49Å; V12-L225 HydrophobicContact CG1-CD2 4.2Å; V12-L225 HydrophobicContact CG1-CG 4.29Å
13L95.3Very high91.9Very high1 Ų156.6 Ų56.61%0.00532%0.32CS..Hα-helixtrans-59.7-45.8178-76167.7000112.5S9 K10 F15 L16 N17 T75 F86 G226 C229 A230 V233S9-L13 VanDerWaalsContact O-CG 3.32Å; S9-L13 WeakPolarHBondContact O-CG 3.46Å; S9-L13 PolarHBondContact O-N 3.45Å; K10-L13 PolarHBondContact O-N 3.45Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 2.8Å; L13-N17 PolarHBondContact O-N 2.98Å; L13-N17 PolarHBondContact O-ND2 3.14Å; L13-T75 HydrophobicContact CB-CG2 3.92Å; L13-T75 HydrophobicContact CD1-CG2 4.25Å; L13-F86 HydrophobicContact CD2-CE1 4.03Å; L13-G226 WeakPolarHBondContact CD2-O 3.31Å; L13-C229 HydrophobicContact CD1-CB 4.27Å; L13-C229 HydrophobicContact CD2-CB 3.94Å; L13-C229 HydrophobicContact CG-CB 3.79Å; L13-A230 HydrophobicContact CD1-CB 4.33Å; L13-A230 HydrophobicContact CD2-CB 4.11Å; L13-V233 HydrophobicContact CD1-CG2 4.2Å
14V94.9Very high92.9Very high45 Ų4548.8 Ų48.827%0.27328%0.284SS..Hα-helixtrans-60.9-44.6176.8173.60000110K10 T11 V12 N17 L18 T75K10-V14 WeakPolarHBondContact O-CG2 3.45Å; K10-V14 PolarHBondContact O-N 3.03Å; T11-V14 PolarHBondContact O-N 2.91Å; V12-V14 PolarHBondContact O-N 3.36Å; V14-N17 PolarHBondContact O-N 3.1Å; V14-L18 HydrophobicContact CG1-CD1 4.34Å; V14-L18 WeakPolarHBondContact O-CG 3.26Å; V14-L18 PolarHBondContact O-N 3.03Å; V14-T75 HydrophobicContact CG2-CG2 3.84Å
15F95.4Very high93.7Very high129 Ų12946 Ų4657%0.56627%0.273SS*.Hα-helixtrans-61.5-45.3177.5-177.5-102.7000112.9T11 V12 L13 N17 L18 I19T11-F15 WeakPolarHBondContact O-CB 3.44Å; T11-F15 PolarHBondContact O-N 3.45Å; V12-F15 WeakPolarHBondContact O-CB 3.05Å; V12-F15 PolarHBondContact O-N 3.31Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 2.85Å; F15-N17 VanDerWaalsContact C-N 3.33Å; F15-N17 PolarHBondContact O-N 3.41Å; F15-L18 WeakPolarHBondContact O-CB 3.35Å; F15-L18 PolarHBondContact O-N 2.99Å; F15-I19 HydrophobicContact CD1-CD1 3.92Å; F15-I19 HydrophobicContact CE1-CD1 3.5Å; F15-I19 VanDerWaalsContact CE1-CD1 3.5Å; F15-I19 HydrophobicContact CE1-CG1 4.3Å; F15-I19 HydrophobicContact CZ-CD1 4.09Å; F15-I19 PolarHBondContact O-N 2.82Å
16L95.3Very high94.4Very high12 Ų1250.7 Ų50.76%0.06329%0.293CS..Hα-helixtrans-62.1-39.1176-68-178000112.1V12 L13 L18 I19 F20 I222 L225V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 HydrophobicContact CG1-CG 4.17Å; V12-L16 WeakPolarHBondContact O-CG 3.32Å; V12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 2.8Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 3.42Å; L16-I19 HydrophobicContact CD2-CD1 4.23Å; L16-I19 WeakPolarHBondContact O-CB 3.34Å; L16-I19 PolarHBondContact O-N 3.5Å; L16-F20 PolarHBondContact O-N 2.72Å; L16-F20 VanDerWaalsContact O-N 3.07Å; L16-I222 HydrophobicContact CD2-CG2 4.06Å; L16-L225 HydrophobicContact CD1-CB 4.38Å; L16-L225 HydrophobicContact CD1-CD2 4.18Å; L16-L225 HydrophobicContact CD1-CG 4.09Å; L16-L225 HydrophobicContact CD2-CD2 4.46Å
17N95.3Very high94.9Very high3 Ų351.8 Ų51.82%0.01630%0.299CS..Hα-helixtrans-67.9-32.7175.9-74.7-62.2000112.5L13 V14 F15 F20 W21 G71 C72L13-N17 PolarHBondContact O-N 2.98Å; L13-N17 PolarHBondContact O-ND2 3.14Å; V14-N17 PolarHBondContact O-N 3.1Å; F15-N17 VanDerWaalsContact C-N 3.33Å; F15-N17 PolarHBondContact O-N 3.41Å; N17-F20 PolarHBondContact O-N 3.21Å; N17-W21 PolarHBondContact O-N 3Å; N17-G71 VanDerWaalsContact ND2-C 3.33Å; N17-G71 WeakPolarHBondContact OD1-CA 3.21Å; N17-C72 HydrophobicContact CB-CB 4.33Å
18L94.5Very high95.3Very high98 Ų9849.9 Ų49.951%0.51329%0.288SS..Hα-helixtrans-66.7-36.1171.3-68.7173.8000111.9V14 F15 L16 F20 W21 G22V14-L18 HydrophobicContact CG1-CD1 4.34Å; V14-L18 WeakPolarHBondContact O-CG 3.26Å; V14-L18 PolarHBondContact O-N 3.03Å; F15-L18 WeakPolarHBondContact O-CB 3.35Å; F15-L18 PolarHBondContact O-N 2.99Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-L18 PolarHBondContact O-N 3.42Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-W21 PolarHBondContact O-N 3.45Å; L18-G22 PolarHBondContact O-N 3.04Å
19I95.1Very high95.5Very high66 Ų6654.8 Ų54.834%0.33830%0.299SS..Hα-helixtrans-60.9-44.5171.6-69.3168.7000110.4F15 L16 W21 G22 A23F15-I19 HydrophobicContact CD1-CD1 3.92Å; F15-I19 HydrophobicContact CE1-CD1 3.5Å; F15-I19 VanDerWaalsContact CE1-CD1 3.5Å; F15-I19 HydrophobicContact CE1-CG1 4.3Å; F15-I19 HydrophobicContact CZ-CD1 4.09Å; F15-I19 PolarHBondContact O-N 2.82Å; L16-I19 HydrophobicContact CD2-CD1 4.23Å; L16-I19 WeakPolarHBondContact O-CB 3.34Å; L16-I19 PolarHBondContact O-N 3.5Å; I19-W21 VanDerWaalsContact C-N 3.31Å; I19-W21 PolarHBondContact O-N 2.72Å; I19-G22 PolarHBondContact O-N 3.31Å; I19-A23 WeakPolarHBondContact O-CB 3.31Å; I19-A23 PolarHBondContact O-N 3.39Å
20F95.2Very high95.6Very high8 Ų857.2 Ų57.24%0.03531%0.313CS..Hα-helixtrans-61.6-37.8175.9-67.9-26.8000112.8L16 N17 L18 A24 L64 I67 L90 F219 I222L16-F20 PolarHBondContact O-N 2.72Å; L16-F20 VanDerWaalsContact O-N 3.07Å; N17-F20 PolarHBondContact O-N 3.21Å; L18-F20 VanDerWaalsContact C-N 3.34Å; F20-A24 VanDerWaalsContact O-CB 3.23Å; F20-A24 WeakPolarHBondContact O-CB 3.33Å; F20-A24 PolarHBondContact O-N 3.37Å; F20-L64 HydrophobicContact CD1-CD2 4.46Å; F20-I67 HydrophobicContact CD2-CG2 4.25Å; F20-I67 HydrophobicContact CE2-CG2 4.27Å; F20-L90 HydrophobicContact CE2-CD2 4.13Å; F20-L90 HydrophobicContact CZ-CD2 4.36Å; F20-F219 HydrophobicContact CE1-CD2 4.45Å; F20-F219 AromaticContact CE1-CE2 3.89Å; F20-F219 HydrophobicContact CE1-CE2 3.89Å; F20-I222 HydrophobicContact CE1-CG2 3.77Å; F20-I222 HydrophobicContact CZ-CG2 3.81Å
21W96.3Very high95.6Very high104 Ų10455.4 Ų55.439%0.39431%0.305SS..Hα-helixtrans-64.9-43.3173-84.333.3000112.7N17 L18 I19 A24 G25 F65 L69N17-W21 PolarHBondContact O-N 3Å; L18-W21 PolarHBondContact O-N 3.45Å; I19-W21 VanDerWaalsContact C-N 3.31Å; I19-W21 PolarHBondContact O-N 2.72Å; W21-A24 PolarHBondContact O-N 3.46Å; W21-G25 PolarHBondContact O-N 3.42Å; W21-F65 HydrophobicContact CD2-CD2 4.33Å; W21-F65 HydrophobicContact CD2-CE2 4.11Å; W21-F65 AromaticContact CE2-CE2 3.83Å; W21-F65 HydrophobicContact CE3-CE2 4.42Å; W21-F65 HydrophobicContact CG-CD2 4.44Å; W21-F65 HydrophobicContact CH2-CE2 4.27Å; W21-F65 AromaticContact CZ2-CE2 3.95Å; W21-F65 HydrophobicContact CZ2-CE2 3.95Å; W21-F65 HydrophobicContact CZ2-CZ 4.48Å; W21-F65 HydrophobicContact CZ3-CE2 4.49Å; W21-L69 HydrophobicContact CH2-CD2 4.32Å; W21-L69 HydrophobicContact CZ2-CD2 3.57Å; W21-L69 HydrophobicContact CZ2-CG 3.72Å
22G96.2Very high95.5Very high39 Ų3953 Ų5340%0.40230%0.295SS..Hα-helixtrans-60.1-48.1175.200000111.8L18 I19 A24 G25 I26L18-G22 PolarHBondContact O-N 3.04Å; I19-G22 PolarHBondContact O-N 3.31Å; G22-A24 PolarHBondContact O-N 2.97Å; G22-G25 PolarHBondContact O-N 3.45Å; G22-I26 VanDerWaalsContact O-CG1 3.31Å; G22-I26 WeakPolarHBondContact O-CG1 2.95Å; G22-I26 PolarHBondContact O-N 2.75Å
23A96.2Very high95.4Very high35 Ų3557.2 Ų57.229%0.28931%0.306SS..Hα-helixtrans-61.1-43.7176.200000112I19 G25 I26 L27 L64I19-A23 WeakPolarHBondContact O-CB 3.31Å; I19-A23 PolarHBondContact O-N 3.39Å; A23-G25 PolarHBondContact O-N 2.97Å; A23-I26 PolarHBondContact O-N 2.61Å; A23-L27 WeakPolarHBondContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.3Å; A23-L27 PolarHBondContact O-N 3.29Å; A23-L64 HydrophobicContact CB-CD1 4.17Å
24A97.7Very high95.1Very high3 Ų359.1 Ų59.13%0.02532%0.318CS..Hα-helixtrans-58.9-46.7175.600000112F20 W21 G22 I26 L27 C28 G61 L64 F65F20-A24 VanDerWaalsContact O-CB 3.23Å; F20-A24 WeakPolarHBondContact O-CB 3.33Å; F20-A24 PolarHBondContact O-N 3.37Å; W21-A24 PolarHBondContact O-N 3.46Å; G22-A24 PolarHBondContact O-N 2.97Å; A24-I26 PolarHBondContact O-N 3.38Å; A24-L27 PolarHBondContact O-N 2.55Å; A24-C28 WeakPolarHBondContact O-CB 3.43Å; A24-C28 PolarHBondContact O-N 3.47Å; A24-C28 PolarHBondContact O-SG 3.45Å; A24-C28 VanDerWaalsContact O-SG 3.33Å; A24-G61 VanDerWaalsContact CB-O 3.23Å; A24-G61 WeakPolarHBondContact CB-O 3.31Å; A24-L64 HydrophobicContact CB-CB 4Å; A24-F65 HydrophobicContact CB-CB 3.94Å
25G97.5Very high94.7Very high45 Ų4561.3 Ų61.346%0.46432%0.324SS..Hα-helixtrans-60.5-44.617700000112.6W21 G22 A23 Y29W21-G25 PolarHBondContact O-N 3.42Å; G22-G25 PolarHBondContact O-N 3.45Å; A23-G25 PolarHBondContact O-N 2.97Å; G25-Y29 VanDerWaalsContact O-CB 3.3Å; G25-Y29 WeakPolarHBondContact O-CB 3.37Å; G25-Y29 PolarHBondContact O-N 3.3Å
26I97.3Very high94.2Very high112 Ų11260 Ų6057%0.57432%0.322SS*.Hα-helixtrans-62.6-48.4177.1-67.6165.6000110.9G22 A23 A24 Y29 V30G22-I26 VanDerWaalsContact O-CG1 3.31Å; G22-I26 WeakPolarHBondContact O-CG1 2.95Å; G22-I26 PolarHBondContact O-N 2.75Å; A23-I26 PolarHBondContact O-N 2.61Å; A24-I26 PolarHBondContact O-N 3.38Å; I26-Y29 PolarHBondContact O-N 2.94Å; I26-V30 HydrophobicContact CG2-CG2 4.41Å; I26-V30 WeakPolarHBondContact O-CG2 3.38Å; I26-V30 PolarHBondContact O-N 2.89Å
27L96.7Very high93.5Very high53 Ų5361.5 Ų61.528%0.27733%0.331SS..Hα-helixtrans-63.3-46.5-179.9-70.6176.1000111.6A23 A24 Y29 V30 G31 I57 V60 L64A23-L27 WeakPolarHBondContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.3Å; A23-L27 PolarHBondContact O-N 3.29Å; A24-L27 PolarHBondContact O-N 2.55Å; L27-Y29 VanDerWaalsContact C-N 3.31Å; L27-Y29 PolarHBondContact O-N 3.46Å; L27-V30 PolarHBondContact O-N 3.37Å; L27-G31 PolarHBondContact O-N 2.92Å; L27-I57 HydrophobicContact CB-CG2 4.12Å; L27-I57 HydrophobicContact CD2-CG2 4.18Å; L27-I57 WeakPolarHBondContact O-CG2 3.49Å; L27-V60 HydrophobicContact CD1-CB 4.49Å; L27-V60 HydrophobicContact CD1-CG1 3.85Å; L27-L64 HydrophobicContact CD1-CD1 3.8Å
28C95.9Very high92.5Very high45 Ų4564.8 Ų64.830%0.30434%0.344SS..Hα-helixtrans-61.6-39.4176.8-71.20000111.9A24 A32A24-C28 WeakPolarHBondContact O-CB 3.43Å; A24-C28 PolarHBondContact O-N 3.47Å; A24-C28 PolarHBondContact O-SG 3.45Å; A24-C28 VanDerWaalsContact O-SG 3.33Å; C28-A32 VanDerWaalsContact O-CB 3.23Å; C28-A32 WeakPolarHBondContact O-CB 3.46Å; C28-A32 PolarHBondContact O-N 3.24Å
29Y95.9Very high91.3Very high162 Ų16264.5 Ų64.564%0.63534%0.343SS*.Hα-helixtrans-63.3-49175.1174.3-99.8000111.9G25 I26 L27 A32 Y33G25-Y29 VanDerWaalsContact O-CB 3.3Å; G25-Y29 WeakPolarHBondContact O-CB 3.37Å; G25-Y29 PolarHBondContact O-N 3.3Å; I26-Y29 PolarHBondContact O-N 2.94Å; L27-Y29 VanDerWaalsContact C-N 3.31Å; L27-Y29 PolarHBondContact O-N 3.46Å; Y29-A32 PolarHBondContact O-N 2.9Å; Y29-Y33 VanDerWaalsContact O-CB 3.31Å; Y29-Y33 WeakPolarHBondContact O-CB 3.44Å; Y29-Y33 PolarHBondContact O-N 2.85Å
30V94.8Very high89.8Confident60 Ų6067.5 Ų67.536%0.36436%0.36SS..Hα-helixtrans-61.6-46.4177.9171.50000110.7I26 L27 A32 Y33 V34I26-V30 HydrophobicContact CG2-CG2 4.41Å; I26-V30 WeakPolarHBondContact O-CG2 3.38Å; I26-V30 PolarHBondContact O-N 2.89Å; L27-V30 PolarHBondContact O-N 3.37Å; V30-A32 PolarHBondContact O-N 2.91Å; V30-Y33 PolarHBondContact O-N 3.39Å; V30-V34 VanDerWaalsContact O-CG2 3.31Å; V30-V34 WeakPolarHBondContact O-CG2 3.32Å; V30-V34 PolarHBondContact O-N 3.38Å
31G93.8Very high88.2Confident0 Ų072.6 Ų72.60%038%0.38CS..Hα-helixtrans-61.5-43.5178.500000112.7L27 V34 F35L27-G31 PolarHBondContact O-N 2.92Å; G31-V34 PolarHBondContact O-N 3.35Å; G31-F35 PolarHBondContact O-N 2.89Å
32A92.3Very high86.1Confident41 Ų4171.1 Ų71.134%0.33938%0.379SS..Hα-helixtrans-66.3-40.7175.200000112.1C28 Y29 V30 V34 F35 I36C28-A32 VanDerWaalsContact O-CB 3.23Å; C28-A32 WeakPolarHBondContact O-CB 3.46Å; C28-A32 PolarHBondContact O-N 3.24Å; Y29-A32 PolarHBondContact O-N 2.9Å; V30-A32 PolarHBondContact O-N 2.91Å; A32-V34 VanDerWaalsContact C-N 3.33Å; A32-V34 PolarHBondContact O-N 3.08Å; A32-F35 PolarHBondContact O-N 3.26Å; A32-I36 VanDerWaalsContact O-CG1 3.29Å; A32-I36 WeakPolarHBondContact O-CG1 3.32Å; A32-I36 PolarHBondContact O-N 2.88Å
33Y92.2Very high84.1Confident140 Ų14078 Ų7855%0.54940%0.4SS..Hα-helixtrans-59.8-44.3175.6177-92.7000111.5Y29 V30 T37Y29-Y33 VanDerWaalsContact O-CB 3.31Å; Y29-Y33 WeakPolarHBondContact O-CB 3.44Å; Y29-Y33 PolarHBondContact O-N 2.85Å; V30-Y33 PolarHBondContact O-N 3.39Å; Y33-T37 WeakPolarHBondContact O-CB 3.28Å; Y33-T37 PolarHBondContact O-N 3.24Å; Y33-T37 PolarHBondContact O-OG1 3.21Å
34V88.6Confident81.9Confident41 Ų4181.6 Ų81.625%0.24841%0.41CS..Hα-helixtrans-61.2-48.1174.81740000110.1V30 G31 A32 I36 T37 Y38 A54V30-V34 VanDerWaalsContact O-CG2 3.31Å; V30-V34 WeakPolarHBondContact O-CG2 3.32Å; V30-V34 PolarHBondContact O-N 3.38Å; G31-V34 PolarHBondContact O-N 3.35Å; A32-V34 VanDerWaalsContact C-N 3.33Å; A32-V34 PolarHBondContact O-N 3.08Å; V34-I36 PolarHBondContact O-N 2.98Å; V34-T37 PolarHBondContact O-N 3.33Å; V34-Y38 HydrophobicContact CG1-CD2 3.52Å; V34-Y38 HydrophobicContact CG1-CE2 3.51Å; V34-Y38 WeakPolarHBondContact O-CD2 3.41Å; V34-Y38 PolarHBondContact O-N 3.24Å; V34-A54 HydrophobicContact CB-CB 4.09Å; V34-A54 HydrophobicContact CG1-CB 3.66Å
35F86.2Confident79.9Confident92 Ų9283.1 Ų83.140%0.40442%0.416SS..Hα-helixtrans-58.9-47179.2-163.9-87.1000112.7G31 A32 Y38 D39 L51G31-F35 PolarHBondContact O-N 2.89Å; A32-F35 PolarHBondContact O-N 3.26Å; F35-Y38 PolarHBondContact O-N 3.43Å; F35-D39 WeakPolarHBondContact O-CB 3.4Å; F35-D39 PolarHBondContact O-N 2.94Å; F35-L51 HydrophobicContact CD2-CD2 4.25Å; F35-L51 HydrophobicContact CE2-CD1 4.35Å; F35-L51 HydrophobicContact CE2-CD2 4.48Å
36I85Confident77.8Confident101 Ų10190.2 Ų90.252%0.51844%0.437SS..Hα-helixtrans-63.7-45.1178-67.1164000110.8A32 V34 Y38 D39 D40A32-I36 VanDerWaalsContact O-CG1 3.29Å; A32-I36 WeakPolarHBondContact O-CG1 3.32Å; A32-I36 PolarHBondContact O-N 2.88Å; V34-I36 PolarHBondContact O-N 2.98Å; I36-Y38 PolarHBondContact O-N 2.93Å; I36-D39 PolarHBondContact O-N 3.26Å; I36-D40 PolarHBondContact O-N 3.47Å
37T81.6Confident76.1Confident44 Ų4488.7 Ų88.727%0.2743%0.43SS..Hα-helixtrans-58.9-38.9177.8-55.80000110.3Y33 V34 Y41Y33-T37 WeakPolarHBondContact O-CB 3.28Å; Y33-T37 PolarHBondContact O-N 3.24Å; Y33-T37 PolarHBondContact O-OG1 3.21Å; V34-T37 PolarHBondContact O-N 3.33Å; T37-Y41 HydrophobicContact CG2-CD2 4.19Å; T37-Y41 HydrophobicContact CG2-CE2 3.85Å; T37-Y41 WeakPolarHBondContact O-CB 3.38Å; T37-Y41 WeakPolarHBondContact O-CD2 3.4Å
38Y72.9Confident74.6Confident72 Ų7291.6 Ų91.628%0.28245%0.45SS..Hα-helixtrans-75-36.1176.2-82.1-70.4000114V34 F35 I36 Y41 D42 F45 T50 L51V34-Y38 HydrophobicContact CG1-CD2 3.52Å; V34-Y38 HydrophobicContact CG1-CE2 3.51Å; V34-Y38 WeakPolarHBondContact O-CD2 3.41Å; V34-Y38 PolarHBondContact O-N 3.24Å; F35-Y38 PolarHBondContact O-N 3.43Å; I36-Y38 PolarHBondContact O-N 2.93Å; Y38-Y41 CarbonylContact O-C 3.54Å; Y38-Y41 VanDerWaalsContact O-C 3.3Å; Y38-Y41 VanDerWaalsContact O-CA 3.23Å; Y38-Y41 WeakPolarHBondContact O-CA 3.46Å; Y38-Y41 WeakPolarHBondContact O-CB 3.5Å; Y38-Y41 PolarHBondContact O-N 3.45Å; Y38-D42 PolarHBondContact O-N 3.26Å; Y38-F45 HydrophobicContact CD1-CD1 4.15Å; Y38-F45 HydrophobicContact CD1-CE1 4.04Å; Y38-F45 HydrophobicContact CE1-CD1 4.19Å; Y38-F45 AromaticContact CE1-CE1 3.91Å; Y38-F45 HydrophobicContact CE1-CE1 3.91Å; Y38-T50 HydrophobicContact CD1-CG2 3.92Å; Y38-T50 HydrophobicContact CE1-CG2 3.17Å; Y38-T50 HydrophobicContact CE2-CG2 4.14Å; Y38-T50 WeakPolarHBondContact OH-CG2 3.39Å; Y38-L51 HydrophobicContact CD2-CD2 4.22Å; Y38-L51 HydrophobicContact CG-CD2 4.06Å
39D69.6Low73.3Confident91 Ų9198.2 Ų98.249%0.48747%0.47SS..Hα-helixtrans-66.1-38.4177.5-171.848.1000112.1F35 I36 Y41 D42F35-D39 WeakPolarHBondContact O-CB 3.4Å; F35-D39 PolarHBondContact O-N 2.94Å; I36-D39 PolarHBondContact O-N 3.26Å; D39-Y41 PolarHBondContact O-N 3.28Å; D39-D42 WeakPolarHBondContact O-CB 3.4Å; D39-D42 PolarHBondContact O-N 2.91Å; D39-D42 VanDerWaalsContact O-N 3.16Å
40D64.6Low72.1Confident130 Ų13092.4 Ų92.470%0.69545%0.451SS*.THydrogen-bonded Turntrans-58.1-18.2169.7-79.5-25.5000112.7I36I36-D40 PolarHBondContact O-N 3.47Å
41Y60.9Low71.4Confident115 Ų11591.6 Ų91.645%0.45145%0.445SS..THydrogen-bonded Turntrans-106.5-22.3-171.8-98-26.1000111T37 Y38 D39 H43 F44 F45T37-Y41 HydrophobicContact CG2-CD2 4.19Å; T37-Y41 HydrophobicContact CG2-CE2 3.85Å; T37-Y41 WeakPolarHBondContact O-CB 3.38Å; T37-Y41 WeakPolarHBondContact O-CD2 3.4Å; Y38-Y41 CarbonylContact O-C 3.54Å; Y38-Y41 VanDerWaalsContact O-C 3.3Å; Y38-Y41 VanDerWaalsContact O-CA 3.23Å; Y38-Y41 WeakPolarHBondContact O-CA 3.46Å; Y38-Y41 WeakPolarHBondContact O-CB 3.5Å; Y38-Y41 PolarHBondContact O-N 3.45Å; D39-Y41 PolarHBondContact O-N 3.28Å; Y41-H43 PolarHBondContact O-N 3.4Å; Y41-F44 WeakPolarHBondContact O-CB 3.33Å; Y41-F44 PolarHBondContact O-N 2.84Å; Y41-F45 VanDerWaalsContact CB-CZ 3.46Å; Y41-F45 AromaticContact CD1-CE2 3.72Å; Y41-F45 HydrophobicContact CD1-CE2 3.72Å; Y41-F45 AromaticContact CD1-CZ 3.96Å; Y41-F45 HydrophobicContact CD1-CZ 3.96Å; Y41-F45 HydrophobicContact CD2-CE2 4.21Å; Y41-F45 AromaticContact CD2-CZ 3.83Å; Y41-F45 HydrophobicContact CD2-CZ 3.83Å; Y41-F45 HydrophobicContact CG-CD2 4.39Å; Y41-F45 AromaticContact CG-CE2 3.33Å; Y41-F45 HydrophobicContact CG-CE2 3.33Å; Y41-F45 AromaticContact CG-CZ 3.41Å; Y41-F45 HydrophobicContact CG-CZ 3.41Å; Y41-F45 VanDerWaalsContact CG-CZ 3.41Å; Y41-F45 WeakPolarHBondContact O-CD2 3.3Å; Y41-F45 VanDerWaalsContact O-CE2 3.26Å; Y41-F45 WeakPolarHBondContact O-CE2 3.32Å
