G4VIF5_SCHMA Loading...

Putative organic solute transporter

AlphaFold DB , UniProt , Accession G4VIF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 427 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
1M55.5Low80.5Confident217 Ų21781.1 Ų81.1100%1.06943%0.431SS*.  0-28.60-98.6173.717700114.8
2S70.7Confident81.1Confident80 Ų8080.1 Ų80.156%0.55943%0.43SS*.Hα-helixtrans-65.2-43.7-169.448.80000116.1R4 A5 F6S2-R4 VanDerWaalsContact C-N 3.34Å; S2-R4 PolarHBondContact O-N 3.32Å; S2-A5 PolarHBondContact O-N 2.73Å; S2-A5 VanDerWaalsContact O-N 3.14Å; S2-F6 WeakPolarHBondContact O-CD2 3.47Å; S2-F6 PolarHBondContact O-N 2.95Å
3W80.4Confident81.8Confident53 Ų5380.5 Ų80.520%0.20144%0.437CS..Hα-helixtrans-61-36.2-167.179.8-91.1000114.7A5 F6 I7 M64 C320W3-A5 VanDerWaalsContact C-N 3.3Å; W3-A5 PolarHBondContact O-N 3.2Å; W3-F6 PolarHBondContact O-N 3.39Å; W3-I7 HydrophobicContact CE3-CB 4.43Å; W3-I7 HydrophobicContact CE3-CD1 4.15Å; W3-I7 HydrophobicContact CE3-CG2 4.47Å; W3-I7 HydrophobicContact CZ3-CD1 3.84Å; W3-I7 HydrophobicContact CZ3-CG2 4.48Å; W3-I7 WeakPolarHBondContact O-CB 3.1Å; W3-I7 PolarHBondContact O-N 3.25Å; W3-M64 HydrophobicContact CH2-CG 4.18Å; W3-M64 HydrophobicContact CZ3-CE 4.13Å; W3-C320 HydrophobicContact CD2-CB 3.55Å; W3-C320 HydrophobicContact CE3-CB 3.84Å; W3-C320 VanDerWaalsContact CE3-SG 3.59Å; W3-C320 HydrophobicContact CG-CB 3.94Å; W3-C320 HydrophobicContact CH2-CB 4.27Å; W3-C320 HydrophobicContact CZ2-CB 4Å; W3-C320 HydrophobicContact CZ3-CB 4.19Å
4R77.7Confident82.3Confident67 Ų6780.1 Ų80.125%0.25344%0.441SS..Hα-helixtrans-63.3-34.8179.6-69-177.5179.7-173.1-3.8112.8S2 I65 T318S2-R4 VanDerWaalsContact C-N 3.34Å; S2-R4 PolarHBondContact O-N 3.32Å; R4-I65 HydrophobicContact CB-CG2 4Å; R4-I65 HydrophobicContact CG-CG2 3.99Å; R4-I65 PolarHBondContact NE-O 3.39Å; R4-I65 PolarHBondContact NH1-O 3.14Å; R4-I65 PolarHBondContact NH2-O 3.15Å; R4-T318 PolarHBondContact NH2-OG1 3.15Å
5A78.3Confident82.7Confident68 Ų6877.1 Ų77.156%0.56242%0.421SS*.Hα-helixtrans-76.1-34.4178.100000111.7S2 W3 P9S2-A5 PolarHBondContact O-N 2.73Å; S2-A5 VanDerWaalsContact O-N 3.14Å; W3-A5 VanDerWaalsContact C-N 3.3Å; W3-A5 PolarHBondContact O-N 3.2Å; A5-P9 WeakPolarHBondContact O-CD 3.43Å; A5-P9 WeakPolarHBondContact O-CG 3.46Å
6F84.5Confident83Confident131 Ų13175.9 Ų75.958%0.57542%0.42SS*.Hα-helixtrans-83-29.4-177.7-69.9-65.6000113.8S2 W3 K8 P9 V10S2-F6 WeakPolarHBondContact O-CD2 3.47Å; S2-F6 PolarHBondContact O-N 2.95Å; W3-F6 PolarHBondContact O-N 3.39Å; F6-K8 VanDerWaalsContact C-N 3.35Å; F6-K8 PolarHBondContact O-N 3.5Å; F6-P9 WeakPolarHBondContact O-CD 3.34Å; F6-V10 HydrophobicContact CB-CG2 4.47Å; F6-V10 VanDerWaalsContact O-CB 3.28Å; F6-V10 WeakPolarHBondContact O-CB 3.07Å; F6-V10 WeakPolarHBondContact O-CG2 3.45Å; F6-V10 PolarHBondContact O-N 3Å
7I85.7Confident83.4Confident37 Ų3777.4 Ų77.419%0.1943%0.427CS..Hα-helixtrans-63.2-38-171.5-165.5170.2000113.4W3 F11 I61 M64 I65W3-I7 HydrophobicContact CE3-CB 4.43Å; W3-I7 HydrophobicContact CE3-CD1 4.15Å; W3-I7 HydrophobicContact CE3-CG2 4.47Å; W3-I7 HydrophobicContact CZ3-CD1 3.84Å; W3-I7 HydrophobicContact CZ3-CG2 4.48Å; W3-I7 WeakPolarHBondContact O-CB 3.1Å; W3-I7 PolarHBondContact O-N 3.25Å; I7-F11 WeakPolarHBondContact O-CB 3.06Å; I7-F11 PolarHBondContact O-N 3.32Å; I7-I61 HydrophobicContact CD1-CG2 4.46Å; I7-I61 HydrophobicContact CG1-CG2 4.46Å; I7-I61 HydrophobicContact CG2-CG2 4.07Å; I7-M64 HydrophobicContact CD1-CE 3.22Å; I7-I65 HydrophobicContact CG2-CD1 3.52Å; I7-I65 HydrophobicContact CG2-CG1 3.72Å
8K87.5Confident83.6Confident55 Ų5577.8 Ų77.824%0.23943%0.427CS..Hα-helixtrans-67-53.4178-77.5-175.9169.7-162.30111.8F6 V10 F11 V12 W58 I61 E62 I65F6-K8 VanDerWaalsContact C-N 3.35Å; F6-K8 PolarHBondContact O-N 3.5Å; K8-V10 PolarHBondContact O-N 3.27Å; K8-F11 WeakPolarHBondContact O-CB 3.42Å; K8-F11 PolarHBondContact O-N 3.06Å; K8-V12 WeakPolarHBondContact O-CG2 3.28Å; K8-V12 PolarHBondContact O-N 3.45Å; K8-W58 HydrophobicContact CB-CH2 3.87Å; K8-W58 HydrophobicContact CB-CZ3 4.03Å; K8-W58 HydrophobicContact CD-CH2 3.67Å; K8-W58 HydrophobicContact CD-CZ2 3.78Å; K8-W58 HydrophobicContact CD-CZ3 4.38Å; K8-W58 HydrophobicContact CG-CH2 3.78Å; K8-W58 HydrophobicContact CG-CZ2 4.28Å; K8-W58 HydrophobicContact CG-CZ3 4Å; K8-I61 HydrophobicContact CG-CG2 4.21Å; K8-E62 IonicContact NZ-OE1 3.24Å; K8-E62 PolarHBondContact NZ-OE1 2.61Å; K8-I65 HydrophobicContact CD-CD1 4.08Å; K8-I65 HydrophobicContact CG-CD1 3.82Å
9P87.5Confident83.8Confident71 Ų7176.6 Ų76.646%0.46142%0.42SS..Hα-helixtrans-56.8-44.8172.9-25.932.2000113.6A5 F6 F11 V12 V13A5-P9 WeakPolarHBondContact O-CD 3.43Å; A5-P9 WeakPolarHBondContact O-CG 3.46Å; F6-P9 WeakPolarHBondContact O-CD 3.34Å; P9-F11 VanDerWaalsContact C-N 3.31Å; P9-F11 PolarHBondContact O-N 3.13Å; P9-V12 PolarHBondContact O-N 3.49Å; P9-V13 WeakPolarHBondContact O-CG2 3.39Å; P9-V13 PolarHBondContact O-N 3.09Å
10V88.4Confident84Confident80 Ų8077.2 Ų77.249%0.48543%0.428SS..Hα-helixtrans-60-44.8178.1168.80000110.4F6 K8 V13 C14F6-V10 HydrophobicContact CB-CG2 4.47Å; F6-V10 VanDerWaalsContact O-CB 3.28Å; F6-V10 WeakPolarHBondContact O-CB 3.07Å; F6-V10 WeakPolarHBondContact O-CG2 3.45Å; F6-V10 PolarHBondContact O-N 3Å; K8-V10 PolarHBondContact O-N 3.27Å; V10-V13 PolarHBondContact O-N 3.43Å; V10-C14 VanDerWaalsContact O-CB 3.29Å; V10-C14 WeakPolarHBondContact O-CB 3.18Å; V10-C14 PolarHBondContact O-N 3.38Å; V10-C14 PolarHBondContact O-SG 2.99Å
11F88.8Confident84.1Confident33 Ų3379.2 Ų79.215%0.14544%0.437CS..Hα-helixtrans-59.6-47.1175.9174.3-101.1000112.1I7 K8 P9 V13 C14 Y15 P54 L57 W58 I61I7-F11 WeakPolarHBondContact O-CB 3.06Å; I7-F11 PolarHBondContact O-N 3.32Å; K8-F11 WeakPolarHBondContact O-CB 3.42Å; K8-F11 PolarHBondContact O-N 3.06Å; P9-F11 VanDerWaalsContact C-N 3.31Å; P9-F11 PolarHBondContact O-N 3.13Å; F11-V13 PolarHBondContact O-N 3.32Å; F11-C14 PolarHBondContact O-N 2.83Å; F11-Y15 WeakPolarHBondContact O-CB 3.32Å; F11-Y15 PolarHBondContact O-N 3.26Å; F11-P54 HydrophobicContact CE1-CB 4.43Å; F11-P54 HydrophobicContact CZ-CB 4.03Å; F11-L57 HydrophobicContact CE2-CB 3.71Å; F11-L57 HydrophobicContact CE2-CD1 3.88Å; F11-L57 HydrophobicContact CE2-CG 4.48Å; F11-L57 HydrophobicContact CZ-CB 3.72Å; F11-L57 HydrophobicContact CZ-CD1 4.4Å; F11-W58 AromaticContact CD1-CE3 3.75Å; F11-W58 HydrophobicContact CD1-CE3 3.75Å; F11-W58 HydrophobicContact CD1-CZ3 4.16Å; F11-W58 HydrophobicContact CE1-CB 4.49Å; F11-W58 AromaticContact CE1-CE3 3.94Å; F11-W58 HydrophobicContact CE1-CE3 3.94Å; F11-I61 HydrophobicContact CB-CD1 3.88Å; F11-I61 HydrophobicContact CD1-CD1 4.06Å; F11-I61 HydrophobicContact CD2-CD1 3.52Å; F11-I61 HydrophobicContact CE2-CD1 4.04Å; F11-I61 HydrophobicContact CG-CD1 3.52Å; F11-I61 HydrophobicContact CZ-CD1 4.49Å
12V88.6Confident85.4Confident69 Ų6970.5 Ų70.542%0.41840%0.396SS..Hα-helixtrans-60-47.7177.2173.60000110.7K8 P9 Y15 S16 W58K8-V12 WeakPolarHBondContact O-CG2 3.28Å; K8-V12 PolarHBondContact O-N 3.45Å; P9-V12 PolarHBondContact O-N 3.49Å; V12-Y15 PolarHBondContact O-N 2.9Å; V12-S16 WeakPolarHBondContact O-CB 3.15Å; V12-S16 PolarHBondContact O-N 2.87Å; V12-S16 PolarHBondContact O-OG 3.22Å; V12-W58 HydrophobicContact CG2-CZ3 3.89Å
13V89.7Confident86.1Confident86 Ų8669.9 Ų69.952%0.52139%0.387SS..Hα-helixtrans-62.6-50.1179.3172.30000111.3P9 V10 F11 Y15 S16 L17P9-V13 WeakPolarHBondContact O-CG2 3.39Å; P9-V13 PolarHBondContact O-N 3.09Å; V10-V13 PolarHBondContact O-N 3.43Å; F11-V13 PolarHBondContact O-N 3.32Å; V13-Y15 VanDerWaalsContact C-N 3.27Å; V13-Y15 PolarHBondContact O-N 3.08Å; V13-S16 PolarHBondContact O-N 3.43Å; V13-L17 HydrophobicContact CG1-CD1 4.09Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CB 3.35Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 2.89Å
14C89Confident86.3Confident74 Ų7470.2 Ų70.250%0.540%0.395SS..Hα-helixtrans-58.6-41.4178.5-72.70000111.7V10 F11 L18V10-C14 VanDerWaalsContact O-CB 3.29Å; V10-C14 WeakPolarHBondContact O-CB 3.18Å; V10-C14 PolarHBondContact O-N 3.38Å; V10-C14 PolarHBondContact O-SG 2.99Å; F11-C14 PolarHBondContact O-N 2.83Å; C14-L18 WeakPolarHBondContact O-CB 3.28Å; C14-L18 PolarHBondContact O-N 3.11Å
15Y88.1Confident86.6Confident36 Ų3673.1 Ų73.114%0.14141%0.41CS..Hα-helixtrans-75.2-37.3-179.3-176-101.8000112.4F11 V12 V13 L17 L18 I19 L50 P54F11-Y15 WeakPolarHBondContact O-CB 3.32Å; F11-Y15 PolarHBondContact O-N 3.26Å; V12-Y15 PolarHBondContact O-N 2.9Å; V13-Y15 VanDerWaalsContact C-N 3.27Å; V13-Y15 PolarHBondContact O-N 3.08Å; Y15-L17 VanDerWaalsContact C-N 3.34Å; Y15-L17 PolarHBondContact O-N 2.79Å; Y15-L18 HydrophobicContact CD2-CD2 4.04Å; Y15-L18 HydrophobicContact CE2-CD2 4.13Å; Y15-L18 WeakPolarHBondContact O-CB 3.34Å; Y15-L18 PolarHBondContact O-N 2.63Å; Y15-I19 HydrophobicContact CD1-CD1 3.81Å; Y15-I19 HydrophobicContact CD1-CG1 4.43Å; Y15-I19 HydrophobicContact CE1-CD1 3.14Å; Y15-I19 HydrophobicContact CE1-CG1 3.82Å; Y15-I19 HydrophobicContact CE2-CG1 4.48Å; Y15-I19 PolarHBondContact O-N 2.97Å; Y15-L50 PolarHBondContact OH-O 3.42Å; Y15-P54 HydrophobicContact CD1-CB 3.92Å; Y15-P54 HydrophobicContact CD1-CG 4.42Å; Y15-P54 HydrophobicContact CD2-CB 4.03Å; Y15-P54 HydrophobicContact CE1-CB 3.65Å; Y15-P54 HydrophobicContact CE1-CG 3.66Å; Y15-P54 HydrophobicContact CE2-CB 3.79Å; Y15-P54 HydrophobicContact CE2-CG 3.83Å; Y15-P54 HydrophobicContact CG-CB 4.13Å
16S87.3Confident86.7Confident58 Ų5871.4 Ų71.441%0.40639%0.391SS..Hα-helixtrans-60.8-43.5170.5-66.30000111.5V12 V13 L18 I19 C20V12-S16 WeakPolarHBondContact O-CB 3.15Å; V12-S16 PolarHBondContact O-N 2.87Å; V12-S16 PolarHBondContact O-OG 3.22Å; V13-S16 PolarHBondContact O-N 3.43Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 2.84Å; S16-I19 PolarHBondContact O-N 3.47Å; S16-C20 WeakPolarHBondContact O-CB 3.43Å; S16-C20 PolarHBondContact O-N 3.42Å; S16-C20 PolarHBondContact O-SG 2.91Å
17L89.6Confident86.6Confident101 Ų10169 Ų6953%0.52938%0.383SS..Hα-helixtrans-61.7-42.4173.5-69.9173.8000111.5V13 Y15 I19 C20 I21V13-L17 HydrophobicContact CG1-CD1 4.09Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CB 3.35Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 2.89Å; Y15-L17 VanDerWaalsContact C-N 3.34Å; Y15-L17 PolarHBondContact O-N 2.79Å; L17-I19 PolarHBondContact O-N 2.84Å; L17-C20 PolarHBondContact O-N 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.39Å; L17-I21 PolarHBondContact O-N 3.4Å
18L87.4Confident86.4Confident84 Ų8472.5 Ų72.544%0.4440%0.402SS..Hα-helixtrans-58.1-47.4174.4-174.576.8000110.8C14 Y15 S16 I21 T22C14-L18 WeakPolarHBondContact O-CB 3.28Å; C14-L18 PolarHBondContact O-N 3.11Å; Y15-L18 HydrophobicContact CD2-CD2 4.04Å; Y15-L18 HydrophobicContact CE2-CD2 4.13Å; Y15-L18 WeakPolarHBondContact O-CB 3.34Å; Y15-L18 PolarHBondContact O-N 2.63Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 2.84Å; L18-I21 PolarHBondContact O-N 3.05Å; L18-T22 HydrophobicContact CD1-CG2 3.91Å; L18-T22 HydrophobicContact CG-CG2 3.97Å; L18-T22 VanDerWaalsContact O-CB 3.29Å; L18-T22 WeakPolarHBondContact O-CB 3.48Å; L18-T22 VanDerWaalsContact O-CG2 3.28Å; L18-T22 WeakPolarHBondContact O-CG2 3.19Å; L18-T22 PolarHBondContact O-N 2.73Å; L18-T22 PolarHBondContact O-OG1 3.25Å
19I87.2Confident85.9Confident55 Ų5574.2 Ų74.228%0.28241%0.41SS..Hα-helixtrans-60.8-47.4176.4-70167.2000110.6Y15 S16 L17 I21 T22 L23Y15-I19 HydrophobicContact CD1-CD1 3.81Å; Y15-I19 HydrophobicContact CD1-CG1 4.43Å; Y15-I19 HydrophobicContact CE1-CD1 3.14Å; Y15-I19 HydrophobicContact CE1-CG1 3.82Å; Y15-I19 HydrophobicContact CE2-CG1 4.48Å; Y15-I19 PolarHBondContact O-N 2.97Å; S16-I19 PolarHBondContact O-N 3.47Å; L17-I19 PolarHBondContact O-N 2.84Å; I19-I21 PolarHBondContact O-N 3.33Å; I19-I21 VanDerWaalsContact O-N 3.14Å; I19-T22 WeakPolarHBondContact CA-OG1 3.38Å; I19-T22 PolarHBondContact O-N 3.35Å; I19-T22 PolarHBondContact O-OG1 3.36Å; I19-L23 HydrophobicContact CG2-CB 4.25Å; I19-L23 HydrophobicContact CG2-CD1 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 PolarHBondContact O-N 2.81Å
20C87.7Confident85.3Confident88 Ų8873.5 Ų73.560%0.59540%0.402SS*.Hα-helixtrans-59.9-25179.8-71.70000113.2S16 L17 P24S16-C20 WeakPolarHBondContact O-CB 3.43Å; S16-C20 PolarHBondContact O-N 3.42Å; S16-C20 PolarHBondContact O-SG 2.91Å; L17-C20 PolarHBondContact O-N 3.28Å; C20-P24 WeakPolarHBondContact O-CD 3.14Å; C20-P24 WeakPolarHBondContact O-CG 3.48Å
21I86.9Confident84.7Confident120 Ų12079.7 Ų79.762%0.61542%0.418SS*.Hα-helixtrans-91.4-49176-64.5165.7000111.2L17 L18 I19 F25L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.39Å; L17-I21 PolarHBondContact O-N 3.4Å; L18-I21 PolarHBondContact O-N 3.05Å; I19-I21 PolarHBondContact O-N 3.33Å; I19-I21 VanDerWaalsContact O-N 3.14Å; I21-F25 WeakPolarHBondContact O-CB 3.35Å; I21-F25 PolarHBondContact O-N 3.25Å
22T82.7Confident84Confident34 Ų3484.6 Ų84.621%0.20944%0.441CS..Hα-helixtrans-69.5-40.2-173.753.20000112.5L18 I19 F25 L26L18-T22 HydrophobicContact CD1-CG2 3.91Å; L18-T22 HydrophobicContact CG-CG2 3.97Å; L18-T22 VanDerWaalsContact O-CB 3.29Å; L18-T22 WeakPolarHBondContact O-CB 3.48Å; L18-T22 VanDerWaalsContact O-CG2 3.28Å; L18-T22 WeakPolarHBondContact O-CG2 3.19Å; L18-T22 PolarHBondContact O-N 2.73Å; L18-T22 PolarHBondContact O-OG1 3.25Å; I19-T22 WeakPolarHBondContact CA-OG1 3.38Å; I19-T22 PolarHBondContact O-N 3.35Å; I19-T22 PolarHBondContact O-OG1 3.36Å; T22-F25 PolarHBondContact O-N 2.96Å; T22-L26 VanDerWaalsContact O-CB 3.3Å; T22-L26 WeakPolarHBondContact O-CB 3.49Å; T22-L26 WeakPolarHBondContact O-CD1 3.13Å; T22-L26 WeakPolarHBondContact O-CG 3.4Å; T22-L26 PolarHBondContact O-N 2.91Å