42D52.6Low71.1Confident73 Ų7395.5 Ų95.539%0.3947%0.465SS..G310 helixtrans-46.8-25.8-172.3-98.610.7000115.4Y38 D39 F44 F45Y38-D42 PolarHBondContact O-N 3.26Å; D39-D42 WeakPolarHBondContact O-CB 3.4Å; D39-D42 PolarHBondContact O-N 2.91Å; D39-D42 VanDerWaalsContact O-N 3.16Å; D42-F44 PolarHBondContact O-N 2.71Å; D42-F45 PolarHBondContact O-N 3.02Å
43H53.3Low70.9Confident182 Ų18297.2 Ų97.284%0.84347%0.472SS*.G310 helixtrans-60.7-8.3169.1-75.765.4000113.7Y41Y41-H43 PolarHBondContact O-N 3.4Å
44F50.5Low70.8Confident112 Ų11290.6 Ų90.649%0.49145%0.447SS..G310 helixtrans-125.9-1.7-178.4-63.4-86.4000114.9Y41 D42 P131Y41-F44 WeakPolarHBondContact O-CB 3.33Å; Y41-F44 PolarHBondContact O-N 2.84Å; D42-F44 PolarHBondContact O-N 2.71Å; F44-P131 HydrophobicContact CD1-CB 4.4Å; F44-P131 VanDerWaalsContact O-O 3.09Å
45F55.2Low71Confident35 Ų3592.6 Ų92.615%0.15446%0.459CS..  trans-131.599.4-165.8-60.8-113.1000111.6Y38 Y41 D42Y38-F45 HydrophobicContact CD1-CD1 4.15Å; Y38-F45 HydrophobicContact CD1-CE1 4.04Å; Y38-F45 HydrophobicContact CE1-CD1 4.19Å; Y38-F45 AromaticContact CE1-CE1 3.91Å; Y38-F45 HydrophobicContact CE1-CE1 3.91Å; Y41-F45 VanDerWaalsContact CB-CZ 3.46Å; Y41-F45 AromaticContact CD1-CE2 3.72Å; Y41-F45 HydrophobicContact CD1-CE2 3.72Å; Y41-F45 AromaticContact CD1-CZ 3.96Å; Y41-F45 HydrophobicContact CD1-CZ 3.96Å; Y41-F45 HydrophobicContact CD2-CE2 4.21Å; Y41-F45 AromaticContact CD2-CZ 3.83Å; Y41-F45 HydrophobicContact CD2-CZ 3.83Å; Y41-F45 HydrophobicContact CG-CD2 4.39Å; Y41-F45 AromaticContact CG-CE2 3.33Å; Y41-F45 HydrophobicContact CG-CE2 3.33Å; Y41-F45 AromaticContact CG-CZ 3.41Å; Y41-F45 HydrophobicContact CG-CZ 3.41Å; Y41-F45 VanDerWaalsContact CG-CZ 3.41Å; Y41-F45 WeakPolarHBondContact O-CD2 3.3Å; Y41-F45 VanDerWaalsContact O-CE2 3.26Å; Y41-F45 WeakPolarHBondContact O-CE2 3.32Å; D42-F45 PolarHBondContact O-N 3.02Å
46E53.8Low71.4Confident194 Ų19492.1 Ų92.191%0.90746%0.463SS*.  trans-89.7-3.9176.4-74.9-168.3153.400114.3V48E46-V48 PolarHBondContact O-N 3.47Å
47D61.9Low71.8Confident80 Ų8089.7 Ų89.743%0.42845%0.451SS..  trans-89.4100.2-173.8-77.4-38.5000113.4Y49 T50 A133D47-Y49 PolarHBondContact O-N 3.18Å; D47-T50 VanDerWaalsContact O-CB 3.31Å; D47-T50 WeakPolarHBondContact O-CB 3.36Å; D47-T50 PolarHBondContact O-N 2.98Å; D47-T50 PolarHBondContact O-OG1 2.99Å; D47-A133 WeakPolarHBondContact OD2-CB 3.37Å
48V65.2Low72.5Confident114 Ų11490.5 Ų90.569%0.69145%0.453SS*.G310 helixtrans-45.4-31.2169.7175.10000112.8E46 T50 L51E46-V48 PolarHBondContact O-N 3.47Å; V48-T50 PolarHBondContact O-N 3.22Å; V48-L51 PolarHBondContact O-N 3.22Å
49Y68.3Low73.6Confident183 Ų18389.8 Ų89.872%0.71846%0.462SS*.G310 helixtrans-60.8-25.6179.1-64.8-74.1000113.8D47 I52D47-Y49 PolarHBondContact O-N 3.18Å; Y49-I52 HydrophobicContact CD1-CD1 3.8Å
50T70.8Confident74.8Confident40 Ų4088.7 Ų88.725%0.24546%0.458CS..G310 helixtrans-73-31-176.9-45.80000112.4Y38 D47 V48 P53Y38-T50 HydrophobicContact CD1-CG2 3.92Å; Y38-T50 HydrophobicContact CE1-CG2 3.17Å; Y38-T50 HydrophobicContact CE2-CG2 4.14Å; Y38-T50 WeakPolarHBondContact OH-CG2 3.39Å; D47-T50 VanDerWaalsContact O-CB 3.31Å; D47-T50 WeakPolarHBondContact O-CB 3.36Å; D47-T50 PolarHBondContact O-N 2.98Å; D47-T50 PolarHBondContact O-OG1 2.99Å; V48-T50 PolarHBondContact O-N 3.22Å; T50-P53 WeakPolarHBondContact O-CD 3.35Å
51L81.2Confident76.4Confident44 Ų4482.5 Ų82.523%0.2343%0.425CS..THydrogen-bonded Turntrans-85.9-14.3-179.4-66.8176.3000113.3F35 Y38 V48 A54 V55F35-L51 HydrophobicContact CD2-CD2 4.25Å; F35-L51 HydrophobicContact CE2-CD1 4.35Å; F35-L51 HydrophobicContact CE2-CD2 4.48Å; Y38-L51 HydrophobicContact CD2-CD2 4.22Å; Y38-L51 HydrophobicContact CG-CD2 4.06Å; V48-L51 PolarHBondContact O-N 3.22Å; L51-A54 WeakPolarHBondContact O-CB 3.39Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-A54 VanDerWaalsContact O-N 3.14Å; L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 2.95Å
52I86.3Confident78.1Confident81 Ų8179.1 Ų79.142%0.41542%0.421SS..Hα-helixtrans-54-48.3-178-62.8177.6000112Y49 A54 V55 V56Y49-I52 HydrophobicContact CD1-CD1 3.8Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.47Å; I52-V55 PolarHBondContact O-N 3.45Å; I52-V56 HydrophobicContact CG2-CG2 4.35Å; I52-V56 WeakPolarHBondContact O-CG2 3.39Å; I52-V56 PolarHBondContact O-N 2.81Å
53P87.8Confident80.1Confident77 Ų7780.1 Ų80.150%0.543%0.426SS..Hα-helixtrans-60.9-40.2179.5-23.235.4000113T50 V56 I57T50-P53 WeakPolarHBondContact O-CD 3.35Å; P53-V56 PolarHBondContact O-N 3.48Å; P53-I57 VanDerWaalsContact O-CG1 3.25Å; P53-I57 WeakPolarHBondContact O-CG1 3.38Å; P53-I57 PolarHBondContact O-N 3.2Å
54A91.2Very high82.2Confident2 Ų272.1 Ų72.12%0.01739%0.389CS..Hα-helixtrans-63.6-44.9179.200000111.5V34 L51 I52 V56 I57 I58V34-A54 HydrophobicContact CB-CB 4.09Å; V34-A54 HydrophobicContact CG1-CB 3.66Å; L51-A54 WeakPolarHBondContact O-CB 3.39Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-A54 VanDerWaalsContact O-N 3.14Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.47Å; A54-V56 VanDerWaalsContact C-N 3.35Å; A54-V56 PolarHBondContact O-N 3.46Å; A54-I57 PolarHBondContact O-N 2.99Å; A54-I58 WeakPolarHBondContact O-CG1 3.35Å; A54-I58 PolarHBondContact O-N 2.93Å
55V92.3Very high84.3Confident83 Ų8371 Ų7150%0.50338%0.384SS..Hα-helixtrans-61.6-43.3176.9174.60000111.1L51 I52 I58 A59L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 2.95Å; I52-V55 PolarHBondContact O-N 3.45Å; V55-I58 PolarHBondContact O-N 3.31Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.37Å
56V93.9Very high86.3Confident82 Ų8273.6 Ų73.650%0.49740%0.399SS..Hα-helixtrans-61.8-44.3176.7171.90000111.2I52 P53 A54 I58 A59 V60I52-V56 HydrophobicContact CG2-CG2 4.35Å; I52-V56 WeakPolarHBondContact O-CG2 3.39Å; I52-V56 PolarHBondContact O-N 2.81Å; P53-V56 PolarHBondContact O-N 3.48Å; A54-V56 VanDerWaalsContact C-N 3.35Å; A54-V56 PolarHBondContact O-N 3.46Å; V56-I58 PolarHBondContact O-N 3.45Å; V56-A59 PolarHBondContact O-N 3.4Å; V56-V60 HydrophobicContact CG1-CG2 4.46Å; V56-V60 WeakPolarHBondContact O-CG2 3.37Å; V56-V60 PolarHBondContact O-N 2.87Å
57I94.3Very high88.2Confident50 Ų5064.7 Ų64.726%0.25636%0.357SS..Hα-helixtrans-58.9-46.3177.5-72.1165.6000111.2L27 P53 A54 V60 G61L27-I57 HydrophobicContact CB-CG2 4.12Å; L27-I57 HydrophobicContact CD2-CG2 4.18Å; L27-I57 WeakPolarHBondContact O-CG2 3.49Å; P53-I57 VanDerWaalsContact O-CG1 3.25Å; P53-I57 WeakPolarHBondContact O-CG1 3.38Å; P53-I57 PolarHBondContact O-N 3.2Å; A54-I57 PolarHBondContact O-N 2.99Å; I57-V60 PolarHBondContact O-N 3.48Å; I57-G61 PolarHBondContact O-N 2.91Å
58I95.4Very high89.8Confident61 Ų6160.9 Ų60.931%0.31334%0.337SS..Hα-helixtrans-64-44.2178.3-65.6170.9000110.9A54 V55 V56 V60 G61 A62A54-I58 WeakPolarHBondContact O-CG1 3.35Å; A54-I58 PolarHBondContact O-N 2.93Å; V55-I58 PolarHBondContact O-N 3.31Å; V56-I58 PolarHBondContact O-N 3.45Å; I58-V60 VanDerWaalsContact C-N 3.35Å; I58-V60 PolarHBondContact O-N 3.47Å; I58-G61 PolarHBondContact O-N 2.98Å; I58-A62 PolarHBondContact O-N 3.21Å
59A95.8Very high91.2Very high57 Ų5758.5 Ų58.547%0.47132%0.32SS..Hα-helixtrans-61.3-42.5179.200000112.1V55 V56 A62 L63V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.37Å; V56-A59 PolarHBondContact O-N 3.4Å; A59-A62 PolarHBondContact O-N 3.43Å; A59-L63 PolarHBondContact O-N 3.18Å
60V95.7Very high92.4Very high67 Ų6752.6 Ų52.641%0.40630%0.3SS..Hα-helixtrans-64.2-43.5174.6174.20000110.9L27 V56 I57 I58 A62 L63 L64L27-V60 HydrophobicContact CD1-CB 4.49Å; L27-V60 HydrophobicContact CD1-CG1 3.85Å; V56-V60 HydrophobicContact CG1-CG2 4.46Å; V56-V60 WeakPolarHBondContact O-CG2 3.37Å; V56-V60 PolarHBondContact O-N 2.87Å; I57-V60 PolarHBondContact O-N 3.48Å; I58-V60 VanDerWaalsContact C-N 3.35Å; I58-V60 PolarHBondContact O-N 3.47Å; V60-A62 PolarHBondContact O-N 3.4Å; V60-L63 PolarHBondContact O-N 2.99Å; V60-L64 HydrophobicContact CG1-CD1 4.33Å; V60-L64 HydrophobicContact CG1-CG 4.46Å; V60-L64 WeakPolarHBondContact O-CG 3.31Å; V60-L64 PolarHBondContact O-N 3.49Å
61G97.4Very high93.6Very high0 Ų050.7 Ų50.70%029%0.289CS..Hα-helixtrans-57.6-46.6175.400000112.6A24 I57 I58 L63 L64 F65A24-G61 VanDerWaalsContact CB-O 3.23Å; A24-G61 WeakPolarHBondContact CB-O 3.31Å; I57-G61 PolarHBondContact O-N 2.91Å; I58-G61 PolarHBondContact O-N 2.98Å; G61-L63 PolarHBondContact O-N 3.3Å; G61-L64 PolarHBondContact O-N 3.03Å; G61-F65 PolarHBondContact O-N 3.43Å
62A96.4Very high94.2Very high45 Ų4549.9 Ų49.937%0.37229%0.286SS..Hα-helixtrans-61.8-42176.200000112.5I58 A59 V60 F65 I66I58-A62 PolarHBondContact O-N 3.21Å; A59-A62 PolarHBondContact O-N 3.43Å; V60-A62 PolarHBondContact O-N 3.4Å; A62-F65 PolarHBondContact O-N 3.27Å; A62-I66 WeakPolarHBondContact O-CG1 3.46Å; A62-I66 PolarHBondContact O-N 3.39Å; A62-I66 VanDerWaalsContact O-N 3.1Å
63L95.7Very high94.5Very high93 Ų9348.8 Ų48.849%0.48729%0.285SS..Hα-helixtrans-61.5-46.5176.5-179.263.7000111.6A59 V60 G61 F65 I66 I67A59-L63 PolarHBondContact O-N 3.18Å; V60-L63 PolarHBondContact O-N 2.99Å; G61-L63 PolarHBondContact O-N 3.3Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 3.07Å; L63-I66 PolarHBondContact O-N 2.76Å; L63-I67 HydrophobicContact CD1-CD1 4.17Å; L63-I67 HydrophobicContact CD1-CG1 4.42Å; L63-I67 HydrophobicContact CG-CD1 3.91Å; L63-I67 VanDerWaalsContact O-CG1 3.27Å; L63-I67 WeakPolarHBondContact O-CG1 3.37Å; L63-I67 PolarHBondContact O-N 2.99Å
64L96.5Very high94.8Very high15 Ų1545.3 Ų45.38%0.07926%0.263CS..Hα-helixtrans-61.2-38.8177.4-70.9179.3000112.3F20 A23 A24 L27 V60 G61 I67 G68 F219F20-L64 HydrophobicContact CD1-CD2 4.46Å; A23-L64 HydrophobicContact CB-CD1 4.17Å; A24-L64 HydrophobicContact CB-CB 4Å; L27-L64 HydrophobicContact CD1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CD1 4.33Å; V60-L64 HydrophobicContact CG1-CG 4.46Å; V60-L64 WeakPolarHBondContact O-CG 3.31Å; V60-L64 PolarHBondContact O-N 3.49Å; G61-L64 PolarHBondContact O-N 3.03Å; L64-I67 PolarHBondContact O-N 3.28Å; L64-G68 PolarHBondContact O-N 2.86Å; L64-F219 HydrophobicContact CD2-CE2 4.05Å; L64-F219 HydrophobicContact CD2-CZ 4.02Å
65F96.4Very high94.9Very high87 Ų8745.6 Ų45.638%0.38227%0.265SS..Hα-helixtrans-61.7-46.2175.7-179.8-108.2000111.9W21 A24 G61 A62 L63 G68 L69W21-F65 HydrophobicContact CD2-CD2 4.33Å; W21-F65 HydrophobicContact CD2-CE2 4.11Å; W21-F65 AromaticContact CE2-CE2 3.83Å; W21-F65 HydrophobicContact CE3-CE2 4.42Å; W21-F65 HydrophobicContact CG-CD2 4.44Å; W21-F65 HydrophobicContact CH2-CE2 4.27Å; W21-F65 AromaticContact CZ2-CE2 3.95Å; W21-F65 HydrophobicContact CZ2-CE2 3.95Å; W21-F65 HydrophobicContact CZ2-CZ 4.48Å; W21-F65 HydrophobicContact CZ3-CE2 4.49Å; A24-F65 HydrophobicContact CB-CB 3.94Å; G61-F65 PolarHBondContact O-N 3.43Å; A62-F65 PolarHBondContact O-N 3.27Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 3.07Å; F65-G68 PolarHBondContact O-N 3.5Å; F65-L69 HydrophobicContact CD1-CD1 3.81Å; F65-L69 HydrophobicContact CE1-CD1 3.26Å; F65-L69 HydrophobicContact CE1-CG 4.2Å; F65-L69 HydrophobicContact CE2-CD1 4.34Å; F65-L69 HydrophobicContact CE2-CG 4.46Å; F65-L69 HydrophobicContact CZ-CD1 3.57Å; F65-L69 HydrophobicContact CZ-CG 4.1Å; F65-L69 WeakPolarHBondContact O-CB 3.36Å; F65-L69 PolarHBondContact O-N 2.89Å
66I95.3Very high94.8Very high91 Ų9147.1 Ų47.147%0.46727%0.269SS..Hα-helixtrans-62.2-46.1177.5-66.1166.4000110.7A62 L63 G68 L69 I70A62-I66 WeakPolarHBondContact O-CG1 3.46Å; A62-I66 PolarHBondContact O-N 3.39Å; A62-I66 VanDerWaalsContact O-N 3.1Å; L63-I66 PolarHBondContact O-N 2.76Å; I66-G68 VanDerWaalsContact C-N 3.34Å; I66-G68 PolarHBondContact O-N 3.49Å; I66-L69 WeakPolarHBondContact O-CB 3.49Å; I66-L69 PolarHBondContact O-N 2.81Å; I66-I70 HydrophobicContact CG2-CD1 3.91Å; I66-I70 WeakPolarHBondContact O-CG1 3.45Å; I66-I70 PolarHBondContact O-N 2.93Å
67I95.3Very high94.7Very high6 Ų652.9 Ų52.93%0.03128%0.282CS..Hα-helixtrans-59.3-47.3177.5-67.3172.4000110.4F20 L63 L64 L69 I70 G71 F86 I89 L90 V93F20-I67 HydrophobicContact CD2-CG2 4.25Å; F20-I67 HydrophobicContact CE2-CG2 4.27Å; L63-I67 HydrophobicContact CD1-CD1 4.17Å; L63-I67 HydrophobicContact CD1-CG1 4.42Å; L63-I67 HydrophobicContact CG-CD1 3.91Å; L63-I67 VanDerWaalsContact O-CG1 3.27Å; L63-I67 WeakPolarHBondContact O-CG1 3.37Å; L63-I67 PolarHBondContact O-N 2.99Å; L64-I67 PolarHBondContact O-N 3.28Å; I67-L69 PolarHBondContact O-N 3.45Å; I67-I70 PolarHBondContact O-N 3.05Å; I67-G71 PolarHBondContact O-N 3.42Å; I67-F86 HydrophobicContact CG2-CD2 4.43Å; I67-F86 HydrophobicContact CG2-CE2 3.9Å; I67-I89 HydrophobicContact CD1-CG2 3.95Å; I67-I89 HydrophobicContact CG1-CG2 3.78Å; I67-L90 HydrophobicContact CG2-CD2 4.24Å; I67-V93 HydrophobicContact CD1-CG2 4Å
68G95.5Very high94.3Very high0 Ų054.2 Ų54.20%029%0.287CS..Hα-helixtrans-63.3-38.917800000113.1L64 F65 I66 G71 C72L64-G68 PolarHBondContact O-N 2.86Å; F65-G68 PolarHBondContact O-N 3.5Å; I66-G68 VanDerWaalsContact C-N 3.34Å; I66-G68 PolarHBondContact O-N 3.49Å; G68-G71 PolarHBondContact O-N 3.18Å; G68-C72 WeakPolarHBondContact O-CB 3.16Å; G68-C72 PolarHBondContact O-N 3Å
69L94.1Very high94Very high64 Ų6453.5 Ų53.534%0.33529%0.288SS..Hα-helixtrans-61.3-49.2174.3-95.8170.9000111.7W21 F65 I66 I67 C73W21-L69 HydrophobicContact CH2-CD2 4.32Å; W21-L69 HydrophobicContact CZ2-CD2 3.57Å; W21-L69 HydrophobicContact CZ2-CG 3.72Å; F65-L69 HydrophobicContact CD1-CD1 3.81Å; F65-L69 HydrophobicContact CE1-CD1 3.26Å; F65-L69 HydrophobicContact CE1-CG 4.2Å; F65-L69 HydrophobicContact CE2-CD1 4.34Å; F65-L69 HydrophobicContact CE2-CG 4.46Å; F65-L69 HydrophobicContact CZ-CD1 3.57Å; F65-L69 HydrophobicContact CZ-CG 4.1Å; F65-L69 WeakPolarHBondContact O-CB 3.36Å; F65-L69 PolarHBondContact O-N 2.89Å; I66-L69 WeakPolarHBondContact O-CB 3.49Å; I66-L69 PolarHBondContact O-N 2.81Å; I67-L69 PolarHBondContact O-N 3.45Å; L69-C73 VanDerWaalsContact O-CB 3.29Å; L69-C73 WeakPolarHBondContact O-CB 3.21Å; L69-C73 PolarHBondContact O-N 3.31Å; L69-C73 PolarHBondContact O-SG 3.32Å
70I93.9Very high93.6Very high59 Ų5954.3 Ų54.330%0.30328%0.278SS..Hα-helixtrans-61.1-48.8178-67.2169.1000109.6I66 I67 C72 C73 A74 F86 I89I66-I70 HydrophobicContact CG2-CD1 3.91Å; I66-I70 WeakPolarHBondContact O-CG1 3.45Å; I66-I70 PolarHBondContact O-N 2.93Å; I67-I70 PolarHBondContact O-N 3.05Å; I70-C72 PolarHBondContact O-N 2.94Å; I70-C73 PolarHBondContact O-N 3.41Å; I70-A74 WeakPolarHBondContact O-CB 3.4Å; I70-A74 PolarHBondContact O-N 2.94Å; I70-F86 HydrophobicContact CG2-CB 4.4Å; I70-I89 HydrophobicContact CD1-CD1 3.91Å
71G94.7Very high93.4Very high0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-62.4-43.4-179.500000113.2N17 I67 G68 T75 F86N17-G71 VanDerWaalsContact ND2-C 3.33Å; N17-G71 WeakPolarHBondContact OD1-CA 3.21Å; I67-G71 PolarHBondContact O-N 3.42Å; G68-G71 PolarHBondContact O-N 3.18Å; G71-T75 VanDerWaalsContact O-CB 3.3Å; G71-T75 WeakPolarHBondContact O-CB 3.08Å; G71-T75 PolarHBondContact O-N 3.48Å; G71-T75 PolarHBondContact O-OG1 3.26Å; G71-F86 VanDerWaalsContact CA-CD2 3.45Å
72C93.9Very high93.2Very high27 Ų2756.3 Ų56.318%0.18230%0.297CS..Hα-helixtrans-64.5-50.4176.6-1710000111.4N17 G68 I70 A74 T75 I76N17-C72 HydrophobicContact CB-CB 4.33Å; G68-C72 WeakPolarHBondContact O-CB 3.16Å; G68-C72 PolarHBondContact O-N 3Å; I70-C72 PolarHBondContact O-N 2.94Å; C72-A74 PolarHBondContact O-N 3.37Å; C72-T75 PolarHBondContact O-N 2.96Å; C72-I76 WeakPolarHBondContact O-CB 3.4Å; C72-I76 WeakPolarHBondContact O-CG1 3.42Å; C72-I76 PolarHBondContact O-N 2.91Å; C72-I76 VanDerWaalsContact SG-CD1 3.51Å
73C93.5Very high93.1Very high58 Ų5854.2 Ų54.239%0.39228%0.279SS..Hα-helixtrans-60.4-44.4177.2-690000112.1L69 I70 T75 R77L69-C73 VanDerWaalsContact O-CB 3.29Å; L69-C73 WeakPolarHBondContact O-CB 3.21Å; L69-C73 PolarHBondContact O-N 3.31Å; L69-C73 PolarHBondContact O-SG 3.32Å; I70-C73 PolarHBondContact O-N 3.41Å; C73-T75 VanDerWaalsContact C-N 3.32Å; C73-T75 PolarHBondContact O-N 3.01Å; C73-R77 WeakPolarHBondContact O-CB 3.29Å; C73-R77 WeakPolarHBondContact O-CG 3.45Å; C73-R77 PolarHBondContact O-N 2.98Å
74A93.3Very high93Very high5 Ų551.6 Ų51.64%0.04127%0.271CS..Hα-helixtrans-62.6-3917900000112.3I70 C72 E78 S79 G82 L83I70-A74 WeakPolarHBondContact O-CB 3.4Å; I70-A74 PolarHBondContact O-N 2.94Å; C72-A74 PolarHBondContact O-N 3.37Å; A74-E78 VanDerWaalsContact O-CA 3.32Å; A74-E78 WeakPolarHBondContact O-CA 3.33Å; A74-E78 PolarHBondContact O-N 3.48Å; A74-S79 PolarHBondContact O-N 3.34Å; A74-G82 WeakPolarHBondContact CB-O 3.49Å; A74-L83 HydrophobicContact CB-CD2 4.07Å; A74-L83 HydrophobicContact CB-CG 4.13Å
75T93.7Very high92.9Very high7 Ų753.6 Ų53.64%0.04328%0.284CS..Hα-helixtrans-74.2-47.3180-55.10000111.7K10 L13 V14 G71 C72 C73 E78K10-T75 HydrophobicContact CB-CG2 4.11Å; K10-T75 HydrophobicContact CG-CG2 4.2Å; L13-T75 HydrophobicContact CB-CG2 3.92Å; L13-T75 HydrophobicContact CD1-CG2 4.25Å; V14-T75 HydrophobicContact CG2-CG2 3.84Å; G71-T75 VanDerWaalsContact O-CB 3.3Å; G71-T75 WeakPolarHBondContact O-CB 3.08Å; G71-T75 PolarHBondContact O-N 3.48Å; G71-T75 PolarHBondContact O-OG1 3.26Å; C72-T75 PolarHBondContact O-N 2.96Å; C73-T75 VanDerWaalsContact C-N 3.32Å; C73-T75 PolarHBondContact O-N 3.01Å; T75-E78 WeakPolarHBondContact O-CG 3.44Å; T75-E78 PolarHBondContact O-N 2.88Å
76I91Very high92.9Very high116 Ų11649.6 Ų49.660%0.59527%0.266SS*.Hα-helixtrans-67.8-46.9-179.1-67171.9000111.3C72 E78C72-I76 WeakPolarHBondContact O-CB 3.4Å; C72-I76 WeakPolarHBondContact O-CG1 3.42Å; C72-I76 PolarHBondContact O-N 2.91Å; C72-I76 VanDerWaalsContact SG-CD1 3.51Å; I76-E78 PolarHBondContact O-N 2.99Å
77R90.2Very high92.9Very high203 Ų20346.5 Ų46.577%0.76625%0.252SS*.THydrogen-bonded Turntrans-73.7-9.1178.4-66.7-176.5170.7179.5-2112.6C73 S79C73-R77 WeakPolarHBondContact O-CB 3.29Å; C73-R77 WeakPolarHBondContact O-CG 3.45Å; C73-R77 PolarHBondContact O-N 2.98Å; R77-S79 VanDerWaalsContact C-N 3.35Å; R77-S79 PolarHBondContact O-N 2.85Å
78E86.1Confident93Very high77 Ų7751 Ų5136%0.3628%0.275SS..THydrogen-bonded Turntrans44.165.1-169.9-55.4-175.4-159.700108.4K10 A74 T75 I76 R237K10-E78 VanDerWaalsContact CE-CD 3.48Å; K10-E78 WeakPolarHBondContact CE-OE1 3.33Å; K10-E78 IonicContact NZ-OE1 3.21Å; K10-E78 PolarHBondContact NZ-OE1 3.5Å; K10-E78 IonicContact NZ-OE2 3.99Å; K10-E78 PolarHBondContact NZ-OE2 2.89Å; A74-E78 VanDerWaalsContact O-CA 3.32Å; A74-E78 WeakPolarHBondContact O-CA 3.33Å; A74-E78 PolarHBondContact O-N 3.48Å; T75-E78 WeakPolarHBondContact O-CG 3.44Å; T75-E78 PolarHBondContact O-N 2.88Å; I76-E78 PolarHBondContact O-N 2.99Å; E78-R237 VanDerWaalsContact C-NH1 3.28Å; E78-R237 PolarHBondContact O-NH1 3.18Å; E78-R237 PolarHBondContact O-NH2 2.97Å
79S88.8Confident93Very high47 Ų4753.2 Ų53.233%0.32929%0.286SS..  trans-98.9124.4178.1176.50000109.3A74 R77 G82 L83A74-S79 PolarHBondContact O-N 3.34Å; R77-S79 VanDerWaalsContact C-N 3.35Å; R77-S79 PolarHBondContact O-N 2.85Å; S79-G82 PolarHBondContact O-N 3.35Å; S79-G82 PolarHBondContact OG-N 3.32Å; S79-L83 WeakPolarHBondContact O-CB 3.42Å; S79-L83 WeakPolarHBondContact O-CG 3.4Å; S79-L83 PolarHBondContact O-N 3.34Å
80R88.5Confident93.1Very high73 Ų7350.3 Ų50.328%0.27527%0.271SS..Hα-helixtrans-62.3-48.9177.4-71.1-169177.8-174.8-4.9111.4G82 L83 A84 L234 R237R80-G82 VanDerWaalsContact C-N 3.33Å; R80-G82 PolarHBondContact O-N 2.92Å; R80-L83 PolarHBondContact O-N 3.45Å; R80-A84 WeakPolarHBondContact O-CB 3.45Å; R80-A84 PolarHBondContact O-N 3.47Å; R80-L234 HydrophobicContact CB-CD2 4.41Å; R80-R237 PolarHBondContact NH2-O 3.09Å
81C91.3Very high93.3Very high94 Ų9451.8 Ų51.864%0.63528%0.279SS*.Hα-helixtrans-60.1-45.4177.7-1750000110.4L83 A84 T85C81-L83 PolarHBondContact O-N 2.91Å; C81-A84 PolarHBondContact O-N 3.45Å; C81-T85 WeakPolarHBondContact O-CG2 3.37Å; C81-T85 PolarHBondContact O-N 3.4Å; C81-T85 PolarHBondContact O-OG1 3.01Å
82G92.7Very high93.4Very high15 Ų1557 Ų5716%0.15531%0.306CS..Hα-helixtrans-64.8-38.4178.400000114.4A74 S79 R80 T85 F86A74-G82 WeakPolarHBondContact CB-O 3.49Å; S79-G82 PolarHBondContact O-N 3.35Å; S79-G82 PolarHBondContact OG-N 3.32Å; R80-G82 VanDerWaalsContact C-N 3.33Å; R80-G82 PolarHBondContact O-N 2.92Å; G82-T85 WeakPolarHBondContact CA-OG1 3.35Å; G82-T85 PolarHBondContact O-OG1 3.27Å; G82-F86 WeakPolarHBondContact O-CB 3.41Å; G82-F86 PolarHBondContact O-N 3.43Å
83L93.8Very high93.5Very high1 Ų157.1 Ų57.11%0.00531%0.306CS..Hα-helixtrans-71.1-37.4176.3-77170.6000111.2A74 S79 R80 C81 F86 V87 V233 L234A74-L83 HydrophobicContact CB-CD2 4.07Å; A74-L83 HydrophobicContact CB-CG 4.13Å; S79-L83 WeakPolarHBondContact O-CB 3.42Å; S79-L83 WeakPolarHBondContact O-CG 3.4Å; S79-L83 PolarHBondContact O-N 3.34Å; R80-L83 PolarHBondContact O-N 3.45Å; C81-L83 PolarHBondContact O-N 2.91Å; L83-F86 PolarHBondContact O-N 2.98Å; L83-V87 WeakPolarHBondContact O-CG2 3.39Å; L83-V87 PolarHBondContact O-N 3.29Å; L83-V233 HydrophobicContact CD1-CB 4.39Å; L83-V233 HydrophobicContact CD1-CG1 3.67Å; L83-L234 HydrophobicContact CB-CD1 4.11Å; L83-L234 HydrophobicContact CB-CD2 3.64Å; L83-L234 HydrophobicContact CB-CG 3.85Å; L83-L234 HydrophobicContact CD1-CD2 4.24Å; L83-L234 HydrophobicContact CD1-CG 4.42Å
84A94.5Very high93.7Very high39 Ų3957 Ų5732%0.32230%0.299SS..Hα-helixtrans-64.8-44.2175.200000111.6R80 C81 F86 V87 I88R80-A84 WeakPolarHBondContact O-CB 3.45Å; R80-A84 PolarHBondContact O-N 3.47Å; C81-A84 PolarHBondContact O-N 3.45Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 2.93Å; A84-V87 PolarHBondContact O-N 3.47Å; A84-I88 VanDerWaalsContact O-CG1 3.31Å; A84-I88 WeakPolarHBondContact O-CG1 3.45Å; A84-I88 PolarHBondContact O-N 2.92Å
85T94.6Very high93.9Very high57 Ų5760.2 Ų60.235%0.3532%0.318SS..Hα-helixtrans-63-40.8174.755.70000111.6C81 G82 V87 I88 I89C81-T85 WeakPolarHBondContact O-CG2 3.37Å; C81-T85 PolarHBondContact O-N 3.4Å; C81-T85 PolarHBondContact O-OG1 3.01Å; G82-T85 WeakPolarHBondContact CA-OG1 3.35Å; G82-T85 PolarHBondContact O-OG1 3.27Å; T85-V87 PolarHBondContact O-N 3.17Å; T85-I88 PolarHBondContact O-N 2.86Å; T85-I89 WeakPolarHBondContact O-CD1 3.38Å; T85-I89 VanDerWaalsContact O-CG1 3.23Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 2.87Å
86F95.4Very high94Very high2 Ų264 Ų641%0.00934%0.341CS..Hα-helixtrans-58.6-45.6174.4179.6-113.3000112.4L13 I67 I70 G71 G82 L83 A84 I89 L90 A230L13-F86 HydrophobicContact CD2-CE1 4.03Å; I67-F86 HydrophobicContact CG2-CD2 4.43Å; I67-F86 HydrophobicContact CG2-CE2 3.9Å; I70-F86 HydrophobicContact CG2-CB 4.4Å; G71-F86 VanDerWaalsContact CA-CD2 3.45Å; G82-F86 WeakPolarHBondContact O-CB 3.41Å; G82-F86 PolarHBondContact O-N 3.43Å; L83-F86 PolarHBondContact O-N 2.98Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 2.93Å; F86-I89 PolarHBondContact O-N 3.21Å; F86-L90 HydrophobicContact CD1-CD1 4.12Å; F86-L90 HydrophobicContact CD2-CG 4.49Å; F86-L90 HydrophobicContact CE1-CD1 3.51Å; F86-L90 HydrophobicContact CE1-CG 4.23Å; F86-L90 HydrophobicContact CE2-CD1 4.22Å; F86-L90 HydrophobicContact CE2-CD2 4.23Å; F86-L90 HydrophobicContact CE2-CG 4.13Å; F86-L90 HydrophobicContact CZ-CD1 3.58Å; F86-L90 HydrophobicContact CZ-CD2 4.23Å; F86-L90 HydrophobicContact CZ-CG 4Å; F86-L90 WeakPolarHBondContact O-CG 3.47Å; F86-L90 PolarHBondContact O-N 3.27Å; F86-A230 HydrophobicContact CD1-CB 4.34Å
87V96.4Very high94.2Very high26 Ų2659.8 Ų59.816%0.15832%0.319CS..Hα-helixtrans-62.3-44.2176.1171.20000111.6L83 A84 T85 I89 L90 L91 M227 A230 L234L83-V87 WeakPolarHBondContact O-CG2 3.39Å; L83-V87 PolarHBondContact O-N 3.29Å; A84-V87 PolarHBondContact O-N 3.47Å; T85-V87 PolarHBondContact O-N 3.17Å; V87-I89 VanDerWaalsContact C-N 3.32Å; V87-I89 PolarHBondContact O-N 3.41Å; V87-L90 PolarHBondContact O-N 3.35Å; V87-L91 WeakPolarHBondContact O-CB 3.5Å; V87-L91 PolarHBondContact O-N 3.43Å; V87-M227 HydrophobicContact CG1-CG 4.48Å; V87-A230 HydrophobicContact CG2-CB 3.44Å; V87-A230 VanDerWaalsContact CG2-CB 3.44Å; V87-L234 HydrophobicContact CG2-CD1 4.32Å
88I96.9Very high94.4Very high100 Ų10053.3 Ų53.351%0.51330%0.302SS..Hα-helixtrans-60.5-44177.4-68.5165.1000110.4A84 T85 L91 L92A84-I88 VanDerWaalsContact O-CG1 3.31Å; A84-I88 WeakPolarHBondContact O-CG1 3.45Å; A84-I88 PolarHBondContact O-N 2.92Å; T85-I88 PolarHBondContact O-N 2.86Å; I88-L91 PolarHBondContact O-N 3.04Å; I88-L92 HydrophobicContact CG2-CD1 4.26Å; I88-L92 WeakPolarHBondContact O-CG 3.23Å; I88-L92 PolarHBondContact O-N 3.31Å
89I96.4Very high94.9Very high47 Ų4753 Ų5324%0.24131%0.306CS..Hα-helixtrans-62.9-47.9178-67.7163.6000110.8I67 I70 T85 F86 V87 L91 L92 V93I67-I89 HydrophobicContact CD1-CG2 3.95Å; I67-I89 HydrophobicContact CG1-CG2 3.78Å; I70-I89 HydrophobicContact CD1-CD1 3.91Å; T85-I89 WeakPolarHBondContact O-CD1 3.38Å; T85-I89 VanDerWaalsContact O-CG1 3.23Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 2.87Å; F86-I89 PolarHBondContact O-N 3.21Å; V87-I89 VanDerWaalsContact C-N 3.32Å; V87-I89 PolarHBondContact O-N 3.41Å; I89-L91 VanDerWaalsContact C-N 3.28Å; I89-L91 PolarHBondContact O-N 3.35Å; I89-L92 PolarHBondContact O-N 2.89Å; I89-L92 VanDerWaalsContact O-N 3.17Å; I89-V93 HydrophobicContact CG2-CG2 4.49Å; I89-V93 WeakPolarHBondContact O-CG2 3.33Å; I89-V93 PolarHBondContact O-N 2.97Å
90L96.5Very high95.1Very high3 Ų355.2 Ų55.22%0.01632%0.317CS..Hα-helixtrans-59.4-39.3176.8-71.5-174.8000112.2F20 I67 F86 V87 V93 F94 Q223 M227F20-L90 HydrophobicContact CE2-CD2 4.13Å; F20-L90 HydrophobicContact CZ-CD2 4.36Å; I67-L90 HydrophobicContact CG2-CD2 4.24Å; F86-L90 HydrophobicContact CD1-CD1 4.12Å; F86-L90 HydrophobicContact CD2-CG 4.49Å; F86-L90 HydrophobicContact CE1-CD1 3.51Å; F86-L90 HydrophobicContact CE1-CG 4.23Å; F86-L90 HydrophobicContact CE2-CD1 4.22Å; F86-L90 HydrophobicContact CE2-CD2 4.23Å; F86-L90 HydrophobicContact CE2-CG 4.13Å; F86-L90 HydrophobicContact CZ-CD1 3.58Å; F86-L90 HydrophobicContact CZ-CD2 4.23Å; F86-L90 HydrophobicContact CZ-CG 4Å; F86-L90 WeakPolarHBondContact O-CG 3.47Å; F86-L90 PolarHBondContact O-N 3.27Å; V87-L90 PolarHBondContact O-N 3.35Å; L90-V93 PolarHBondContact O-N 3.46Å; L90-F94 WeakPolarHBondContact O-CB 3.4Å; L90-F94 PolarHBondContact O-N 3.48Å; L90-Q223 HydrophobicContact CD2-CG 4.44Å; L90-M227 HydrophobicContact CB-CG 3.67Å; L90-M227 HydrophobicContact CB-SD 4.12Å; L90-M227 HydrophobicContact CD1-CG 3.93Å; L90-M227 HydrophobicContact CG-CG 4.49Å
91L97.2Very high95.3Very high90 Ų9055.8 Ų55.847%0.47133%0.328SS..Hα-helixtrans-63.6-42.8176.1-17964.6000111.8V87 I88 I89 F94 V95 M227V87-L91 WeakPolarHBondContact O-CB 3.5Å; V87-L91 PolarHBondContact O-N 3.43Å; I88-L91 PolarHBondContact O-N 3.04Å; I89-L91 VanDerWaalsContact C-N 3.28Å; I89-L91 PolarHBondContact O-N 3.35Å; L91-F94 PolarHBondContact O-N 3.28Å; L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.45Å; L91-M227 HydrophobicContact CB-SD 4.05Å; L91-M227 HydrophobicContact CD1-SD 4.38Å
92L97.5Very high95.4Very high109 Ų10955 Ų5557%0.57132%0.32SS*.Hα-helixtrans-63.5-40.9177-71.1174.5000112.1I88 I89 V95 T96I88-L92 HydrophobicContact CG2-CD1 4.26Å; I88-L92 WeakPolarHBondContact O-CG 3.23Å; I88-L92 PolarHBondContact O-N 3.31Å; I89-L92 PolarHBondContact O-N 2.89Å; I89-L92 VanDerWaalsContact O-N 3.17Å; L92-V95 PolarHBondContact O-N 3.29Å; L92-T96 WeakPolarHBondContact O-CB 3.44Å; L92-T96 PolarHBondContact O-N 3.02Å; L92-T96 PolarHBondContact O-OG1 3.28Å
93V96.3Very high95.5Very high31 Ų3158.2 Ų58.219%0.18833%0.334CS..Hα-helixtrans-66.2-43175.6-177.30000110.5I67 I89 L90 V95 T96 E97 F219I67-V93 HydrophobicContact CD1-CG2 4Å; I89-V93 HydrophobicContact CG2-CG2 4.49Å; I89-V93 WeakPolarHBondContact O-CG2 3.33Å; I89-V93 PolarHBondContact O-N 2.97Å; L90-V93 PolarHBondContact O-N 3.46Å; V93-V95 PolarHBondContact O-N 2.97Å; V93-T96 WeakPolarHBondContact O-CB 3.36Å; V93-T96 PolarHBondContact O-N 3.49Å; V93-T96 VanDerWaalsContact O-N 3.14Å; V93-E97 PolarHBondContact O-N 3.38Å; V93-F219 HydrophobicContact CG1-CE1 3.79Å; V93-F219 HydrophobicContact CG1-CZ 4.12Å
94F96.9Very high95.3Very high54 Ų5460.3 Ų60.324%0.23736%0.355CS..Hα-helixtrans-59.2-45175.6-179.5-101.7000112.1L90 L91 T96 E97 V98 A220 Q223 L224 M227L90-F94 WeakPolarHBondContact O-CB 3.4Å; L90-F94 PolarHBondContact O-N 3.48Å; L91-F94 PolarHBondContact O-N 3.28Å; F94-T96 VanDerWaalsContact C-N 3.3Å; F94-T96 PolarHBondContact O-N 2.87Å; F94-E97 WeakPolarHBondContact O-CB 3.23Å; F94-E97 PolarHBondContact O-N 3.38Å; F94-V98 HydrophobicContact CD1-CG2 4.45Å; F94-V98 HydrophobicContact CE1-CG2 4.07Å; F94-V98 HydrophobicContact CE2-CG2 4.5Å; F94-V98 HydrophobicContact CZ-CG2 4.09Å; F94-V98 WeakPolarHBondContact O-CG2 3.4Å; F94-V98 PolarHBondContact O-N 3Å; F94-A220 HydrophobicContact CD2-CB 4.34Å; F94-A220 HydrophobicContact CE2-CB 4.05Å; F94-Q223 VanDerWaalsContact CB-OE1 3.26Å; F94-L224 HydrophobicContact CD2-CG 4.49Å; F94-L224 HydrophobicContact CE2-CD1 4.14Å; F94-L224 HydrophobicContact CE2-CD2 4.22Å; F94-L224 HydrophobicContact CE2-CG 4.1Å; F94-L224 HydrophobicContact CZ-CD2 4.31Å; F94-M227 HydrophobicContact CB-CE 4.31Å; F94-M227 HydrophobicContact CG-CE 4.41Å
95V97.8Very high95Very high74 Ų7466.1 Ų66.145%0.44837%0.37SS..Hα-helixtrans-62-41.1175.5170.50000110.9L91 L92 V93 V98 V99L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.45Å; L92-V95 PolarHBondContact O-N 3.29Å; V93-V95 PolarHBondContact O-N 2.97Å; V95-V98 PolarHBondContact O-N 2.98Å; V95-V99 HydrophobicContact CG1-CG2 4.41Å; V95-V99 VanDerWaalsContact O-CG2 3.27Å; V95-V99 WeakPolarHBondContact O-CG2 3.45Å; V95-V99 PolarHBondContact O-N 3.49Å
96T95.9Very high95Very high85 Ų8567.8 Ų67.852%0.52138%0.379SS..Hα-helixtrans-63.5-42.1176.9-60.70000111.3L92 V93 F94 V99 V100L92-T96 WeakPolarHBondContact O-CB 3.44Å; L92-T96 PolarHBondContact O-N 3.02Å; L92-T96 PolarHBondContact O-OG1 3.28Å; V93-T96 WeakPolarHBondContact O-CB 3.36Å; V93-T96 PolarHBondContact O-N 3.49Å; V93-T96 VanDerWaalsContact O-N 3.14Å; F94-T96 VanDerWaalsContact C-N 3.3Å; F94-T96 PolarHBondContact O-N 2.87Å; T96-V99 PolarHBondContact O-N 3.12Å; T96-V100 HydrophobicContact CG2-CG2 4.36Å; T96-V100 VanDerWaalsContact O-CG2 3.29Å; T96-V100 WeakPolarHBondContact O-CG2 3.49Å; T96-V100 PolarHBondContact O-N 3.36Å
97E94.6Very high94.9Very high28 Ų2873.6 Ų73.613%0.13140%0.402CS..Hα-helixtrans-59.2-49.3175.5-171.5-174156.800111.4V93 F94 V99 V100 V101 F219 A220 Q223V93-E97 PolarHBondContact O-N 3.38Å; F94-E97 WeakPolarHBondContact O-CB 3.23Å; F94-E97 PolarHBondContact O-N 3.38Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.33Å; E97-V100 PolarHBondContact O-N 3.27Å; E97-V101 WeakPolarHBondContact O-CG2 3.39Å; E97-V101 PolarHBondContact O-N 3.33Å; E97-F219 WeakPolarHBondContact OE2-CD1 3.47Å; E97-A220 WeakPolarHBondContact OE1-CB 3.46Å; E97-A220 PolarHBondContact OE2-N 2.89Å; E97-Q223 PolarHBondContact OE2-OE1 3.1Å
98V95.4Very high94.5Very high68 Ų6878.7 Ų78.741%0.41242%0.419SS..Hα-helixtrans-59.7-43.5177.2173.60000111F94 V95 V101 V102F94-V98 HydrophobicContact CD1-CG2 4.45Å; F94-V98 HydrophobicContact CE1-CG2 4.07Å; F94-V98 HydrophobicContact CE2-CG2 4.5Å; F94-V98 HydrophobicContact CZ-CG2 4.09Å; F94-V98 WeakPolarHBondContact O-CG2 3.4Å; F94-V98 PolarHBondContact O-N 3Å; V95-V98 PolarHBondContact O-N 2.98Å; V98-V101 PolarHBondContact O-N 2.95Å; V98-V102 HydrophobicContact CG1-CG2 4.3Å; V98-V102 WeakPolarHBondContact O-CB 3.34Å; V98-V102 VanDerWaalsContact O-CG2 3.23Å; V98-V102 WeakPolarHBondContact O-CG2 3.47Å; V98-V102 PolarHBondContact O-N 3.44Å
99V96.3Very high94.1Very high71 Ų7176.4 Ų76.443%0.4341%0.414SS..Hα-helixtrans-61.4-47.6176.4169.60000110.8V95 T96 E97 V101 V102 L103V95-V99 HydrophobicContact CG1-CG2 4.41Å; V95-V99 VanDerWaalsContact O-CG2 3.27Å; V95-V99 WeakPolarHBondContact O-CG2 3.45Å; V95-V99 PolarHBondContact O-N 3.49Å; T96-V99 PolarHBondContact O-N 3.12Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.33Å; V99-V101 PolarHBondContact O-N 3Å; V99-V102 PolarHBondContact O-N 3.42Å; V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.07Å; V99-L103 WeakPolarHBondContact O-CB 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 2.85Å
100V93.3Very high93.8Very high93 Ų9381 Ų8156%0.56443%0.432SS*.Hα-helixtrans-60-44.9178.8169.40000111.2T96 E97 L103 G104T96-V100 HydrophobicContact CG2-CG2 4.36Å; T96-V100 VanDerWaalsContact O-CG2 3.29Å; T96-V100 WeakPolarHBondContact O-CG2 3.49Å; T96-V100 PolarHBondContact O-N 3.36Å; E97-V100 PolarHBondContact O-N 3.27Å; V100-L103 PolarHBondContact O-N 3.3Å; V100-G104 PolarHBondContact O-N 2.97Å
101V91.7Very high93.1Very high84 Ų8484.9 Ų84.951%0.50946%0.457SS..Hα-helixtrans-63.2-46.7178.1172.20000111.2E97 V98 V99 G104 Y105E97-V101 WeakPolarHBondContact O-CG2 3.39Å; E97-V101 PolarHBondContact O-N 3.33Å; V98-V101 PolarHBondContact O-N 2.95Å; V99-V101 PolarHBondContact O-N 3Å; V101-G104 PolarHBondContact O-N 3.17Å; V101-Y105 PolarHBondContact O-N 2.92Å
102V93.5Very high92.4Very high79 Ų7986.4 Ų86.448%0.47946%0.461SS..Hα-helixtrans-63.6-46.6178.91710000110.9V98 V99 G104 Y105 V106V98-V102 HydrophobicContact CG1-CG2 4.3Å; V98-V102 WeakPolarHBondContact O-CB 3.34Å; V98-V102 VanDerWaalsContact O-CG2 3.23Å; V98-V102 WeakPolarHBondContact O-CG2 3.47Å; V98-V102 PolarHBondContact O-N 3.44Å; V99-V102 PolarHBondContact O-N 3.42Å; V102-G104 VanDerWaalsContact C-N 3.34Å; V102-G104 PolarHBondContact O-N 3.22Å; V102-Y105 PolarHBondContact O-N 3.39Å; V102-V106 HydrophobicContact CG1-CG2 4.2Å; V102-V106 WeakPolarHBondContact O-CB 3.29Å; V102-V106 VanDerWaalsContact O-CG2 3.27Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 3.38Å
103L94Very high91.9Very high82 Ų8285.8 Ų85.843%0.42946%0.458SS..Hα-helixtrans-64.5-39.3178-67.8-174.9000111.8V99 V100 Y105 V106 Y107V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.07Å; V99-L103 WeakPolarHBondContact O-CB 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 2.85Å; V100-L103 PolarHBondContact O-N 3.3Å; L103-Y105 VanDerWaalsContact C-N 3.32Å; L103-Y105 PolarHBondContact O-N 2.89Å; L103-V106 PolarHBondContact O-N 2.86Å; L103-Y107 HydrophobicContact CB-CD2 4.33Å; L103-Y107 HydrophobicContact CD2-CD2 4.34Å; L103-Y107 HydrophobicContact CD2-CE2 3.92Å; L103-Y107 WeakPolarHBondContact O-CB 3.27Å; L103-Y107 WeakPolarHBondContact O-CD2 3.23Å; L103-Y107 PolarHBondContact O-N 3.14Å
104G89.6Confident91.3Very high44 Ų4489.5 Ų89.545%0.45447%0.474SS..Hα-helixtrans-59.7-42.617400000112.1V100 V101 V102 R108V100-G104 PolarHBondContact O-N 2.97Å; V101-G104 PolarHBondContact O-N 3.17Å; V102-G104 VanDerWaalsContact C-N 3.34Å; V102-G104 PolarHBondContact O-N 3.22Å; G104-R108 WeakPolarHBondContact O-CA 3.43Å; G104-R108 WeakPolarHBondContact O-CB 3.27Å; G104-R108 PolarHBondContact O-N 2.93Å; G104-R108 VanDerWaalsContact O-N 3.12Å