23L85.2Confident82.8Confident68 Ų6885.9 Ų85.936%0.35644%0.441SS..Hα-helixtrans-67.3-47-176.6-173.6143.3000112I19 F25 L26 I27I19-L23 HydrophobicContact CG2-CB 4.25Å; I19-L23 HydrophobicContact CG2-CD1 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 PolarHBondContact O-N 2.81Å; L23-F25 PolarHBondContact O-N 2.83Å; L23-L26 PolarHBondContact O-N 3.32Å; L23-I27 HydrophobicContact CD2-CD1 3.5Å; L23-I27 VanDerWaalsContact CD2-CD1 3.5Å; L23-I27 HydrophobicContact CG-CD1 4.18Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 3.34Å
24P85.4Confident81.1Confident59 Ų5987.6 Ų87.638%0.38346%0.457SS..Hα-helixtrans-61.2-40.9171.1-26.637.6000113C20 L26 I27 L28C20-P24 WeakPolarHBondContact O-CD 3.14Å; C20-P24 WeakPolarHBondContact O-CG 3.48Å; P24-L26 PolarHBondContact O-N 3.34Å; P24-I27 PolarHBondContact O-N 3.24Å; P24-L28 WeakPolarHBondContact O-CB 3.29Å; P24-L28 VanDerWaalsContact O-CG 3.28Å; P24-L28 WeakPolarHBondContact O-CG 3.16Å; P24-L28 PolarHBondContact O-N 3.49Å
25F83Confident79.6Confident129 Ų12987.5 Ų87.557%0.56646%0.461SS*.Hα-helixtrans-61.7-43.2177.6-177.9-97.5000112.2I21 T22 L23 L28 K29I21-F25 WeakPolarHBondContact O-CB 3.35Å; I21-F25 PolarHBondContact O-N 3.25Å; T22-F25 PolarHBondContact O-N 2.96Å; L23-F25 PolarHBondContact O-N 2.83Å; F25-L28 PolarHBondContact O-N 3.36Å; F25-K29 HydrophobicContact CE1-CG 4.13Å; F25-K29 HydrophobicContact CZ-CG 4.23Å; F25-K29 WeakPolarHBondContact O-CB 3.4Å; F25-K29 WeakPolarHBondContact O-CG 3.33Å; F25-K29 PolarHBondContact O-N 3.41Å
26L80Confident78.7Confident31 Ų3187.4 Ų87.416%0.16247%0.465CS..Hα-helixtrans-62.7-41.6175.3-76.5165.2000111.7T22 L23 P24 K29 L30 F43 L50 W91T22-L26 VanDerWaalsContact O-CB 3.3Å; T22-L26 WeakPolarHBondContact O-CB 3.49Å; T22-L26 WeakPolarHBondContact O-CD1 3.13Å; T22-L26 WeakPolarHBondContact O-CG 3.4Å; T22-L26 PolarHBondContact O-N 2.91Å; L23-L26 PolarHBondContact O-N 3.32Å; P24-L26 PolarHBondContact O-N 3.34Å; L26-K29 PolarHBondContact O-N 3.37Å; L26-L30 PolarHBondContact O-N 2.98Å; L26-F43 HydrophobicContact CB-CD2 3.82Å; L26-F43 HydrophobicContact CB-CE2 3.7Å; L26-L50 HydrophobicContact CD1-CD1 3.88Å; L26-W91 HydrophobicContact CD2-CZ2 4.31Å
27I82.4Confident78.1Confident80 Ų8086.1 Ų86.141%0.4146%0.458SS..Hα-helixtrans-67.3-43.6177.6-68.4167.6000111.4L23 P24 K29 L30 Y31 F43L23-I27 HydrophobicContact CD2-CD1 3.5Å; L23-I27 VanDerWaalsContact CD2-CD1 3.5Å; L23-I27 HydrophobicContact CG-CD1 4.18Å; L23-I27 VanDerWaalsContact O-CG1 3.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 3.34Å; P24-I27 PolarHBondContact O-N 3.24Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 2.98Å; I27-L30 WeakPolarHBondContact O-CB 3.48Å; I27-L30 PolarHBondContact O-N 3.27Å; I27-L30 VanDerWaalsContact O-N 3.13Å; I27-Y31 PolarHBondContact O-N 3.22Å; I27-F43 HydrophobicContact CG1-CE2 3.88Å; I27-F43 HydrophobicContact CG1-CZ 4.02Å
28L82.6Confident77.5Confident111 Ų11181.9 Ų81.958%0.58144%0.436SS*.Hα-helixtrans-60.7-42.6176.7-72.1172.3000111P24 F25 L30 Y31 E32P24-L28 WeakPolarHBondContact O-CB 3.29Å; P24-L28 VanDerWaalsContact O-CG 3.28Å; P24-L28 WeakPolarHBondContact O-CG 3.16Å; P24-L28 PolarHBondContact O-N 3.49Å; F25-L28 PolarHBondContact O-N 3.36Å; L28-L30 VanDerWaalsContact C-N 3.3Å; L28-L30 PolarHBondContact O-N 3.43Å; L28-Y31 PolarHBondContact O-N 2.94Å; L28-E32 PolarHBondContact O-N 3.47Å
29K75.7Confident77.1Confident91 Ų9178.4 Ų78.440%0.39642%0.418SS..Hα-helixtrans-65-31.7175-79.3-73.3167.1-145.60113.5F25 L26 I27 E32 K33F25-K29 HydrophobicContact CE1-CG 4.13Å; F25-K29 HydrophobicContact CZ-CG 4.23Å; F25-K29 WeakPolarHBondContact O-CB 3.4Å; F25-K29 WeakPolarHBondContact O-CG 3.33Å; F25-K29 PolarHBondContact O-N 3.41Å; L26-K29 PolarHBondContact O-N 3.37Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 2.98Å; K29-E32 IonicContact NZ-OE2 2.9Å; K29-E32 PolarHBondContact NZ-OE2 3.1Å; K29-K33 PolarHBondContact O-N 2.79Å
30L75.8Confident77Confident56 Ų5678.2 Ų78.229%0.29342%0.422SS..Hα-helixtrans-68-38.2173.2-175.666.2000111.4L26 I27 L28 V39 F43L26-L30 PolarHBondContact O-N 2.98Å; I27-L30 WeakPolarHBondContact O-CB 3.48Å; I27-L30 PolarHBondContact O-N 3.27Å; I27-L30 VanDerWaalsContact O-N 3.13Å; L28-L30 VanDerWaalsContact C-N 3.3Å; L28-L30 PolarHBondContact O-N 3.43Å; L30-V39 HydrophobicContact CD1-CG1 3.98Å; L30-F43 HydrophobicContact CB-CD2 4.47Å; L30-F43 HydrophobicContact CD1-CB 4.45Å; L30-F43 HydrophobicContact CD2-CD1 4.31Å; L30-F43 HydrophobicContact CD2-CD2 4.31Å; L30-F43 HydrophobicContact CD2-CG 4.21Å
31Y75.7Confident76.9Confident210 Ų21074.5 Ų74.582%0.82440%0.397SS*.Hα-helixtrans-74.7-38.4179.8-167.3-97.6000113.2I27 L28 K33I27-Y31 PolarHBondContact O-N 3.22Å; L28-Y31 PolarHBondContact O-N 2.94Å; Y31-K33 VanDerWaalsContact C-N 3.29Å; Y31-K33 PolarHBondContact O-N 3.18Å
32E73.5Confident76.9Confident137 Ų13771 Ų7164%0.6438%0.376SS*.Hα-helixtrans-62.4-35176.9-77.7-179.2168.100112.8L28 K29 S34L28-E32 PolarHBondContact O-N 3.47Å; K29-E32 IonicContact NZ-OE2 2.9Å; K29-E32 PolarHBondContact NZ-OE2 3.1Å; E32-S34 PolarHBondContact O-N 3.18Å
33K63.3Low77.1Confident96 Ų9671.9 Ų71.942%0.41738%0.377SS..SBendtrans-97.286.6180-68.7-172.6178.3-177.30109.8K29 Y31 A35 V39K29-K33 PolarHBondContact O-N 2.79Å; Y31-K33 VanDerWaalsContact C-N 3.29Å; Y31-K33 PolarHBondContact O-N 3.18Å; K33-A35 WeakPolarHBondContact O-CA 3.21Å; K33-A35 PolarHBondContact O-N 3.05Å; K33-V39 HydrophobicContact CB-CG1 4.18Å; K33-V39 HydrophobicContact CB-CG2 4.02Å; K33-V39 HydrophobicContact CD-CG1 4.21Å; K33-V39 HydrophobicContact CD-CG2 3.53Å; K33-V39 HydrophobicContact CG-CG2 4.42Å
34S54.3Low77.3Confident122 Ų12271.4 Ų71.485%0.85338%0.377SS*.  trans-49.5115169.2-1610000110.2E32 P36E32-S34 PolarHBondContact O-N 3.18Å; S34-P36 WeakPolarHBondContact O-CD 3.4Å
35A57.5Low77.6Confident71 Ų7168.6 Ų68.659%0.58736%0.359SS*.  trans-81.7105.4-130.200000117.2K33K33-A35 WeakPolarHBondContact O-CA 3.21Å; K33-A35 PolarHBondContact O-N 3.05Å
36P70.3Confident78Confident34 Ų3462.5 Ų62.522%0.22133%0.333CS..  trans-69.1144.9153.630.6-31.6000109.3S34 I38 V39S34-P36 WeakPolarHBondContact O-CD 3.4Å; P36-I38 HydrophobicContact CB-CG2 3.89Å; P36-I38 HydrophobicContact CG-CG2 3.83Å; P36-I38 PolarHBondContact O-N 2.93Å; P36-V39 HydrophobicContact CG-CG2 3.92Å; P36-V39 PolarHBondContact O-N 2.89Å
37A74.4Confident78.6Confident32 Ų3265.7 Ų65.726%0.26435%0.349SS..Hα-helixtrans-57.1-25-172.200000114.3V39 S40 A41 A272A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.46Å; A37-S40 WeakPolarHBondContact CA-OG 3.4Å; A37-S40 PolarHBondContact O-N 2.83Å; A37-S40 PolarHBondContact O-OG 2.95Å; A37-A41 PolarHBondContact O-N 3.31Å; A37-A41 VanDerWaalsContact O-N 3.09Å; A37-A272 HydrophobicContact CB-CB 3.73Å; A37-A272 PolarHBondContact N-O 3.23Å
38I76.2Confident79.1Confident12 Ų1264.7 Ų64.76%0.06234%0.342CS..Hα-helixtrans-56.1-41.8172.2-177.973.8000112.6P36 A41 W42 W273P36-I38 HydrophobicContact CB-CG2 3.89Å; P36-I38 HydrophobicContact CG-CG2 3.83Å; P36-I38 PolarHBondContact O-N 2.93Å; I38-A41 WeakPolarHBondContact O-CB 3.16Å; I38-A41 PolarHBondContact O-N 3.13Å; I38-W42 HydrophobicContact CD1-CZ2 3.75Å; I38-W42 VanDerWaalsContact CD1-NE1 3.3Å; I38-W42 HydrophobicContact CG1-CD2 4.17Å; I38-W42 HydrophobicContact CG1-CH2 3.9Å; I38-W42 HydrophobicContact CG1-CZ2 3.26Å; I38-W42 VanDerWaalsContact O-CD1 3.26Å; I38-W42 PolarHBondContact O-N 3.42Å; I38-W273 HydrophobicContact CB-CD2 4.36Å; I38-W273 HydrophobicContact CB-CE3 3.67Å; I38-W273 HydrophobicContact CB-CZ3 4.17Å; I38-W273 HydrophobicContact CD1-CE3 3.34Å; I38-W273 HydrophobicContact CD1-CZ3 3.55Å; I38-W273 HydrophobicContact CG1-CE3 4.03Å; I38-W273 HydrophobicContact CG1-CZ3 4.36Å
39V80Confident79.6Confident10 Ų1059.7 Ų59.76%0.06132%0.316CS..Hα-helixtrans-71.8-39.5-176.8-179.50000110.9L30 K33 P36 A37 A41 W42 F43L30-V39 HydrophobicContact CD1-CG1 3.98Å; K33-V39 HydrophobicContact CB-CG1 4.18Å; K33-V39 HydrophobicContact CB-CG2 4.02Å; K33-V39 HydrophobicContact CD-CG1 4.21Å; K33-V39 HydrophobicContact CD-CG2 3.53Å; K33-V39 HydrophobicContact CG-CG2 4.42Å; P36-V39 HydrophobicContact CG-CG2 3.92Å; P36-V39 PolarHBondContact O-N 2.89Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.46Å; V39-A41 VanDerWaalsContact C-N 3.29Å; V39-A41 PolarHBondContact O-N 2.85Å; V39-W42 HydrophobicContact CB-CE3 4.26Å; V39-W42 HydrophobicContact CG1-CE3 4.43Å; V39-W42 HydrophobicContact CG2-CE3 3.95Å; V39-W42 HydrophobicContact CG2-CZ3 3.83Å; V39-W42 WeakPolarHBondContact O-CB 3.44Å; V39-W42 PolarHBondContact O-N 3.15Å; V39-F43 PolarHBondContact O-N 3.26Å; V39-F43 VanDerWaalsContact O-N 3.07Å
40S83.7Confident80.4Confident52 Ų5256.6 Ų56.636%0.36430%0.304SS..Hα-helixtrans-62.2-38.417342.50000111.8A37 F43 V44A37-S40 WeakPolarHBondContact CA-OG 3.4Å; A37-S40 PolarHBondContact O-N 2.83Å; A37-S40 PolarHBondContact O-OG 2.95Å; S40-F43 PolarHBondContact O-N 3.2Å; S40-V44 WeakPolarHBondContact O-CG2 3.04Å; S40-V44 PolarHBondContact O-N 3.3Å
41A85.8Confident81.1Confident9 Ų954.8 Ų54.87%0.07430%0.299CS..Hα-helixtrans-65.2-41.4176.400000112.1A37 I38 V39 F43 V44 A45 W273 F288A37-A41 PolarHBondContact O-N 3.31Å; A37-A41 VanDerWaalsContact O-N 3.09Å; I38-A41 WeakPolarHBondContact O-CB 3.16Å; I38-A41 PolarHBondContact O-N 3.13Å; V39-A41 VanDerWaalsContact C-N 3.29Å; V39-A41 PolarHBondContact O-N 2.85Å; A41-F43 VanDerWaalsContact C-N 3.32Å; A41-F43 PolarHBondContact O-N 2.74Å; A41-V44 PolarHBondContact O-N 3.15Å; A41-A45 WeakPolarHBondContact O-CB 3.42Å; A41-A45 PolarHBondContact O-N 3.26Å; A41-W273 HydrophobicContact CB-CH2 3.28Å; A41-W273 HydrophobicContact CB-CZ2 4.29Å; A41-W273 HydrophobicContact CB-CZ3 3.7Å; A41-F288 HydrophobicContact CB-CD2 3.93Å; A41-F288 HydrophobicContact CB-CE2 4.18Å; A41-F288 WeakPolarHBondContact O-CE2 3.44Å
42W87.2Confident82Confident48 Ų4844.8 Ų44.818%0.18226%0.26CS..Hα-helixtrans-57.9-44.2173.6-62.6-16.4000112.9I38 V39 G46 W91 L94I38-W42 HydrophobicContact CD1-CZ2 3.75Å; I38-W42 VanDerWaalsContact CD1-NE1 3.3Å; I38-W42 HydrophobicContact CG1-CD2 4.17Å; I38-W42 HydrophobicContact CG1-CH2 3.9Å; I38-W42 HydrophobicContact CG1-CZ2 3.26Å; I38-W42 VanDerWaalsContact O-CD1 3.26Å; I38-W42 PolarHBondContact O-N 3.42Å; V39-W42 HydrophobicContact CB-CE3 4.26Å; V39-W42 HydrophobicContact CG1-CE3 4.43Å; V39-W42 HydrophobicContact CG2-CE3 3.95Å; V39-W42 HydrophobicContact CG2-CZ3 3.83Å; V39-W42 WeakPolarHBondContact O-CB 3.44Å; V39-W42 PolarHBondContact O-N 3.15Å; W42-G46 PolarHBondContact O-N 3.29Å; W42-W91 PolarHBondContact O-NE1 3Å; W42-L94 PolarHBondContact NE1-O 2.87Å
43F86.7Confident83Confident52 Ų5240 Ų4023%0.22824%0.238CC..Hα-helixtrans-65.5-49.5179.8-179.1-94.5000111.4L26 I27 L30 V39 S40 A41 G46 L47L26-F43 HydrophobicContact CB-CD2 3.82Å; L26-F43 HydrophobicContact CB-CE2 3.7Å; I27-F43 HydrophobicContact CG1-CE2 3.88Å; I27-F43 HydrophobicContact CG1-CZ 4.02Å; L30-F43 HydrophobicContact CB-CD2 4.47Å; L30-F43 HydrophobicContact CD1-CB 4.45Å; L30-F43 HydrophobicContact CD2-CD1 4.31Å; L30-F43 HydrophobicContact CD2-CD2 4.31Å; L30-F43 HydrophobicContact CD2-CG 4.21Å; V39-F43 PolarHBondContact O-N 3.26Å; V39-F43 VanDerWaalsContact O-N 3.07Å; S40-F43 PolarHBondContact O-N 3.2Å; A41-F43 VanDerWaalsContact C-N 3.32Å; A41-F43 PolarHBondContact O-N 2.74Å; F43-G46 PolarHBondContact O-N 2.96Å; F43-L47 PolarHBondContact O-N 3.17Å
44V89.8Confident84.4Confident57 Ų5736.2 Ų36.235%0.34522%0.223SC..Hα-helixtrans-64.7-45.5179.9172.80000111.2S40 A41 G46 L47 F48 F288S40-V44 WeakPolarHBondContact O-CG2 3.04Å; S40-V44 PolarHBondContact O-N 3.3Å; A41-V44 PolarHBondContact O-N 3.15Å; V44-G46 VanDerWaalsContact C-N 3.31Å; V44-G46 PolarHBondContact O-N 3.21Å; V44-L47 WeakPolarHBondContact O-CB 3.4Å; V44-L47 PolarHBondContact O-N 3.02Å; V44-L47 VanDerWaalsContact O-N 3.17Å; V44-F48 HydrophobicContact CG1-CD2 4.05Å; V44-F48 HydrophobicContact CG1-CE2 3.76Å; V44-F48 VanDerWaalsContact O-CD2 3.27Å; V44-F48 WeakPolarHBondContact O-CD2 3.49Å; V44-F48 PolarHBondContact O-N 3.47Å; V44-F288 HydrophobicContact CB-CE2 4.02Å; V44-F288 HydrophobicContact CB-CZ 4.41Å; V44-F288 HydrophobicContact CG1-CE2 3.91Å; V44-F288 HydrophobicContact CG1-CZ 3.9Å
45A92.4Very high86.2Confident0 Ų032.6 Ų32.60%019%0.194CC..Hα-helixtrans-59.2-43174.300000111.7A41 L47 F48 V49 L94 F288 C291A41-A45 WeakPolarHBondContact O-CB 3.42Å; A41-A45 PolarHBondContact O-N 3.26Å; A45-L47 VanDerWaalsContact C-N 3.28Å; A45-L47 PolarHBondContact O-N 3.39Å; A45-F48 PolarHBondContact O-N 3.37Å; A45-F48 VanDerWaalsContact O-N 3.15Å; A45-V49 WeakPolarHBondContact O-CG2 3.05Å; A45-V49 PolarHBondContact O-N 3.2Å; A45-L94 HydrophobicContact CB-CD2 3.78Å; A45-F288 HydrophobicContact CB-CD2 3.89Å; A45-F288 HydrophobicContact CB-CE2 4.23Å; A45-C291 HydrophobicContact CB-CB 3.88Å
46G91.4Very high88Confident2 Ų229.2 Ų29.22%0.02117%0.166CC..Hα-helixtrans-58-38.5175.700000112.8W42 F43 V44 V49 L50W42-G46 PolarHBondContact O-N 3.29Å; F43-G46 PolarHBondContact O-N 2.96Å; V44-G46 VanDerWaalsContact C-N 3.31Å; V44-G46 PolarHBondContact O-N 3.21Å; G46-V49 PolarHBondContact O-N 3.45Å; G46-L50 WeakPolarHBondContact O-CB 3.19Å; G46-L50 VanDerWaalsContact O-CG 3.26Å; G46-L50 WeakPolarHBondContact O-CG 3.1Å; G46-L50 PolarHBondContact O-N 3.2Å
47L91.2Very high89.1Confident98 Ų9829.6 Ų29.651%0.51317%0.166SC..Hα-helixtrans-65-42175.3-176.761.1000112.4F43 V44 A45 L50 G51F43-L47 PolarHBondContact O-N 3.17Å; V44-L47 WeakPolarHBondContact O-CB 3.4Å; V44-L47 PolarHBondContact O-N 3.02Å; V44-L47 VanDerWaalsContact O-N 3.17Å; A45-L47 VanDerWaalsContact C-N 3.28Å; A45-L47 PolarHBondContact O-N 3.39Å; L47-L50 PolarHBondContact O-N 3.19Å; L47-G51 PolarHBondContact O-N 3.24Å