105Y89.2Confident90.6Very high162 Ų16289.5 Ų89.564%0.63548%0.478SS*.Hα-helixtrans-69-47.4176-176.1-96.6000112.7V101 V102 L103 Y107 R108V101-Y105 PolarHBondContact O-N 2.92Å; V102-Y105 PolarHBondContact O-N 3.39Å; L103-Y105 VanDerWaalsContact C-N 3.32Å; L103-Y105 PolarHBondContact O-N 2.89Å; Y105-Y107 VanDerWaalsContact C-N 3.35Å; Y105-Y107 PolarHBondContact O-N 2.98Å; Y105-R108 WeakPolarHBondContact O-CB 3.4Å; Y105-R108 WeakPolarHBondContact O-CG 3.33Å; Y105-R108 PolarHBondContact O-N 3.38Å
106V94.7Very high89.9Confident91 Ų9188.5 Ų88.555%0.55247%0.47SS*.Hα-helixtrans-62.8-41.5-178.5168.60000111.3V102 L103V102-V106 HydrophobicContact CG1-CG2 4.2Å; V102-V106 WeakPolarHBondContact O-CB 3.29Å; V102-V106 VanDerWaalsContact O-CG2 3.27Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 3.38Å; L103-V106 PolarHBondContact O-N 2.86Å
107Y92.7Very high89.4Confident124 Ų12492.1 Ų92.149%0.48647%0.474SS..THydrogen-bonded Turntrans-94.89.2-178.1-66.2-62.5000114.1L103 Y105 A109 K110 V111L103-Y107 HydrophobicContact CB-CD2 4.33Å; L103-Y107 HydrophobicContact CD2-CD2 4.34Å; L103-Y107 HydrophobicContact CD2-CE2 3.92Å; L103-Y107 WeakPolarHBondContact O-CB 3.27Å; L103-Y107 WeakPolarHBondContact O-CD2 3.23Å; L103-Y107 PolarHBondContact O-N 3.14Å; Y105-Y107 VanDerWaalsContact C-N 3.35Å; Y105-Y107 PolarHBondContact O-N 2.98Å; Y107-A109 VanDerWaalsContact C-N 3.34Å; Y107-A109 PolarHBondContact O-N 3.49Å; Y107-K110 HydrophobicContact CD1-CD 4.27Å; Y107-K110 WeakPolarHBondContact O-CA 3.32Å; Y107-K110 WeakPolarHBondContact O-CB 3.48Å; Y107-K110 PolarHBondContact O-N 2.87Å; Y107-V111 WeakPolarHBondContact O-CG2 3.23Å; Y107-V111 PolarHBondContact O-N 3.33Å
108R87.9Confident88.9Confident134 Ų13493.8 Ų93.851%0.50649%0.489SS..Hα-helixtrans-52.3-47.1-176.479.3-176-155.8-173.54.7113.4G104 Y105 K110 V111 E112G104-R108 WeakPolarHBondContact O-CA 3.43Å; G104-R108 WeakPolarHBondContact O-CB 3.27Å; G104-R108 PolarHBondContact O-N 2.93Å; G104-R108 VanDerWaalsContact O-N 3.12Å; Y105-R108 WeakPolarHBondContact O-CB 3.4Å; Y105-R108 WeakPolarHBondContact O-CG 3.33Å; Y105-R108 PolarHBondContact O-N 3.38Å; R108-K110 VanDerWaalsContact C-N 3.29Å; R108-K110 PolarHBondContact O-N 2.84Å; R108-V111 WeakPolarHBondContact O-CB 3.21Å; R108-V111 PolarHBondContact O-N 3.49Å; R108-V111 VanDerWaalsContact O-N 3.16Å; R108-E112 WeakPolarHBondContact O-CG 3.42Å; R108-E112 PolarHBondContact O-N 3.5Å
109A88.4Confident88.3Confident51 Ų5192.1 Ų92.142%0.42148%0.477SS..Hα-helixtrans-69.9-30-17800000111.8Y107 N113Y107-A109 VanDerWaalsContact C-N 3.34Å; Y107-A109 PolarHBondContact O-N 3.49Å; A109-N113 WeakPolarHBondContact O-CB 3.31Å; A109-N113 VanDerWaalsContact O-CG 3.25Å; A109-N113 PolarHBondContact O-N 3.26Å; A109-N113 VanDerWaalsContact O-N 3.09Å; A109-N113 PolarHBondContact O-ND2 2.93Å
110K90.1Very high87.9Confident143 Ų14391.6 Ų91.662%0.62247%0.47SS*.Hα-helixtrans-69.9-40.4173.7-173.9176.2179.2-179.70110.7Y107 R108 N113 E114Y107-K110 HydrophobicContact CD1-CD 4.27Å; Y107-K110 WeakPolarHBondContact O-CA 3.32Å; Y107-K110 WeakPolarHBondContact O-CB 3.48Å; Y107-K110 PolarHBondContact O-N 2.87Å; R108-K110 VanDerWaalsContact C-N 3.29Å; R108-K110 PolarHBondContact O-N 2.84Å; K110-N113 PolarHBondContact O-N 3.31Å; K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 PolarHBondContact O-N 3.37Å
111V82.1Confident87.6Confident86 Ų8694.3 Ų94.352%0.52148%0.475SS..Hα-helixtrans-64-45.8174.9174.90000110.5Y107 R108 N113 E114 V115Y107-V111 WeakPolarHBondContact O-CG2 3.23Å; Y107-V111 PolarHBondContact O-N 3.33Å; R108-V111 WeakPolarHBondContact O-CB 3.21Å; R108-V111 PolarHBondContact O-N 3.49Å; R108-V111 VanDerWaalsContact O-N 3.16Å; V111-N113 PolarHBondContact O-N 2.93Å; V111-E114 PolarHBondContact O-N 3Å; V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 VanDerWaalsContact O-CG2 3.29Å; V111-V115 WeakPolarHBondContact O-CG2 3.46Å; V111-V115 PolarHBondContact O-N 3.49Å
112E82Confident87.2Confident122 Ų12292.3 Ų92.357%0.5746%0.462SS*.Hα-helixtrans-56.1-48.5175.4-73.5170.7178.200111.9R108 E114 V115 D116R108-E112 WeakPolarHBondContact O-CG 3.42Å; R108-E112 PolarHBondContact O-N 3.5Å; E112-E114 VanDerWaalsContact C-N 3.32Å; E112-E114 PolarHBondContact O-N 3.33Å; E112-V115 PolarHBondContact O-N 2.91Å; E112-D116 PolarHBondContact O-N 3.4Å
113N87.3Confident86.9Confident95 Ų9589.2 Ų89.251%0.50844%0.442SS..Hα-helixtrans-63.8-35.3177.3-73-35.2000113.3A109 K110 V111 R117A109-N113 WeakPolarHBondContact O-CB 3.31Å; A109-N113 VanDerWaalsContact O-CG 3.25Å; A109-N113 PolarHBondContact O-N 3.26Å; A109-N113 VanDerWaalsContact O-N 3.09Å; A109-N113 PolarHBondContact O-ND2 2.93Å; K110-N113 PolarHBondContact O-N 3.31Å; V111-N113 PolarHBondContact O-N 2.93Å; N113-R117 VanDerWaalsContact O-CG 3.26Å; N113-R117 WeakPolarHBondContact O-CG 3.42Å; N113-R117 PolarHBondContact O-N 3.49Å; N113-R117 VanDerWaalsContact O-N 3.13Å
114E84.9Confident86.6Confident109 Ų10992.3 Ų92.351%0.50945%0.452SS..Hα-helixtrans-73.2-35.3178.2-162.763.2-159.300111.3K110 V111 E112 S118K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 PolarHBondContact O-N 3.37Å; V111-E114 PolarHBondContact O-N 3Å; E112-E114 VanDerWaalsContact C-N 3.32Å; E112-E114 PolarHBondContact O-N 3.33Å; E114-S118 WeakPolarHBondContact O-CB 3.4Å; E114-S118 PolarHBondContact O-N 3.25Å
115V80.6Confident86.3Confident54 Ų5493.6 Ų93.633%0.32745%0.452SS..Hα-helixtrans-64-48.1173.3170.40000110.6V111 E112 R117 S118 I119V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 VanDerWaalsContact O-CG2 3.29Å; V111-V115 WeakPolarHBondContact O-CG2 3.46Å; V111-V115 PolarHBondContact O-N 3.49Å; E112-V115 PolarHBondContact O-N 2.91Å; V115-R117 PolarHBondContact O-N 3.04Å; V115-S118 WeakPolarHBondContact O-CB 3.47Å; V115-S118 PolarHBondContact O-N 3.1Å; V115-S118 VanDerWaalsContact O-N 3.16Å; V115-I119 HydrophobicContact CG1-CD1 3.85Å; V115-I119 HydrophobicContact CG1-CG1 4.39Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 3.19Å
116D83.1Confident86.3Confident53 Ų5386.8 Ų86.828%0.28343%0.425SS..Hα-helixtrans-56.7-50.4176171.560.1000111.5E112 S118 I119 Q120E112-D116 PolarHBondContact O-N 3.4Å; D116-S118 VanDerWaalsContact C-N 3.28Å; D116-S118 PolarHBondContact O-N 3.33Å; D116-I119 PolarHBondContact O-N 3.34Å; D116-Q120 VanDerWaalsContact O-CG 3.27Å; D116-Q120 WeakPolarHBondContact O-CG 3.35Å; D116-Q120 PolarHBondContact O-N 3.02Å
117R87.2Confident85.9Confident161 Ų16185.8 Ų85.861%0.60842%0.416SS*.Hα-helixtrans-59.6-39.2176.1-72.2173.4-175.5-178.40.6112.8N113 V115 K121N113-R117 VanDerWaalsContact O-CG 3.26Å; N113-R117 WeakPolarHBondContact O-CG 3.42Å; N113-R117 PolarHBondContact O-N 3.49Å; N113-R117 VanDerWaalsContact O-N 3.13Å; V115-R117 PolarHBondContact O-N 3.04Å; R117-K121 VanDerWaalsContact O-CB 3.28Å; R117-K121 WeakPolarHBondContact O-CB 3.24Å; R117-K121 PolarHBondContact O-N 3.47Å
118S83.3Confident85.2Confident63 Ų6381.5 Ų81.544%0.44141%0.41SS..Hα-helixtrans-64.4-47.7177.5-171.70000110.6E114 V115 D116 Q120 K121 V122E114-S118 WeakPolarHBondContact O-CB 3.4Å; E114-S118 PolarHBondContact O-N 3.25Å; V115-S118 WeakPolarHBondContact O-CB 3.47Å; V115-S118 PolarHBondContact O-N 3.1Å; V115-S118 VanDerWaalsContact O-N 3.16Å; D116-S118 VanDerWaalsContact C-N 3.28Å; D116-S118 PolarHBondContact O-N 3.33Å; S118-Q120 PolarHBondContact O-N 3.46Å; S118-K121 PolarHBondContact O-N 3.37Å; S118-K121 VanDerWaalsContact O-N 3.17Å; S118-V122 WeakPolarHBondContact O-CB 3.37Å; S118-V122 VanDerWaalsContact O-CG2 3.22Å; S118-V122 WeakPolarHBondContact O-CG2 3.38Å; S118-V122 PolarHBondContact O-N 3.1Å
119I83.4Confident84.4Confident33 Ų3378.5 Ų78.517%0.16941%0.406CS..Hα-helixtrans-56.1-53.1175.2-69169.3000109.9V115 D116 K121 V122 Y123 I150V115-I119 HydrophobicContact CG1-CD1 3.85Å; V115-I119 HydrophobicContact CG1-CG1 4.39Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 3.19Å; D116-I119 PolarHBondContact O-N 3.34Å; I119-K121 VanDerWaalsContact C-N 3.26Å; I119-K121 PolarHBondContact O-N 2.97Å; I119-V122 PolarHBondContact O-N 3.25Å; I119-Y123 HydrophobicContact CG2-CD2 3.82Å; I119-Y123 HydrophobicContact CG2-CE2 3.89Å; I119-Y123 WeakPolarHBondContact O-CD2 3.3Å; I119-Y123 PolarHBondContact O-N 2.93Å; I119-I150 HydrophobicContact CG2-CD1 4.39Å; I119-I150 HydrophobicContact CG2-CG1 4.24Å; I119-I150 HydrophobicContact CG2-CG2 4.17Å
120Q87.3Confident83.1Confident61 Ų6181.4 Ų81.429%0.28542%0.415SS..Hα-helixtrans-56.4-40178.7-67.8-71.5-23.900112.6D116 S118 K124 I150D116-Q120 VanDerWaalsContact O-CG 3.27Å; D116-Q120 WeakPolarHBondContact O-CG 3.35Å; D116-Q120 PolarHBondContact O-N 3.02Å; S118-Q120 PolarHBondContact O-N 3.46Å; Q120-K124 WeakPolarHBondContact O-CG 3.47Å; Q120-K124 PolarHBondContact O-N 2.93Å; Q120-I150 HydrophobicContact CG-CD1 4.32Å
121K86.5Confident81.7Confident150 Ų15078.4 Ų78.465%0.65241%0.41SS*.Hα-helixtrans-68.7-44.9178.8-173.8-179178.4-173.20111.7R117 S118 I119 Y123 K124 T125R117-K121 VanDerWaalsContact O-CB 3.28Å; R117-K121 WeakPolarHBondContact O-CB 3.24Å; R117-K121 PolarHBondContact O-N 3.47Å; S118-K121 PolarHBondContact O-N 3.37Å; S118-K121 VanDerWaalsContact O-N 3.17Å; I119-K121 VanDerWaalsContact C-N 3.26Å; I119-K121 PolarHBondContact O-N 2.97Å; K121-Y123 VanDerWaalsContact C-N 3.32Å; K121-Y123 PolarHBondContact O-N 3.47Å; K121-K124 PolarHBondContact O-N 3.49Å; K121-T125 PolarHBondContact O-N 3.31Å; K121-T125 PolarHBondContact O-OG1 3.43Å
122V84.3Confident81.3Confident42 Ų4276 Ų7626%0.25539%0.394SS..Hα-helixtrans-64.5-37.7180175.60000110.6S118 I119 K124 T125 Y126 A134 I138S118-V122 WeakPolarHBondContact O-CB 3.37Å; S118-V122 VanDerWaalsContact O-CG2 3.22Å; S118-V122 WeakPolarHBondContact O-CG2 3.38Å; S118-V122 PolarHBondContact O-N 3.1Å; I119-V122 PolarHBondContact O-N 3.25Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.45Å; V122-T125 PolarHBondContact O-N 3Å; V122-T125 PolarHBondContact O-OG1 2.8Å; V122-Y126 PolarHBondContact O-N 2.83Å; V122-A134 HydrophobicContact CG1-CB 3.75Å; V122-I138 HydrophobicContact CG1-CD1 3.8Å; V122-I138 HydrophobicContact CG1-CG1 3.89Å; V122-I138 WeakPolarHBondContact O-CD1 3.31Å
123Y87.1Confident81Confident14 Ų1471.2 Ų71.26%0.05538%0.376CS..Hα-helixtrans-64.6-34.1173.7-92.2-92.3000113.4I119 K121 T125 Y126 I138 Q142 G149 I150 W156I119-Y123 HydrophobicContact CG2-CD2 3.82Å; I119-Y123 HydrophobicContact CG2-CE2 3.89Å; I119-Y123 WeakPolarHBondContact O-CD2 3.3Å; I119-Y123 PolarHBondContact O-N 2.93Å; K121-Y123 VanDerWaalsContact C-N 3.32Å; K121-Y123 PolarHBondContact O-N 3.47Å; Y123-T125 VanDerWaalsContact C-N 3.31Å; Y123-T125 PolarHBondContact O-N 3.12Å; Y123-Y126 WeakPolarHBondContact O-CB 3.33Å; Y123-Y126 PolarHBondContact O-N 3.24Å; Y123-I138 HydrophobicContact CD1-CD1 4.21Å; Y123-I138 HydrophobicContact CD2-CD1 4.07Å; Y123-I138 HydrophobicContact CD2-CG1 4.25Å; Y123-I138 HydrophobicContact CE1-CG2 3.97Å; Y123-I138 HydrophobicContact CE2-CD1 4.4Å; Y123-I138 HydrophobicContact CE2-CG1 4.14Å; Y123-I138 HydrophobicContact CE2-CG2 4.49Å; Y123-I138 HydrophobicContact CG-CD1 3.98Å; Y123-Q142 PolarHBondContact OH-OE1 2.98Å; Y123-G149 PolarHBondContact OH-O 2.98Å; Y123-I150 HydrophobicContact CD1-CG1 4.12Å; Y123-I150 HydrophobicContact CD2-CD1 4Å; Y123-I150 HydrophobicContact CD2-CG1 3.71Å; Y123-I150 HydrophobicContact CE1-CG1 4.23Å; Y123-I150 HydrophobicContact CE2-CG1 3.83Å; Y123-I150 HydrophobicContact CG-CD1 3.94Å; Y123-I150 HydrophobicContact CG-CG1 3.85Å; Y123-W156 AromaticContact CD1-CH2 3.98Å; Y123-W156 HydrophobicContact CD1-CH2 3.98Å; Y123-W156 AromaticContact CD1-CZ2 3.98Å; Y123-W156 HydrophobicContact CD1-CZ2 3.98Å; Y123-W156 HydrophobicContact CD1-CZ3 4.45Å; Y123-W156 AromaticContact CE1-CE2 3.94Å; Y123-W156 AromaticContact CE1-CH2 3.92Å; Y123-W156 HydrophobicContact CE1-CH2 3.92Å; Y123-W156 AromaticContact CE1-CZ2 3.48Å; Y123-W156 HydrophobicContact CE1-CZ2 3.48Å; Y123-W156 VanDerWaalsContact CE1-CZ2 3.48Å
124K86.2Confident80.6Confident146 Ų14667.3 Ų67.364%0.63536%0.357SS*.Hα-helixtrans-71.2-25.1175.8-72.8175.9-176.8-179.70113.5Q120 K121 V122Q120-K124 WeakPolarHBondContact O-CG 3.47Å; Q120-K124 PolarHBondContact O-N 2.93Å; K121-K124 PolarHBondContact O-N 3.49Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.45Å
125T85.2Confident80.7Confident72 Ų7262.2 Ų62.244%0.44233%0.333SS..Hα-helixtrans-90.5-4.617952.60000113.5K121 V122 Y123 N127K121-T125 PolarHBondContact O-N 3.31Å; K121-T125 PolarHBondContact O-OG1 3.43Å; V122-T125 PolarHBondContact O-N 3Å; V122-T125 PolarHBondContact O-OG1 2.8Å; Y123-T125 VanDerWaalsContact C-N 3.31Å; Y123-T125 PolarHBondContact O-N 3.12Å; T125-N127 PolarHBondContact O-N 2.9Å
126Y87.8Confident80.8Confident18 Ų1862.9 Ų62.97%0.07133%0.33CS..  trans-57.4129.9177.3-173-86.6000110.7V122 Y123 G128 I138 D139 W156 W161 P171V122-Y126 PolarHBondContact O-N 2.83Å; Y123-Y126 WeakPolarHBondContact O-CB 3.33Å; Y123-Y126 PolarHBondContact O-N 3.24Å; Y126-G128 VanDerWaalsContact CE1-CA 3.48Å; Y126-G128 VanDerWaalsContact CE1-N 3.31Å; Y126-I138 HydrophobicContact CD2-CB 4.14Å; Y126-I138 HydrophobicContact CD2-CD1 3.77Å; Y126-I138 HydrophobicContact CD2-CG2 4.22Å; Y126-I138 HydrophobicContact CE2-CB 4.37Å; Y126-I138 HydrophobicContact CE2-CG2 4.29Å; Y126-I138 HydrophobicContact CG-CD1 4.38Å; Y126-D139 PolarHBondContact OH-OD1 3.32Å; Y126-W156 AromaticContact CD1-CH2 3.85Å; Y126-W156 HydrophobicContact CD1-CH2 3.85Å; Y126-W156 AromaticContact CD1-CZ3 3.51Å; Y126-W156 HydrophobicContact CD1-CZ3 3.51Å; Y126-W156 AromaticContact CD2-CH2 3.68Å; Y126-W156 HydrophobicContact CD2-CH2 3.68Å; Y126-W156 HydrophobicContact CD2-CZ3 4.18Å; Y126-W156 HydrophobicContact CE1-CH2 4.08Å; Y126-W156 AromaticContact CE1-CZ3 3.95Å; Y126-W156 HydrophobicContact CE1-CZ3 3.95Å; Y126-W156 AromaticContact CE2-CH2 3.94Å; Y126-W156 HydrophobicContact CE2-CH2 3.94Å; Y126-W156 AromaticContact CG-CH2 3.65Å; Y126-W156 HydrophobicContact CG-CH2 3.65Å; Y126-W156 AromaticContact CG-CZ3 3.65Å; Y126-W156 HydrophobicContact CG-CZ3 3.65Å; Y126-W161 HydrophobicContact CD1-CB 4.04Å; Y126-W161 AromaticContact CD1-CD2 3.84Å; Y126-W161 HydrophobicContact CD1-CD2 3.84Å; Y126-W161 HydrophobicContact CD1-CE3 4.28Å; Y126-W161 AromaticContact CD1-CG 3.7Å; Y126-W161 HydrophobicContact CD1-CG 3.7Å; Y126-W161 AromaticContact CE1-CD2 3.71Å; Y126-W161 HydrophobicContact CE1-CD2 3.71Å; Y126-W161 AromaticContact CE1-CE2 3.78Å; Y126-W161 HydrophobicContact CE1-CE3 4.14Å; Y126-W161 AromaticContact CE1-CG 3.98Å; Y126-W161 HydrophobicContact CE1-CG 3.98Å; Y126-W161 HydrophobicContact CE1-CZ2 4.28Å; Y126-W161 WeakPolarHBondContact O-CB 3.21Å; Y126-P171 HydrophobicContact CE1-CG 3.77Å; Y126-P171 HydrophobicContact CE2-CG 4.26Å; Y126-P171 WeakPolarHBondContact OH-CB 3.37Å; Y126-P171 WeakPolarHBondContact OH-CG 3.42Å
127N86.4Confident80.8Confident71 Ų7162.7 Ų62.738%0.3834%0.336SS..  trans-128.5-0.3178.267.318.6000113.1T125 T129 S135 W161T125-N127 PolarHBondContact O-N 2.9Å; N127-T129 PolarHBondContact ND2-OG1 2.95Å; N127-T129 PolarHBondContact O-N 3.36Å; N127-T129 VanDerWaalsContact O-N 3.15Å; N127-T129 PolarHBondContact OD1-N 3.46Å; N127-T129 PolarHBondContact OD1-OG1 2.91Å; N127-S135 PolarHBondContact N-OG 3.11Å; N127-S135 PolarHBondContact OD1-OG 2.97Å; N127-W161 VanDerWaalsContact O-CD1 3.23Å; N127-W161 PolarHBondContact O-NE1 2.99Å
128G78.2Confident80.9Confident34 Ų3455.3 Ų55.335%0.35131%0.308SS..SBendtrans68.84.9179.700000115Y126 S135Y126-G128 VanDerWaalsContact CE1-CA 3.48Å; Y126-G128 VanDerWaalsContact CE1-N 3.31Å; G128-S135 PolarHBondContact N-OG 3.2Å
129T70.8Confident81.3Confident70 Ų7053.1 Ų53.143%0.42929%0.292SS..  trans-97.4141.7177.966.70000111.3N127 P131 D132N127-T129 PolarHBondContact ND2-OG1 2.95Å; N127-T129 PolarHBondContact O-N 3.36Å; N127-T129 VanDerWaalsContact O-N 3.15Å; N127-T129 PolarHBondContact OD1-N 3.46Å; N127-T129 PolarHBondContact OD1-OG1 2.91Å; T129-P131 VanDerWaalsContact C-CD 3.41Å; T129-D132 PolarHBondContact O-N 3.31Å
130N61.3Low81.6Confident112 Ų11258.3 Ų58.360%0.59931%0.31SS*.THydrogen-bonded Turntrans-82.62.9-168.2-86.5-28.9000118.9R136N130-R136 PolarHBondContact O-NH2 3.44Å
131P61.1Low81.8Confident80 Ų8057.6 Ų57.652%0.51931%0.31SS..THydrogen-bonded Turntrans-90.5-9.2160.633.1-28.4000113.3F44 T129 A133F44-P131 HydrophobicContact CD1-CB 4.4Å; F44-P131 VanDerWaalsContact O-O 3.09Å; T129-P131 VanDerWaalsContact C-CD 3.41Å; P131-A133 PolarHBondContact O-N 3.4Å
132D73.3Confident82.2Confident35 Ų3550.4 Ų50.419%0.18728%0.278CS..  trans-77120.1179.1173.331.8000111.7T129 A134 S135 R136T129-D132 PolarHBondContact O-N 3.31Å; D132-A134 VanDerWaalsContact C-N 3.28Å; D132-A134 PolarHBondContact O-N 2.91Å; D132-A134 WeakPolarHBondContact OD1-CB 3.13Å; D132-A134 PolarHBondContact OD1-N 2.83Å; D132-S135 PolarHBondContact O-N 3.4Å; D132-S135 WeakPolarHBondContact OD2-CB 3.25Å; D132-S135 PolarHBondContact OD2-N 3.33Å; D132-S135 PolarHBondContact OD2-OG 3.44Å; D132-R136 PolarHBondContact O-N 2.98Å; D132-R136 VanDerWaalsContact O-N 3.09Å
133A75.5Confident82.7Confident22 Ų2254 Ų5418%0.18229%0.287CS..Hα-helixtrans-61.4-36.217800000111.9D47 P131 A137D47-A133 WeakPolarHBondContact OD2-CB 3.37Å; P131-A133 PolarHBondContact O-N 3.4Å; A133-A137 WeakPolarHBondContact O-CB 3.34Å; A133-A137 PolarHBondContact O-N 3.45Å
134A79.9Confident83Confident14 Ų1458.6 Ų58.612%0.11631%0.31CS..Hα-helixtrans-65.5-49.2177.800000111.3V122 D132 R136 A137 I138V122-A134 HydrophobicContact CG1-CB 3.75Å; D132-A134 VanDerWaalsContact C-N 3.28Å; D132-A134 PolarHBondContact O-N 2.91Å; D132-A134 WeakPolarHBondContact OD1-CB 3.13Å; D132-A134 PolarHBondContact OD1-N 2.83Å; A134-R136 VanDerWaalsContact C-N 3.32Å; A134-R136 PolarHBondContact O-N 3.32Å; A134-A137 PolarHBondContact O-N 3.3Å; A134-I138 PolarHBondContact O-N 3.43Å
135S86.5Confident83.4Confident2 Ų253.4 Ų53.41%0.01429%0.288CS..Hα-helixtrans-57.7-43.7177.1-64.20000112.1N127 G128 D132 D139N127-S135 PolarHBondContact N-OG 3.11Å; N127-S135 PolarHBondContact OD1-OG 2.97Å; G128-S135 PolarHBondContact N-OG 3.2Å; D132-S135 PolarHBondContact O-N 3.4Å; D132-S135 WeakPolarHBondContact OD2-CB 3.25Å; D132-S135 PolarHBondContact OD2-N 3.33Å; D132-S135 PolarHBondContact OD2-OG 3.44Å; S135-D139 VanDerWaalsContact O-CB 3.32Å; S135-D139 WeakPolarHBondContact O-CB 3.36Å; S135-D139 PolarHBondContact O-N 2.9Å
136R81.8Confident84Confident68 Ų6854 Ų5426%0.25729%0.286SS..Hα-helixtrans-66.5-41.2176.8-169.3-179.7-54-169.69.7113.2N130 D132 A134 D139 Y140N130-R136 PolarHBondContact O-NH2 3.44Å; D132-R136 PolarHBondContact O-N 2.98Å; D132-R136 VanDerWaalsContact O-N 3.09Å; A134-R136 VanDerWaalsContact C-N 3.32Å; A134-R136 PolarHBondContact O-N 3.32Å; R136-D139 PolarHBondContact O-N 2.95Å; R136-Y140 VanDerWaalsContact O-CB 3.23Å; R136-Y140 WeakPolarHBondContact O-CB 3.28Å; R136-Y140 PolarHBondContact O-N 3.41Å
137A84.2Confident84.4Confident49 Ų4953.2 Ų53.241%0.40528%0.283SS..Hα-helixtrans-62-45.4178.300000111A133 A134 Y140 V141A133-A137 WeakPolarHBondContact O-CB 3.34Å; A133-A137 PolarHBondContact O-N 3.45Å; A134-A137 PolarHBondContact O-N 3.3Å; A137-Y140 PolarHBondContact O-N 2.88Å; A137-V141 WeakPolarHBondContact O-CB 3.35Å; A137-V141 VanDerWaalsContact O-CG2 3.26Å; A137-V141 WeakPolarHBondContact O-CG2 3.47Å; A137-V141 PolarHBondContact O-N 3.49Å
138I89.5Confident84.9Confident6 Ų649.8 Ų49.83%0.03127%0.265CS..Hα-helixtrans-60.8-50.2175-69.6165.3000110.4V122 Y123 Y126 A134 Y140 V141 Q142 W156V122-I138 HydrophobicContact CG1-CD1 3.8Å; V122-I138 HydrophobicContact CG1-CG1 3.89Å; V122-I138 WeakPolarHBondContact O-CD1 3.31Å; Y123-I138 HydrophobicContact CD1-CD1 4.21Å; Y123-I138 HydrophobicContact CD2-CD1 4.07Å; Y123-I138 HydrophobicContact CD2-CG1 4.25Å; Y123-I138 HydrophobicContact CE1-CG2 3.97Å; Y123-I138 HydrophobicContact CE2-CD1 4.4Å; Y123-I138 HydrophobicContact CE2-CG1 4.14Å; Y123-I138 HydrophobicContact CE2-CG2 4.49Å; Y123-I138 HydrophobicContact CG-CD1 3.98Å; Y126-I138 HydrophobicContact CD2-CB 4.14Å; Y126-I138 HydrophobicContact CD2-CD1 3.77Å; Y126-I138 HydrophobicContact CD2-CG2 4.22Å; Y126-I138 HydrophobicContact CE2-CB 4.37Å; Y126-I138 HydrophobicContact CE2-CG2 4.29Å; Y126-I138 HydrophobicContact CG-CD1 4.38Å; A134-I138 PolarHBondContact O-N 3.43Å; I138-Y140 VanDerWaalsContact C-N 3.27Å; I138-Y140 PolarHBondContact O-N 3.29Å; I138-V141 PolarHBondContact O-N 3.45Å; I138-Q142 HydrophobicContact CG2-CG 4.22Å; I138-Q142 WeakPolarHBondContact O-CB 3.26Å; I138-Q142 WeakPolarHBondContact O-CG 3.38Å; I138-Q142 PolarHBondContact O-N 3.22Å; I138-W156 HydrophobicContact CG2-CH2 3.92Å; I138-W156 HydrophobicContact CG2-CZ2 3.82Å
139D91.7Very high85.7Confident17 Ų1748.2 Ų48.29%0.09125%0.248CC..Hα-helixtrans-59.7-37.6-179.9-10733.1000113.1Y126 S135 R136 R143 S173Y126-D139 PolarHBondContact OH-OD1 3.32Å; S135-D139 VanDerWaalsContact O-CB 3.32Å; S135-D139 WeakPolarHBondContact O-CB 3.36Å; S135-D139 PolarHBondContact O-N 2.9Å; R136-D139 PolarHBondContact O-N 2.95Å; D139-R143 VanDerWaalsContact O-CG 3.31Å; D139-R143 WeakPolarHBondContact O-CG 3.46Å; D139-R143 PolarHBondContact O-N 3.44Å; D139-R143 PolarHBondContact O-NH1 3.38Å; D139-R143 IonicContact OD2-CZ 2.89Å; D139-R143 IonicContact OD2-NH1 3.11Å; D139-R143 PolarHBondContact OD2-NH1 3.16Å; D139-R143 IonicContact OD2-NH2 2.79Å; D139-R143 PolarHBondContact OD2-NH2 3.03Å; D139-S173 VanDerWaalsContact CG-OG 3.26Å; D139-S173 WeakPolarHBondContact O-CB 3.28Å; D139-S173 WeakPolarHBondContact OD1-CB 3.4Å; D139-S173 PolarHBondContact OD1-OG 2.95Å
140Y89.2Confident86.8Confident141 Ų14145.2 Ų45.255%0.55323%0.23SC*.Hα-helixtrans-68.6-49.3175.9179.2-97.4000111R136 A137 I138 Q142 R143 Q144R136-Y140 VanDerWaalsContact O-CB 3.23Å; R136-Y140 WeakPolarHBondContact O-CB 3.28Å; R136-Y140 PolarHBondContact O-N 3.41Å; A137-Y140 PolarHBondContact O-N 2.88Å; I138-Y140 VanDerWaalsContact C-N 3.27Å; I138-Y140 PolarHBondContact O-N 3.29Å; Y140-Q142 PolarHBondContact O-N 2.79Å; Y140-R143 PolarHBondContact O-N 2.86Å; Y140-Q144 HydrophobicContact CD1-CG 3.98Å; Y140-Q144 HydrophobicContact CD2-CG 3.97Å; Y140-Q144 HydrophobicContact CE1-CB 4.5Å; Y140-Q144 HydrophobicContact CE1-CG 3.67Å; Y140-Q144 HydrophobicContact CE2-CG 3.66Å; Y140-Q144 HydrophobicContact CG-CG 4.13Å; Y140-Q144 WeakPolarHBondContact O-CB 3.48Å; Y140-Q144 WeakPolarHBondContact O-CG 3.49Å; Y140-Q144 PolarHBondContact O-N 3Å
141V91.7Very high88.3Confident46 Ų4645 Ų4528%0.27922%0.224SC..Hα-helixtrans-60.5-45179.5170.20000111.1A137 I138 R143 Q144 L145 C197 V201A137-V141 WeakPolarHBondContact O-CB 3.35Å; A137-V141 VanDerWaalsContact O-CG2 3.26Å; A137-V141 WeakPolarHBondContact O-CG2 3.47Å; A137-V141 PolarHBondContact O-N 3.49Å; I138-V141 PolarHBondContact O-N 3.45Å; V141-R143 PolarHBondContact O-N 2.9Å; V141-Q144 PolarHBondContact O-N 3.09Å; V141-L145 HydrophobicContact CG1-CD1 3.97Å; V141-L145 HydrophobicContact CG1-CG 4.43Å; V141-L145 WeakPolarHBondContact O-CB 3.48Å; V141-L145 PolarHBondContact O-N 2.94Å; V141-C197 HydrophobicContact CG1-CB 4.22Å; V141-V201 HydrophobicContact CG1-CG2 4.13Å
142Q95.3Very high89.9Confident0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-60.5-43.2178.7-72-168.8147.700112.1Y123 I138 Y140 H146 C147 S173 C174Y123-Q142 PolarHBondContact OH-OE1 2.98Å; I138-Q142 HydrophobicContact CG2-CG 4.22Å; I138-Q142 WeakPolarHBondContact O-CB 3.26Å; I138-Q142 WeakPolarHBondContact O-CG 3.38Å; I138-Q142 PolarHBondContact O-N 3.22Å; Y140-Q142 PolarHBondContact O-N 2.79Å; Q142-H146 WeakPolarHBondContact O-CA 3.39Å; Q142-H146 PolarHBondContact O-N 2.84Å; Q142-C147 WeakPolarHBondContact CA-O 3.31Å; Q142-C147 VanDerWaalsContact CB-O 3.28Å; Q142-C147 WeakPolarHBondContact CB-O 3.23Å; Q142-C147 WeakPolarHBondContact CG-O 3.38Å; Q142-C147 PolarHBondContact O-N 3.48Å; Q142-C147 VanDerWaalsContact O-N 3.16Å; Q142-S173 PolarHBondContact NE2-OG 3.3Å; Q142-C174 PolarHBondContact NE2-SG 2.93Å; Q142-C174 PolarHBondContact OE1-SG 2.57Å
143R94.3Very high90.9Very high116 Ų11645.4 Ų45.444%0.43822%0.218SC..Hα-helixtrans-68-46.4175.9-70.7-179.6-169105.66.3112.4D139 Y140 V141 H146D139-R143 VanDerWaalsContact O-CG 3.31Å; D139-R143 WeakPolarHBondContact O-CG 3.46Å; D139-R143 PolarHBondContact O-N 3.44Å; D139-R143 PolarHBondContact O-NH1 3.38Å; D139-R143 IonicContact OD2-CZ 2.89Å; D139-R143 IonicContact OD2-NH1 3.11Å; D139-R143 PolarHBondContact OD2-NH1 3.16Å; D139-R143 IonicContact OD2-NH2 2.79Å; D139-R143 PolarHBondContact OD2-NH2 3.03Å; Y140-R143 PolarHBondContact O-N 2.86Å; V141-R143 PolarHBondContact O-N 2.9Å; R143-H146 PolarHBondContact O-ND1 2.93Å
144Q94.2Very high91.8Very high112 Ų11246.4 Ų46.452%0.52322%0.223SC..Hα-helixtrans-73.2-33.9-173.8-70.4-63.1-34.300113.6Y140 V141Y140-Q144 HydrophobicContact CD1-CG 3.98Å; Y140-Q144 HydrophobicContact CD2-CG 3.97Å; Y140-Q144 HydrophobicContact CE1-CB 4.5Å; Y140-Q144 HydrophobicContact CE1-CG 3.67Å; Y140-Q144 HydrophobicContact CE2-CG 3.66Å; Y140-Q144 HydrophobicContact CG-CG 4.13Å; Y140-Q144 WeakPolarHBondContact O-CB 3.48Å; Y140-Q144 WeakPolarHBondContact O-CG 3.49Å; Y140-Q144 PolarHBondContact O-N 3Å; V141-Q144 PolarHBondContact O-N 3.09Å
145L94.4Very high92.5Very high36 Ų3647.2 Ų47.219%0.18823%0.226CC..Hα-helixtrans-99.70.2179.5-61.5-172.8000113V141 C147 L200 V201 K204V141-L145 HydrophobicContact CG1-CD1 3.97Å; V141-L145 HydrophobicContact CG1-CG 4.43Å; V141-L145 WeakPolarHBondContact O-CB 3.48Å; V141-L145 PolarHBondContact O-N 2.94Å; L145-C147 VanDerWaalsContact C-N 3.28Å; L145-C147 HydrophobicContact CB-CB 4.49Å; L145-C147 PolarHBondContact O-N 3.29Å; L145-L200 HydrophobicContact CD1-CB 4.46Å; L145-L200 WeakPolarHBondContact O-CD2 3.23Å; L145-V201 HydrophobicContact CD1-CB 4.38Å; L145-V201 HydrophobicContact CD1-CG2 3.45Å; L145-V201 VanDerWaalsContact CD1-CG2 3.45Å; L145-K204 HydrophobicContact CD2-CD 4.42Å; L145-K204 HydrophobicContact CD2-CG 3.82Å
146H96.7Very high92.8Very high86 Ų8647.1 Ų47.140%0.39823%0.225SC..THydrogen-bonded Turntrans52.549-178.6-59.6-57.5000111.9Q142 R143 E177 Y193Q142-H146 WeakPolarHBondContact O-CA 3.39Å; Q142-H146 PolarHBondContact O-N 2.84Å; R143-H146 PolarHBondContact O-ND1 2.93Å; H146-E177 IonicContact CE1-OE1 3.48Å; H146-E177 PolarHBondContact CE1-OE1 3.04Å; H146-Y193 VanDerWaalsContact C-CD1 3.44Å; H146-Y193 HydrophobicContact CB-CD1 3.72Å; H146-Y193 HydrophobicContact CB-CE1 3.36Å; H146-Y193 HydrophobicContact CB-CE2 4.42Å; H146-Y193 HydrophobicContact CB-CG 4.39Å; H146-Y193 AromaticContact CG-CE1 3.83Å; H146-Y193 AromaticContact CG-CZ 3.96Å; H146-Y193 AromaticContact ND1-CE1 3.67Å; H146-Y193 AromaticContact ND1-CZ 3.4Å; H146-Y193 PolarHBondContact ND1-OH 2.67Å; H146-Y193 WeakPolarHBondContact O-CB 3.49Å; H146-Y193 WeakPolarHBondContact O-CD1 3.43Å
147C96.6Very high93.4Very high0 Ų048.5 Ų48.50%024%0.235CC..  trans-128.4162-176.5630000111Q142 L145 E195 C197 L200Q142-C147 WeakPolarHBondContact CA-O 3.31Å; Q142-C147 VanDerWaalsContact CB-O 3.28Å; Q142-C147 WeakPolarHBondContact CB-O 3.23Å; Q142-C147 WeakPolarHBondContact CG-O 3.38Å; Q142-C147 PolarHBondContact O-N 3.48Å; Q142-C147 VanDerWaalsContact O-N 3.16Å; L145-C147 VanDerWaalsContact C-N 3.28Å; L145-C147 HydrophobicContact CB-CB 4.49Å; L145-C147 PolarHBondContact O-N 3.29Å; C147-E195 CarbonylContact C-O 3.3Å; C147-E195 VanDerWaalsContact CA-O 3.25Å; C147-E195 WeakPolarHBondContact CA-O 3.48Å; C147-E195 WeakPolarHBondContact CB-O 3.31Å; C147-C197 HydrophobicContact CB-CB 3.92Å; C147-C197 WeakPolarHBondContact CB-SG 3.37Å; C147-C197 WeakPolarHBondContact SG-CA 3.41Å; C147-C197 WeakPolarHBondContact SG-CB 3.19Å; C147-C197 CovalentContact SG-SG 2.04Å; C147-C197 PolarHBondContact SG-SG 2.85Å; C147-L200 HydrophobicContact CB-CD2 4.18Å
148C96.4Very high93.7Very high0 Ų052 Ų520%025%0.247CC..  trans-141.6128.6175.7-174.20000111.7N152 Y153 C174 Y193 E195C148-N152 CarbonylContact O-C 3.59Å; C148-N152 WeakPolarHBondContact O-CA 3.29Å; C148-Y153 PolarHBondContact O-N 2.92Å; C148-Y153 WeakPolarHBondContact SG-CB 3.29Å; C148-C174 VanDerWaalsContact CA-SG 3.59Å; C148-C174 HydrophobicContact CB-CB 3.62Å; C148-C174 WeakPolarHBondContact CB-SG 3.34Å; C148-C174 WeakPolarHBondContact SG-CB 3.08Å; C148-C174 CovalentContact SG-SG 2.04Å; C148-C174 PolarHBondContact SG-SG 2.87Å; C148-Y193 WeakPolarHBondContact CB-O 3.27Å; C148-E195 PolarHBondContact N-O 3.39Å
149G94.6Very high93.7Very high0 Ų052.3 Ų52.30%025%0.249CC..SBendtrans70.7-170.6-176.700000112.6Y123 C197Y123-G149 PolarHBondContact OH-O 2.98Å; G149-C197 WeakPolarHBondContact O-CB 3.05Å; G149-C197 PolarHBondContact O-N 2.85Å; G149-C197 PolarHBondContact O-SG 2.94Å; G149-C197 VanDerWaalsContact O-SG 3.41Å
150I93.8Very high93.7Very high8 Ų856.5 Ų56.54%0.04127%0.271CS..SBendtrans-82.9-58.7-174.9-55.2-179.7000109.5I119 Q120 Y123 D155 G196 C197 E198I119-I150 HydrophobicContact CG2-CD1 4.39Å; I119-I150 HydrophobicContact CG2-CG1 4.24Å; I119-I150 HydrophobicContact CG2-CG2 4.17Å; Q120-I150 HydrophobicContact CG-CD1 4.32Å; Y123-I150 HydrophobicContact CD1-CG1 4.12Å; Y123-I150 HydrophobicContact CD2-CD1 4Å; Y123-I150 HydrophobicContact CD2-CG1 3.71Å; Y123-I150 HydrophobicContact CE1-CG1 4.23Å; Y123-I150 HydrophobicContact CE2-CG1 3.83Å; Y123-I150 HydrophobicContact CG-CD1 3.94Å; Y123-I150 HydrophobicContact CG-CG1 3.85Å; I150-D155 WeakPolarHBondContact CA-OD2 3.32Å; I150-D155 PolarHBondContact N-OD2 3.43Å; I150-G196 CarbonylContact O-C 3.47Å; I150-G196 VanDerWaalsContact O-C 3.28Å; I150-G196 VanDerWaalsContact O-CA 3.31Å; I150-G196 WeakPolarHBondContact O-CA 3.47Å; I150-C197 PolarHBondContact O-N 3.16Å; I150-C197 VanDerWaalsContact O-N 3.09Å; I150-E198 HydrophobicContact CG2-CB 4.05Å; I150-E198 VanDerWaalsContact O-CB 3.3Å; I150-E198 WeakPolarHBondContact O-CB 3.37Å; I150-E198 PolarHBondContact O-N 3.46Å
151H94.2Very high93.8Very high106 Ų10651.5 Ų51.549%0.49125%0.251SS..SBendtrans-101.7-34.3175.1-49.2-39.8000111.7D155 G196 E198H151-D155 WeakPolarHBondContact CA-OD2 3.33Å; H151-D155 IonicContact CG-OD2 2.61Å; H151-D155 PolarHBondContact N-OD2 3.14Å; H151-G196 VanDerWaalsContact O-CA 3.24Å; H151-G196 WeakPolarHBondContact O-CA 3.23Å; H151-G196 PolarHBondContact O-N 3.21Å; H151-G196 VanDerWaalsContact O-N 3.11Å; H151-E198 IonicContact CE1-OE2 3.44Å; H151-E198 PolarHBondContact CE1-OE2 3.41Å; H151-E198 IonicContact ND1-OE2 2.85Å; H151-E198 PolarHBondContact ND1-OE2 2.94Å
152N94.5Very high93.8Very high54 Ų5450.5 Ų50.529%0.28924%0.243SC..SBendtrans-166.6175.6172.76376.3000111.3C148 S154 D155C148-N152 CarbonylContact O-C 3.59Å; C148-N152 WeakPolarHBondContact O-CA 3.29Å; N152-S154 PolarHBondContact O-N 3.35Å; N152-S154 VanDerWaalsContact O-N 3.08Å; N152-S154 WeakPolarHBondContact OD1-CA 3.26Å; N152-S154 VanDerWaalsContact OD1-CB 3.23Å; N152-S154 WeakPolarHBondContact OD1-CB 3.43Å; N152-S154 PolarHBondContact OD1-N 3.36Å; N152-S154 PolarHBondContact OD1-OG 3.07Å; N152-D155 PolarHBondContact N-OD2 3.38Å; N152-D155 VanDerWaalsContact N-OD2 3.07Å; N152-D155 WeakPolarHBondContact O-CB 3.13Å; N152-D155 PolarHBondContact O-N 2.97Å; N152-D155 VanDerWaalsContact O-N 3.14Å; N152-D155 VanDerWaalsContact O-OD2 3.09Å
153Y94.9Very high93.6Very high71 Ų7155.9 Ų55.928%0.27827%0.266SS..G310 helixtrans-59.6-22.3-176.763.1-102.4000115C148 D155 W156 L186 P189 L192C148-Y153 PolarHBondContact O-N 2.92Å; C148-Y153 WeakPolarHBondContact SG-CB 3.29Å; Y153-D155 VanDerWaalsContact C-N 3.26Å; Y153-D155 PolarHBondContact O-N 3.04Å; Y153-W156 PolarHBondContact O-N 3.27Å; Y153-L186 HydrophobicContact CD2-CD2 3.69Å; Y153-L186 HydrophobicContact CE2-CD2 4.12Å; Y153-P189 HydrophobicContact CE1-CB 4.4Å; Y153-L192 HydrophobicContact CG-CD1 4.4Å
154S93.8Very high93.4Very high43 Ų4357.9 Ų57.930%0.30128%0.281SS..G310 helixtrans-73-16.1179.673.20000113.5N152 W156 E157N152-S154 PolarHBondContact O-N 3.35Å; N152-S154 VanDerWaalsContact O-N 3.08Å; N152-S154 WeakPolarHBondContact OD1-CA 3.26Å; N152-S154 VanDerWaalsContact OD1-CB 3.23Å; N152-S154 WeakPolarHBondContact OD1-CB 3.43Å; N152-S154 PolarHBondContact OD1-N 3.36Å; N152-S154 PolarHBondContact OD1-OG 3.07Å; S154-W156 PolarHBondContact O-N 3.33Å; S154-W156 VanDerWaalsContact O-N 3.11Å; S154-E157 WeakPolarHBondContact O-CB 3.17Å; S154-E157 WeakPolarHBondContact O-CG 3.18Å; S154-E157 PolarHBondContact O-N 3.03Å
155D93.6Very high93.1Very high31 Ų3154.7 Ų54.717%0.16627%0.269CS..G310 helixtrans-59.7-26.8176.6-65-36000112.2I150 H151 N152 Y153 E157 N158I150-D155 WeakPolarHBondContact CA-OD2 3.32Å; I150-D155 PolarHBondContact N-OD2 3.43Å; H151-D155 WeakPolarHBondContact CA-OD2 3.33Å; H151-D155 IonicContact CG-OD2 2.61Å; H151-D155 PolarHBondContact N-OD2 3.14Å; N152-D155 PolarHBondContact N-OD2 3.38Å; N152-D155 VanDerWaalsContact N-OD2 3.07Å; N152-D155 WeakPolarHBondContact O-CB 3.13Å; N152-D155 PolarHBondContact O-N 2.97Å; N152-D155 VanDerWaalsContact O-N 3.14Å; N152-D155 VanDerWaalsContact O-OD2 3.09Å; Y153-D155 VanDerWaalsContact C-N 3.26Å; Y153-D155 PolarHBondContact O-N 3.04Å; D155-E157 PolarHBondContact O-N 3.46Å; D155-N158 PolarHBondContact O-N 3.3Å
156W93.9Very high92.7Very high0 Ų061.2 Ų61.20%030%0.296CS..G310 helixtrans-58.3-32.8174.5-76.8107.4000112.7Y123 Y126 I138 Y153 S154 N158 T159 W161 F162 V170 P171Y123-W156 AromaticContact CD1-CH2 3.98Å; Y123-W156 HydrophobicContact CD1-CH2 3.98Å; Y123-W156 AromaticContact CD1-CZ2 3.98Å; Y123-W156 HydrophobicContact CD1-CZ2 3.98Å; Y123-W156 HydrophobicContact CD1-CZ3 4.45Å; Y123-W156 AromaticContact CE1-CE2 3.94Å; Y123-W156 AromaticContact CE1-CH2 3.92Å; Y123-W156 HydrophobicContact CE1-CH2 3.92Å; Y123-W156 AromaticContact CE1-CZ2 3.48Å; Y123-W156 HydrophobicContact CE1-CZ2 3.48Å; Y123-W156 VanDerWaalsContact CE1-CZ2 3.48Å; Y126-W156 AromaticContact CD1-CH2 3.85Å; Y126-W156 HydrophobicContact CD1-CH2 3.85Å; Y126-W156 AromaticContact CD1-CZ3 3.51Å; Y126-W156 HydrophobicContact CD1-CZ3 3.51Å; Y126-W156 AromaticContact CD2-CH2 3.68Å; Y126-W156 HydrophobicContact CD2-CH2 3.68Å; Y126-W156 HydrophobicContact CD2-CZ3 4.18Å; Y126-W156 HydrophobicContact CE1-CH2 4.08Å; Y126-W156 AromaticContact CE1-CZ3 3.95Å; Y126-W156 HydrophobicContact CE1-CZ3 3.95Å; Y126-W156 AromaticContact CE2-CH2 3.94Å; Y126-W156 HydrophobicContact CE2-CH2 3.94Å; Y126-W156 AromaticContact CG-CH2 3.65Å; Y126-W156 HydrophobicContact CG-CH2 3.65Å; Y126-W156 AromaticContact CG-CZ3 3.65Å; Y126-W156 HydrophobicContact CG-CZ3 3.65Å; I138-W156 HydrophobicContact CG2-CH2 3.92Å; I138-W156 HydrophobicContact CG2-CZ2 3.82Å; Y153-W156 PolarHBondContact O-N 3.27Å; S154-W156 PolarHBondContact O-N 3.33Å; S154-W156 VanDerWaalsContact O-N 3.11Å; W156-N158 PolarHBondContact O-N 2.82Å; W156-N158 VanDerWaalsContact O-N 3.09Å; W156-T159 HydrophobicContact CE3-CG2 3.9Å; W156-T159 HydrophobicContact CZ3-CG2 4.29Å; W156-T159 WeakPolarHBondContact O-CB 3.26Å; W156-T159 PolarHBondContact O-N 3.46Å; W156-T159 PolarHBondContact O-OG1 3.37Å; W156-W161 HydrophobicContact CE3-CE3 4.04Å; W156-W161 HydrophobicContact CE3-CZ3 4.33Å; W156-W161 HydrophobicContact CZ3-CE3 4.25Å; W156-F162 HydrophobicContact CB-CD2 4.29Å; W156-F162 WeakPolarHBondContact O-CB 3.29Å; W156-F162 WeakPolarHBondContact O-CG 3.34Å; W156-V170 HydrophobicContact CB-CB 4.49Å; W156-V170 HydrophobicContact CB-CG1 3.78Å; W156-V170 HydrophobicContact CG-CB 4.09Å; W156-V170 HydrophobicContact CG-CG1 3.81Å; W156-P171 HydrophobicContact CD2-CG 4.11Å; W156-P171 HydrophobicContact CE3-CG 4.13Å; W156-P171 HydrophobicContact CH2-CG 3.48Å; W156-P171 VanDerWaalsContact CH2-CG 3.48Å; W156-P171 HydrophobicContact CZ2-CB 4.48Å; W156-P171 HydrophobicContact CZ2-CG 3.43Å; W156-P171 VanDerWaalsContact CZ2-CG 3.43Å; W156-P171 HydrophobicContact CZ3-CG 3.83Å