48F93.8Very high90Very high59 Ų5931.5 Ų31.526%0.25917%0.166SC..Hα-helixtrans-65.1-40175.3-78.1-72.7000112.3V44 A45 G51 A52 I292 F295V44-F48 HydrophobicContact CG1-CD2 4.05Å; V44-F48 HydrophobicContact CG1-CE2 3.76Å; V44-F48 VanDerWaalsContact O-CD2 3.27Å; V44-F48 WeakPolarHBondContact O-CD2 3.49Å; V44-F48 PolarHBondContact O-N 3.47Å; A45-F48 PolarHBondContact O-N 3.37Å; A45-F48 VanDerWaalsContact O-N 3.15Å; F48-G51 CarbonylContact O-C 3.58Å; F48-G51 WeakPolarHBondContact O-CA 3.44Å; F48-G51 PolarHBondContact O-N 3.21Å; F48-G51 VanDerWaalsContact O-N 3.13Å; F48-A52 WeakPolarHBondContact O-CB 3.09Å; F48-A52 PolarHBondContact O-N 3.2Å; F48-I292 HydrophobicContact CD2-CG1 3.69Å; F48-I292 HydrophobicContact CE1-CG2 4.27Å; F48-I292 HydrophobicContact CE2-CD1 4.16Å; F48-I292 HydrophobicContact CE2-CG1 3.72Å; F48-I292 HydrophobicContact CG-CG1 4.12Å; F48-I292 HydrophobicContact CZ-CG1 4.17Å; F48-I292 HydrophobicContact CZ-CG2 4.36Å; F48-F295 HydrophobicContact CB-CB 4.31Å; F48-F295 HydrophobicContact CD1-CB 3.85Å; F48-F295 AromaticContact CD1-CD1 3.9Å; F48-F295 HydrophobicContact CD1-CD1 3.9Å; F48-F295 AromaticContact CD1-CG 3.87Å; F48-F295 HydrophobicContact CD1-CG 3.87Å; F48-F295 HydrophobicContact CE1-CD1 4.17Å
49V93.4Very high90.8Very high5 Ų531.1 Ų31.13%0.0316%0.164CC..Hα-helixtrans-65.9-44.2176.7173.10000110.6A45 G46 G51 A52 I53 A87 W91 C291A45-V49 WeakPolarHBondContact O-CG2 3.05Å; A45-V49 PolarHBondContact O-N 3.2Å; G46-V49 PolarHBondContact O-N 3.45Å; V49-G51 PolarHBondContact O-N 3.18Å; V49-A52 PolarHBondContact O-N 2.66Å; V49-A52 VanDerWaalsContact O-N 3.16Å; V49-I53 HydrophobicContact CG1-CD1 3.61Å; V49-I53 HydrophobicContact CG1-CG1 4.2Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.06Å; V49-A87 HydrophobicContact CG1-CB 4.14Å; V49-A87 HydrophobicContact CG2-CB 4.21Å; V49-A87 WeakPolarHBondContact CG2-O 3.46Å; V49-W91 HydrophobicContact CG2-CB 3.87Å; V49-W91 HydrophobicContact CG2-CG 4.24Å; V49-C291 HydrophobicContact CG2-CB 4.03Å
50L91.2Very high91.4Very high26 Ų2630.9 Ų30.914%0.13616%0.163CC..Hα-helixtrans-56.9-38.6171.5-76.7174.6000110.3Y15 L26 G46 L47 P54Y15-L50 PolarHBondContact OH-O 3.42Å; L26-L50 HydrophobicContact CD1-CD1 3.88Å; G46-L50 WeakPolarHBondContact O-CB 3.19Å; G46-L50 VanDerWaalsContact O-CG 3.26Å; G46-L50 WeakPolarHBondContact O-CG 3.1Å; G46-L50 PolarHBondContact O-N 3.2Å; L47-L50 PolarHBondContact O-N 3.19Å; L50-P54 WeakPolarHBondContact O-CD 3.46Å; L50-P54 WeakPolarHBondContact O-CG 3.38Å
51G92Very high91.7Very high19 Ų1929.2 Ų29.220%0.19615%0.15CC..Hα-helixtrans-71.3-39.4173.200000114.8L47 F48 V49 P54 I55L47-G51 PolarHBondContact O-N 3.24Å; F48-G51 CarbonylContact O-C 3.58Å; F48-G51 WeakPolarHBondContact O-CA 3.44Å; F48-G51 PolarHBondContact O-N 3.21Å; F48-G51 VanDerWaalsContact O-N 3.13Å; V49-G51 PolarHBondContact O-N 3.18Å; G51-P54 VanDerWaalsContact O-CD 3.31Å; G51-P54 WeakPolarHBondContact O-CD 3.31Å; G51-P54 VanDerWaalsContact O-CG 3.26Å; G51-P54 WeakPolarHBondContact O-CG 3.44Å; G51-I55 VanDerWaalsContact O-CD1 3.29Å; G51-I55 WeakPolarHBondContact O-CD1 3.48Å; G51-I55 VanDerWaalsContact O-CG1 3.28Å; G51-I55 WeakPolarHBondContact O-CG1 3.23Å
52A93.8Very high92Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-72.4-45-171.800000112.8F48 V49 I55 S56 V83 A87 F295 A298F48-A52 WeakPolarHBondContact O-CB 3.09Å; F48-A52 PolarHBondContact O-N 3.2Å; V49-A52 PolarHBondContact O-N 2.66Å; V49-A52 VanDerWaalsContact O-N 3.16Å; A52-I55 PolarHBondContact O-N 3.27Å; A52-S56 PolarHBondContact O-N 2.74Å; A52-V83 HydrophobicContact CB-CG1 4.37Å; A52-A87 HydrophobicContact CB-CB 4.48Å; A52-F295 HydrophobicContact CB-CB 4.2Å; A52-F295 HydrophobicContact CB-CD2 4.42Å; A52-A298 HydrophobicContact CB-CB 4.28Å
53I94.1Very high92.2Very high36 Ų3627.8 Ų27.819%0.18514%0.143CC..Hα-helixtrans-55.4-53.7-179.4-69.1173.3000112.2V49 I55 S56 L57 V88V49-I53 HydrophobicContact CG1-CD1 3.61Å; V49-I53 HydrophobicContact CG1-CG1 4.2Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.06Å; I53-I55 PolarHBondContact O-N 2.89Å; I53-S56 PolarHBondContact O-N 3.07Å; I53-L57 HydrophobicContact CG2-CD1 3.54Å; I53-L57 HydrophobicContact CG2-CG 4.02Å; I53-L57 WeakPolarHBondContact O-CB 3.24Å; I53-L57 VanDerWaalsContact O-CG 3.28Å; I53-L57 WeakPolarHBondContact O-CG 3.45Å; I53-L57 PolarHBondContact O-N 2.8Å; I53-V88 HydrophobicContact CD1-CG2 3.65Å
54P92.9Very high92.2Very high16 Ų1625.7 Ų25.710%0.10413%0.134CC..Hα-helixtrans-68-34.6-175.629.8-40.3000113F11 Y15 L50 G51 S56 L57 W58F11-P54 HydrophobicContact CE1-CB 4.43Å; F11-P54 HydrophobicContact CZ-CB 4.03Å; Y15-P54 HydrophobicContact CD1-CB 3.92Å; Y15-P54 HydrophobicContact CD1-CG 4.42Å; Y15-P54 HydrophobicContact CD2-CB 4.03Å; Y15-P54 HydrophobicContact CE1-CB 3.65Å; Y15-P54 HydrophobicContact CE1-CG 3.66Å; Y15-P54 HydrophobicContact CE2-CB 3.79Å; Y15-P54 HydrophobicContact CE2-CG 3.83Å; Y15-P54 HydrophobicContact CG-CB 4.13Å; L50-P54 WeakPolarHBondContact O-CD 3.46Å; L50-P54 WeakPolarHBondContact O-CG 3.38Å; G51-P54 VanDerWaalsContact O-CD 3.31Å; G51-P54 WeakPolarHBondContact O-CD 3.31Å; G51-P54 VanDerWaalsContact O-CG 3.26Å; G51-P54 WeakPolarHBondContact O-CG 3.44Å; P54-S56 VanDerWaalsContact C-N 3.35Å; P54-L57 PolarHBondContact O-N 2.58Å; P54-W58 WeakPolarHBondContact O-CB 3.28Å; P54-W58 PolarHBondContact O-N 3.26Å
55I93.3Very high92.1Very high47 Ų4723.7 Ų23.724%0.24112%0.121CC..Hα-helixtrans-62.6-47.1175.6-64.5170000109.2G51 A52 I53 W58 T59 F295 A298 I299 H302G51-I55 VanDerWaalsContact O-CD1 3.29Å; G51-I55 WeakPolarHBondContact O-CD1 3.48Å; G51-I55 VanDerWaalsContact O-CG1 3.28Å; G51-I55 WeakPolarHBondContact O-CG1 3.23Å; A52-I55 PolarHBondContact O-N 3.27Å; I53-I55 PolarHBondContact O-N 2.89Å; I55-W58 PolarHBondContact O-N 3.5Å; I55-T59 WeakPolarHBondContact O-CG2 3.41Å; I55-T59 PolarHBondContact O-N 2.78Å; I55-F295 HydrophobicContact CD1-CD2 4.35Å; I55-F295 HydrophobicContact CD1-CE2 3.77Å; I55-F295 HydrophobicContact CD1-CZ 4.46Å; I55-A298 HydrophobicContact CB-CB 3.95Å; I55-A298 HydrophobicContact CG2-CB 3.84Å; I55-I299 HydrophobicContact CD1-CG1 4.06Å; I55-H302 HydrophobicContact CG2-CB 4.33Å
56S94Very high91.8Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-66.2-47.5176.6178.50000112A52 I53 P54 W58 T59 I60 L80 P84A52-S56 PolarHBondContact O-N 2.74Å; I53-S56 PolarHBondContact O-N 3.07Å; P54-S56 VanDerWaalsContact C-N 3.35Å; S56-W58 VanDerWaalsContact C-N 3.26Å; S56-W58 PolarHBondContact O-N 3.48Å; S56-T59 PolarHBondContact O-N 3.02Å; S56-T59 PolarHBondContact O-OG1 3.27Å; S56-I60 WeakPolarHBondContact O-CG1 3.5Å; S56-I60 PolarHBondContact O-N 3.23Å; S56-L80 PolarHBondContact OG-O 3.5Å; S56-L80 VanDerWaalsContact OG-O 3.09Å; S56-P84 VanDerWaalsContact OG-CD 3.23Å; S56-P84 WeakPolarHBondContact OG-CD 3.37Å; S56-P84 WeakPolarHBondContact OG-CG 3.45Å
57L93.6Very high91.5Very high41 Ų4125 Ų2522%0.21513%0.128CC..Hα-helixtrans-60.4-36.4177.7-70.5-179.7000112.1F11 I53 P54 I60 I61 W81F11-L57 HydrophobicContact CE2-CB 3.71Å; F11-L57 HydrophobicContact CE2-CD1 3.88Å; F11-L57 HydrophobicContact CE2-CG 4.48Å; F11-L57 HydrophobicContact CZ-CB 3.72Å; F11-L57 HydrophobicContact CZ-CD1 4.4Å; I53-L57 HydrophobicContact CG2-CD1 3.54Å; I53-L57 HydrophobicContact CG2-CG 4.02Å; I53-L57 WeakPolarHBondContact O-CB 3.24Å; I53-L57 VanDerWaalsContact O-CG 3.28Å; I53-L57 WeakPolarHBondContact O-CG 3.45Å; I53-L57 PolarHBondContact O-N 2.8Å; P54-L57 PolarHBondContact O-N 2.58Å; L57-I60 HydrophobicContact CD2-CD1 4.28Å; L57-I60 PolarHBondContact O-N 3.48Å; L57-I61 WeakPolarHBondContact O-CB 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 2.88Å; L57-W81 HydrophobicContact CD2-CH2 4Å; L57-W81 HydrophobicContact CD2-CZ3 4.24Å
58W93.5Very high91.3Very high73 Ų7321.5 Ų21.528%0.27711%0.111SC..Hα-helixtrans-59.8-47.7173.6-174-91.2000111.3K8 F11 V12 P54 I55 S56 I60 I61 E62K8-W58 HydrophobicContact CB-CH2 3.87Å; K8-W58 HydrophobicContact CB-CZ3 4.03Å; K8-W58 HydrophobicContact CD-CH2 3.67Å; K8-W58 HydrophobicContact CD-CZ2 3.78Å; K8-W58 HydrophobicContact CD-CZ3 4.38Å; K8-W58 HydrophobicContact CG-CH2 3.78Å; K8-W58 HydrophobicContact CG-CZ2 4.28Å; K8-W58 HydrophobicContact CG-CZ3 4Å; F11-W58 AromaticContact CD1-CE3 3.75Å; F11-W58 HydrophobicContact CD1-CE3 3.75Å; F11-W58 HydrophobicContact CD1-CZ3 4.16Å; F11-W58 HydrophobicContact CE1-CB 4.49Å; F11-W58 AromaticContact CE1-CE3 3.94Å; F11-W58 HydrophobicContact CE1-CE3 3.94Å; V12-W58 HydrophobicContact CG2-CZ3 3.89Å; P54-W58 WeakPolarHBondContact O-CB 3.28Å; P54-W58 PolarHBondContact O-N 3.26Å; I55-W58 PolarHBondContact O-N 3.5Å; S56-W58 VanDerWaalsContact C-N 3.26Å; S56-W58 PolarHBondContact O-N 3.48Å; W58-I60 VanDerWaalsContact C-N 3.34Å; W58-I60 PolarHBondContact O-N 3.19Å; W58-I61 PolarHBondContact O-N 3.07Å; W58-E62 VanDerWaalsContact NE1-CD 3.34Å; W58-E62 PolarHBondContact NE1-OE1 3.28Å; W58-E62 WeakPolarHBondContact O-CG 3.45Å; W58-E62 PolarHBondContact O-N 3.46Å
59T92.4Very high91Very high3 Ų321 Ų212%0.01811%0.111CC..Hα-helixtrans-61.6-40.8176.759.90000112.5I55 S56 E62 H63 H302I55-T59 WeakPolarHBondContact O-CG2 3.41Å; I55-T59 PolarHBondContact O-N 2.78Å; S56-T59 PolarHBondContact O-N 3.02Å; S56-T59 PolarHBondContact O-OG1 3.27Å; T59-E62 PolarHBondContact O-N 3.31Å; T59-H63 PolarHBondContact O-CD2 3.35Å; T59-H63 VanDerWaalsContact O-CD2 3.28Å; T59-H63 PolarHBondContact O-N 3.36Å; T59-H63 VanDerWaalsContact O-N 3.13Å; T59-H302 HydrophobicContact CG2-CB 3.66Å; T59-H302 WeakPolarHBondContact CG2-ND1 3.33Å
60I92.8Very high90.7Very high6 Ų622.8 Ų22.83%0.03112%0.122CC..Hα-helixtrans-62.4-44.7175.1-67.9164.2000110.9S56 L57 W58 E62 H63 M64 I77 L80 W81 M327S56-I60 WeakPolarHBondContact O-CG1 3.5Å; S56-I60 PolarHBondContact O-N 3.23Å; L57-I60 HydrophobicContact CD2-CD1 4.28Å; L57-I60 PolarHBondContact O-N 3.48Å; W58-I60 VanDerWaalsContact C-N 3.34Å; W58-I60 PolarHBondContact O-N 3.19Å; I60-E62 VanDerWaalsContact C-N 3.29Å; I60-E62 PolarHBondContact O-N 2.96Å; I60-H63 PolarHBondContact O-N 3.12Å; I60-M64 WeakPolarHBondContact O-CB 3.3Å; I60-M64 PolarHBondContact O-N 3.33Å; I60-I77 HydrophobicContact CG2-CG2 4.07Å; I60-L80 HydrophobicContact CD1-CB 4.16Å; I60-L80 HydrophobicContact CG1-CB 3.71Å; I60-L80 HydrophobicContact CG1-CD1 4.17Å; I60-W81 HydrophobicContact CD1-CD2 4.03Å; I60-W81 HydrophobicContact CD1-CG 4.14Å; I60-M327 HydrophobicContact CG2-CE 3.72Å
61I91.2Very high90.5Very high17 Ų1727.1 Ų27.19%0.08715%0.145CC..Hα-helixtrans-61-40.2177.3-73.4166000110.5I7 K8 F11 L57 W58 M64 I65I7-I61 HydrophobicContact CD1-CG2 4.46Å; I7-I61 HydrophobicContact CG1-CG2 4.46Å; I7-I61 HydrophobicContact CG2-CG2 4.07Å; K8-I61 HydrophobicContact CG-CG2 4.21Å; F11-I61 HydrophobicContact CB-CD1 3.88Å; F11-I61 HydrophobicContact CD1-CD1 4.06Å; F11-I61 HydrophobicContact CD2-CD1 3.52Å; F11-I61 HydrophobicContact CE2-CD1 4.04Å; F11-I61 HydrophobicContact CG-CD1 3.52Å; F11-I61 HydrophobicContact CZ-CD1 4.49Å; L57-I61 WeakPolarHBondContact O-CB 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 2.88Å; W58-I61 PolarHBondContact O-N 3.07Å; I61-M64 HydrophobicContact CG1-CE 4.49Å; I61-M64 PolarHBondContact O-N 3.21Å; I61-M64 VanDerWaalsContact O-N 3.15Å; I61-I65 HydrophobicContact CG2-CD1 3.59Å; I61-I65 HydrophobicContact CG2-CG1 4.15Å; I61-I65 VanDerWaalsContact O-CG1 3.28Å; I61-I65 WeakPolarHBondContact O-CG1 3.39Å; I61-I65 PolarHBondContact O-N 3.2Å
62E91.1Very high90.4Very high25 Ų2527 Ų2712%0.11714%0.14CC..Hα-helixtrans-65.5-40.3178-70.6-170.3148.600113.3K8 W58 T59 I60 M64 N66 W307K8-E62 IonicContact NZ-OE1 3.24Å; K8-E62 PolarHBondContact NZ-OE1 2.61Å; W58-E62 VanDerWaalsContact NE1-CD 3.34Å; W58-E62 PolarHBondContact NE1-OE1 3.28Å; W58-E62 WeakPolarHBondContact O-CG 3.45Å; W58-E62 PolarHBondContact O-N 3.46Å; T59-E62 PolarHBondContact O-N 3.31Å; I60-E62 VanDerWaalsContact C-N 3.29Å; I60-E62 PolarHBondContact O-N 2.96Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 3.28Å; E62-N66 WeakPolarHBondContact O-CB 3.23Å; E62-N66 PolarHBondContact O-N 2.79Å; E62-N66 VanDerWaalsContact O-N 3.1Å; E62-N66 PolarHBondContact O-ND2 2.88Å; E62-N66 VanDerWaalsContact O-ND2 3.08Å; E62-W307 HydrophobicContact CB-CG 4.05Å; E62-W307 VanDerWaalsContact OE2-CD1 3.27Å; E62-W307 PolarHBondContact OE2-NE1 2.84Å
63H91Very high90.3Very high1 Ų127 Ų271%0.00514%0.14CC..Hα-helixtrans-63.6-35.4170.4-81.1-75.3000112.2T59 I60 N66 Y67 I77 F305 W307T59-H63 PolarHBondContact O-CD2 3.35Å; T59-H63 VanDerWaalsContact O-CD2 3.28Å; T59-H63 PolarHBondContact O-N 3.36Å; T59-H63 VanDerWaalsContact O-N 3.13Å; I60-H63 PolarHBondContact O-N 3.12Å; H63-N66 CarbonylContact O-C 3.57Å; H63-Y67 WeakPolarHBondContact O-CA 3.49Å; H63-Y67 PolarHBondContact O-N 3.02Å; H63-I77 HydrophobicContact CB-CD1 3.98Å; H63-I77 HydrophobicContact CB-CG1 3.79Å; H63-F305 PolarHBondContact NE2-O 3.29Å; H63-W307 VanDerWaalsContact CE1-CA 3.48Å; H63-W307 WeakPolarHBondContact CE1-CA 3.16Å
64M87.5Confident90.1Very high8 Ų827 Ų274%0.03914%0.137CC..Hα-helixtrans-74.6-37.3-179.6-171.718055.400113W3 I7 I60 I61 E62 Y67 W324 M327W3-M64 HydrophobicContact CH2-CG 4.18Å; W3-M64 HydrophobicContact CZ3-CE 4.13Å; I7-M64 HydrophobicContact CD1-CE 3.22Å; I60-M64 WeakPolarHBondContact O-CB 3.3Å; I60-M64 PolarHBondContact O-N 3.33Å; I61-M64 HydrophobicContact CG1-CE 4.49Å; I61-M64 PolarHBondContact O-N 3.21Å; I61-M64 VanDerWaalsContact O-N 3.15Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 3.28Å; M64-Y67 WeakPolarHBondContact O-CB 3.36Å; M64-W324 HydrophobicContact SD-CE3 4.05Å; M64-M327 HydrophobicContact CG-SD 4.06Å; M64-M327 HydrophobicContact SD-CE 4.41Å; M64-M327 HydrophobicContact SD-SD 3.75Å