157E93Very high92.3Very high97 Ų9762.7 Ų62.745%0.45331%0.307SS..G310 helixtrans-59.4-26.1179.8-62.9-176.7-158.700112.9S154 D155 F162 L186S154-E157 WeakPolarHBondContact O-CB 3.17Å; S154-E157 WeakPolarHBondContact O-CG 3.18Å; S154-E157 PolarHBondContact O-N 3.03Å; D155-E157 PolarHBondContact O-N 3.46Å; E157-F162 HydrophobicContact CB-CD1 4.39Å; E157-F162 HydrophobicContact CB-CE1 4.16Å; E157-F162 HydrophobicContact CB-CZ 4.5Å; E157-F162 HydrophobicContact CG-CE1 3.95Å; E157-F162 HydrophobicContact CG-CE2 4.34Å; E157-F162 HydrophobicContact CG-CZ 3.82Å; E157-L186 HydrophobicContact CG-CD1 4.07Å
158N90.5Very high92.1Very high123 Ų12369.3 Ų69.366%0.65834%0.338SS*.G310 helixtrans-86-11.3-179.4-64.2-54.4000113.6D155 W156 K163D155-N158 PolarHBondContact O-N 3.3Å; W156-N158 PolarHBondContact O-N 2.82Å; W156-N158 VanDerWaalsContact O-N 3.09Å; N158-K163 PolarHBondContact O-NZ 3.28Å; N158-K163 VanDerWaalsContact O-NZ 3.09Å
159T90.7Very high92Very high12 Ų1270.2 Ų70.27%0.07434%0.344CS..SBendtrans-77.8153.4-178.267.90000112.2W156 F162 K163W156-T159 HydrophobicContact CE3-CG2 3.9Å; W156-T159 HydrophobicContact CZ3-CG2 4.29Å; W156-T159 WeakPolarHBondContact O-CB 3.26Å; W156-T159 PolarHBondContact O-N 3.46Å; W156-T159 PolarHBondContact O-OG1 3.37Å; T159-F162 VanDerWaalsContact OG1-CB 3.3Å; T159-F162 WeakPolarHBondContact OG1-CB 3.14Å; T159-F162 PolarHBondContact OG1-N 3.28Å; T159-K163 WeakPolarHBondContact O-CG 3.34Å; T159-K163 PolarHBondContact O-N 3.17Å
160D91.1Very high92Very high104 Ų10470.4 Ų70.456%0.55635%0.345SS*.Hα-helixtrans-69.8-37178.1-65.6-29.1000111.5F162 K163 E164D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 2.88Å; D160-K163 PolarHBondContact O-N 3.43Å; D160-K163 IonicContact OD1-NZ 3.5Å; D160-K163 PolarHBondContact OD1-NZ 3Å; D160-E164 WeakPolarHBondContact O-CB 3.34Å; D160-E164 PolarHBondContact O-N 3.38Å
161W91Very high92Very high36 Ų3670.2 Ų70.214%0.13634%0.344CS..Hα-helixtrans-57.3-43.4174.8174.881000113.5Y126 N127 W156 E164 T165 S169 P171Y126-W161 HydrophobicContact CD1-CB 4.04Å; Y126-W161 AromaticContact CD1-CD2 3.84Å; Y126-W161 HydrophobicContact CD1-CD2 3.84Å; Y126-W161 HydrophobicContact CD1-CE3 4.28Å; Y126-W161 AromaticContact CD1-CG 3.7Å; Y126-W161 HydrophobicContact CD1-CG 3.7Å; Y126-W161 AromaticContact CE1-CD2 3.71Å; Y126-W161 HydrophobicContact CE1-CD2 3.71Å; Y126-W161 AromaticContact CE1-CE2 3.78Å; Y126-W161 HydrophobicContact CE1-CE3 4.14Å; Y126-W161 AromaticContact CE1-CG 3.98Å; Y126-W161 HydrophobicContact CE1-CG 3.98Å; Y126-W161 HydrophobicContact CE1-CZ2 4.28Å; Y126-W161 WeakPolarHBondContact O-CB 3.21Å; N127-W161 VanDerWaalsContact O-CD1 3.23Å; N127-W161 PolarHBondContact O-NE1 2.99Å; W156-W161 HydrophobicContact CE3-CE3 4.04Å; W156-W161 HydrophobicContact CE3-CZ3 4.33Å; W156-W161 HydrophobicContact CZ3-CE3 4.25Å; W161-E164 PolarHBondContact O-N 2.93Å; W161-T165 WeakPolarHBondContact O-CB 3.32Å; W161-T165 PolarHBondContact O-N 2.89Å; W161-T165 PolarHBondContact O-OG1 2.79Å; W161-S169 WeakPolarHBondContact CZ3-O 3.4Å; W161-P171 HydrophobicContact CH2-CG 4.2Å; W161-P171 HydrophobicContact CZ3-CG 4.12Å
162F92.4Very high92Very high26 Ų2670.3 Ų70.311%0.11435%0.348CS..Hα-helixtrans-64.8-41.9178.7-176.6-86.2000111.6W156 E157 T159 D160 E164 K166 S169 L186W156-F162 HydrophobicContact CB-CD2 4.29Å; W156-F162 WeakPolarHBondContact O-CB 3.29Å; W156-F162 WeakPolarHBondContact O-CG 3.34Å; E157-F162 HydrophobicContact CB-CD1 4.39Å; E157-F162 HydrophobicContact CB-CE1 4.16Å; E157-F162 HydrophobicContact CB-CZ 4.5Å; E157-F162 HydrophobicContact CG-CE1 3.95Å; E157-F162 HydrophobicContact CG-CE2 4.34Å; E157-F162 HydrophobicContact CG-CZ 3.82Å; T159-F162 VanDerWaalsContact OG1-CB 3.3Å; T159-F162 WeakPolarHBondContact OG1-CB 3.14Å; T159-F162 PolarHBondContact OG1-N 3.28Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 2.88Å; F162-E164 VanDerWaalsContact C-N 3.32Å; F162-E164 PolarHBondContact O-N 3.4Å; F162-K166 PolarHBondContact O-N 3.13Å; F162-S169 WeakPolarHBondContact CD2-O 3.1Å; F162-L186 HydrophobicContact CE2-CD1 3.7Å; F162-L186 HydrophobicContact CE2-CG 4.49Å; F162-L186 HydrophobicContact CZ-CD1 3.57Å
163K91.6Very high92Very high112 Ų11267.8 Ų67.849%0.48734%0.335SS..Hα-helixtrans-65.7-34.2176.9-65.3168.9-162.7152.30112.4N158 T159 D160 K166N158-K163 PolarHBondContact O-NZ 3.28Å; N158-K163 VanDerWaalsContact O-NZ 3.09Å; T159-K163 WeakPolarHBondContact O-CG 3.34Å; T159-K163 PolarHBondContact O-N 3.17Å; D160-K163 PolarHBondContact O-N 3.43Å; D160-K163 IonicContact OD1-NZ 3.5Å; D160-K163 PolarHBondContact OD1-NZ 3Å; K163-K166 WeakPolarHBondContact O-CG 3.5Å
164E90.2Very high92.1Very high158 Ų15864.4 Ų64.474%0.73832%0.321SS*.Hα-helixtrans-74.9-43.8178.6-173.1171-170.600112D160 W161 F162 K166D160-E164 WeakPolarHBondContact O-CB 3.34Å; D160-E164 PolarHBondContact O-N 3.38Å; W161-E164 PolarHBondContact O-N 2.93Å; F162-E164 VanDerWaalsContact C-N 3.32Å; F162-E164 PolarHBondContact O-N 3.4Å; E164-K166 PolarHBondContact O-N 3.5Å
165T88.3Confident92.2Very high46 Ų4663.4 Ų63.428%0.28231%0.314SS..Hα-helixtrans-69.4-32.7-177.3-55.20000112.4W161 N167W161-T165 WeakPolarHBondContact O-CB 3.32Å; W161-T165 PolarHBondContact O-N 2.89Å; W161-T165 PolarHBondContact O-OG1 2.79Å; T165-N167 HydrophobicContact CG2-CB 4.05Å; T165-N167 PolarHBondContact O-N 3.5Å; T165-N167 PolarHBondContact O-OD1 2.74Å
166K85.3Confident92.3Very high172 Ų17266.9 Ų66.975%0.74833%0.325SS*.  trans55.813.5176.6-60-177.4-176.4179.10116.5F162 K163 E164F162-K166 PolarHBondContact O-N 3.13Å; K163-K166 WeakPolarHBondContact O-CG 3.5Å; E164-K166 PolarHBondContact O-N 3.5Å
167N88.3Confident92.2Very high117 Ų11774.6 Ų74.663%0.62636%0.361SS*.SBendtrans-92.14.9-178.2-67.6-17.4000114.1T165 S169T165-N167 HydrophobicContact CG2-CB 4.05Å; T165-N167 PolarHBondContact O-N 3.5Å; T165-N167 PolarHBondContact O-OD1 2.74Å; N167-S169 PolarHBondContact O-N 3.45Å
168Q91.9Very high92.1Very high140 Ų14075.8 Ų75.865%0.65438%0.375SS*.SBendtrans49.943.3-174-60.5-172.5-46.500112.5L186Q168-L186 WeakPolarHBondContact O-CB 3.41Å; Q168-L186 WeakPolarHBondContact O-CG 3.33Å; Q168-L186 PolarHBondContact O-N 3.23Å
169S94Very high92.2Very high19 Ų1970.9 Ų70.913%0.13335%0.351CS..BIsolated β-bridgetrans-128.9143-175.6590000111.4W161 F162 N167 G184W161-S169 WeakPolarHBondContact CZ3-O 3.4Å; F162-S169 WeakPolarHBondContact CD2-O 3.1Å; N167-S169 PolarHBondContact O-N 3.45Å; S169-G184 CarbonylContact C-O 3.28Å; S169-G184 WeakPolarHBondContact CA-O 3.45Å
170V94.8Very high92.2Very high3 Ų375.1 Ų75.12%0.01838%0.381CS..  trans-90.8167.5168.9-56.80000110.3W156 C174 G184 L186 L192W156-V170 HydrophobicContact CB-CB 4.49Å; W156-V170 HydrophobicContact CB-CG1 3.78Å; W156-V170 HydrophobicContact CG-CB 4.09Å; W156-V170 HydrophobicContact CG-CG1 3.81Å; V170-C174 HydrophobicContact CB-CB 4.44Å; V170-C174 HydrophobicContact CG2-CB 3.59Å; V170-G184 WeakPolarHBondContact CG2-O 3.24Å; V170-G184 PolarHBondContact N-O 3.48Å; V170-L186 HydrophobicContact CG1-CD2 3.85Å; V170-L186 HydrophobicContact CG1-CG 4.5Å; V170-L192 HydrophobicContact CG2-CD1 3.72Å; V170-L192 HydrophobicContact CG2-CD2 3.75Å; V170-L192 HydrophobicContact CG2-CG 4.36Å
171P94.3Very high92.1Very high4 Ų477.9 Ų77.93%0.02640%0.396CS..  trans-55.7146.8175.2-31.541.1000113.4Y126 W156 W161 S173 C174Y126-P171 HydrophobicContact CE1-CG 3.77Å; Y126-P171 HydrophobicContact CE2-CG 4.26Å; Y126-P171 WeakPolarHBondContact OH-CB 3.37Å; Y126-P171 WeakPolarHBondContact OH-CG 3.42Å; W156-P171 HydrophobicContact CD2-CG 4.11Å; W156-P171 HydrophobicContact CE3-CG 4.13Å; W156-P171 HydrophobicContact CH2-CG 3.48Å; W156-P171 VanDerWaalsContact CH2-CG 3.48Å; W156-P171 HydrophobicContact CZ2-CB 4.48Å; W156-P171 HydrophobicContact CZ2-CG 3.43Å; W156-P171 VanDerWaalsContact CZ2-CG 3.43Å; W156-P171 HydrophobicContact CZ3-CG 3.83Å; W161-P171 HydrophobicContact CH2-CG 4.2Å; W161-P171 HydrophobicContact CZ3-CG 4.12Å; P171-S173 WeakPolarHBondContact CB-OG 3.25Å; P171-S173 PolarHBondContact O-N 3.23Å; P171-S173 VanDerWaalsContact O-N 3.1Å; P171-C174 VanDerWaalsContact O-CB 3.24Å; P171-C174 WeakPolarHBondContact O-CB 3.02Å; P171-C174 PolarHBondContact O-N 3.47Å
172L94.1Very high92.3Very high109 Ų10977.2 Ų77.257%0.57140%0.397SS*.G310 helixtrans-62.7-19.5178-63.4177.8000113C174 C175L172-C174 PolarHBondContact O-N 2.87Å; L172-C175 VanDerWaalsContact O-CB 3.29Å; L172-C175 WeakPolarHBondContact O-CB 3.39Å; L172-C175 PolarHBondContact O-N 2.93Å; L172-C175 VanDerWaalsContact O-N 3.13Å
173S94.6Very high92.3Very high1 Ų180.7 Ų80.71%0.00742%0.417CS..G310 helixtrans-64.5-17.7171.350.80000113.6D139 Q142 P171 C175D139-S173 VanDerWaalsContact CG-OG 3.26Å; D139-S173 WeakPolarHBondContact O-CB 3.28Å; D139-S173 WeakPolarHBondContact OD1-CB 3.4Å; D139-S173 PolarHBondContact OD1-OG 2.95Å; Q142-S173 PolarHBondContact NE2-OG 3.3Å; P171-S173 WeakPolarHBondContact CB-OG 3.25Å; P171-S173 PolarHBondContact O-N 3.23Å; P171-S173 VanDerWaalsContact O-N 3.1Å; S173-C175 VanDerWaalsContact C-N 3.33Å
174C96.3Very high92.4Very high0 Ų075.3 Ų75.30%039%0.393CS..G310 helixtrans-79-11.5171.8-74.20000114.4Q142 C148 V170 P171 L172 L192 Y193Q142-C174 PolarHBondContact NE2-SG 2.93Å; Q142-C174 PolarHBondContact OE1-SG 2.57Å; C148-C174 VanDerWaalsContact CA-SG 3.59Å; C148-C174 HydrophobicContact CB-CB 3.62Å; C148-C174 WeakPolarHBondContact CB-SG 3.34Å; C148-C174 WeakPolarHBondContact SG-CB 3.08Å; C148-C174 CovalentContact SG-SG 2.04Å; C148-C174 PolarHBondContact SG-SG 2.87Å; V170-C174 HydrophobicContact CB-CB 4.44Å; V170-C174 HydrophobicContact CG2-CB 3.59Å; P171-C174 VanDerWaalsContact O-CB 3.24Å; P171-C174 WeakPolarHBondContact O-CB 3.02Å; P171-C174 PolarHBondContact O-N 3.47Å; L172-C174 PolarHBondContact O-N 2.87Å; C174-L192 HydrophobicContact CB-CD2 4.25Å; C174-L192 WeakPolarHBondContact O-CA 3.47Å; C174-Y193 WeakPolarHBondContact O-CD2 3.19Å; C174-Y193 PolarHBondContact O-N 3.07Å
175C97Very high92.6Very high22 Ų2268.9 Ų68.915%0.14937%0.366CS..BIsolated β-bridgetrans-71.1136.2-178-71.50000111.4L172 S173 C182 Y193L172-C175 VanDerWaalsContact O-CB 3.29Å; L172-C175 WeakPolarHBondContact O-CB 3.39Å; L172-C175 PolarHBondContact O-N 2.93Å; L172-C175 VanDerWaalsContact O-N 3.13Å; S173-C175 VanDerWaalsContact C-N 3.33Å; C175-C182 HydrophobicContact CB-CB 3.55Å; C175-C182 WeakPolarHBondContact CB-SG 3.4Å; C175-C182 WeakPolarHBondContact SG-CB 3.46Å; C175-C182 CovalentContact SG-SG 2.03Å; C175-C182 PolarHBondContact SG-SG 3.3Å; C175-Y193 WeakPolarHBondContact O-CE2 3.28Å; C175-Y193 PolarHBondContact O-OH 2.92Å
176R95.8Very high92.8Very high104 Ų10468.4 Ų68.439%0.39236%0.361SS..  trans-65.9138.5170.5-68.3-162.9-76.2159.20110.3T178 A179 S190 D191 Y193R176-T178 PolarHBondContact O-N 2.87Å; R176-T178 VanDerWaalsContact O-N 3.15Å; R176-A179 HydrophobicContact CB-CB 4.27Å; R176-A179 WeakPolarHBondContact O-CB 3.26Å; R176-A179 PolarHBondContact O-N 2.86Å; R176-S190 PolarHBondContact NE-O 3.23Å; R176-S190 PolarHBondContact NH2-O 3.41Å; R176-D191 PolarHBondContact N-O 3.17Å; R176-Y193 HydrophobicContact CB-CE1 4.23Å; R176-Y193 HydrophobicContact CG-CD1 3.68Å; R176-Y193 HydrophobicContact CG-CE1 3.64Å; R176-Y193 HydrophobicContact CG-CG 4.33Å
177E91.4Very high93.2Very high161 Ų16163.8 Ų63.875%0.75236%0.355SS*.THydrogen-bonded Turntrans-59.1-28.8176.8-64.6-176.4174.900112.9H146 A179H146-E177 IonicContact CE1-OE1 3.48Å; H146-E177 PolarHBondContact CE1-OE1 3.04Å; E177-A179 VanDerWaalsContact C-N 3.31Å
178T91.4Very high93.4Very high122 Ų12263.2 Ų63.275%0.74835%0.349SS*.THydrogen-bonded Turntrans-78.7-11.6177.257.60000113.8R176 S180R176-T178 PolarHBondContact O-N 2.87Å; R176-T178 VanDerWaalsContact O-N 3.15Å; T178-S180 PolarHBondContact O-N 3.35Å
179A91.4Very high93.4Very high20 Ų2059.2 Ų59.217%0.16534%0.335CS..  trans-82.6110.8-177.300000110.6R176 E177 N181 C182 D191R176-A179 HydrophobicContact CB-CB 4.27Å; R176-A179 WeakPolarHBondContact O-CB 3.26Å; R176-A179 PolarHBondContact O-N 2.86Å; E177-A179 VanDerWaalsContact C-N 3.31Å; A179-N181 PolarHBondContact O-N 3.25Å; A179-C182 HydrophobicContact CB-CB 3.94Å; A179-D191 HydrophobicContact CB-CB 3.74Å
180S90.1Very high93.4Very high101 Ų10161.6 Ų61.671%0.70635%0.351SS*.THydrogen-bonded Turntrans-70.6127.6174.458.50000110.7T178 C182T178-S180 PolarHBondContact O-N 3.35Å; S180-C182 VanDerWaalsContact C-N 3.33Å; S180-C182 PolarHBondContact O-N 3.43Å
181N90.9Very high93.4Very high162 Ų16263.5 Ų63.587%0.86636%0.361SS*.THydrogen-bonded Turntrans60.932.4176.9-53.8-42.1000115A179 N183A179-N181 PolarHBondContact O-N 3.25Å; N181-N183 PolarHBondContact O-N 3.45Å
182C93.9Very high93.5Very high23 Ų2363.6 Ų63.616%0.15536%0.361CS..  trans-62.2126.5174.1179.40000111.2C175 A179 S180 D191C175-C182 HydrophobicContact CB-CB 3.55Å; C175-C182 WeakPolarHBondContact CB-SG 3.4Å; C175-C182 WeakPolarHBondContact SG-CB 3.46Å; C175-C182 CovalentContact SG-SG 2.03Å; C175-C182 PolarHBondContact SG-SG 3.3Å; A179-C182 HydrophobicContact CB-CB 3.94Å; S180-C182 VanDerWaalsContact C-N 3.33Å; S180-C182 PolarHBondContact O-N 3.43Å; C182-D191 HydrophobicContact CB-CB 4.26Å
183N93.2Very high93.6Very high98 Ų9859.5 Ų59.552%0.52434%0.339SS..  trans-110.610.1179.466.7-1.3000113N181 S185N181-N183 PolarHBondContact O-N 3.45Å; N183-S185 PolarHBondContact O-N 3.16Å; N183-S185 WeakPolarHBondContact OD1-CB 3.31Å; N183-S185 PolarHBondContact OD1-N 2.04Å
184G93.6Very high93.6Very high0 Ų063 Ų630%037%0.368CS..  trans74.34.5-176.800000114.8S169 V170 L186S169-G184 CarbonylContact C-O 3.28Å; S169-G184 WeakPolarHBondContact CA-O 3.45Å; V170-G184 WeakPolarHBondContact CG2-O 3.24Å; V170-G184 PolarHBondContact N-O 3.48Å; G184-L186 PolarHBondContact O-N 2.9Å
185S94.5Very high93.5Very high23 Ų2368.8 Ų68.816%0.16140%0.395CS..BIsolated β-bridgetrans-65.9134.4-175.6-176.50000112.8N183 A187 H188N183-S185 PolarHBondContact O-N 3.16Å; N183-S185 WeakPolarHBondContact OD1-CB 3.31Å; N183-S185 PolarHBondContact OD1-N 2.04Å; S185-A187 PolarHBondContact O-N 3.41Å; S185-A187 WeakPolarHBondContact OG-CB 3.3Å; S185-A187 PolarHBondContact OG-N 2.88Å; S185-H188 PolarHBondContact O-N 2.92Å
186L93Very high93.4Very high36 Ų3668 Ų6819%0.18839%0.39CS..THydrogen-bonded Turntrans-66.4-10.8172-67176.1000113.4Y153 E157 F162 Q168 V170 G184 H188 L192Y153-L186 HydrophobicContact CD2-CD2 3.69Å; Y153-L186 HydrophobicContact CE2-CD2 4.12Å; E157-L186 HydrophobicContact CG-CD1 4.07Å; F162-L186 HydrophobicContact CE2-CD1 3.7Å; F162-L186 HydrophobicContact CE2-CG 4.49Å; F162-L186 HydrophobicContact CZ-CD1 3.57Å; Q168-L186 WeakPolarHBondContact O-CB 3.41Å; Q168-L186 WeakPolarHBondContact O-CG 3.33Å; Q168-L186 PolarHBondContact O-N 3.23Å; V170-L186 HydrophobicContact CG1-CD2 3.85Å; V170-L186 HydrophobicContact CG1-CG 4.5Å; G184-L186 PolarHBondContact O-N 2.9Å; L186-H188 VanDerWaalsContact C-N 3.27Å; L186-H188 PolarHBondContact O-N 3.31Å; L186-L192 HydrophobicContact CD2-CD1 4.42Å
187A92.5Very high93.3Very high74 Ų7463.2 Ų63.261%0.61237%0.373SS*.THydrogen-bonded Turntrans-70.3-23.6173.300000112.9S185 P189S185-A187 PolarHBondContact O-N 3.41Å; S185-A187 WeakPolarHBondContact OG-CB 3.3Å; S185-A187 PolarHBondContact OG-N 2.88Å; A187-P189 VanDerWaalsContact C-CD 3.42Å; A187-P189 WeakPolarHBondContact O-CD 3.33Å
188H92.5Very high93.2Very high106 Ų10658.3 Ų58.349%0.49135%0.35SS..  trans-12267.3178.8-63.1-60.5000110.6S185 L186 S190 D191S185-H188 PolarHBondContact O-N 2.92Å; L186-H188 VanDerWaalsContact C-N 3.27Å; L186-H188 PolarHBondContact O-N 3.31Å; H188-S190 PolarHBondContact O-N 3.23Å; H188-S190 VanDerWaalsContact O-N 3.1Å; H188-D191 PolarHBondContact O-N 2.89Å
189P92.6Very high93.2Very high56 Ų5655.7 Ų55.736%0.36434%0.341SS..G310 helixtrans-65.1-17.9-177.628.4-35.7000112.7Y153 A187 D191 L192Y153-P189 HydrophobicContact CE1-CB 4.4Å; A187-P189 VanDerWaalsContact C-CD 3.42Å; A187-P189 WeakPolarHBondContact O-CD 3.33Å; P189-D191 PolarHBondContact O-N 3.02Å; P189-L192 PolarHBondContact O-N 3.11Å