65I87.1Confident90.1Very high15 Ų1526.5 Ų26.58%0.07713%0.134CC..Hα-helixtrans-66.1-44.7175.2-71.7166.8000109.7R4 I7 K8 I61 Y67R4-I65 HydrophobicContact CB-CG2 4Å; R4-I65 HydrophobicContact CG-CG2 3.99Å; R4-I65 PolarHBondContact NE-O 3.39Å; R4-I65 PolarHBondContact NH1-O 3.14Å; R4-I65 PolarHBondContact NH2-O 3.15Å; I7-I65 HydrophobicContact CG2-CD1 3.52Å; I7-I65 HydrophobicContact CG2-CG1 3.72Å; K8-I65 HydrophobicContact CD-CD1 4.08Å; K8-I65 HydrophobicContact CG-CD1 3.82Å; I61-I65 HydrophobicContact CG2-CD1 3.59Å; I61-I65 HydrophobicContact CG2-CG1 4.15Å; I61-I65 VanDerWaalsContact O-CG1 3.28Å; I61-I65 WeakPolarHBondContact O-CG1 3.39Å; I61-I65 PolarHBondContact O-N 3.2Å; I65-Y67 VanDerWaalsContact C-N 3.29Å; I65-Y67 PolarHBondContact O-N 3.1Å
66N85.7Confident90.1Very high30 Ų3024.3 Ų24.316%0.1612%0.122CC..THydrogen-bonded Turntrans-98.944-177.6-56.7-60000111.4E62 H63 T68 Q73 W307 V311E62-N66 WeakPolarHBondContact O-CB 3.23Å; E62-N66 PolarHBondContact O-N 2.79Å; E62-N66 VanDerWaalsContact O-N 3.1Å; E62-N66 PolarHBondContact O-ND2 2.88Å; E62-N66 VanDerWaalsContact O-ND2 3.08Å; H63-N66 CarbonylContact O-C 3.57Å; N66-T68 PolarHBondContact O-N 3.21Å; N66-T68 VanDerWaalsContact O-N 3.11Å; N66-Q73 PolarHBondContact O-NE2 3.13Å; N66-Q73 PolarHBondContact O-OE1 3.36Å; N66-W307 HydrophobicContact CB-CD2 4.3Å; N66-W307 HydrophobicContact CB-CE3 3.66Å; N66-W307 HydrophobicContact CB-CZ3 4.02Å; N66-W307 VanDerWaalsContact CG-CZ3 3.48Å; N66-W307 VanDerWaalsContact ND2-CD2 3.32Å; N66-W307 VanDerWaalsContact ND2-CZ3 3.35Å; N66-W307 WeakPolarHBondContact ND2-CZ3 3.21Å; N66-V311 HydrophobicContact CB-CG2 3.58Å
67Y86.4Confident90Very high1 Ų124.3 Ų24.30%0.00412%0.122CC..  trans-83.286.8-175.4-161.9-109.8000111.1H63 M64 I65 P70 Q73 I77 T318 Y322 S326H63-Y67 WeakPolarHBondContact O-CA 3.49Å; H63-Y67 PolarHBondContact O-N 3.02Å; M64-Y67 WeakPolarHBondContact O-CB 3.36Å; I65-Y67 VanDerWaalsContact C-N 3.29Å; I65-Y67 PolarHBondContact O-N 3.1Å; Y67-P70 HydrophobicContact CE1-CB 3.6Å; Y67-P70 WeakPolarHBondContact OH-CA 3.49Å; Y67-P70 WeakPolarHBondContact OH-CB 3.39Å; Y67-Q73 HydrophobicContact CD2-CB 3.87Å; Y67-Q73 HydrophobicContact CE2-CB 3.66Å; Y67-I77 HydrophobicContact CD2-CD1 4.26Å; Y67-I77 HydrophobicContact CE2-CD1 4.04Å; Y67-T318 HydrophobicContact CD1-CG2 4.42Å; Y67-T318 WeakPolarHBondContact O-CG2 3.02Å; Y67-T318 PolarHBondContact O-OG1 2.88Å; Y67-Y322 HydrophobicContact CE1-CE1 4.34Å; Y67-S326 PolarHBondContact OH-OG 3.3Å
68T86.4Confident90Very high23 Ų2322.6 Ų22.614%0.14111%0.113CC..  trans-107.7-39.9-175.751.50000111.6N66 P70 Y310 V311 S315N66-T68 PolarHBondContact O-N 3.21Å; N66-T68 VanDerWaalsContact O-N 3.11Å; T68-P70 WeakPolarHBondContact O-CD 3.14Å; T68-Y310 PolarHBondContact OG1-O 3.2Å; T68-V311 HydrophobicContact CG2-CG1 4.07Å; T68-V311 WeakPolarHBondContact OG1-CA 3.12Å; T68-S315 WeakPolarHBondContact CB-OG 3.42Å; T68-S315 WeakPolarHBondContact CG2-OG 3.41Å
69N86.6Confident90Very high50 Ų5019.1 Ų19.127%0.26710%0.1SC..  trans-114.379.2-176.7-83.2-47.6000110.9L71 L72 Q73 Y310 D312N69-L71 PolarHBondContact O-N 3Å; N69-L71 VanDerWaalsContact O-N 3.17Å; N69-L72 PolarHBondContact O-N 3Å; N69-L72 VanDerWaalsContact O-N 3.15Å; N69-Q73 WeakPolarHBondContact O-CB 3.4Å; N69-Q73 PolarHBondContact O-N 3.42Å; N69-Y310 PolarHBondContact ND2-O 3.44Å; N69-D312 PolarHBondContact ND2-OD2 3.39Å; N69-D312 PolarHBondContact OD1-OD2 2.89Å
70P87.2Confident90Very high41 Ų4119 Ų1927%0.26610%0.099SC..Hα-helixtrans-60.6-30.1-175.123.6-34.4000113.2Y67 T68 L72 R74Y67-P70 HydrophobicContact CE1-CB 3.6Å; Y67-P70 WeakPolarHBondContact OH-CA 3.49Å; Y67-P70 WeakPolarHBondContact OH-CB 3.39Å; T68-P70 WeakPolarHBondContact O-CD 3.14Å; P70-L72 PolarHBondContact O-N 3.48Å; P70-R74 WeakPolarHBondContact O-CB 3.5Å; P70-R74 PolarHBondContact O-N 3.39Å
71L87.3Confident90.1Very high118 Ų11821.6 Ų21.662%0.61811%0.109SC*.Hα-helixtrans-61.3-30.8179.8-65.1178.1000113.2N69 H75 N124N69-L71 PolarHBondContact O-N 3Å; N69-L71 VanDerWaalsContact O-N 3.17Å; L71-H75 PolarHBondContact O-CD2 3.41Å; L71-H75 VanDerWaalsContact O-CD2 3.26Å; L71-N124 PolarHBondContact O-ND2 3.15Å
72L90.1Very high90.1Very high15 Ų1520.8 Ų20.88%0.07910%0.104CC..Hα-helixtrans-103.4-50.4-179.5-58.5-176.6000111.2N69 P70 R74 H75 I76 F121 N124 Y125 Y310N69-L72 PolarHBondContact O-N 3Å; N69-L72 VanDerWaalsContact O-N 3.15Å; P70-L72 PolarHBondContact O-N 3.48Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 2.87Å; L72-H75 PolarHBondContact O-N 3.46Å; L72-H75 VanDerWaalsContact O-N 3.15Å; L72-I76 PolarHBondContact O-N 2.87Å; L72-F121 HydrophobicContact CB-CD2 4.33Å; L72-F121 HydrophobicContact CB-CE2 4.17Å; L72-F121 HydrophobicContact CD2-CD2 4.31Å; L72-F121 HydrophobicContact CD2-CE2 4.46Å; L72-N124 HydrophobicContact CD2-CB 3.81Å; L72-Y125 HydrophobicContact CD1-CD2 4.08Å; L72-Y125 VanDerWaalsContact CD2-N 3.32Å; L72-Y310 HydrophobicContact CB-CD1 4.33Å; L72-Y310 HydrophobicContact CB-CE1 4.42Å; L72-Y310 HydrophobicContact CD1-CD1 4Å; L72-Y310 HydrophobicContact CD1-CE1 4.03Å
73Q91.2Very high90.3Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-63.9-31.1-173.4-68.7178.6-62.700112.5N66 Y67 N69 H75 I76 I77 Y310N66-Q73 PolarHBondContact O-NE2 3.13Å; N66-Q73 PolarHBondContact O-OE1 3.36Å; Y67-Q73 HydrophobicContact CD2-CB 3.87Å; Y67-Q73 HydrophobicContact CE2-CB 3.66Å; N69-Q73 WeakPolarHBondContact O-CB 3.4Å; N69-Q73 PolarHBondContact O-N 3.42Å; Q73-H75 VanDerWaalsContact C-N 3.34Å; Q73-H75 PolarHBondContact O-N 2.94Å; Q73-I76 PolarHBondContact O-N 2.92Å; Q73-I77 WeakPolarHBondContact O-CB 3.18Å; Q73-I77 VanDerWaalsContact O-CG1 3.24Å; Q73-I77 WeakPolarHBondContact O-CG1 3.43Å; Q73-I77 PolarHBondContact O-N 2.72Å; Q73-Y310 HydrophobicContact CG-CG 4.26Å
74R91.8Very high90.4Very high37 Ų3720 Ų2014%0.1410%0.101CC..Hα-helixtrans-56.3-46.8174.4178.4-177.1-73.1-1337.4112.1P70 L72 R78 S326 D329P70-R74 WeakPolarHBondContact O-CB 3.5Å; P70-R74 PolarHBondContact O-N 3.39Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 2.87Å; R74-R78 WeakPolarHBondContact O-CD 3.49Å; R74-R78 VanDerWaalsContact O-CG 3.3Å; R74-R78 WeakPolarHBondContact O-CG 3.24Å; R74-R78 PolarHBondContact O-N 3.12Å; R74-S326 VanDerWaalsContact CZ-OG 3.25Å; R74-S326 PolarHBondContact NE-O 2.92Å; R74-S326 PolarHBondContact NE-OG 2.99Å; R74-S326 PolarHBondContact NH1-O 2.71Å; R74-S326 PolarHBondContact NH2-OG 2.94Å; R74-D329 IonicContact CZ-OD2 2.83Å; R74-D329 VanDerWaalsContact NH1-CB 3.3Å; R74-D329 PolarHBondContact NH1-O 3.25Å; R74-D329 VanDerWaalsContact NH1-O 3.07Å; R74-D329 IonicContact NH1-OD2 3.85Å; R74-D329 PolarHBondContact NH1-OD2 2.89Å; R74-D329 IonicContact NH2-OD2 3.64Å
75H92.5Very high90.7Very high6 Ų621.9 Ų21.93%0.02811%0.111CC..Hα-helixtrans-71.7-37.5179.5-63.6-66.8000112L71 L72 Q73 R78 I79 N117 A120 F121 N124 D332L71-H75 PolarHBondContact O-CD2 3.41Å; L71-H75 VanDerWaalsContact O-CD2 3.26Å; L72-H75 PolarHBondContact O-N 3.46Å; L72-H75 VanDerWaalsContact O-N 3.15Å; Q73-H75 VanDerWaalsContact C-N 3.34Å; Q73-H75 PolarHBondContact O-N 2.94Å; H75-R78 PolarHBondContact ND1-NH1 3.49Å; H75-R78 PolarHBondContact O-N 2.99Å; H75-I79 VanDerWaalsContact O-CG1 3.29Å; H75-I79 WeakPolarHBondContact O-CG1 3.45Å; H75-I79 PolarHBondContact O-N 3.42Å; H75-N117 HydrophobicContact CB-CB 4.48Å; H75-N117 PolarHBondContact ND1-OD1 2.95Å; H75-A120 VanDerWaalsContact CE1-CB 3.49Å; H75-A120 WeakPolarHBondContact CE1-CB 3.16Å; H75-F121 HydrophobicContact CB-CB 3.74Å; H75-N124 PolarHBondContact CD2-ND2 3.03Å; H75-N124 PolarHBondContact NE2-ND2 3.46Å; H75-D332 IonicContact CE1-OD2 3.23Å; H75-D332 PolarHBondContact CE1-OD2 3.04Å; H75-D332 IonicContact ND1-OD2 2.72Å
76I92Very high91.1Very high0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-60-48.7174.8-63.7172.7000110.6L72 Q73 R78 I79 L80 F121 F305 Y310L72-I76 PolarHBondContact O-N 2.87Å; Q73-I76 PolarHBondContact O-N 2.92Å; I76-R78 VanDerWaalsContact C-N 3.29Å; I76-R78 PolarHBondContact O-N 3.41Å; I76-I79 WeakPolarHBondContact O-CA 3.39Å; I76-I79 WeakPolarHBondContact O-CB 3.14Å; I76-I79 PolarHBondContact O-N 2.86Å; I76-L80 HydrophobicContact CG2-CD1 3.95Å; I76-L80 HydrophobicContact CG2-CG 4.21Å; I76-L80 WeakPolarHBondContact O-CG 3.12Å; I76-L80 PolarHBondContact O-N 3.23Å; I76-F121 HydrophobicContact CD1-CD2 4.34Å; I76-F121 HydrophobicContact CD1-CE2 3.59Å; I76-F121 HydrophobicContact CD1-CZ 3.97Å; I76-F121 HydrophobicContact CG1-CD2 3.88Å; I76-F121 HydrophobicContact CG1-CE2 3.58Å; I76-F121 HydrophobicContact CG1-CZ 3.99Å; I76-F305 HydrophobicContact CG2-CB 4.15Å; I76-F305 HydrophobicContact CG2-CD1 3.92Å; I76-F305 HydrophobicContact CG2-CG 4.37Å; I76-Y310 HydrophobicContact CD1-CD2 3.97Å; I76-Y310 HydrophobicContact CD1-CE1 4.06Å; I76-Y310 HydrophobicContact CD1-CE2 3.35Å; I76-Y310 VanDerWaalsContact CD1-CZ 3.42Å
77I93Very high91.5Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-58-45.1179.3-71166.5000110.4I60 H63 Y67 Q73 I79 L80 W81 M327I60-I77 HydrophobicContact CG2-CG2 4.07Å; H63-I77 HydrophobicContact CB-CD1 3.98Å; H63-I77 HydrophobicContact CB-CG1 3.79Å; Y67-I77 HydrophobicContact CD2-CD1 4.26Å; Y67-I77 HydrophobicContact CE2-CD1 4.04Å; Q73-I77 WeakPolarHBondContact O-CB 3.18Å; Q73-I77 VanDerWaalsContact O-CG1 3.24Å; Q73-I77 WeakPolarHBondContact O-CG1 3.43Å; Q73-I77 PolarHBondContact O-N 2.72Å; I77-I79 VanDerWaalsContact C-N 3.27Å; I77-I79 PolarHBondContact O-N 3.5Å; I77-L80 PolarHBondContact O-N 3.23Å; I77-L80 VanDerWaalsContact O-N 3.13Å; I77-W81 PolarHBondContact O-N 2.98Å; I77-W81 VanDerWaalsContact O-N 3.1Å; I77-M327 HydrophobicContact CD1-CG 3.97Å; I77-M327 HydrophobicContact CD1-SD 4.44Å; I77-M327 HydrophobicContact CG2-CE 3.64Å; I77-M327 HydrophobicContact CG2-CG 4.05Å
78R93.6Very high91.8Very high5 Ų522.6 Ų22.62%0.01912%0.117CC..Hα-helixtrans-61-34.3175.8-70.5166179.4-179.23112.8R74 H75 I76 Y110 Y113 N117 D329 D332R74-R78 WeakPolarHBondContact O-CD 3.49Å; R74-R78 VanDerWaalsContact O-CG 3.3Å; R74-R78 WeakPolarHBondContact O-CG 3.24Å; R74-R78 PolarHBondContact O-N 3.12Å; H75-R78 PolarHBondContact ND1-NH1 3.49Å; H75-R78 PolarHBondContact O-N 2.99Å; I76-R78 VanDerWaalsContact C-N 3.29Å; I76-R78 PolarHBondContact O-N 3.41Å; R78-Y110 PolarHBondContact O-OH 3.44Å; R78-Y113 HydrophobicContact CB-CE1 3.96Å; R78-Y113 WeakPolarHBondContact CD-OH 3.29Å; R78-Y113 HydrophobicContact CG-CE1 4.17Å; R78-Y113 PolarHBondContact NE-OH 2.73Å; R78-N117 WeakPolarHBondContact CD-OD1 3.28Å; R78-N117 PolarHBondContact NH1-OD1 3.44Å; R78-D329 PolarHBondContact NH2-O 3.47Å; R78-D332 IonicContact CZ-OD1 3.59Å; R78-D332 IonicContact CZ-OD2 2.74Å; R78-D332 IonicContact NH1-OD1 3.44Å; R78-D332 PolarHBondContact NH1-OD1 3.32Å; R78-D332 IonicContact NH1-OD2 3.58Å; R78-D332 PolarHBondContact NH1-OD2 3.48Å; R78-D332 IonicContact NH2-OD1 2.71Å; R78-D332 PolarHBondContact NH2-OD1 2.84Å; R78-D332 IonicContact NH2-OD2 3.12Å; R78-D332 PolarHBondContact NH2-OD2 3.29Å
79I92.8Very high92.2Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-70.7-40.6173.8-66.4162.6000110.7H75 I76 I77 W81 M82 V114 N117 F118 V244 F305H75-I79 VanDerWaalsContact O-CG1 3.29Å; H75-I79 WeakPolarHBondContact O-CG1 3.45Å; H75-I79 PolarHBondContact O-N 3.42Å; I76-I79 WeakPolarHBondContact O-CA 3.39Å; I76-I79 WeakPolarHBondContact O-CB 3.14Å; I76-I79 PolarHBondContact O-N 2.86Å; I77-I79 VanDerWaalsContact C-N 3.27Å; I77-I79 PolarHBondContact O-N 3.5Å; I79-W81 VanDerWaalsContact C-N 3.27Å; I79-W81 PolarHBondContact O-N 2.99Å; I79-M82 WeakPolarHBondContact O-CB 3.26Å; I79-M82 PolarHBondContact O-N 2.69Å; I79-V114 HydrophobicContact CG1-CG1 4.36Å; I79-V114 HydrophobicContact CG2-CG1 4.34Å; I79-N117 HydrophobicContact CD1-CB 4.47Å; I79-N117 HydrophobicContact CG1-CB 4.08Å; I79-F118 HydrophobicContact CD1-CB 4.1Å; I79-F118 HydrophobicContact CD1-CD2 4.04Å; I79-V244 HydrophobicContact CG2-CG2 3.45Å; I79-V244 VanDerWaalsContact CG2-CG2 3.45Å; I79-F305 HydrophobicContact CG2-CZ 4.17Å
80L93.3Very high92.5Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-63.7-31-179.5-71.2174.5000113.3S56 I60 I76 I77 M82 V83 P84 H301 F305S56-L80 PolarHBondContact OG-O 3.5Å; S56-L80 VanDerWaalsContact OG-O 3.09Å; I60-L80 HydrophobicContact CD1-CB 4.16Å; I60-L80 HydrophobicContact CG1-CB 3.71Å; I60-L80 HydrophobicContact CG1-CD1 4.17Å; I76-L80 HydrophobicContact CG2-CD1 3.95Å; I76-L80 HydrophobicContact CG2-CG 4.21Å; I76-L80 WeakPolarHBondContact O-CG 3.12Å; I76-L80 PolarHBondContact O-N 3.23Å; I77-L80 PolarHBondContact O-N 3.23Å; I77-L80 VanDerWaalsContact O-N 3.13Å; L80-M82 PolarHBondContact O-N 3.35Å; L80-V83 PolarHBondContact O-N 3.44Å; L80-P84 VanDerWaalsContact O-CD 3.27Å; L80-P84 WeakPolarHBondContact O-CD 3.4Å; L80-H301 HydrophobicContact CD2-CB 3.79Å; L80-F305 HydrophobicContact CD2-CB 3.94Å; L80-F305 HydrophobicContact CD2-CD2 4.22Å; L80-F305 HydrophobicContact CD2-CG 4.27Å
81W93.6Very high92.8Very high62 Ų6221.3 Ų21.324%0.23510%0.102CC..THydrogen-bonded Turntrans-62.3-15.2173.5-86.3109.7000114.2L57 I60 I77 I79 V83 P84 I85 Y110L57-W81 HydrophobicContact CD2-CH2 4Å; L57-W81 HydrophobicContact CD2-CZ3 4.24Å; I60-W81 HydrophobicContact CD1-CD2 4.03Å; I60-W81 HydrophobicContact CD1-CG 4.14Å; I77-W81 PolarHBondContact O-N 2.98Å; I77-W81 VanDerWaalsContact O-N 3.1Å; I79-W81 VanDerWaalsContact C-N 3.27Å; I79-W81 PolarHBondContact O-N 2.99Å; W81-V83 VanDerWaalsContact C-N 3.31Å; W81-V83 PolarHBondContact O-N 3.27Å; W81-P84 HydrophobicContact CE3-CB 4.27Å; W81-P84 HydrophobicContact CE3-CG 4.38Å; W81-P84 HydrophobicContact CZ3-CB 4.47Å; W81-P84 WeakPolarHBondContact O-CD 3.28Å; W81-I85 HydrophobicContact CB-CD1 4.26Å; W81-I85 WeakPolarHBondContact O-CB 3.47Å; W81-I85 WeakPolarHBondContact O-CD1 3.26Å; W81-I85 VanDerWaalsContact O-CG1 3.28Å; W81-I85 WeakPolarHBondContact O-CG1 3.17Å; W81-I85 PolarHBondContact O-N 2.77Å; W81-Y110 WeakPolarHBondContact CB-OH 3.31Å
82M92.7Very high93Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-54.4-46.3173.7-175.7-174.8177.500112.2I79 L80 I85 Y86 Y110 V114 V247 V248I79-M82 WeakPolarHBondContact O-CB 3.26Å; I79-M82 PolarHBondContact O-N 2.69Å; L80-M82 PolarHBondContact O-N 3.35Å; M82-I85 PolarHBondContact O-N 2.75Å; M82-Y86 HydrophobicContact CE-CD1 4.23Å; M82-Y86 HydrophobicContact CE-CE1 3.63Å; M82-Y86 HydrophobicContact CE-CE2 4.28Å; M82-Y86 HydrophobicContact CG-CD2 3.88Å; M82-Y86 HydrophobicContact CG-CE2 3.74Å; M82-Y86 HydrophobicContact CG-CG 4.34Å; M82-Y86 VanDerWaalsContact O-CB 3.29Å; M82-Y86 WeakPolarHBondContact O-CB 2.76Å; M82-Y86 WeakPolarHBondContact O-CD2 3.07Å; M82-Y86 PolarHBondContact O-N 2.92Å; M82-Y110 VanDerWaalsContact CA-CE1 3.42Å; M82-Y110 HydrophobicContact CB-CD1 4.29Å; M82-Y110 HydrophobicContact CB-CE1 3.84Å; M82-Y110 HydrophobicContact CG-CD1 4.4Å; M82-Y110 HydrophobicContact CG-CE1 4.42Å; M82-V114 HydrophobicContact CB-CG2 4.11Å; M82-V114 HydrophobicContact CG-CG2 4.26Å; M82-V114 HydrophobicContact SD-CG1 4.21Å; M82-V114 HydrophobicContact SD-CG2 4.31Å; M82-V247 HydrophobicContact CE-CB 3.9Å; M82-V247 HydrophobicContact CE-CG1 3.44Å; M82-V247 VanDerWaalsContact CE-CG1 3.44Å; M82-V248 HydrophobicContact CE-CG2 3.66Å
83V93.7Very high93.1Very high0 Ų017.7 Ų17.70%08%0.082CC..Hα-helixtrans-67-48.9-174.1171.50000112.3A52 L80 W81 I85 Y86 A87 M294 A297 A298 H301A52-V83 HydrophobicContact CB-CG1 4.37Å; L80-V83 PolarHBondContact O-N 3.44Å; W81-V83 VanDerWaalsContact C-N 3.31Å; W81-V83 PolarHBondContact O-N 3.27Å; V83-I85 PolarHBondContact O-N 3.09Å; V83-Y86 PolarHBondContact O-N 3.38Å; V83-A87 WeakPolarHBondContact O-CB 3.33Å; V83-A87 PolarHBondContact O-N 2.99Å; V83-M294 HydrophobicContact CG1-CB 4.21Å; V83-M294 VanDerWaalsContact CG1-O 3.26Å; V83-M294 WeakPolarHBondContact CG1-O 3.48Å; V83-A297 HydrophobicContact CG2-CB 3.92Å; V83-A298 HydrophobicContact CG1-CB 3.86Å; V83-H301 VanDerWaalsContact CG2-ND1 3.28Å; V83-H301 WeakPolarHBondContact CG2-ND1 3.36Å
84P94.4Very high93Very high8 Ų817.8 Ų17.85%0.0528%0.083CC..Hα-helixtrans-59.4-44174.7-26.834.6000113.3S56 L80 W81 A87 V88S56-P84 VanDerWaalsContact OG-CD 3.23Å; S56-P84 WeakPolarHBondContact OG-CD 3.37Å; S56-P84 WeakPolarHBondContact OG-CG 3.45Å; L80-P84 VanDerWaalsContact O-CD 3.27Å; L80-P84 WeakPolarHBondContact O-CD 3.4Å; W81-P84 HydrophobicContact CE3-CB 4.27Å; W81-P84 HydrophobicContact CE3-CG 4.38Å; W81-P84 HydrophobicContact CZ3-CB 4.47Å; W81-P84 WeakPolarHBondContact O-CD 3.28Å; P84-A87 PolarHBondContact O-N 3.44Å; P84-V88 WeakPolarHBondContact O-CB 3.16Å; P84-V88 VanDerWaalsContact O-CG2 3.3Å; P84-V88 WeakPolarHBondContact O-CG2 3.36Å; P84-V88 PolarHBondContact O-N 3.24Å
85I94.3Very high92.7Very high49 Ų4918.2 Ų18.225%0.2519%0.088SC..Hα-helixtrans-62.5-51.5-179.7-70.2167.7000109.6W81 M82 V83 A87 V88 D89 Y110W81-I85 HydrophobicContact CB-CD1 4.26Å; W81-I85 WeakPolarHBondContact O-CB 3.47Å; W81-I85 WeakPolarHBondContact O-CD1 3.26Å; W81-I85 VanDerWaalsContact O-CG1 3.28Å; W81-I85 WeakPolarHBondContact O-CG1 3.17Å; W81-I85 PolarHBondContact O-N 2.77Å; M82-I85 PolarHBondContact O-N 2.75Å; V83-I85 PolarHBondContact O-N 3.09Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 3.2Å; I85-V88 PolarHBondContact O-N 3.06Å; I85-D89 VanDerWaalsContact CG2-OD2 3.31Å; I85-D89 WeakPolarHBondContact CG2-OD2 3.3Å; I85-D89 VanDerWaalsContact O-CB 3.27Å; I85-D89 WeakPolarHBondContact O-CB 3.29Å; I85-D89 PolarHBondContact O-N 3.3Å; I85-Y110 HydrophobicContact CD1-CD1 4.38Å; I85-Y110 HydrophobicContact CD1-CD2 3.79Å; I85-Y110 HydrophobicContact CD1-CE1 4Å; I85-Y110 HydrophobicContact CD1-CE2 3.33Å; I85-Y110 HydrophobicContact CD1-CG 4.26Å; I85-Y110 VanDerWaalsContact CD1-CZ 3.43Å; I85-Y110 HydrophobicContact CG2-CG 4.48Å
86Y93.7Very high92.5Very high4 Ų422.5 Ų22.52%0.01611%0.106CC..Hα-helixtrans-64.2-38.4-178.5-81.6-134.9000112.2M82 V83 A90 R107 Y110 E111 V247 M294M82-Y86 HydrophobicContact CE-CD1 4.23Å; M82-Y86 HydrophobicContact CE-CE1 3.63Å; M82-Y86 HydrophobicContact CE-CE2 4.28Å; M82-Y86 HydrophobicContact CG-CD2 3.88Å; M82-Y86 HydrophobicContact CG-CE2 3.74Å; M82-Y86 HydrophobicContact CG-CG 4.34Å; M82-Y86 VanDerWaalsContact O-CB 3.29Å; M82-Y86 WeakPolarHBondContact O-CB 2.76Å; M82-Y86 WeakPolarHBondContact O-CD2 3.07Å; M82-Y86 PolarHBondContact O-N 2.92Å; V83-Y86 PolarHBondContact O-N 3.38Å; Y86-A90 WeakPolarHBondContact O-CB 2.96Å; Y86-A90 PolarHBondContact O-N 3.49Å; Y86-R107 HydrophobicContact CD1-CG 3.56Å; Y86-R107 HydrophobicContact CD2-CG 3.76Å; Y86-R107 HydrophobicContact CE1-CG 3.3Å; Y86-R107 HydrophobicContact CE2-CB 4.45Å; Y86-R107 HydrophobicContact CE2-CG 3.52Å; Y86-R107 HydrophobicContact CG-CG 3.78Å; Y86-R107 PolarHBondContact OH-O 3.18Å; Y86-R107 VanDerWaalsContact OH-O 3.08Å; Y86-Y110 AromaticContact CE2-CD1 3.99Å; Y86-Y110 HydrophobicContact CE2-CD1 3.99Å; Y86-E111 WeakPolarHBondContact OH-CB 3.23Å; Y86-V247 HydrophobicContact CD1-CG1 4.43Å; Y86-M294 WeakPolarHBondContact CB-SD 3.37Å; Y86-M294 HydrophobicContact CD1-CE 4.48Å; Y86-M294 HydrophobicContact CD1-SD 4.11Å; Y86-M294 HydrophobicContact CG-SD 4.12Å
87A94.4Very high92.1Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-65.5-46.8179.300000111.3V49 A52 V83 P84 I85 W91 M294V49-A87 HydrophobicContact CG1-CB 4.14Å; V49-A87 HydrophobicContact CG2-CB 4.21Å; V49-A87 WeakPolarHBondContact CG2-O 3.46Å; A52-A87 HydrophobicContact CB-CB 4.48Å; V83-A87 WeakPolarHBondContact O-CB 3.33Å; V83-A87 PolarHBondContact O-N 2.99Å; P84-A87 PolarHBondContact O-N 3.44Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-A87 PolarHBondContact O-N 3.2Å; A87-W91 WeakPolarHBondContact O-CB 3.39Å; A87-W91 PolarHBondContact O-N 2.9Å; A87-M294 HydrophobicContact CB-CB 3.89Å; A87-M294 HydrophobicContact CB-CG 4.06Å
88V94Very high91.6Very high56 Ų5630.3 Ų30.334%0.33916%0.159SC..Hα-helixtrans-66-46.5177.5173.70000110.6I53 P84 I85 A90 W91 M92I53-V88 HydrophobicContact CD1-CG2 3.65Å; P84-V88 WeakPolarHBondContact O-CB 3.16Å; P84-V88 VanDerWaalsContact O-CG2 3.3Å; P84-V88 WeakPolarHBondContact O-CG2 3.36Å; P84-V88 PolarHBondContact O-N 3.24Å; I85-V88 PolarHBondContact O-N 3.06Å; V88-A90 PolarHBondContact O-N 3.35Å; V88-W91 PolarHBondContact O-N 3.21Å; V88-M92 HydrophobicContact CG1-CG 4.07Å; V88-M92 WeakPolarHBondContact O-CB 3.26Å; V88-M92 VanDerWaalsContact O-CG 3.24Å; V88-M92 WeakPolarHBondContact O-CG 3.27Å; V88-M92 PolarHBondContact O-N 3.41Å
89D94Very high91.2Very high18 Ų1835.5 Ų35.510%0.09618%0.182CC..Hα-helixtrans-60.3-44.9-179.6-72-14000111.4I85 M92 A93 F103I85-D89 VanDerWaalsContact CG2-OD2 3.31Å; I85-D89 WeakPolarHBondContact CG2-OD2 3.3Å; I85-D89 VanDerWaalsContact O-CB 3.27Å; I85-D89 WeakPolarHBondContact O-CB 3.29Å; I85-D89 PolarHBondContact O-N 3.3Å; D89-M92 PolarHBondContact O-N 3.37Å; D89-A93 VanDerWaalsContact O-CB 3.25Å; D89-A93 WeakPolarHBondContact O-CB 3.38Å; D89-A93 PolarHBondContact O-N 3.49Å; D89-F103 HydrophobicContact CB-CB 4.22Å; D89-F103 HydrophobicContact CB-CD1 4.37Å
90A93.1Very high90.9Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-64.9-41177.100000112.5Y86 V88 L94 N287 I290Y86-A90 WeakPolarHBondContact O-CB 2.96Å; Y86-A90 PolarHBondContact O-N 3.49Å; V88-A90 PolarHBondContact O-N 3.35Å; A90-L94 WeakPolarHBondContact O-CB 3.35Å; A90-L94 PolarHBondContact O-N 3.42Å; A90-N287 HydrophobicContact CB-CB 4.47Å; A90-I290 HydrophobicContact CB-CB 4Å; A90-I290 HydrophobicContact CB-CG2 3.64Å
91W93.4Very high90.4Very high70 Ų7038.9 Ų38.927%0.26520%0.2SC..Hα-helixtrans-66.6-41.4176.7-173.154.6000112.3L26 W42 V49 A87 V88 L94 I95L26-W91 HydrophobicContact CD2-CZ2 4.31Å; W42-W91 PolarHBondContact O-NE1 3Å; V49-W91 HydrophobicContact CG2-CB 3.87Å; V49-W91 HydrophobicContact CG2-CG 4.24Å; A87-W91 WeakPolarHBondContact O-CB 3.39Å; A87-W91 PolarHBondContact O-N 2.9Å; V88-W91 PolarHBondContact O-N 3.21Å; W91-L94 WeakPolarHBondContact O-CB 3.44Å; W91-L94 PolarHBondContact O-N 2.89Å; W91-I95 HydrophobicContact CD2-CD1 3.86Å; W91-I95 HydrophobicContact CE3-CD1 4.23Å; W91-I95 HydrophobicContact CG-CD1 4.41Å; W91-I95 HydrophobicContact CH2-CD1 4.07Å; W91-I95 HydrophobicContact CZ2-CD1 3.68Å; W91-I95 HydrophobicContact CZ3-CD1 4.33Å; W91-I95 WeakPolarHBondContact O-CG1 3.28Å; W91-I95 PolarHBondContact O-N 2.51Å
92M92.2Very high90.1Very high53 Ų5342.4 Ų42.426%0.26121%0.214SC..Hα-helixtrans-66.9-41.4176.6-72.1-64.7-68.400112V88 D89 L94 I95 F96 F103V88-M92 HydrophobicContact CG1-CG 4.07Å; V88-M92 WeakPolarHBondContact O-CB 3.26Å; V88-M92 VanDerWaalsContact O-CG 3.24Å; V88-M92 WeakPolarHBondContact O-CG 3.27Å; V88-M92 PolarHBondContact O-N 3.41Å; D89-M92 PolarHBondContact O-N 3.37Å; M92-L94 PolarHBondContact O-N 3.14Å; M92-I95 PolarHBondContact O-N 3.43Å; M92-F96 HydrophobicContact CE-CD2 3.77Å; M92-F96 HydrophobicContact CE-CE2 3.63Å; M92-F96 PolarHBondContact O-N 3.45Å; M92-F96 HydrophobicContact SD-CD2 4.46Å; M92-F96 HydrophobicContact SD-CE2 4.27Å; M92-F103 HydrophobicContact CB-CD1 4.27Å; M92-F103 HydrophobicContact CB-CD2 4.13Å; M92-F103 HydrophobicContact CB-CE1 3.83Å; M92-F103 HydrophobicContact CB-CE2 3.67Å; M92-F103 HydrophobicContact CB-CG 4.43Å; M92-F103 HydrophobicContact CB-CZ 3.52Å; M92-F103 HydrophobicContact CE-CZ 4.05Å; M92-F103 HydrophobicContact CG-CE1 4.4Å; M92-F103 HydrophobicContact CG-CZ 4.26Å
93A90.8Very high90Very high3 Ų344.1 Ų44.13%0.02522%0.222CC..Hα-helixtrans-60.6-33.2172.900000112.1D89 F96 A100 F103 N287D89-A93 VanDerWaalsContact O-CB 3.25Å; D89-A93 WeakPolarHBondContact O-CB 3.38Å; D89-A93 PolarHBondContact O-N 3.49Å; A93-F96 CarbonylContact O-C 3.59Å; A93-A100 HydrophobicContact CB-CB 3.87Å; A93-F103 HydrophobicContact CB-CB 4.17Å; A93-F103 HydrophobicContact CB-CD2 4.17Å; A93-N287 HydrophobicContact CB-CB 4.49Å
94L89.2Confident89.6Confident2 Ų246 Ų461%0.0123%0.231CC..Hα-helixtrans-72.4-41.8176.9-162.369.4000112.1W42 A45 A90 W91 M92 A284 N287 F288W42-L94 PolarHBondContact NE1-O 2.87Å; A45-L94 HydrophobicContact CB-CD2 3.78Å; A90-L94 WeakPolarHBondContact O-CB 3.35Å; A90-L94 PolarHBondContact O-N 3.42Å; W91-L94 WeakPolarHBondContact O-CB 3.44Å; W91-L94 PolarHBondContact O-N 2.89Å; M92-L94 PolarHBondContact O-N 3.14Å; L94-A284 HydrophobicContact CD1-CB 3.91Å; L94-A284 WeakPolarHBondContact CD1-O 3.42Å; L94-N287 HydrophobicContact CB-CB 4.44Å; L94-N287 HydrophobicContact CD1-CB 4.32Å; L94-F288 HydrophobicContact CD1-CB 4.4Å; L94-F288 HydrophobicContact CD2-CB 4.41Å; L94-F288 HydrophobicContact CD2-CD2 4.38Å
95I86.7Confident89.3Confident47 Ų4747.7 Ų47.724%0.24124%0.242CC..Hα-helixtrans-70.4-40.2177.5-66168000111.4W91 M92 P97W91-I95 HydrophobicContact CD2-CD1 3.86Å; W91-I95 HydrophobicContact CE3-CD1 4.23Å; W91-I95 HydrophobicContact CG-CD1 4.41Å; W91-I95 HydrophobicContact CH2-CD1 4.07Å; W91-I95 HydrophobicContact CZ2-CD1 3.68Å; W91-I95 HydrophobicContact CZ3-CD1 4.33Å; W91-I95 WeakPolarHBondContact O-CG1 3.28Å; W91-I95 PolarHBondContact O-N 2.51Å; M92-I95 PolarHBondContact O-N 3.43Å; I95-P97 VanDerWaalsContact C-CD 3.49Å; I95-P97 VanDerWaalsContact O-CD 3.32Å; I95-P97 WeakPolarHBondContact O-CD 3.05Å
96F87.8Confident89.1Confident95 Ų9550.1 Ų50.142%0.41726%0.255SS..  trans-120.978.5-176-57.5-74.3000111.3M92 A93 S98 F99 A100M92-F96 HydrophobicContact CE-CD2 3.77Å; M92-F96 HydrophobicContact CE-CE2 3.63Å; M92-F96 PolarHBondContact O-N 3.45Å; M92-F96 HydrophobicContact SD-CD2 4.46Å; M92-F96 HydrophobicContact SD-CE2 4.27Å; A93-F96 CarbonylContact O-C 3.59Å; F96-S98 PolarHBondContact O-N 3.48Å; F96-S98 VanDerWaalsContact O-N 3.11Å; F96-F99 HydrophobicContact CB-CB 4.36Å; F96-F99 HydrophobicContact CB-CD2 4.02Å; F96-F99 PolarHBondContact O-N 3.01Å; F96-A100 PolarHBondContact O-N 2.77Å
97P82.6Confident88.9Confident60 Ų6050.2 Ų50.239%0.3926%0.255SS..G310 helixtrans-54.8-33.8-179.3-27.334.7000113.7I95 F99 A100I95-P97 VanDerWaalsContact C-CD 3.49Å; I95-P97 VanDerWaalsContact O-CD 3.32Å; I95-P97 WeakPolarHBondContact O-CD 3.05Å; P97-F99 PolarHBondContact O-N 2.89Å; P97-A100 VanDerWaalsContact O-CB 3.23Å; P97-A100 WeakPolarHBondContact O-CB 3.04Å; P97-A100 PolarHBondContact O-N 3.31Å; P97-A100 VanDerWaalsContact O-N 3.13Å
98S83.7Confident88.7Confident104 Ų10452.7 Ų52.773%0.72727%0.267SS*.G310 helixtrans-63.2-24.1177.5-52.10000113.9F96F96-S98 PolarHBondContact O-N 3.48Å; F96-S98 VanDerWaalsContact O-N 3.11Å
99F85.6Confident88.6Confident115 Ų11551.7 Ų51.750%0.50426%0.262SS..G310 helixtrans-103.50.4177.5-66.9-78.1000112.9F96 P97 I101 Y102 F103F96-F99 HydrophobicContact CB-CB 4.36Å; F96-F99 HydrophobicContact CB-CD2 4.02Å; F96-F99 PolarHBondContact O-N 3.01Å; P97-F99 PolarHBondContact O-N 2.89Å; F99-I101 PolarHBondContact O-N 3.34Å; F99-Y102 HydrophobicContact CB-CD2 4.36Å; F99-Y102 AromaticContact CD1-CD2 3.81Å; F99-Y102 HydrophobicContact CD1-CD2 3.81Å; F99-Y102 HydrophobicContact CD1-CE2 4.04Å; F99-Y102 PolarHBondContact O-N 2.9Å; F99-F103 HydrophobicContact CB-CD2 4.19Å; F99-F103 HydrophobicContact CB-CE2 3.74Å; F99-F103 WeakPolarHBondContact O-CD2 3.33Å; F99-F103 PolarHBondContact O-N 3.03Å