190S93.5Very high93.2Very high69 Ų6956.3 Ų56.348%0.48334%0.341SS..G310 helixtrans-57.2-35.7169.554.30000111.2R176 H188 L192R176-S190 PolarHBondContact NE-O 3.23Å; R176-S190 PolarHBondContact NH2-O 3.41Å; H188-S190 PolarHBondContact O-N 3.23Å; H188-S190 VanDerWaalsContact O-N 3.1Å; S190-L192 PolarHBondContact O-N 3.09Å
191D95.3Very high93.2Very high43 Ų4352.9 Ų52.923%0.2332%0.316CS..G310 helixtrans-79.3-6.6-171.6-62.4-8.5000112.6R176 A179 C182 H188 P189R176-D191 PolarHBondContact N-O 3.17Å; A179-D191 HydrophobicContact CB-CB 3.74Å; C182-D191 HydrophobicContact CB-CB 4.26Å; H188-D191 PolarHBondContact O-N 2.89Å; P189-D191 PolarHBondContact O-N 3.02Å
192L96.6Very high93Very high5 Ų548.2 Ų48.23%0.02629%0.293CS..BIsolated β-bridgetrans-101.7157.6-176.1-52178.9000111.9Y153 V170 C174 L186 P189 S190 A194Y153-L192 HydrophobicContact CG-CD1 4.4Å; V170-L192 HydrophobicContact CG2-CD1 3.72Å; V170-L192 HydrophobicContact CG2-CD2 3.75Å; V170-L192 HydrophobicContact CG2-CG 4.36Å; C174-L192 HydrophobicContact CB-CD2 4.25Å; C174-L192 WeakPolarHBondContact O-CA 3.47Å; L186-L192 HydrophobicContact CD2-CD1 4.42Å; P189-L192 PolarHBondContact O-N 3.11Å; S190-L192 PolarHBondContact O-N 3.09Å; L192-A194 PolarHBondContact O-N 3.45Å
193Y96.4Very high92.8Very high23 Ų2353.1 Ų53.19%0.0931%0.312CS..  trans-68.1128166.2-60.1-64.9000110.5H146 C148 C174 C175 R176H146-Y193 VanDerWaalsContact C-CD1 3.44Å; H146-Y193 HydrophobicContact CB-CD1 3.72Å; H146-Y193 HydrophobicContact CB-CE1 3.36Å; H146-Y193 HydrophobicContact CB-CE2 4.42Å; H146-Y193 HydrophobicContact CB-CG 4.39Å; H146-Y193 AromaticContact CG-CE1 3.83Å; H146-Y193 AromaticContact CG-CZ 3.96Å; H146-Y193 AromaticContact ND1-CE1 3.67Å; H146-Y193 AromaticContact ND1-CZ 3.4Å; H146-Y193 PolarHBondContact ND1-OH 2.67Å; H146-Y193 WeakPolarHBondContact O-CB 3.49Å; H146-Y193 WeakPolarHBondContact O-CD1 3.43Å; C148-Y193 WeakPolarHBondContact CB-O 3.27Å; C174-Y193 WeakPolarHBondContact O-CD2 3.19Å; C174-Y193 PolarHBondContact O-N 3.07Å; C175-Y193 WeakPolarHBondContact O-CE2 3.28Å; C175-Y193 PolarHBondContact O-OH 2.92Å; R176-Y193 HydrophobicContact CB-CE1 4.23Å; R176-Y193 HydrophobicContact CG-CD1 3.68Å; R176-Y193 HydrophobicContact CG-CE1 3.64Å; R176-Y193 HydrophobicContact CG-CG 4.33Å
194A93.8Very high92.6Very high76 Ų7653.1 Ų53.163%0.62831%0.307SS*.  trans-81-27.4-179.300000113L192L192-A194 PolarHBondContact O-N 3.45Å
195E94.8Very high92.2Very high121 Ų12157.3 Ų57.357%0.56533%0.329SS*.SBendtrans-84.6136.7-177-62.4-173.3165.700111.2C147 C148 L200C147-E195 CarbonylContact C-O 3.3Å; C147-E195 VanDerWaalsContact CA-O 3.25Å; C147-E195 WeakPolarHBondContact CA-O 3.48Å; C147-E195 WeakPolarHBondContact CB-O 3.31Å; C148-E195 PolarHBondContact N-O 3.39Å; E195-L200 HydrophobicContact CB-CD1 4Å; E195-L200 HydrophobicContact CB-CD2 4.45Å; E195-L200 VanDerWaalsContact OE2-CD1 3.32Å; E195-L200 WeakPolarHBondContact OE2-CD1 2.87Å
196G94.2Very high91.9Very high5 Ų561.6 Ų61.65%0.05235%0.346CS..  trans-72.9152.6172.100000113.1I150 H151 E198I150-G196 CarbonylContact O-C 3.47Å; I150-G196 VanDerWaalsContact O-C 3.28Å; I150-G196 VanDerWaalsContact O-CA 3.31Å; I150-G196 WeakPolarHBondContact O-CA 3.47Å; H151-G196 VanDerWaalsContact O-CA 3.24Å; H151-G196 WeakPolarHBondContact O-CA 3.23Å; H151-G196 PolarHBondContact O-N 3.21Å; H151-G196 VanDerWaalsContact O-N 3.11Å; G196-E198 PolarHBondContact O-N 3.31Å
197C93.8Very high91.7Very high4 Ų464 Ų643%0.02736%0.357CS..Hα-helixtrans-71.3-27-177-64.50000113.8V141 C147 G149 I150 L200 V201V141-C197 HydrophobicContact CG1-CB 4.22Å; C147-C197 HydrophobicContact CB-CB 3.92Å; C147-C197 WeakPolarHBondContact CB-SG 3.37Å; C147-C197 WeakPolarHBondContact SG-CA 3.41Å; C147-C197 WeakPolarHBondContact SG-CB 3.19Å; C147-C197 CovalentContact SG-SG 2.04Å; C147-C197 PolarHBondContact SG-SG 2.85Å; G149-C197 WeakPolarHBondContact O-CB 3.05Å; G149-C197 PolarHBondContact O-N 2.85Å; G149-C197 PolarHBondContact O-SG 2.94Å; G149-C197 VanDerWaalsContact O-SG 3.41Å; I150-C197 PolarHBondContact O-N 3.16Å; I150-C197 VanDerWaalsContact O-N 3.09Å; C197-L200 PolarHBondContact O-N 3.15Å; C197-V201 VanDerWaalsContact O-CB 3.26Å; C197-V201 WeakPolarHBondContact O-CB 3.43Å; C197-V201 WeakPolarHBondContact O-CG2 3.35Å; C197-V201 PolarHBondContact O-N 2.85Å
198E90Very high91.5Very high57 Ų5765 Ų6527%0.26635%0.351SS..Hα-helixtrans-61.4-52.4-177.3-174.3-165.4173.800111.9I150 H151 G196 L200 V201 V202I150-E198 HydrophobicContact CG2-CB 4.05Å; I150-E198 VanDerWaalsContact O-CB 3.3Å; I150-E198 WeakPolarHBondContact O-CB 3.37Å; I150-E198 PolarHBondContact O-N 3.46Å; H151-E198 IonicContact CE1-OE2 3.44Å; H151-E198 PolarHBondContact CE1-OE2 3.41Å; H151-E198 IonicContact ND1-OE2 2.85Å; H151-E198 PolarHBondContact ND1-OE2 2.94Å; G196-E198 PolarHBondContact O-N 3.31Å; E198-L200 VanDerWaalsContact C-N 3.25Å; E198-L200 PolarHBondContact O-N 3.22Å; E198-V201 PolarHBondContact O-N 3.3Å; E198-V202 WeakPolarHBondContact O-CB 3.36Å; E198-V202 VanDerWaalsContact O-CG2 3.29Å; E198-V202 WeakPolarHBondContact O-CG2 3.33Å; E198-V202 PolarHBondContact O-N 3.24Å
199A90Very high91.2Very high67 Ų6765 Ų6555%0.55435%0.352SS*.Hα-helixtrans-60.9-37-178.900000111.9K203A199-K203 WeakPolarHBondContact O-CB 3.05Å; A199-K203 PolarHBondContact O-N 3.02Å
200L92.3Very high90.9Very high33 Ų3366.9 Ų66.917%0.17336%0.358CS..Hα-helixtrans-76.9-38.8-179.1-87.162.5000111.7L145 C147 E195 C197 E198 K203 K204L145-L200 HydrophobicContact CD1-CB 4.46Å; L145-L200 WeakPolarHBondContact O-CD2 3.23Å; C147-L200 HydrophobicContact CB-CD2 4.18Å; E195-L200 HydrophobicContact CB-CD1 4Å; E195-L200 HydrophobicContact CB-CD2 4.45Å; E195-L200 VanDerWaalsContact OE2-CD1 3.32Å; E195-L200 WeakPolarHBondContact OE2-CD1 2.87Å; C197-L200 PolarHBondContact O-N 3.15Å; E198-L200 VanDerWaalsContact C-N 3.25Å; E198-L200 PolarHBondContact O-N 3.22Å; L200-K203 PolarHBondContact O-N 2.83Å; L200-K204 WeakPolarHBondContact O-CB 3.31Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 2.96Å; L200-K204 PolarHBondContact O-N 2.96Å
201V89.5Confident90.8Very high30 Ų3070.1 Ų70.118%0.18237%0.365CS..Hα-helixtrans-60.5-48171.2168.40000109.8V141 L145 C197 E198 K203 K204 L205V141-V201 HydrophobicContact CG1-CG2 4.13Å; L145-V201 HydrophobicContact CD1-CB 4.38Å; L145-V201 HydrophobicContact CD1-CG2 3.45Å; L145-V201 VanDerWaalsContact CD1-CG2 3.45Å; C197-V201 VanDerWaalsContact O-CB 3.26Å; C197-V201 WeakPolarHBondContact O-CB 3.43Å; C197-V201 WeakPolarHBondContact O-CG2 3.35Å; C197-V201 PolarHBondContact O-N 2.85Å; E198-V201 PolarHBondContact O-N 3.3Å; V201-K203 PolarHBondContact O-N 2.84Å; V201-K204 PolarHBondContact O-N 3.45Å; V201-L205 HydrophobicContact CG1-CD1 3.78Å; V201-L205 HydrophobicContact CG1-CG 4.17Å; V201-L205 WeakPolarHBondContact O-CB 3.41Å; V201-L205 VanDerWaalsContact O-CG 3.26Å; V201-L205 WeakPolarHBondContact O-CG 3.46Å; V201-L205 PolarHBondContact O-N 2.83Å
202V86.8Confident90.5Very high64 Ų6472.3 Ų72.339%0.38838%0.379SS..Hα-helixtrans-59.7-46.5177.7170.30000111E198 K204 L205 Q206E198-V202 WeakPolarHBondContact O-CB 3.36Å; E198-V202 VanDerWaalsContact O-CG2 3.29Å; E198-V202 WeakPolarHBondContact O-CG2 3.33Å; E198-V202 PolarHBondContact O-N 3.24Å; V202-K204 PolarHBondContact O-N 3.21Å; V202-L205 PolarHBondContact O-N 3.32Å; V202-Q206 WeakPolarHBondContact O-CG 3.32Å; V202-Q206 PolarHBondContact O-N 2.94Å
203K89.7Confident90.2Very high125 Ų12575.7 Ų75.754%0.54340%0.397SS..Hα-helixtrans-59.5-44.8176.2-176.4179.8177.2-177.60111.9A199 L200 V201 Q206 E207A199-K203 WeakPolarHBondContact O-CB 3.05Å; A199-K203 PolarHBondContact O-N 3.02Å; L200-K203 PolarHBondContact O-N 2.83Å; V201-K203 PolarHBondContact O-N 2.84Å; K203-Q206 PolarHBondContact O-N 3.13Å; K203-E207 PolarHBondContact O-N 3.1Å; K203-E207 VanDerWaalsContact O-N 3.1Å
204K88.4Confident90.1Very high99 Ų9982.6 Ų82.643%0.4342%0.423SS..Hα-helixtrans-65.3-40.1176.9-76.9-71.9174.3-1580112.7L145 L200 V201 V202 Q206 E207 I208L145-K204 HydrophobicContact CD2-CD 4.42Å; L145-K204 HydrophobicContact CD2-CG 3.82Å; L200-K204 WeakPolarHBondContact O-CB 3.31Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 2.96Å; L200-K204 PolarHBondContact O-N 2.96Å; V201-K204 PolarHBondContact O-N 3.45Å; V202-K204 PolarHBondContact O-N 3.21Å; K204-Q206 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 3.31Å; K204-E207 IonicContact NZ-OE2 2.75Å; K204-E207 PolarHBondContact NZ-OE2 3.38Å; K204-E207 VanDerWaalsContact NZ-OE2 3.11Å; K204-E207 PolarHBondContact O-N 3.33Å; K204-I208 VanDerWaalsContact O-CG1 3.28Å; K204-I208 WeakPolarHBondContact O-CG1 3.24Å; K204-I208 PolarHBondContact O-N 2.04Å
205L86.8Confident90Very high88 Ų8882 Ų8246%0.46142%0.418SS..Hα-helixtrans-63.5-39175.1-73.8175.2000111.5V201 V202 I208 M209V201-L205 HydrophobicContact CG1-CD1 3.78Å; V201-L205 HydrophobicContact CG1-CG 4.17Å; V201-L205 WeakPolarHBondContact O-CB 3.41Å; V201-L205 VanDerWaalsContact O-CG 3.26Å; V201-L205 WeakPolarHBondContact O-CG 3.46Å; V201-L205 PolarHBondContact O-N 2.83Å; V202-L205 PolarHBondContact O-N 3.32Å; L205-I208 PolarHBondContact O-N 3.25Å; L205-M209 VanDerWaalsContact O-CB 3.24Å; L205-M209 WeakPolarHBondContact O-CB 3.34Å; L205-M209 PolarHBondContact O-N 3.28Å
206Q86.7Confident89.9Confident112 Ų11277.5 Ų77.552%0.52340%0.401SS..Hα-helixtrans-63.2-42.9174.5-73174.8-7.900112.1V202 K203 K204 M209 M210V202-Q206 WeakPolarHBondContact O-CG 3.32Å; V202-Q206 PolarHBondContact O-N 2.94Å; K203-Q206 PolarHBondContact O-N 3.13Å; K204-Q206 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 3.31Å; Q206-M209 PolarHBondContact O-N 3.21Å; Q206-M210 PolarHBondContact O-N 2.61Å
207E88.7Confident89.9Confident88 Ų8882 Ų8241%0.41142%0.424SS..Hα-helixtrans-60.4-48173.8-71.7174.1178.800111.1K203 K204 M209 M210 H211K203-E207 PolarHBondContact O-N 3.1Å; K203-E207 VanDerWaalsContact O-N 3.1Å; K204-E207 IonicContact NZ-OE2 2.75Å; K204-E207 PolarHBondContact NZ-OE2 3.38Å; K204-E207 VanDerWaalsContact NZ-OE2 3.11Å; K204-E207 PolarHBondContact O-N 3.33Å; E207-M209 PolarHBondContact O-N 3.01Å; E207-M210 PolarHBondContact O-N 3.46Å; E207-H211 PolarHBondContact O-CD2 2.94Å
208I88.9Confident90Very high93 Ų9384.3 Ų84.348%0.47744%0.443SS..Hα-helixtrans-64.2-40.8178.8-67.6165.9000111.4K204 L205 M210 H211 V212K204-I208 VanDerWaalsContact O-CG1 3.28Å; K204-I208 WeakPolarHBondContact O-CG1 3.24Å; K204-I208 PolarHBondContact O-N 2.04Å; L205-I208 PolarHBondContact O-N 3.25Å; I208-M210 VanDerWaalsContact C-N 3.25Å; I208-M210 PolarHBondContact O-N 3.37Å; I208-H211 WeakPolarHBondContact O-CB 3.49Å; I208-H211 PolarHBondContact O-N 2.94Å; I208-V212 HydrophobicContact CG2-CG2 4.24Å; I208-V212 WeakPolarHBondContact O-CG2 3.31Å; I208-V212 PolarHBondContact O-N 3.25Å
209M86.4Confident90.2Very high107 Ų10784.5 Ų84.553%0.52744%0.443SS..Hα-helixtrans-58.9-37.6-179.6-176.1177.764.600111.7L205 Q206 E207 H211 V212 I213L205-M209 VanDerWaalsContact O-CB 3.24Å; L205-M209 WeakPolarHBondContact O-CB 3.34Å; L205-M209 PolarHBondContact O-N 3.28Å; Q206-M209 PolarHBondContact O-N 3.21Å; E207-M209 PolarHBondContact O-N 3.01Å; M209-H211 PolarHBondContact O-N 3.38Å; M209-V212 PolarHBondContact O-N 2.92Å; M209-I213 HydrophobicContact CG-CD1 4.16Å; M209-I213 WeakPolarHBondContact O-CG1 3.47Å; M209-I213 PolarHBondContact O-N 2.77Å
210M87.4Confident90.5Very high96 Ų9681.9 Ų81.947%0.47342%0.421SS..Hα-helixtrans-61.4-43.5174.3-71.6-60.2-60.300111.8Q206 E207 I208 V212 I213 W214Q206-M210 PolarHBondContact O-N 2.61Å; E207-M210 PolarHBondContact O-N 3.46Å; I208-M210 VanDerWaalsContact C-N 3.25Å; I208-M210 PolarHBondContact O-N 3.37Å; M210-V212 VanDerWaalsContact C-N 3.34Å; M210-V212 PolarHBondContact O-N 2.98Å; M210-I213 PolarHBondContact O-N 3.02Å; M210-W214 PolarHBondContact O-N 3.23Å; M210-W214 VanDerWaalsContact O-N 3.12Å
211H90.1Very high90.7Very high136 Ų13683 Ų8363%0.6344%0.436SS*.Hα-helixtrans-63.4-39.5175.8-65.8-65.4000112.4E207 I208 M209 W214 A215E207-H211 PolarHBondContact O-CD2 2.94Å; I208-H211 WeakPolarHBondContact O-CB 3.49Å; I208-H211 PolarHBondContact O-N 2.94Å; M209-H211 PolarHBondContact O-N 3.38Å; H211-W214 PolarHBondContact O-N 2.97Å; H211-A215 WeakPolarHBondContact O-CB 3.41Å; H211-A215 PolarHBondContact O-N 3.2Å
212V89.7Confident91Very high89 Ų8983.8 Ų83.854%0.53944%0.438SS..Hα-helixtrans-62.9-42.9176.3174.90000111.4I208 M209 M210 A215 A216I208-V212 HydrophobicContact CG2-CG2 4.24Å; I208-V212 WeakPolarHBondContact O-CG2 3.31Å; I208-V212 PolarHBondContact O-N 3.25Å; M209-V212 PolarHBondContact O-N 2.92Å; M210-V212 VanDerWaalsContact C-N 3.34Å; M210-V212 PolarHBondContact O-N 2.98Å; V212-A215 PolarHBondContact O-N 2.98Å; V212-A216 PolarHBondContact O-N 3.39Å
213I90.1Very high91.5Very high76 Ų7680.8 Ų80.839%0.3942%0.42SS..Hα-helixtrans-61.8-45.6177.3-68.6165.2000110.9M209 M210 A215 A216 L217M209-I213 HydrophobicContact CG-CD1 4.16Å; M209-I213 WeakPolarHBondContact O-CG1 3.47Å; M209-I213 PolarHBondContact O-N 2.77Å; M210-I213 PolarHBondContact O-N 3.02Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.5Å; I213-A216 PolarHBondContact O-N 3.14Å; I213-L217 HydrophobicContact CG2-CD1 4.12Å; I213-L217 HydrophobicContact CG2-CG 4.49Å; I213-L217 WeakPolarHBondContact O-CG 3.36Å; I213-L217 PolarHBondContact O-N 3.08Å
214W93Very high91.8Very high168 Ų16879.1 Ų79.164%0.63642%0.416SS*.Hα-helixtrans-62.1-40.1177-76.8116.3000112.5M210 H211 L217 A218M210-W214 PolarHBondContact O-N 3.23Å; M210-W214 VanDerWaalsContact O-N 3.12Å; H211-W214 PolarHBondContact O-N 2.97Å; W214-L217 HydrophobicContact CE3-CD1 4.47Å; W214-A218 WeakPolarHBondContact O-CB 3.22Å; W214-A218 PolarHBondContact O-N 2.55Å
215A92.3Very high92.2Very high64 Ų6478 Ų7853%0.52942%0.415SS..Hα-helixtrans-64.3-43176.500000112.1H211 V212 I213 A218 F219H211-A215 WeakPolarHBondContact O-CB 3.41Å; H211-A215 PolarHBondContact O-N 3.2Å; V212-A215 PolarHBondContact O-N 2.98Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.5Å; A215-A218 PolarHBondContact O-N 2.86Å; A215-F219 WeakPolarHBondContact O-CB 3.23Å; A215-F219 PolarHBondContact O-N 3.26Å
216A93Very high92.7Very high26 Ų2674 Ų7422%0.21539%0.394CS..Hα-helixtrans-60.3-53.1175.200000111.1V212 I213 A218 F219 A220V212-A216 PolarHBondContact O-N 3.39Å; I213-A216 PolarHBondContact O-N 3.14Å; A216-A218 VanDerWaalsContact C-N 3.27Å; A216-A218 PolarHBondContact O-N 2.97Å; A216-F219 CarbonylContact O-C 3.03Å; A216-F219 WeakPolarHBondContact O-CA 3.5Å; A216-F219 WeakPolarHBondContact O-CB 3.48Å; A216-F219 PolarHBondContact O-N 3.19Å; A216-A220 PolarHBondContact O-N 3.26Å
217L94.6Very high93.1Very high101 Ų10169.7 Ų69.753%0.52938%0.375SS..Hα-helixtrans-56.3-39.3178.5-69.9175.2000113.2I213 W214 A221I213-L217 HydrophobicContact CG2-CD1 4.12Å; I213-L217 HydrophobicContact CG2-CG 4.49Å; I213-L217 WeakPolarHBondContact O-CG 3.36Å; I213-L217 PolarHBondContact O-N 3.08Å; W214-L217 HydrophobicContact CE3-CD1 4.47Å; L217-A221 WeakPolarHBondContact O-CB 2.99Å; L217-A221 PolarHBondContact O-N 3.17Å
218A94.8Very high93.5Very high51 Ų5170.6 Ų70.642%0.42138%0.382SS..Hα-helixtrans-65.3-42.117500000112W214 A215 A216 A221 I222W214-A218 WeakPolarHBondContact O-CB 3.22Å; W214-A218 PolarHBondContact O-N 2.55Å; A215-A218 PolarHBondContact O-N 2.86Å; A216-A218 VanDerWaalsContact C-N 3.27Å; A216-A218 PolarHBondContact O-N 2.97Å; A218-A221 PolarHBondContact O-N 3.48Å; A218-I222 WeakPolarHBondContact O-CG1 3.02Å; A218-I222 PolarHBondContact O-N 3.42Å
219F94.7Very high93.8Very high62 Ų6266.5 Ų66.527%0.27236%0.361SS..Hα-helixtrans-64-46.7176.7-170.1-118.4000111.8F20 L64 V93 E97 A215 A216 A221 I222 Q223F20-F219 HydrophobicContact CE1-CD2 4.45Å; F20-F219 AromaticContact CE1-CE2 3.89Å; F20-F219 HydrophobicContact CE1-CE2 3.89Å; L64-F219 HydrophobicContact CD2-CE2 4.05Å; L64-F219 HydrophobicContact CD2-CZ 4.02Å; V93-F219 HydrophobicContact CG1-CE1 3.79Å; V93-F219 HydrophobicContact CG1-CZ 4.12Å; E97-F219 WeakPolarHBondContact OE2-CD1 3.47Å; A215-F219 WeakPolarHBondContact O-CB 3.23Å; A215-F219 PolarHBondContact O-N 3.26Å; A216-F219 CarbonylContact O-C 3.03Å; A216-F219 WeakPolarHBondContact O-CA 3.5Å; A216-F219 WeakPolarHBondContact O-CB 3.48Å; A216-F219 PolarHBondContact O-N 3.19Å; F219-A221 VanDerWaalsContact C-N 3.35Å; F219-A221 PolarHBondContact O-N 3.25Å; F219-I222 PolarHBondContact O-N 3.48Å; F219-Q223 WeakPolarHBondContact O-CG 3.38Å; F219-Q223 PolarHBondContact O-N 3.16Å
220A96.4Very high94.2Very high12 Ų1261.4 Ų61.410%0.09934%0.336CS..Hα-helixtrans-56.5-44.8172.400000112.5F94 E97 A216 I222 Q223 L224F94-A220 HydrophobicContact CD2-CB 4.34Å; F94-A220 HydrophobicContact CE2-CB 4.05Å; E97-A220 WeakPolarHBondContact OE1-CB 3.46Å; E97-A220 PolarHBondContact OE2-N 2.89Å; A216-A220 PolarHBondContact O-N 3.26Å; A220-I222 PolarHBondContact O-N 2.97Å; A220-Q223 PolarHBondContact O-N 2.03Å; A220-L224 WeakPolarHBondContact O-CB 2.98Å; A220-L224 VanDerWaalsContact O-CG 3.31Å; A220-L224 WeakPolarHBondContact O-CG 3.42Å; A220-L224 PolarHBondContact O-N 2.85Å