100A85.9Confident88.5Confident2 Ų252.5 Ų52.52%0.01726%0.264CS..Hα-helixtrans-54.1-40.9-176.700000112.3A93 F96 P97 Y102 F103 D104 I283A93-A100 HydrophobicContact CB-CB 3.87Å; F96-A100 PolarHBondContact O-N 2.77Å; P97-A100 VanDerWaalsContact O-CB 3.23Å; P97-A100 WeakPolarHBondContact O-CB 3.04Å; P97-A100 PolarHBondContact O-N 3.31Å; P97-A100 VanDerWaalsContact O-N 3.13Å; A100-Y102 VanDerWaalsContact C-N 3.29Å; A100-Y102 PolarHBondContact O-N 3.35Å; A100-F103 PolarHBondContact O-N 3.15Å; A100-F103 VanDerWaalsContact O-N 3.12Å; A100-D104 PolarHBondContact O-N 3.26Å; A100-I283 HydrophobicContact CB-CG2 4Å
101I82.6Confident88.4Confident69 Ų6952.7 Ų52.735%0.35427%0.265SS..Hα-helixtrans-58.5-39.9179-59.1161.3000111.8F99 T105 E194F99-I101 PolarHBondContact O-N 3.34Å; I101-T105 WeakPolarHBondContact O-CB 3.43Å; I101-T105 PolarHBondContact O-N 3.26Å; I101-T105 PolarHBondContact O-OG1 3.2Å; I101-E194 VanDerWaalsContact CD1-OE1 3.24Å; I101-E194 WeakPolarHBondContact CD1-OE1 3.39Å; I101-E194 WeakPolarHBondContact CD1-OE2 3.2Å; I101-E194 WeakPolarHBondContact CG1-OE1 3.14Å
102Y87Confident88.3Confident135 Ų13549.4 Ų49.453%0.52925%0.252SS..Hα-helixtrans-69.1-42177.8-61.7-74.5000111.3F99 A100 T105 L106 L184F99-Y102 HydrophobicContact CB-CD2 4.36Å; F99-Y102 AromaticContact CD1-CD2 3.81Å; F99-Y102 HydrophobicContact CD1-CD2 3.81Å; F99-Y102 HydrophobicContact CD1-CE2 4.04Å; F99-Y102 PolarHBondContact O-N 2.9Å; A100-Y102 VanDerWaalsContact C-N 3.29Å; A100-Y102 PolarHBondContact O-N 3.35Å; Y102-T105 WeakPolarHBondContact O-CB 3.37Å; Y102-T105 PolarHBondContact O-N 3.09Å; Y102-L106 WeakPolarHBondContact O-CG 3.12Å; Y102-L106 PolarHBondContact O-N 3.13Å; Y102-L184 HydrophobicContact CE1-CD2 4.34Å
103F90.5Very high88.3Confident37 Ų3748.6 Ų48.616%0.16225%0.247CC..Hα-helixtrans-65.1-42.4176.6-67.8-62.7000112.1D89 M92 A93 F99 A100 T105 L106 R107D89-F103 HydrophobicContact CB-CB 4.22Å; D89-F103 HydrophobicContact CB-CD1 4.37Å; M92-F103 HydrophobicContact CB-CD1 4.27Å; M92-F103 HydrophobicContact CB-CD2 4.13Å; M92-F103 HydrophobicContact CB-CE1 3.83Å; M92-F103 HydrophobicContact CB-CE2 3.67Å; M92-F103 HydrophobicContact CB-CG 4.43Å; M92-F103 HydrophobicContact CB-CZ 3.52Å; M92-F103 HydrophobicContact CE-CZ 4.05Å; M92-F103 HydrophobicContact CG-CE1 4.4Å; M92-F103 HydrophobicContact CG-CZ 4.26Å; A93-F103 HydrophobicContact CB-CB 4.17Å; A93-F103 HydrophobicContact CB-CD2 4.17Å; F99-F103 HydrophobicContact CB-CD2 4.19Å; F99-F103 HydrophobicContact CB-CE2 3.74Å; F99-F103 WeakPolarHBondContact O-CD2 3.33Å; F99-F103 PolarHBondContact O-N 3.03Å; A100-F103 PolarHBondContact O-N 3.15Å; A100-F103 VanDerWaalsContact O-N 3.12Å; F103-T105 VanDerWaalsContact C-N 3.29Å; F103-T105 PolarHBondContact O-N 3.46Å; F103-L106 PolarHBondContact O-N 3.29Å; F103-R107 WeakPolarHBondContact O-CB 3.35Å; F103-R107 PolarHBondContact O-N 2.8Å
104D86.1Confident88.4Confident38 Ų3848.6 Ų48.620%0.20325%0.246CC..Hα-helixtrans-61.7-40.8174.8-70.7-26.9000110.7A100 L106 R107 E108A100-D104 PolarHBondContact O-N 3.26Å; D104-L106 PolarHBondContact O-N 3.05Å; D104-R107 WeakPolarHBondContact O-CB 3.45Å; D104-R107 PolarHBondContact O-N 2.62Å; D104-R107 IonicContact OD1-CZ 3.35Å; D104-R107 IonicContact OD1-NH1 2.8Å; D104-R107 PolarHBondContact OD1-NH1 3.18Å; D104-R107 IonicContact OD1-NH2 3.77Å; D104-R107 PolarHBondContact OD1-NH2 3.06Å; D104-E108 WeakPolarHBondContact O-CB 3.31Å; D104-E108 WeakPolarHBondContact O-CG 3.46Å; D104-E108 PolarHBondContact O-N 3.29Å
105T88.1Confident88.5Confident44 Ų4449.1 Ų49.127%0.2725%0.249SC..Hα-helixtrans-62.7-41.6175.5-60.60000112.6I101 Y102 F103 E108 C109 T180I101-T105 WeakPolarHBondContact O-CB 3.43Å; I101-T105 PolarHBondContact O-N 3.26Å; I101-T105 PolarHBondContact O-OG1 3.2Å; Y102-T105 WeakPolarHBondContact O-CB 3.37Å; Y102-T105 PolarHBondContact O-N 3.09Å; F103-T105 VanDerWaalsContact C-N 3.29Å; F103-T105 PolarHBondContact O-N 3.46Å; T105-E108 PolarHBondContact O-N 3.33Å; T105-C109 PolarHBondContact O-N 2.79Å; T105-C109 PolarHBondContact O-SG 2.66Å; T105-T180 HydrophobicContact CG2-CG2 3.29Å; T105-T180 WeakPolarHBondContact CG2-OG1 3.39Å
106L89.6Confident88.7Confident101 Ų10147.4 Ų47.453%0.52924%0.24SC..Hα-helixtrans-64.5-45.6176.6-73173.4000111.6Y102 F103 D104 E108 C109 Y110Y102-L106 WeakPolarHBondContact O-CG 3.12Å; Y102-L106 PolarHBondContact O-N 3.13Å; F103-L106 PolarHBondContact O-N 3.29Å; D104-L106 PolarHBondContact O-N 3.05Å; L106-E108 VanDerWaalsContact C-N 3.29Å; L106-E108 PolarHBondContact O-N 3.06Å; L106-C109 PolarHBondContact O-N 3.09Å; L106-Y110 PolarHBondContact O-N 2.9Å
107R90.6Very high88.9Confident6 Ų642.9 Ų42.92%0.02322%0.22CC..Hα-helixtrans-53.9-48.4175.9-173.6-171.9-62138.13.3111.1Y86 F103 D104 Y110 E111 N287Y86-R107 HydrophobicContact CD1-CG 3.56Å; Y86-R107 HydrophobicContact CD2-CG 3.76Å; Y86-R107 HydrophobicContact CE1-CG 3.3Å; Y86-R107 HydrophobicContact CE2-CB 4.45Å; Y86-R107 HydrophobicContact CE2-CG 3.52Å; Y86-R107 HydrophobicContact CG-CG 3.78Å; Y86-R107 PolarHBondContact OH-O 3.18Å; Y86-R107 VanDerWaalsContact OH-O 3.08Å; F103-R107 WeakPolarHBondContact O-CB 3.35Å; F103-R107 PolarHBondContact O-N 2.8Å; D104-R107 WeakPolarHBondContact O-CB 3.45Å; D104-R107 PolarHBondContact O-N 2.62Å; D104-R107 IonicContact OD1-CZ 3.35Å; D104-R107 IonicContact OD1-NH1 2.8Å; D104-R107 PolarHBondContact OD1-NH1 3.18Å; D104-R107 IonicContact OD1-NH2 3.77Å; D104-R107 PolarHBondContact OD1-NH2 3.06Å; R107-Y110 CarbonylContact O-C 3.44Å; R107-Y110 WeakPolarHBondContact O-CB 3.4Å; R107-Y110 PolarHBondContact O-N 3.37Å; R107-Y110 VanDerWaalsContact O-N 3.15Å; R107-E111 PolarHBondContact O-N 3.37Å; R107-N287 PolarHBondContact NH2-OD1 3.32Å
108E89.3Confident89.4Confident51 Ų5140.3 Ų40.324%0.23820%0.202CC..Hα-helixtrans-69.3-35.4-178.6-67-78.2145.600113.6D104 T105 L106 Y110 E111 A112 R176D104-E108 WeakPolarHBondContact O-CB 3.31Å; D104-E108 WeakPolarHBondContact O-CG 3.46Å; D104-E108 PolarHBondContact O-N 3.29Å; T105-E108 PolarHBondContact O-N 3.33Å; L106-E108 VanDerWaalsContact C-N 3.29Å; L106-E108 PolarHBondContact O-N 3.06Å; E108-Y110 VanDerWaalsContact C-N 3.26Å; E108-Y110 PolarHBondContact O-N 3.42Å; E108-E111 WeakPolarHBondContact O-CB 3.39Å; E108-E111 PolarHBondContact O-N 3.33Å; E108-A112 PolarHBondContact O-N 3.22Å; E108-R176 IonicContact OE2-CZ 2.62Å; E108-R176 IonicContact OE2-NH1 2.87Å; E108-R176 PolarHBondContact OE2-NH1 3.39Å; E108-R176 IonicContact OE2-NH2 3.8Å; E108-R176 PolarHBondContact OE2-NH2 3.34Å
109C91.3Very high89.8Confident35 Ų3535.6 Ų35.624%0.23617%0.169CC..Hα-helixtrans-62.2-39.2170.4-69.90000111T105 L106 A112 Y113T105-C109 PolarHBondContact O-N 2.79Å; T105-C109 PolarHBondContact O-SG 2.66Å; L106-C109 PolarHBondContact O-N 3.09Å; C109-A112 PolarHBondContact O-N 2.97Å; C109-Y113 PolarHBondContact O-N 2.73Å; C109-Y113 VanDerWaalsContact O-N 3.15Å
110Y92.6Very high90.1Very high36 Ų3630.5 Ų30.514%0.14115%0.148CC..Hα-helixtrans-69.2-33.6177.7-159.6-95.3000112.5R78 W81 M82 I85 Y86 L106 R107 E108 A112 Y113 V114R78-Y110 PolarHBondContact O-OH 3.44Å; W81-Y110 WeakPolarHBondContact CB-OH 3.31Å; M82-Y110 VanDerWaalsContact CA-CE1 3.42Å; M82-Y110 HydrophobicContact CB-CD1 4.29Å; M82-Y110 HydrophobicContact CB-CE1 3.84Å; M82-Y110 HydrophobicContact CG-CD1 4.4Å; M82-Y110 HydrophobicContact CG-CE1 4.42Å; I85-Y110 HydrophobicContact CD1-CD1 4.38Å; I85-Y110 HydrophobicContact CD1-CD2 3.79Å; I85-Y110 HydrophobicContact CD1-CE1 4Å; I85-Y110 HydrophobicContact CD1-CE2 3.33Å; I85-Y110 HydrophobicContact CD1-CG 4.26Å; I85-Y110 VanDerWaalsContact CD1-CZ 3.43Å; I85-Y110 HydrophobicContact CG2-CG 4.48Å; Y86-Y110 AromaticContact CE2-CD1 3.99Å; Y86-Y110 HydrophobicContact CE2-CD1 3.99Å; L106-Y110 PolarHBondContact O-N 2.9Å; R107-Y110 CarbonylContact O-C 3.44Å; R107-Y110 WeakPolarHBondContact O-CB 3.4Å; R107-Y110 PolarHBondContact O-N 3.37Å; R107-Y110 VanDerWaalsContact O-N 3.15Å; E108-Y110 VanDerWaalsContact C-N 3.26Å; E108-Y110 PolarHBondContact O-N 3.42Å; Y110-A112 VanDerWaalsContact C-N 3.3Å; Y110-A112 PolarHBondContact O-N 2.86Å; Y110-Y113 HydrophobicContact CD2-CD1 4.21Å; Y110-Y113 AromaticContact CE2-CD1 3.74Å; Y110-Y113 HydrophobicContact CE2-CD1 3.74Å; Y110-Y113 HydrophobicContact CE2-CE1 4.24Å; Y110-Y113 CarbonylContact O-C 3.4Å; Y110-Y113 WeakPolarHBondContact O-CA 3.45Å; Y110-Y113 VanDerWaalsContact O-CB 3.3Å; Y110-Y113 WeakPolarHBondContact O-CB 3.4Å; Y110-Y113 PolarHBondContact O-N 3.4Å; Y110-Y113 VanDerWaalsContact O-N 3.12Å; Y110-V114 HydrophobicContact CD1-CG2 3.59Å; Y110-V114 HydrophobicContact CE1-CG2 3.41Å; Y110-V114 VanDerWaalsContact CE1-CG2 3.41Å; Y110-V114 WeakPolarHBondContact O-CG2 3.36Å; Y110-V114 PolarHBondContact O-N 3.08Å
111E90.8Very high90.4Very high3 Ų330.4 Ų30.41%0.01415%0.148CC..Hα-helixtrans-54.3-49.9170.2-174.1-173.3155.700111.1Y86 R107 E108 Y113 V114 I115 Q214 K245 V248Y86-E111 WeakPolarHBondContact OH-CB 3.23Å; R107-E111 PolarHBondContact O-N 3.37Å; E108-E111 WeakPolarHBondContact O-CB 3.39Å; E108-E111 PolarHBondContact O-N 3.33Å; E111-Y113 PolarHBondContact O-N 2.83Å; E111-V114 WeakPolarHBondContact O-CB 3.27Å; E111-V114 PolarHBondContact O-N 3.44Å; E111-I115 HydrophobicContact CG-CD1 4.23Å; E111-I115 WeakPolarHBondContact O-CG1 3.17Å; E111-I115 PolarHBondContact O-N 3.45Å; E111-Q214 PolarHBondContact OE1-NE2 2.9Å; E111-Q214 PolarHBondContact OE2-NE2 3.38Å; E111-K245 IonicContact OE1-NZ 2.75Å; E111-K245 PolarHBondContact OE1-NZ 3.02Å; E111-V248 HydrophobicContact CG-CG1 4.26Å; E111-V248 HydrophobicContact CG-CG2 3.77Å; E111-V248 VanDerWaalsContact OE1-CG1 3.32Å; E111-V248 WeakPolarHBondContact OE1-CG1 3.42Å; E111-V248 WeakPolarHBondContact OE2-CG1 3.27Å
112A91.9Very high90.8Very high1 Ų127.2 Ų27.21%0.00813%0.131CC..Hα-helixtrans-62.8-32.7-179.200000111.8E108 C109 Y110 Y116 Y172 T173 R176E108-A112 PolarHBondContact O-N 3.22Å; C109-A112 PolarHBondContact O-N 2.97Å; Y110-A112 VanDerWaalsContact C-N 3.3Å; Y110-A112 PolarHBondContact O-N 2.86Å; A112-Y116 PolarHBondContact O-N 2.81Å; A112-Y172 VanDerWaalsContact CA-CE1 3.46Å; A112-Y172 HydrophobicContact CB-CD1 3.51Å; A112-Y172 HydrophobicContact CB-CE1 3.39Å; A112-Y172 HydrophobicContact CB-CG 4.29Å; A112-T173 PolarHBondContact O-OG1 3.28Å; A112-R176 HydrophobicContact CB-CB 4.06Å; A112-R176 HydrophobicContact CB-CG 4.47Å
113Y92.3Very high91.1Very high37 Ų3721.2 Ų21.215%0.14511%0.108CC..Hα-helixtrans-67.1-41.9171.7-176-105.8000112.6R78 C109 Y110 E111 Y116 N117 V330 M333R78-Y113 HydrophobicContact CB-CE1 3.96Å; R78-Y113 WeakPolarHBondContact CD-OH 3.29Å; R78-Y113 HydrophobicContact CG-CE1 4.17Å; R78-Y113 PolarHBondContact NE-OH 2.73Å; C109-Y113 PolarHBondContact O-N 2.73Å; C109-Y113 VanDerWaalsContact O-N 3.15Å; Y110-Y113 HydrophobicContact CD2-CD1 4.21Å; Y110-Y113 AromaticContact CE2-CD1 3.74Å; Y110-Y113 HydrophobicContact CE2-CD1 3.74Å; Y110-Y113 HydrophobicContact CE2-CE1 4.24Å; Y110-Y113 CarbonylContact O-C 3.4Å; Y110-Y113 WeakPolarHBondContact O-CA 3.45Å; Y110-Y113 VanDerWaalsContact O-CB 3.3Å; Y110-Y113 WeakPolarHBondContact O-CB 3.4Å; Y110-Y113 PolarHBondContact O-N 3.4Å; Y110-Y113 VanDerWaalsContact O-N 3.12Å; E111-Y113 PolarHBondContact O-N 2.83Å; Y113-Y116 PolarHBondContact O-N 2.97Å; Y113-N117 WeakPolarHBondContact CD1-ND2 3.27Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.43Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.25Å; Y113-N117 PolarHBondContact O-N 3.43Å; Y113-N117 PolarHBondContact O-ND2 3.05Å; Y113-V330 HydrophobicContact CE2-CG1 4.13Å; Y113-M333 HydrophobicContact CD2-CE 3.15Å; Y113-M333 HydrophobicContact CD2-SD 3.52Å; Y113-M333 VanDerWaalsContact CD2-SD 3.52Å; Y113-M333 HydrophobicContact CE2-CE 3.55Å; Y113-M333 HydrophobicContact CE2-SD 3.63Å; Y113-M333 HydrophobicContact CG-CE 4.16Å
114V92.1Very high91.1Very high2 Ų221.4 Ų21.41%0.01211%0.111CC..Hα-helixtrans-65.9-42.5178.9168.50000111.2I79 M82 Y110 E111 Y116 N117 F118 V244I79-V114 HydrophobicContact CG1-CG1 4.36Å; I79-V114 HydrophobicContact CG2-CG1 4.34Å; M82-V114 HydrophobicContact CB-CG2 4.11Å; M82-V114 HydrophobicContact CG-CG2 4.26Å; M82-V114 HydrophobicContact SD-CG1 4.21Å; M82-V114 HydrophobicContact SD-CG2 4.31Å; Y110-V114 HydrophobicContact CD1-CG2 3.59Å; Y110-V114 HydrophobicContact CE1-CG2 3.41Å; Y110-V114 VanDerWaalsContact CE1-CG2 3.41Å; Y110-V114 WeakPolarHBondContact O-CG2 3.36Å; Y110-V114 PolarHBondContact O-N 3.08Å; E111-V114 WeakPolarHBondContact O-CB 3.27Å; E111-V114 PolarHBondContact O-N 3.44Å; V114-Y116 VanDerWaalsContact C-N 3.34Å; V114-Y116 PolarHBondContact O-N 3.1Å; V114-N117 PolarHBondContact O-N 3.19Å; V114-F118 WeakPolarHBondContact O-CB 3.42Å; V114-F118 PolarHBondContact O-N 3.22Å; V114-V244 HydrophobicContact CG1-CG1 3.38Å
115I90.6Very high91.3Very high14 Ų1420.6 Ų20.67%0.07211%0.105CC..Hα-helixtrans-59.7-45.1176.8-68.3174.9000110.9E111 F118 L119 A169 Y172 L221E111-I115 HydrophobicContact CG-CD1 4.23Å; E111-I115 WeakPolarHBondContact O-CG1 3.17Å; E111-I115 PolarHBondContact O-N 3.45Å; I115-F118 PolarHBondContact O-N 2.86Å; I115-L119 PolarHBondContact O-N 3.41Å; I115-A169 HydrophobicContact CG2-CB 4.44Å; I115-Y172 HydrophobicContact CD1-CD1 3.88Å; I115-Y172 HydrophobicContact CD1-CE1 3.82Å; I115-L221 HydrophobicContact CG2-CD1 4.09Å
116Y92.1Very high91.5Very high11 Ų1118.5 Ų18.54%0.0439%0.092CC..Hα-helixtrans-58.2-51.4174.2167-95.3000111.5A112 Y113 V114 F118 L119 A120 L170 D332 M333 D336A112-Y116 PolarHBondContact O-N 2.81Å; Y113-Y116 PolarHBondContact O-N 2.97Å; V114-Y116 VanDerWaalsContact C-N 3.34Å; V114-Y116 PolarHBondContact O-N 3.1Å; Y116-F118 VanDerWaalsContact C-N 3.25Å; Y116-F118 PolarHBondContact O-N 3.41Å; Y116-L119 PolarHBondContact O-N 3.42Å; Y116-A120 HydrophobicContact CE1-CB 4.32Å; Y116-A120 WeakPolarHBondContact O-CB 3.11Å; Y116-A120 PolarHBondContact O-N 3.43Å; Y116-L170 HydrophobicContact CD2-CD1 3.73Å; Y116-L170 HydrophobicContact CE2-CD1 4.02Å; Y116-D332 PolarHBondContact OH-O 2.87Å; Y116-M333 HydrophobicContact CD1-CB 4.21Å; Y116-M333 HydrophobicContact CD1-CE 3.18Å; Y116-M333 HydrophobicContact CD1-CG 4.36Å; Y116-M333 HydrophobicContact CD2-CE 4.31Å; Y116-M333 HydrophobicContact CE1-CB 3.62Å; Y116-M333 HydrophobicContact CE1-CE 3.9Å; Y116-M333 HydrophobicContact CE1-CG 4.18Å; Y116-M333 HydrophobicContact CG-CE 3.42Å; Y116-M333 VanDerWaalsContact CG-CE 3.42Å; Y116-M333 WeakPolarHBondContact OH-CA 3.47Å; Y116-M333 PolarHBondContact OH-N 3.45Å; Y116-D336 HydrophobicContact CE2-CB 3.96Å; Y116-D336 WeakPolarHBondContact CE2-OD2 3.47Å; Y116-D336 VanDerWaalsContact OH-CG 3.24Å; Y116-D336 PolarHBondContact OH-OD2 3.02Å
117N92.4Very high91.5Very high0 Ų019.2 Ų19.20%09%0.088CC..Hα-helixtrans-63.5-34.6-177.8-81.1-74.4000112H75 R78 I79 Y113 V114 F121H75-N117 HydrophobicContact CB-CB 4.48Å; H75-N117 PolarHBondContact ND1-OD1 2.95Å; R78-N117 WeakPolarHBondContact CD-OD1 3.28Å; R78-N117 PolarHBondContact NH1-OD1 3.44Å; I79-N117 HydrophobicContact CD1-CB 4.47Å; I79-N117 HydrophobicContact CG1-CB 4.08Å; Y113-N117 WeakPolarHBondContact CD1-ND2 3.27Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.43Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.25Å; Y113-N117 PolarHBondContact O-N 3.43Å; Y113-N117 PolarHBondContact O-ND2 3.05Å; V114-N117 PolarHBondContact O-N 3.19Å; N117-F121 WeakPolarHBondContact O-CB 3.4Å; N117-F121 PolarHBondContact O-N 3.24Å
118F92.2Very high91.4Very high5 Ų522.4 Ų22.42%0.02211%0.111CC..Hα-helixtrans-65.5-44.8175.4-171.7-112.9000111.5I79 V114 I115 Y116 F121 L122 L221 K240 F241I79-F118 HydrophobicContact CD1-CB 4.1Å; I79-F118 HydrophobicContact CD1-CD2 4.04Å; V114-F118 WeakPolarHBondContact O-CB 3.42Å; V114-F118 PolarHBondContact O-N 3.22Å; I115-F118 PolarHBondContact O-N 2.86Å; Y116-F118 VanDerWaalsContact C-N 3.25Å; Y116-F118 PolarHBondContact O-N 3.41Å; F118-F121 HydrophobicContact CD2-CD1 4.3Å; F118-F121 HydrophobicContact CE2-CD1 4.33Å; F118-F121 WeakPolarHBondContact O-CB 3.24Å; F118-F121 PolarHBondContact O-N 2.93Å; F118-L122 HydrophobicContact CD1-CD1 4.28Å; F118-L122 HydrophobicContact CE1-CD1 3.71Å; F118-L122 HydrophobicContact CE1-CG 4.28Å; F118-L122 HydrophobicContact CE2-CD2 4.39Å; F118-L122 HydrophobicContact CZ-CD1 3.99Å; F118-L122 HydrophobicContact CZ-CD2 4.14Å; F118-L122 HydrophobicContact CZ-CG 4.22Å; F118-L122 WeakPolarHBondContact O-CG 3.3Å; F118-L122 PolarHBondContact O-N 3.47Å; F118-L122 VanDerWaalsContact O-N 3.08Å; F118-L221 HydrophobicContact CD1-CD1 3.86Å; F118-L221 HydrophobicContact CD1-CD2 4.02Å; F118-L221 HydrophobicContact CD1-CG 4.41Å; F118-L221 HydrophobicContact CE1-CD2 3.99Å; F118-K240 HydrophobicContact CE2-CB 4.15Å; F118-F241 AromaticContact CD1-CD2 3.97Å; F118-F241 HydrophobicContact CD1-CD2 3.97Å; F118-F241 HydrophobicContact CE1-CB 3.86Å; F118-F241 AromaticContact CE1-CD2 3.38Å; F118-F241 HydrophobicContact CE1-CD2 3.38Å; F118-F241 HydrophobicContact CE1-CE2 4.35Å; F118-F241 HydrophobicContact CE1-CG 4.03Å; F118-F241 HydrophobicContact CZ-CB 3.64Å; F118-F241 HydrophobicContact CZ-CD2 4.06Å; F118-F241 HydrophobicContact CZ-CG 4.32Å
119L92.1Very high91.3Very high6 Ų625.1 Ų25.13%0.03112%0.124CC..Hα-helixtrans-65.2-44.7175.3-177.861000112.2I115 Y116 F121 L122 L123 A169 L221 F224I115-L119 PolarHBondContact O-N 3.41Å; Y116-L119 PolarHBondContact O-N 3.42Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 2.84Å; L119-L123 HydrophobicContact CD1-CD1 4.29Å; L119-L123 HydrophobicContact CD1-CG 4.29Å; L119-L123 HydrophobicContact CD2-CD1 4.48Å; L119-L123 HydrophobicContact CG-CD1 3.92Å; L119-L123 HydrophobicContact CG-CG 4.39Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 2.89Å; L119-A169 HydrophobicContact CD2-CB 3.45Å; L119-A169 VanDerWaalsContact CD2-CB 3.45Å; L119-L221 HydrophobicContact CB-CD1 4.18Å; L119-F224 HydrophobicContact CD1-CB 4.46Å; L119-F224 HydrophobicContact CD1-CD1 3.6Å; L119-F224 HydrophobicContact CD1-CD2 4.42Å; L119-F224 HydrophobicContact CD1-CE1 3.86Å; L119-F224 HydrophobicContact CD1-CG 3.9Å; L119-F224 HydrophobicContact CD1-CZ 4.36Å
120A92.2Very high91.1Very high8 Ų826.7 Ų26.77%0.06613%0.127CC..Hα-helixtrans-59.8-40.7177.600000111.6H75 Y116 L123 N124H75-A120 VanDerWaalsContact CE1-CB 3.49Å; H75-A120 WeakPolarHBondContact CE1-CB 3.16Å; Y116-A120 HydrophobicContact CE1-CB 4.32Å; Y116-A120 WeakPolarHBondContact O-CB 3.11Å; Y116-A120 PolarHBondContact O-N 3.43Å; A120-L123 PolarHBondContact O-N 3.28Å; A120-N124 WeakPolarHBondContact O-CB 3.46Å; A120-N124 VanDerWaalsContact O-CG 3.24Å; A120-N124 PolarHBondContact O-N 3.28Å; A120-N124 PolarHBondContact O-ND2 3.42Å
121F91.7Very high90.8Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-58.1-51172.9167.7-115.7000112.5L72 H75 I76 N117 F118 L119 L123 N124 Y125 M235 K240 Y310L72-F121 HydrophobicContact CB-CD2 4.33Å; L72-F121 HydrophobicContact CB-CE2 4.17Å; L72-F121 HydrophobicContact CD2-CD2 4.31Å; L72-F121 HydrophobicContact CD2-CE2 4.46Å; H75-F121 HydrophobicContact CB-CB 3.74Å; I76-F121 HydrophobicContact CD1-CD2 4.34Å; I76-F121 HydrophobicContact CD1-CE2 3.59Å; I76-F121 HydrophobicContact CD1-CZ 3.97Å; I76-F121 HydrophobicContact CG1-CD2 3.88Å; I76-F121 HydrophobicContact CG1-CE2 3.58Å; I76-F121 HydrophobicContact CG1-CZ 3.99Å; N117-F121 WeakPolarHBondContact O-CB 3.4Å; N117-F121 PolarHBondContact O-N 3.24Å; F118-F121 HydrophobicContact CD2-CD1 4.3Å; F118-F121 HydrophobicContact CE2-CD1 4.33Å; F118-F121 WeakPolarHBondContact O-CB 3.24Å; F118-F121 PolarHBondContact O-N 2.93Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.3Å; F121-L123 VanDerWaalsContact C-N 3.33Å; F121-L123 PolarHBondContact O-N 3.39Å; F121-N124 PolarHBondContact O-N 3.47Å; F121-Y125 WeakPolarHBondContact O-CB 3.3Å; F121-Y125 PolarHBondContact O-N 3.37Å; F121-M235 HydrophobicContact CD1-CE 4.16Å; F121-M235 HydrophobicContact CE1-CE 3.28Å; F121-M235 HydrophobicContact CE1-SD 3.76Å; F121-M235 HydrophobicContact CE2-CE 4.44Å; F121-M235 HydrophobicContact CE2-SD 4Å; F121-M235 HydrophobicContact CZ-CE 3.47Å; F121-M235 VanDerWaalsContact CZ-CE 3.47Å; F121-M235 HydrophobicContact CZ-SD 3.23Å; F121-M235 WeakPolarHBondContact CZ-SD 3.39Å; F121-K240 HydrophobicContact CE1-CD 4.26Å; F121-Y310 HydrophobicContact CE2-CE1 4.4Å; F121-Y310 WeakPolarHBondContact CZ-OH 3.4Å
122L92.1Very high90.5Very high1 Ų135.1 Ų35.11%0.00518%0.18CC..Hα-helixtrans-63.2-40.6178.6-62.2-178.9000111.8F118 L119 Y125 L126 F224 L232 M235 P237F118-L122 HydrophobicContact CD1-CD1 4.28Å; F118-L122 HydrophobicContact CE1-CD1 3.71Å; F118-L122 HydrophobicContact CE1-CG 4.28Å; F118-L122 HydrophobicContact CE2-CD2 4.39Å; F118-L122 HydrophobicContact CZ-CD1 3.99Å; F118-L122 HydrophobicContact CZ-CD2 4.14Å; F118-L122 HydrophobicContact CZ-CG 4.22Å; F118-L122 WeakPolarHBondContact O-CG 3.3Å; F118-L122 PolarHBondContact O-N 3.47Å; F118-L122 VanDerWaalsContact O-N 3.08Å; L119-L122 PolarHBondContact O-N 2.84Å; L122-Y125 PolarHBondContact O-N 2.91Å; L122-L126 WeakPolarHBondContact O-CG 3.5Å; L122-L126 PolarHBondContact O-N 3.22Å; L122-F224 HydrophobicContact CB-CE1 3.75Å; L122-F224 HydrophobicContact CD1-CD1 4.23Å; L122-F224 HydrophobicContact CD1-CE1 4.14Å; L122-L232 HydrophobicContact CB-CD2 4.49Å; L122-L232 HydrophobicContact CD1-CD1 4.24Å; L122-L232 HydrophobicContact CD2-CD1 4.11Å; L122-L232 HydrophobicContact CD2-CD2 4.07Å; L122-M235 HydrophobicContact CD2-CE 3.59Å; L122-P237 HydrophobicContact CD2-CB 4.21Å
123L91.6Very high90.1Very high9 Ų935.3 Ų35.35%0.04718%0.181CC..Hα-helixtrans-64.2-44.1177.6-77.4169.8000112.2L119 A120 F121 L126 R127 I162 R166 F224L119-L123 HydrophobicContact CD1-CD1 4.29Å; L119-L123 HydrophobicContact CD1-CG 4.29Å; L119-L123 HydrophobicContact CD2-CD1 4.48Å; L119-L123 HydrophobicContact CG-CD1 3.92Å; L119-L123 HydrophobicContact CG-CG 4.39Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 2.89Å; A120-L123 PolarHBondContact O-N 3.28Å; F121-L123 VanDerWaalsContact C-N 3.33Å; F121-L123 PolarHBondContact O-N 3.39Å; L123-L126 PolarHBondContact O-N 3.12Å; L123-R127 WeakPolarHBondContact O-CB 3.17Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.42Å; L123-R127 PolarHBondContact O-N 2.86Å; L123-I162 HydrophobicContact CD2-CG2 3.6Å; L123-R166 HydrophobicContact CD1-CB 4.5Å; L123-F224 HydrophobicContact CD2-CE2 3.56Å; L123-F224 HydrophobicContact CD2-CZ 3.49Å; L123-F224 VanDerWaalsContact CD2-CZ 3.49Å; L123-F224 HydrophobicContact CG-CE2 4.34Å; L123-F224 HydrophobicContact CG-CZ 3.92Å
124N91.5Very high89.6Confident41 Ų4139.1 Ų39.122%0.21920%0.196CC..Hα-helixtrans-67-38.9179-72.8-16.3000111.5L71 L72 H75 A120 F121 R127 S128L71-N124 PolarHBondContact O-ND2 3.15Å; L72-N124 HydrophobicContact CD2-CB 3.81Å; H75-N124 PolarHBondContact CD2-ND2 3.03Å; H75-N124 PolarHBondContact NE2-ND2 3.46Å; A120-N124 WeakPolarHBondContact O-CB 3.46Å; A120-N124 VanDerWaalsContact O-CG 3.24Å; A120-N124 PolarHBondContact O-N 3.28Å; A120-N124 PolarHBondContact O-ND2 3.42Å; F121-N124 PolarHBondContact O-N 3.47Å; N124-R127 PolarHBondContact O-N 2.97Å; N124-S128 WeakPolarHBondContact O-CB 2.89Å; N124-S128 PolarHBondContact O-N 3.18Å
125Y90.8Very high89.1Confident22 Ų2245.9 Ų45.99%0.08622%0.222CC..Hα-helixtrans-59.7-51.1174.1175.7-90.5000110.9L72 F121 L122 R127 S128 E129 L232 M235L72-Y125 HydrophobicContact CD1-CD2 4.08Å; L72-Y125 VanDerWaalsContact CD2-N 3.32Å; F121-Y125 WeakPolarHBondContact O-CB 3.3Å; F121-Y125 PolarHBondContact O-N 3.37Å; L122-Y125 PolarHBondContact O-N 2.91Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-R127 PolarHBondContact O-N 3.48Å; Y125-S128 WeakPolarHBondContact O-CB 3.27Å; Y125-S128 PolarHBondContact O-N 2.86Å; Y125-S128 VanDerWaalsContact O-N 3.12Å; Y125-E129 HydrophobicContact CD1-CG 4.4Å; Y125-E129 HydrophobicContact CD2-CG 4.4Å; Y125-E129 HydrophobicContact CE1-CG 3.95Å; Y125-E129 HydrophobicContact CE2-CG 3.97Å; Y125-E129 PolarHBondContact O-N 3.35Å; Y125-L232 HydrophobicContact CD1-CD2 3.6Å; Y125-L232 HydrophobicContact CE1-CD2 4.07Å; Y125-M235 HydrophobicContact CD2-SD 3.65Å; Y125-M235 HydrophobicContact CE1-CB 4.41Å; Y125-M235 HydrophobicContact CE2-CB 4.16Å; Y125-M235 HydrophobicContact CE2-CG 4.44Å; Y125-M235 HydrophobicContact CE2-SD 3.97Å; Y125-M235 HydrophobicContact CG-CE 4.3Å; Y125-M235 HydrophobicContact CG-SD 3.93Å
126L90.7Very high88.8Confident0 Ų047.5 Ų47.50%023%0.232CC..Hα-helixtrans-64-36.1-179.5-72.3169000113.1L122 L123 S128 F130 L133 F224 T228 E231 L232L122-L126 WeakPolarHBondContact O-CG 3.5Å; L122-L126 PolarHBondContact O-N 3.22Å; L123-L126 PolarHBondContact O-N 3.12Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-F130 HydrophobicContact CD2-CD2 4.09Å; L126-F130 HydrophobicContact CD2-CE2 4.27Å; L126-F130 CarbonylContact O-C 3.46Å; L126-F130 WeakPolarHBondContact O-CA 3.38Å; L126-F130 WeakPolarHBondContact O-CB 3.28Å; L126-F130 PolarHBondContact O-N 2.71Å; L126-L133 HydrophobicContact CB-CD1 3.96Å; L126-L133 HydrophobicContact CB-CD2 3.62Å; L126-L133 HydrophobicContact CB-CG 4.4Å; L126-L133 HydrophobicContact CD1-CD1 4.41Å; L126-L133 HydrophobicContact CD2-CD1 4.31Å; L126-L133 HydrophobicContact CG-CD1 4.47Å; L126-F224 HydrophobicContact CD1-CE1 4.09Å; L126-F224 HydrophobicContact CD1-CE2 4.5Å; L126-F224 HydrophobicContact CD1-CZ 3.6Å; L126-T228 HydrophobicContact CD1-CG2 3.68Å; L126-E231 HydrophobicContact CD2-CB 3.4Å; L126-E231 VanDerWaalsContact CD2-CB 3.4Å; L126-E231 HydrophobicContact CD2-CG 4.4Å; L126-L232 HydrophobicContact CD1-CD1 4.44Å; L126-L232 HydrophobicContact CD1-CD2 4.02Å; L126-L232 HydrophobicContact CD1-CG 4.16Å; L126-L232 HydrophobicContact CD2-CD2 3.79Å; L126-L232 HydrophobicContact CD2-CG 3.97Å; L126-L232 HydrophobicContact CG-CD2 3.67Å; L126-L232 HydrophobicContact CG-CG 4.17Å
127R89.8Confident88.3Confident116 Ų11647 Ų4744%0.43823%0.23SC..Hα-helixtrans-68.8-30.2175.5-75172.9176.9-178.6-0.5112.8L123 N124 Y125 L133L123-R127 WeakPolarHBondContact O-CB 3.17Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.42Å; L123-R127 PolarHBondContact O-N 2.86Å; N124-R127 PolarHBondContact O-N 2.97Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-R127 PolarHBondContact O-N 3.48Å; R127-L133 HydrophobicContact CG-CD2 4.32Å
128S88.4Confident87.8Confident72 Ų7252.9 Ų52.950%0.50326%0.258SS..Hα-helixtrans-74-47.4177-168.20000111.3N124 Y125 L126N124-S128 WeakPolarHBondContact O-CB 2.89Å; N124-S128 PolarHBondContact O-N 3.18Å; Y125-S128 WeakPolarHBondContact O-CB 3.27Å; Y125-S128 PolarHBondContact O-N 2.86Å; Y125-S128 VanDerWaalsContact O-N 3.12Å; L126-S128 VanDerWaalsContact C-N 3.31Å
129E87.9Confident87.3Confident108 Ų10860.7 Ų60.751%0.50529%0.294SS..Hα-helixtrans-78.6-32.9-177.4-64.5-60128.700113Y125Y125-E129 HydrophobicContact CD1-CG 4.4Å; Y125-E129 HydrophobicContact CD2-CG 4.4Å; Y125-E129 HydrophobicContact CE1-CG 3.95Å; Y125-E129 HydrophobicContact CE2-CG 3.97Å; Y125-E129 PolarHBondContact O-N 3.35Å