221A96.5Very high94.5Very high57 Ų5759.3 Ų59.347%0.47133%0.33SS..Hα-helixtrans-62.8-41.8177.800000112.2L217 A218 F219 L224 L225L217-A221 WeakPolarHBondContact O-CB 2.99Å; L217-A221 PolarHBondContact O-N 3.17Å; A218-A221 PolarHBondContact O-N 3.48Å; F219-A221 VanDerWaalsContact C-N 3.35Å; F219-A221 PolarHBondContact O-N 3.25Å; A221-L224 PolarHBondContact O-N 3.17Å; A221-L225 WeakPolarHBondContact O-CB 3.37Å; A221-L225 PolarHBondContact O-N 3.37Å
222I96.1Very high94.7Very high46 Ų4655.4 Ų55.424%0.23631%0.313CS..Hα-helixtrans-62-44.3175.3-73.7166000111L16 F20 A218 F219 A220 L225 G226L16-I222 HydrophobicContact CD2-CG2 4.06Å; F20-I222 HydrophobicContact CE1-CG2 3.77Å; F20-I222 HydrophobicContact CZ-CG2 3.81Å; A218-I222 WeakPolarHBondContact O-CG1 3.02Å; A218-I222 PolarHBondContact O-N 3.42Å; F219-I222 PolarHBondContact O-N 3.48Å; A220-I222 PolarHBondContact O-N 2.97Å; I222-L225 PolarHBondContact O-N 2.98Å; I222-G226 PolarHBondContact O-N 2.85Å
223Q96.4Very high94.8Very high1 Ų151.4 Ų51.41%0.00529%0.289CS..Hα-helixtrans-63.6-46.3177.1-68.7169.7-3.100112.1L90 F94 E97 F219 A220 L225 G226 M227L90-Q223 HydrophobicContact CD2-CG 4.44Å; F94-Q223 VanDerWaalsContact CB-OE1 3.26Å; E97-Q223 PolarHBondContact OE2-OE1 3.1Å; F219-Q223 WeakPolarHBondContact O-CG 3.38Å; F219-Q223 PolarHBondContact O-N 3.16Å; A220-Q223 PolarHBondContact O-N 2.03Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; Q223-L225 PolarHBondContact O-N 2.76Å; Q223-G226 PolarHBondContact O-N 3.49Å; Q223-M227 HydrophobicContact CB-CE 4.35Å; Q223-M227 WeakPolarHBondContact O-CB 3.29Å; Q223-M227 WeakPolarHBondContact O-CG 3.26Å; Q223-M227 PolarHBondContact O-N 3.3Å
224L97Very high94.8Very high89 Ų8949.4 Ų49.447%0.46628%0.279SS..Hα-helixtrans-61-42.6177.8-72.6169.2000111.5F94 A220 A221 M227 L228F94-L224 HydrophobicContact CD2-CG 4.49Å; F94-L224 HydrophobicContact CE2-CD1 4.14Å; F94-L224 HydrophobicContact CE2-CD2 4.22Å; F94-L224 HydrophobicContact CE2-CG 4.1Å; F94-L224 HydrophobicContact CZ-CD2 4.31Å; A220-L224 WeakPolarHBondContact O-CB 2.98Å; A220-L224 VanDerWaalsContact O-CG 3.31Å; A220-L224 WeakPolarHBondContact O-CG 3.42Å; A220-L224 PolarHBondContact O-N 2.85Å; A221-L224 PolarHBondContact O-N 3.17Å; L224-M227 HydrophobicContact CD2-CE 3.82Å; L224-M227 HydrophobicContact CG-CE 4.34Å; L224-M227 PolarHBondContact O-N 2.83Å; L224-L228 VanDerWaalsContact O-CB 3.32Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 PolarHBondContact O-N 3.49Å
225L96.6Very high94.7Very high76 Ų7645.5 Ų45.540%0.39828%0.277SS..Hα-helixtrans-63-44.7173.9-17961.8000111.5V12 L16 A221 I222 Q223 L228 C229V12-L225 HydrophobicContact CG1-CD2 4.2Å; V12-L225 HydrophobicContact CG1-CG 4.29Å; L16-L225 HydrophobicContact CD1-CB 4.38Å; L16-L225 HydrophobicContact CD1-CD2 4.18Å; L16-L225 HydrophobicContact CD1-CG 4.09Å; L16-L225 HydrophobicContact CD2-CD2 4.46Å; A221-L225 WeakPolarHBondContact O-CB 3.37Å; A221-L225 PolarHBondContact O-N 3.37Å; I222-L225 PolarHBondContact O-N 2.98Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; Q223-L225 PolarHBondContact O-N 2.76Å; L225-L228 PolarHBondContact O-N 2.81Å; L225-C229 WeakPolarHBondContact O-CB 3.35Å; L225-C229 PolarHBondContact O-N 3.04Å; L225-C229 PolarHBondContact O-SG 3.09Å; L225-C229 VanDerWaalsContact O-SG 3.38Å
226G96.5Very high94.4Very high3 Ų346.9 Ų46.93%0.03127%0.268CS..Hα-helixtrans-59-46.8175.700000112.5L13 I222 Q223 C229 A230L13-G226 WeakPolarHBondContact CD2-O 3.31Å; I222-G226 PolarHBondContact O-N 2.85Å; Q223-G226 PolarHBondContact O-N 3.49Å; G226-C229 PolarHBondContact O-N 3.22Å; G226-A230 VanDerWaalsContact O-CB 3.27Å; G226-A230 WeakPolarHBondContact O-CB 3.18Å; G226-A230 PolarHBondContact O-N 3.38Å
227M96.8Very high94Very high23 Ų2349.2 Ų49.211%0.11327%0.271CS..Hα-helixtrans-62.2-47175.7-73.5-173.2-76.500111.5V87 L90 L91 F94 Q223 L224 C229 A230 C231V87-M227 HydrophobicContact CG1-CG 4.48Å; L90-M227 HydrophobicContact CB-CG 3.67Å; L90-M227 HydrophobicContact CB-SD 4.12Å; L90-M227 HydrophobicContact CD1-CG 3.93Å; L90-M227 HydrophobicContact CG-CG 4.49Å; L91-M227 HydrophobicContact CB-SD 4.05Å; L91-M227 HydrophobicContact CD1-SD 4.38Å; F94-M227 HydrophobicContact CB-CE 4.31Å; F94-M227 HydrophobicContact CG-CE 4.41Å; Q223-M227 HydrophobicContact CB-CE 4.35Å; Q223-M227 WeakPolarHBondContact O-CB 3.29Å; Q223-M227 WeakPolarHBondContact O-CG 3.26Å; Q223-M227 PolarHBondContact O-N 3.3Å; L224-M227 HydrophobicContact CD2-CE 3.82Å; L224-M227 HydrophobicContact CG-CE 4.34Å; L224-M227 PolarHBondContact O-N 2.83Å; M227-C229 PolarHBondContact O-N 2.65Å; M227-A230 PolarHBondContact O-N 2.94Å; M227-C231 VanDerWaalsContact O-CB 3.28Å; M227-C231 WeakPolarHBondContact O-CB 3.42Å; M227-C231 PolarHBondContact O-N 3.18Å; M227-C231 PolarHBondContact O-SG 3.17Å
228L96.1Very high93.3Very high106 Ų10647.1 Ų47.156%0.55527%0.265SS*.Hα-helixtrans-57.5-50.6177.2-174.691.9000111.1L224 L225 C231 I232L224-L228 VanDerWaalsContact O-CB 3.32Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 PolarHBondContact O-N 3.49Å; L225-L228 PolarHBondContact O-N 2.81Å; L228-C231 PolarHBondContact O-N 3.23Å; L228-I232 HydrophobicContact CD2-CD1 4.26Å; L228-I232 HydrophobicContact CG-CD1 4.06Å; L228-I232 VanDerWaalsContact O-CG1 3.26Å; L228-I232 WeakPolarHBondContact O-CG1 3.5Å; L228-I232 PolarHBondContact O-N 3.44Å
229C95.4Very high92.6Very high8 Ų854.5 Ų54.55%0.05428%0.282CS..Hα-helixtrans-63.3-43.2-179.9-72.40000112L13 L225 G226 M227 I232 V233L13-C229 HydrophobicContact CD1-CB 4.27Å; L13-C229 HydrophobicContact CD2-CB 3.94Å; L13-C229 HydrophobicContact CG-CB 3.79Å; L225-C229 WeakPolarHBondContact O-CB 3.35Å; L225-C229 PolarHBondContact O-N 3.04Å; L225-C229 PolarHBondContact O-SG 3.09Å; L225-C229 VanDerWaalsContact O-SG 3.38Å; G226-C229 PolarHBondContact O-N 3.22Å; M227-C229 PolarHBondContact O-N 2.65Å; C229-I232 PolarHBondContact O-N 2.92Å; C229-V233 WeakPolarHBondContact O-CG2 3.46Å; C229-V233 PolarHBondContact O-N 3.47Å; C229-V233 VanDerWaalsContact O-N 3.08Å
230A95.2Very high91.8Very high0 Ų055.2 Ų55.20%029%0.289CS..Hα-helixtrans-64.4-42.8177.300000111.8L13 F86 V87 G226 M227 V233 L234L13-A230 HydrophobicContact CD1-CB 4.33Å; L13-A230 HydrophobicContact CD2-CB 4.11Å; F86-A230 HydrophobicContact CD1-CB 4.34Å; V87-A230 HydrophobicContact CG2-CB 3.44Å; V87-A230 VanDerWaalsContact CG2-CB 3.44Å; G226-A230 VanDerWaalsContact O-CB 3.27Å; G226-A230 WeakPolarHBondContact O-CB 3.18Å; G226-A230 PolarHBondContact O-N 3.38Å; M227-A230 PolarHBondContact O-N 2.94Å; A230-V233 PolarHBondContact O-N 3.46Å; A230-L234 WeakPolarHBondContact O-CB 3.32Å; A230-L234 WeakPolarHBondContact O-CG 3.33Å; A230-L234 PolarHBondContact O-N 3.4Å
231C94.2Very high90.3Very high52 Ų5259 Ų5935%0.35131%0.313SS..Hα-helixtrans-61.7-42.3174-73.70000111.9M227 L228 V233 L234 C235M227-C231 VanDerWaalsContact O-CB 3.28Å; M227-C231 WeakPolarHBondContact O-CB 3.42Å; M227-C231 PolarHBondContact O-N 3.18Å; M227-C231 PolarHBondContact O-SG 3.17Å; L228-C231 PolarHBondContact O-N 3.23Å; C231-V233 VanDerWaalsContact C-N 3.31Å; C231-V233 PolarHBondContact O-N 3.26Å; C231-L234 PolarHBondContact O-N 3.03Å; C231-C235 VanDerWaalsContact O-CB 3.31Å; C231-C235 WeakPolarHBondContact O-CB 3.48Å; C231-C235 PolarHBondContact O-N 2.92Å; C231-C235 PolarHBondContact O-SG 3.37Å
232I92.8Very high88.9Confident53 Ų5359.8 Ų59.827%0.27232%0.319SS..Hα-helixtrans-58.8-43.9175.1-71.4164.3000111L228 C229 R236L228-I232 HydrophobicContact CD2-CD1 4.26Å; L228-I232 HydrophobicContact CG-CD1 4.06Å; L228-I232 VanDerWaalsContact O-CG1 3.26Å; L228-I232 WeakPolarHBondContact O-CG1 3.5Å; L228-I232 PolarHBondContact O-N 3.44Å; C229-I232 PolarHBondContact O-N 2.92Å; I232-R236 VanDerWaalsContact O-CB 3.32Å; I232-R236 WeakPolarHBondContact O-CB 3.46Å; I232-R236 WeakPolarHBondContact O-CG 3.47Å; I232-R236 PolarHBondContact O-N 3.33Å
233V92.2Very high87.1Confident5 Ų559.1 Ų59.13%0.0331%0.314CS..Hα-helixtrans-65.6-44.8177.6175.20000110.9K10 L13 L83 C229 A230 C231 R237K10-V233 HydrophobicContact CG-CG2 4.14Å; L13-V233 HydrophobicContact CD1-CG2 4.2Å; L83-V233 HydrophobicContact CD1-CB 4.39Å; L83-V233 HydrophobicContact CD1-CG1 3.67Å; C229-V233 WeakPolarHBondContact O-CG2 3.46Å; C229-V233 PolarHBondContact O-N 3.47Å; C229-V233 VanDerWaalsContact O-N 3.08Å; A230-V233 PolarHBondContact O-N 3.46Å; C231-V233 VanDerWaalsContact C-N 3.31Å; C231-V233 PolarHBondContact O-N 3.26Å; V233-R237 WeakPolarHBondContact O-CB 3.49Å; V233-R237 PolarHBondContact O-N 3.45Å
234L91.6Very high85.4Confident34 Ų3464.1 Ų64.118%0.17834%0.337CS..Hα-helixtrans-62.1-50.6177.7-77171.8000112.4R80 L83 V87 A230 C231 R237 S238R80-L234 HydrophobicContact CB-CD2 4.41Å; L83-L234 HydrophobicContact CB-CD1 4.11Å; L83-L234 HydrophobicContact CB-CD2 3.64Å; L83-L234 HydrophobicContact CB-CG 3.85Å; L83-L234 HydrophobicContact CD1-CD2 4.24Å; L83-L234 HydrophobicContact CD1-CG 4.42Å; V87-L234 HydrophobicContact CG2-CD1 4.32Å; A230-L234 WeakPolarHBondContact O-CB 3.32Å; A230-L234 WeakPolarHBondContact O-CG 3.33Å; A230-L234 PolarHBondContact O-N 3.4Å; C231-L234 PolarHBondContact O-N 3.03Å; L234-R237 PolarHBondContact O-N 3.35Å; L234-S238 WeakPolarHBondContact O-CB 3.34Å; L234-S238 PolarHBondContact O-N 3.29Å
235C89.9Confident83.8Confident87 Ų8766 Ų6659%0.58835%0.346SS*.Hα-helixtrans-64.7-43.8-178.7-68.30000111.9C231 S238 R239C231-C235 VanDerWaalsContact O-CB 3.31Å; C231-C235 WeakPolarHBondContact O-CB 3.48Å; C231-C235 PolarHBondContact O-N 2.92Å; C231-C235 PolarHBondContact O-SG 3.37Å; C235-S238 CarbonylContact O-C 3.37Å; C235-S238 PolarHBondContact O-N 2.67Å; C235-R239 PolarHBondContact O-N 3.11Å
236R86.8Confident82.3Confident92 Ų9268.9 Ų68.935%0.34736%0.362SS..Hα-helixtrans-67.1-40.9178-75.5-173.9176.9147.51.4111.8G5 I6 I232 S238 R239 D240G5-R236 VanDerWaalsContact CA-NH1 3.26Å; G5-R236 PolarHBondContact O-NH1 3.4Å; I6-R236 HydrophobicContact CD1-CB 3.91Å; I6-R236 HydrophobicContact CG1-CB 4.06Å; I6-R236 HydrophobicContact CG1-CG 4.39Å; I232-R236 VanDerWaalsContact O-CB 3.32Å; I232-R236 WeakPolarHBondContact O-CB 3.46Å; I232-R236 WeakPolarHBondContact O-CG 3.47Å; I232-R236 PolarHBondContact O-N 3.33Å; R236-S238 VanDerWaalsContact C-N 3.28Å; R236-S238 PolarHBondContact O-N 3.01Å; R236-R239 WeakPolarHBondContact O-CA 3.41Å; R236-R239 WeakPolarHBondContact O-CB 2.98Å; R236-R239 PolarHBondContact O-N 3.49Å; R236-D240 PolarHBondContact O-N 3.32Å
237R82.9Confident80.6Confident75 Ų7573.6 Ų73.628%0.28339%0.385SS..Hα-helixtrans-66-35.9175.7-169.4177.5-179.2-168.114.8111.5E78 R80 V233 L234 R239 D240 Y243E78-R237 VanDerWaalsContact C-NH1 3.28Å; E78-R237 PolarHBondContact O-NH1 3.18Å; E78-R237 PolarHBondContact O-NH2 2.97Å; R80-R237 PolarHBondContact NH2-O 3.09Å; V233-R237 WeakPolarHBondContact O-CB 3.49Å; V233-R237 PolarHBondContact O-N 3.45Å; L234-R237 PolarHBondContact O-N 3.35Å; R237-R239 PolarHBondContact O-N 3.09Å; R237-R239 VanDerWaalsContact O-N 3.1Å; R237-D240 PolarHBondContact O-N 3.2Å; R237-Y243 WeakPolarHBondContact O-CD1 3.06Å
238S80.3Confident79.1Confident57 Ų5775.9 Ų75.940%0.39940%0.4SS..THydrogen-bonded Turntrans-71.718.4168.1-164.40000113.2L234 C235 R236 Y243L234-S238 WeakPolarHBondContact O-CB 3.34Å; L234-S238 PolarHBondContact O-N 3.29Å; C235-S238 CarbonylContact O-C 3.37Å; C235-S238 PolarHBondContact O-N 2.67Å; R236-S238 VanDerWaalsContact C-N 3.28Å; R236-S238 PolarHBondContact O-N 3.01Å; S238-Y243 VanDerWaalsContact O-CE1 3.26Å; S238-Y243 WeakPolarHBondContact O-CE1 3.38Å; S238-Y243 PolarHBondContact O-OH 3.38Å
239R80.7Confident77.4Confident207 Ų20772.8 Ų72.878%0.78140%0.395SS*.THydrogen-bonded Turntrans-128.3-2.4167-167.7171.9174.8173.70.5113.5C235 R236 R237C235-R239 PolarHBondContact O-N 3.11Å; R236-R239 WeakPolarHBondContact O-CA 3.41Å; R236-R239 WeakPolarHBondContact O-CB 2.98Å; R236-R239 PolarHBondContact O-N 3.49Å; R237-R239 PolarHBondContact O-N 3.09Å; R237-R239 VanDerWaalsContact O-N 3.1Å
240D77.1Confident75.5Confident77 Ų7774.9 Ų74.941%0.41242%0.417SS..SBendtrans-68.4120170.2-70.8-34.4000113.8R236 R237 A242 Y243R236-D240 PolarHBondContact O-N 3.32Å; R237-D240 PolarHBondContact O-N 3.2Å; D240-A242 PolarHBondContact O-N 2.95Å; D240-Y243 HydrophobicContact CB-CD1 4.16Å; D240-Y243 WeakPolarHBondContact O-CD1 3.42Å; D240-Y243 WeakPolarHBondContact O-CE1 3.3Å; D240-Y243 PolarHBondContact O-N 3.34Å
241P65.5Low73.6Confident92 Ų9279.8 Ų79.860%0.59745%0.447SS*.Hα-helixtrans-55-25.5-17420.8-33.2000115.4Y243 E244 L245P241-Y243 VanDerWaalsContact C-N 3.27Å; P241-Y243 PolarHBondContact O-N 3.15Å; P241-E244 PolarHBondContact O-N 2.87Å; P241-L245 PolarHBondContact O-N 3.33Å; P241-L245 VanDerWaalsContact O-N 3.13Å
242A66.5Low71.6Confident72 Ų7287.1 Ų87.160%0.59547%0.469SS*.Hα-helixtrans-59.6-31.3173.700000113.9D240 L246D240-A242 PolarHBondContact O-N 2.95Å; A242-L246 PolarHBondContact O-N 2.69Å
243Y58.2Low69.4Low33 Ų3391.6 Ų91.613%0.12951%0.514CS..Hα-helixtrans-81.2-32.5174.186.4-93.1000112.3R237 S238 D240 P241 L245 L246 I247R237-Y243 WeakPolarHBondContact O-CD1 3.06Å; S238-Y243 VanDerWaalsContact O-CE1 3.26Å; S238-Y243 WeakPolarHBondContact O-CE1 3.38Å; S238-Y243 PolarHBondContact O-OH 3.38Å; D240-Y243 HydrophobicContact CB-CD1 4.16Å; D240-Y243 WeakPolarHBondContact O-CD1 3.42Å; D240-Y243 WeakPolarHBondContact O-CE1 3.3Å; D240-Y243 PolarHBondContact O-N 3.34Å; P241-Y243 VanDerWaalsContact C-N 3.27Å; P241-Y243 PolarHBondContact O-N 3.15Å; Y243-L245 PolarHBondContact O-N 3.33Å; Y243-L246 PolarHBondContact O-N 3.23Å; Y243-L246 VanDerWaalsContact O-N 3.14Å; Y243-I247 HydrophobicContact CD2-CD1 3.69Å; Y243-I247 HydrophobicContact CD2-CG1 4.35Å; Y243-I247 HydrophobicContact CE2-CD1 4.12Å; Y243-I247 WeakPolarHBondContact O-CG1 3.42Å; Y243-I247 PolarHBondContact O-N 3.26Å
244E60.7Low68.2Low105 Ų10596 Ų9649%0.49154%0.538SS..Hα-helixtrans-60.5-40.4176.4-68.7-161.2151.900109.4P241 L246 I247 T248P241-E244 PolarHBondContact O-N 2.87Å; E244-L246 PolarHBondContact O-N 3.29Å; E244-I247 PolarHBondContact O-N 3.45Å; E244-T248 VanDerWaalsContact O-CB 3.31Å; E244-T248 WeakPolarHBondContact O-CB 3.34Å; E244-T248 WeakPolarHBondContact O-CG2 3.38Å; E244-T248 PolarHBondContact O-N 2.85Å; E244-T248 PolarHBondContact O-OG1 2.92Å
245L63.7Low67Low128 Ų12899.2 Ų99.267%0.6756%0.557SS**Hα-helixtrans-62.9-34.4174.5-111.4142.8000113.8P241 Y243 T248 G249P241-L245 PolarHBondContact O-N 3.33Å; P241-L245 VanDerWaalsContact O-N 3.13Å; Y243-L245 PolarHBondContact O-N 3.33Å; L245-T248 WeakPolarHBondContact CA-OG1 3.44Å; L245-G249 VanDerWaalsContact O-CA 3.3Å; L245-G249 WeakPolarHBondContact O-CA 3.38Å; L245-G249 PolarHBondContact O-N 3.42Å
246L64.3Low65.7Low138 Ų13899.9 Ų99.972%0.72356%0.555SS**Hα-helixtrans-73.7-40.3174.8-85.3157.6000112.5A242 Y243 E244 G250A242-L246 PolarHBondContact O-N 2.69Å; Y243-L246 PolarHBondContact O-N 3.23Å; Y243-L246 VanDerWaalsContact O-N 3.14Å; E244-L246 PolarHBondContact O-N 3.29Å; L246-G250 PolarHBondContact O-N 3.48Å
247I61.9Low64.5Low102 Ų102100.4 Ų100.452%0.52357%0.568SS.*Hα-helixtrans-70.7-46177.7-63.9-179.6000110.5Y243 E244 G250 T251Y243-I247 HydrophobicContact CD2-CD1 3.69Å; Y243-I247 HydrophobicContact CD2-CG1 4.35Å; Y243-I247 HydrophobicContact CE2-CD1 4.12Å; Y243-I247 WeakPolarHBondContact O-CG1 3.42Å; Y243-I247 PolarHBondContact O-N 3.26Å; E244-I247 PolarHBondContact O-N 3.45Å; I247-G250 PolarHBondContact O-N 3.24Å; I247-T251 PolarHBondContact O-N 3.47Å; I247-T251 PolarHBondContact O-OG1 3.18Å
248T64.7Low63.3Low70 Ų70101.9 Ų101.943%0.42959%0.585SS.*Hα-helixtrans-70.5-39177.654.60000111.9E244 L245 G250 T251 Y252E244-T248 VanDerWaalsContact O-CB 3.31Å; E244-T248 WeakPolarHBondContact O-CB 3.34Å; E244-T248 WeakPolarHBondContact O-CG2 3.38Å; E244-T248 PolarHBondContact O-N 2.85Å; E244-T248 PolarHBondContact O-OG1 2.92Å; L245-T248 WeakPolarHBondContact CA-OG1 3.44Å; T248-G250 VanDerWaalsContact C-N 3.31Å; T248-G250 PolarHBondContact O-N 2.96Å; T248-T251 WeakPolarHBondContact CA-OG1 3.45Å; T248-T251 PolarHBondContact O-N 3.21Å; T248-T251 PolarHBondContact O-OG1 3.47Å; T248-Y252 WeakPolarHBondContact O-CD2 3.18Å
249G60.8Low62.2Low42 Ų42104.9 Ų104.943%0.43360%0.598SS.*Hα-helixtrans-64.8-32.1174.500000113.4L245 T251 Y252L245-G249 VanDerWaalsContact O-CA 3.3Å; L245-G249 WeakPolarHBondContact O-CA 3.38Å; L245-G249 PolarHBondContact O-N 3.42Å; G249-T251 VanDerWaalsContact C-N 3.33Å; G249-Y252 PolarHBondContact O-N 2.93Å
250G56.7Low60.9Low51 Ų5197.6 Ų97.653%0.52659%0.585SS.*Hα-helixtrans-75.1-16.1174.600000114.7L246 I247 T248L246-G250 PolarHBondContact O-N 3.48Å; I247-G250 PolarHBondContact O-N 3.24Å; T248-G250 VanDerWaalsContact C-N 3.31Å; T248-G250 PolarHBondContact O-N 2.96Å
251T55.3Low59.6Low103 Ų10399.2 Ų99.263%0.63260%0.598SS**THydrogen-bonded Turntrans-86.9-7.2173.840.60000114.2I247 T248 G249I247-T251 PolarHBondContact O-N 3.47Å; I247-T251 PolarHBondContact O-OG1 3.18Å; T248-T251 WeakPolarHBondContact CA-OG1 3.45Å; T248-T251 PolarHBondContact O-N 3.21Å; T248-T251 PolarHBondContact O-OG1 3.47Å; G249-T251 VanDerWaalsContact C-N 3.33Å
252Y51.9Low59.2Low207 Ų20799.8 Ų99.881%0.81260%0.598SS**  trans-106.712.2178.5-67.1-69.3000114.2T248 G249T248-Y252 WeakPolarHBondContact O-CD2 3.18Å; G249-Y252 PolarHBondContact O-N 2.93Å
253A45.2Very low58.5Low147 Ų147102.4 Ų102.4100%1.21560%0.598SS**  trans-121.20171.800000109.8

Retrieved 253 of 253 residues in 951.8 ms (Link to these results)

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