130F88.3Confident86.8Confident69 Ų6962.4 Ų62.430%0.30330%0.301SS..  trans-126.788-176.9-54.9-85.5000110.1L126 D132 L133 E231L126-F130 HydrophobicContact CD2-CD2 4.09Å; L126-F130 HydrophobicContact CD2-CE2 4.27Å; L126-F130 CarbonylContact O-C 3.46Å; L126-F130 WeakPolarHBondContact O-CA 3.38Å; L126-F130 WeakPolarHBondContact O-CB 3.28Å; L126-F130 PolarHBondContact O-N 2.71Å; F130-D132 PolarHBondContact O-N 2.96Å; F130-L133 HydrophobicContact CB-CB 4.18Å; F130-L133 HydrophobicContact CB-CD1 4.45Å; F130-L133 WeakPolarHBondContact O-CB 3.46Å; F130-L133 PolarHBondContact O-N 3.33Å; F130-E231 HydrophobicContact CD2-CB 4.15Å; F130-E231 HydrophobicContact CD2-CG 4.34Å; F130-E231 HydrophobicContact CE1-CG 4.45Å; F130-E231 HydrophobicContact CE2-CB 3.57Å; F130-E231 HydrophobicContact CE2-CG 3.98Å; F130-E231 HydrophobicContact CZ-CB 3.96Å; F130-E231 HydrophobicContact CZ-CG 4.03Å
131P84.4Confident85.9Confident114 Ų11467.1 Ų67.174%0.7433%0.332SS*.THydrogen-bonded Turntrans-54.6-36.1174.8-26.835.2000112.5L133P131-L133 VanDerWaalsContact C-N 3.29Å; P131-L133 PolarHBondContact O-N 3.12Å
132D85.1Confident85.2Confident101 Ų10172.1 Ų72.154%0.5436%0.355SS..THydrogen-bonded Turntrans-89.522.4177.4-66.5-39.3000113.8F130 R134 Y135 V136F130-D132 PolarHBondContact O-N 2.96Å; D132-R134 PolarHBondContact O-N 3.44Å; D132-Y135 HydrophobicContact CB-CD2 3.94Å; D132-Y135 WeakPolarHBondContact O-CB 3.19Å; D132-Y135 PolarHBondContact O-N 3.16Å; D132-V136 PolarHBondContact O-N 3.25Å
133L84.3Confident84.2Confident6 Ų673.8 Ų73.83%0.03136%0.363CS..Hα-helixtrans-45.4-36.7-179.217965.5000113.3L126 R127 F130 P131 V136 I137 I162L126-L133 HydrophobicContact CB-CD1 3.96Å; L126-L133 HydrophobicContact CB-CD2 3.62Å; L126-L133 HydrophobicContact CB-CG 4.4Å; L126-L133 HydrophobicContact CD1-CD1 4.41Å; L126-L133 HydrophobicContact CD2-CD1 4.31Å; L126-L133 HydrophobicContact CG-CD1 4.47Å; R127-L133 HydrophobicContact CG-CD2 4.32Å; F130-L133 HydrophobicContact CB-CB 4.18Å; F130-L133 HydrophobicContact CB-CD1 4.45Å; F130-L133 WeakPolarHBondContact O-CB 3.46Å; F130-L133 PolarHBondContact O-N 3.33Å; P131-L133 VanDerWaalsContact C-N 3.29Å; P131-L133 PolarHBondContact O-N 3.12Å; L133-V136 PolarHBondContact O-N 3.28Å; L133-I137 HydrophobicContact CD1-CD1 3.69Å; L133-I137 HydrophobicContact CD1-CG1 4.13Å; L133-I137 HydrophobicContact CD2-CD1 4.47Å; L133-I137 HydrophobicContact CG-CD1 3.81Å; L133-I137 HydrophobicContact CG-CG1 4.49Å; L133-I137 WeakPolarHBondContact O-CB 3.48Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 3.13Å; L133-I162 HydrophobicContact CD2-CD1 4.31Å; L133-I162 HydrophobicContact CG-CD1 4.41Å
134R81.5Confident83Confident117 Ų11781.7 Ų81.744%0.44240%0.397SS..Hα-helixtrans-62.8-47.2179-64.7176.5-178.7149.12.6111.8D132 I137 E138 R159D132-R134 PolarHBondContact O-N 3.44Å; R134-I137 PolarHBondContact O-N 3.45Å; R134-E138 WeakPolarHBondContact O-CB 3.48Å; R134-E138 PolarHBondContact O-N 2.85Å; R134-R159 VanDerWaalsContact NH2-NH1 3.15Å
135Y82.2Confident82Confident144 Ų14480.3 Ų80.357%0.56539%0.389SS*.Hα-helixtrans-68.1-40178-63-72000111.2D132 I137 E138 Q139D132-Y135 HydrophobicContact CB-CD2 3.94Å; D132-Y135 WeakPolarHBondContact O-CB 3.19Å; D132-Y135 PolarHBondContact O-N 3.16Å; Y135-I137 VanDerWaalsContact C-N 3.33Å; Y135-I137 PolarHBondContact O-N 3.46Å; Y135-E138 PolarHBondContact O-N 3.47Å; Y135-Q139 WeakPolarHBondContact O-CG 3.3Å; Y135-Q139 PolarHBondContact O-N 2.81Å; Y135-Q139 VanDerWaalsContact O-N 3.1Å
136V83.1Confident81Confident48 Ų4881.2 Ų81.229%0.29140%0.395SS..Hα-helixtrans-59.9-44.3176.2177.20000111D132 L133D132-V136 PolarHBondContact O-N 3.25Å; L133-V136 PolarHBondContact O-N 3.28Å
137I82.7Confident79.3Confident0 Ų086.5 Ų86.50%043%0.429CS..Hα-helixtrans-72.8-34179.3-68.5173.1000111.5L133 R134 Y135 Q139 K140 M157 F161 I162 T228L133-I137 HydrophobicContact CD1-CD1 3.69Å; L133-I137 HydrophobicContact CD1-CG1 4.13Å; L133-I137 HydrophobicContact CD2-CD1 4.47Å; L133-I137 HydrophobicContact CG-CD1 3.81Å; L133-I137 HydrophobicContact CG-CG1 4.49Å; L133-I137 WeakPolarHBondContact O-CB 3.48Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 3.13Å; R134-I137 PolarHBondContact O-N 3.45Å; Y135-I137 VanDerWaalsContact C-N 3.33Å; Y135-I137 PolarHBondContact O-N 3.46Å; I137-Q139 VanDerWaalsContact C-N 3.3Å; I137-Q139 PolarHBondContact O-N 2.78Å; I137-K140 WeakPolarHBondContact O-CB 3.26Å; I137-K140 PolarHBondContact O-N 3.28Å; I137-M157 HydrophobicContact CG2-CE 4.05Å; I137-M157 WeakPolarHBondContact O-CE 3.49Å; I137-F161 HydrophobicContact CG2-CD1 4.39Å; I137-I162 HydrophobicContact CD1-CD1 3.58Å; I137-I162 HydrophobicContact CD1-CG1 3.81Å; I137-T228 HydrophobicContact CD1-CG2 4.03Å
138E81.9Confident77.7Confident124 Ų12485.8 Ų85.858%0.57944%0.44SS*.Hα-helixtrans-64.7-34.1177.4-174167.9-16200112.8R134 Y135 K140R134-E138 WeakPolarHBondContact O-CB 3.48Å; R134-E138 PolarHBondContact O-N 2.85Å; Y135-E138 PolarHBondContact O-N 3.47Å; E138-K140 PolarHBondContact O-N 3.46Å
139Q81.7Confident76.6Confident169 Ų16984.5 Ų84.579%0.7943%0.425SS*.THydrogen-bonded Turntrans-74.7-10.5175.6-68.2179.425.300113.8Y135 I137Y135-Q139 WeakPolarHBondContact O-CG 3.3Å; Y135-Q139 PolarHBondContact O-N 2.81Å; Y135-Q139 VanDerWaalsContact O-N 3.1Å; I137-Q139 VanDerWaalsContact C-N 3.3Å; I137-Q139 PolarHBondContact O-N 2.78Å
140K81.2Confident75.3Confident41 Ų4182.9 Ų82.918%0.17843%0.425CS..SBendtrans-77.1150.3179.2-73.2-168.8-178.3-162.10111.8I137 E138 M157 C227 E231I137-K140 WeakPolarHBondContact O-CB 3.26Å; I137-K140 PolarHBondContact O-N 3.28Å; E138-K140 PolarHBondContact O-N 3.46Å; K140-M157 HydrophobicContact CB-CE 3.63Å; K140-C227 PolarHBondContact NZ-O 3.44Å; K140-E231 WeakPolarHBondContact CE-OE1 3.44Å; K140-E231 IonicContact NZ-OE1 3.49Å; K140-E231 PolarHBondContact NZ-OE1 3.27Å; K140-E231 IonicContact NZ-OE2 3.36Å; K140-E231 PolarHBondContact NZ-OE2 3.04Å
141P74.2Confident73.7Confident108 Ų10888.6 Ų88.670%0.70145%0.45SS*.PPolyproline II helixtrans-58.1145.8174.525.9-35.2000110.7M143 M157P141-M143 PolarHBondContact O-N 2.79Å; P141-M143 VanDerWaalsContact O-N 3.17Å; P141-M157 WeakPolarHBondContact O-CE 3.38Å
142Q75.1Confident72.5Confident105 Ų10589 Ų8949%0.49144%0.44SS..PPolyproline II helixtrans-53.3122.6176.9-65.2-70-41.400110K144 W155 M157Q142-K144 PolarHBondContact O-N 2.93Å; Q142-K144 VanDerWaalsContact O-N 3.13Å; Q142-W155 PolarHBondContact OE1-O 2.86Å; Q142-W155 VanDerWaalsContact OE1-O 3.07Å; Q142-M157 HydrophobicContact CG-CG 4.46Å
143M71.3Confident71.3Confident35 Ų3589.2 Ų89.217%0.17245%0.45CS..  trans-76.6104.1-179.7-70.4-69.3-82.100109.2P141 H145 M157 F161 M223 R226 C227P141-M143 PolarHBondContact O-N 2.79Å; P141-M143 VanDerWaalsContact O-N 3.17Å; M143-H145 PolarHBondContact O-N 2.84Å; M143-M157 HydrophobicContact CB-SD 4.14Å; M143-M157 HydrophobicContact CG-CE 3.85Å; M143-M157 HydrophobicContact CG-SD 3.86Å; M143-F161 HydrophobicContact CB-CE2 4.49Å; M143-M223 HydrophobicContact CB-CE 4.02Å; M143-R226 HydrophobicContact CE-CB 3.52Å; M143-C227 HydrophobicContact CE-CB 4.02Å; M143-C227 HydrophobicContact CG-CB 4.29Å
144K67.6Low70.5Confident176 Ų17691.3 Ų91.377%0.76547%0.465SS*.PPolyproline II helixtrans-62.3135.7171.3-65.1-175.2179.4-176.80109.7Q142 L146Q142-K144 PolarHBondContact O-N 2.93Å; Q142-K144 VanDerWaalsContact O-N 3.13Å; K144-L146 PolarHBondContact O-N 3.44Å
145H71Confident70.2Confident12 Ų1287.7 Ų87.76%0.05645%0.451CS..PPolyproline II helixtrans-58.6134.4173.8-73.4-78.2000110.9M143 F149 F152 S153 W155 Y219M143-H145 PolarHBondContact O-N 2.84Å; H145-F149 HydrophobicContact CB-CB 4.34Å; H145-F149 WeakPolarHBondContact CB-O 3.33Å; H145-F152 PolarHBondContact CD2-O 3.3Å; H145-S153 PolarHBondContact NE2-O 3.15Å; H145-S153 VanDerWaalsContact NE2-O 3.14Å; H145-W155 AromaticContact CE1-CD2 3.98Å; H145-W155 AromaticContact CE1-CE2 3.73Å; H145-W155 AromaticContact CE1-CZ2 3.99Å; H145-W155 AromaticContact CE1-NE1 3.96Å; H145-Y219 VanDerWaalsContact CA-OH 3.27Å; H145-Y219 WeakPolarHBondContact CA-OH 3.35Å; H145-Y219 WeakPolarHBondContact CB-OH 3.43Å; H145-Y219 AromaticContact ND1-CE1 3.82Å; H145-Y219 AromaticContact ND1-CZ 3.73Å; H145-Y219 PolarHBondContact ND1-OH 2.94Å
146L69.4Low69.9Low41 Ų4188.5 Ų88.522%0.21546%0.458CS..PPolyproline II helixtrans-68.2151.4172.6-78.368.4000110.3K144 F149 Y219 M223 R226K144-L146 PolarHBondContact O-N 3.44Å; L146-F149 PolarHBondContact O-N 2.88Å; L146-Y219 HydrophobicContact CB-CE2 4.16Å; L146-Y219 PolarHBondContact N-OH 3.25Å; L146-M223 HydrophobicContact CD1-SD 3.48Å; L146-M223 WeakPolarHBondContact CD1-SD 3.18Å; L146-R226 VanDerWaalsContact CD2-NH1 3.35Å; L146-R226 VanDerWaalsContact CG-NH1 3.34Å
147P53.3Low69.7Low110 Ų11086.9 Ų86.971%0.71445%0.447SS*.THydrogen-bonded Turntrans-53.4137.3163.6-20.632000110.2
148P58Low69.7Low101 Ų10186.9 Ų86.966%0.65645%0.448SS*.THydrogen-bonded Turncis-90.11.910.534.5-34.7000115.6C150P148-C150 VanDerWaalsContact C-N 3.3Å; P148-C150 PolarHBondContact O-N 2.76Å
149F65.2Low69.7Low46 Ų4686.9 Ų86.920%0.20244%0.442CS..SBendtrans-8918.4-175.1-63.8-60.6000114.4H145 L146 F151 F152 W216 Y219H145-F149 HydrophobicContact CB-CB 4.34Å; H145-F149 WeakPolarHBondContact CB-O 3.33Å; L146-F149 PolarHBondContact O-N 2.88Å; F149-F151 PolarHBondContact O-N 3.35Å; F149-F152 HydrophobicContact CB-CD2 3.9Å; F149-F152 AromaticContact CD1-CD2 3.71Å; F149-F152 HydrophobicContact CD1-CD2 3.71Å; F149-F152 AromaticContact CD1-CE2 3.55Å; F149-F152 HydrophobicContact CD1-CE2 3.55Å; F149-F152 HydrophobicContact CE1-CE2 4.22Å; F149-F152 HydrophobicContact CG-CD2 4.25Å; F149-F152 PolarHBondContact O-N 3.47Å; F149-W216 HydrophobicContact CE1-CZ3 4.44Å; F149-W216 HydrophobicContact CE2-CE3 4.36Å; F149-W216 HydrophobicContact CZ-CE3 4.21Å; F149-W216 HydrophobicContact CZ-CZ3 4.42Å; F149-Y219 HydrophobicContact CB-CE2 4.39Å; F149-Y219 HydrophobicContact CD2-CD1 4.21Å; F149-Y219 AromaticContact CD2-CD2 3.74Å; F149-Y219 HydrophobicContact CD2-CD2 3.74Å; F149-Y219 HydrophobicContact CD2-CE1 4.15Å; F149-Y219 AromaticContact CD2-CE2 3.64Å; F149-Y219 HydrophobicContact CD2-CE2 3.64Å; F149-Y219 HydrophobicContact CD2-CG 4.01Å; F149-Y219 AromaticContact CD2-CZ 3.85Å; F149-Y219 HydrophobicContact CE2-CD2 4.15Å; F149-Y219 HydrophobicContact CE2-CE2 4.49Å; F149-Y219 HydrophobicContact CE2-CG 4.15Å; F149-Y219 HydrophobicContact CG-CE2 4.48Å
150C60.3Low69.8Low73 Ų7381.8 Ų81.849%0.49342%0.423SS..THydrogen-bonded Turntrans-60.3-20-177.257.40000114.3P148 F152P148-C150 VanDerWaalsContact C-N 3.3Å; P148-C150 PolarHBondContact O-N 2.76Å; C150-F152 VanDerWaalsContact C-N 3.32Å
151F54.7Low70.1Confident190 Ų19080 Ų8083%0.83342%0.415SS*.THydrogen-bonded Turntrans-76.8-15.1177-58.1-70.4000113.9F149F149-F151 PolarHBondContact O-N 3.35Å
152F59.4Low70.8Confident122 Ų12275.2 Ų75.254%0.53538%0.383SS..SBendtrans-78.7139.3180-74.4-73.8000111.4H145 F149 C150 S154H145-F152 PolarHBondContact CD2-O 3.3Å; F149-F152 HydrophobicContact CB-CD2 3.9Å; F149-F152 AromaticContact CD1-CD2 3.71Å; F149-F152 HydrophobicContact CD1-CD2 3.71Å; F149-F152 AromaticContact CD1-CE2 3.55Å; F149-F152 HydrophobicContact CD1-CE2 3.55Å; F149-F152 HydrophobicContact CE1-CE2 4.22Å; F149-F152 HydrophobicContact CG-CD2 4.25Å; F149-F152 PolarHBondContact O-N 3.47Å; C150-F152 VanDerWaalsContact C-N 3.32Å; F152-S154 PolarHBondContact O-N 3.18Å
153S58.8Low71.4Confident106 Ų10672.4 Ų72.474%0.74137%0.372SS*.PPolyproline II helixtrans-57.2130.2175.9-175.60000110H145 W155H145-S153 PolarHBondContact NE2-O 3.15Å; H145-S153 VanDerWaalsContact NE2-O 3.14Å; S153-W155 PolarHBondContact O-N 3.45Å
154S68.8Low72.2Confident50 Ų5074.6 Ų74.635%0.3538%0.381SS..PPolyproline II helixtrans-61130.7-178.7-61.30000110.3F152F152-S154 PolarHBondContact O-N 3.18Å
155W74.9Confident73.3Confident40 Ų4066.2 Ų66.215%0.15235%0.345CS..PPolyproline II helixtrans-65.2136.6176.5-63.5-23.4000111.2Q142 H145 S153 M157 F161 H164 W216Q142-W155 PolarHBondContact OE1-O 2.86Å; Q142-W155 VanDerWaalsContact OE1-O 3.07Å; H145-W155 AromaticContact CE1-CD2 3.98Å; H145-W155 AromaticContact CE1-CE2 3.73Å; H145-W155 AromaticContact CE1-CZ2 3.99Å; H145-W155 AromaticContact CE1-NE1 3.96Å; S153-W155 PolarHBondContact O-N 3.45Å; W155-M157 PolarHBondContact O-N 3.26Å; W155-F161 HydrophobicContact CB-CD2 4.34Å; W155-F161 AromaticContact CE3-CD2 3.8Å; W155-F161 HydrophobicContact CE3-CD2 3.8Å; W155-F161 AromaticContact CE3-CE2 3.96Å; W155-F161 HydrophobicContact CE3-CE2 3.96Å; W155-F161 HydrophobicContact CZ3-CE2 4.41Å; W155-H164 HydrophobicContact CD2-CB 4.01Å; W155-H164 HydrophobicContact CE3-CB 3.9Å; W155-H164 HydrophobicContact CH2-CB 4.41Å; W155-H164 HydrophobicContact CZ2-CB 4.48Å; W155-H164 HydrophobicContact CZ3-CB 4.11Å; W155-W216 HydrophobicContact CH2-CH2 4.4Å; W155-W216 HydrophobicContact CH2-CZ2 4.17Å; W155-W216 AromaticContact CZ2-CH2 3.9Å; W155-W216 HydrophobicContact CZ2-CH2 3.9Å; W155-W216 AromaticContact CZ2-CZ2 3.8Å; W155-W216 HydrophobicContact CZ2-CZ2 3.8Å
156K74.6Confident74.2Confident161 Ų16167.2 Ų67.270%0.735%0.348SS*.PPolyproline II helixtrans-54.8124.6171-67.3-175.6179.2-178.60109.3V160 F161K156-V160 HydrophobicContact CB-CB 4.29Å; K156-V160 HydrophobicContact CB-CG1 4.34Å; K156-F161 PolarHBondContact O-N 3.02Å; K156-F161 VanDerWaalsContact O-N 3.13Å
157M79.4Confident75.2Confident14 Ų1466.7 Ų66.77%0.06935%0.345CS..THydrogen-bonded Turntrans-61.3169.2175.7-64.9-63.3-7600112.1I137 K140 P141 Q142 M143 W155 F161I137-M157 HydrophobicContact CG2-CE 4.05Å; I137-M157 WeakPolarHBondContact O-CE 3.49Å; K140-M157 HydrophobicContact CB-CE 3.63Å; P141-M157 WeakPolarHBondContact O-CE 3.38Å; Q142-M157 HydrophobicContact CG-CG 4.46Å; M143-M157 HydrophobicContact CB-SD 4.14Å; M143-M157 HydrophobicContact CG-CE 3.85Å; M143-M157 HydrophobicContact CG-SD 3.86Å; W155-M157 PolarHBondContact O-N 3.26Å; M157-F161 HydrophobicContact SD-CD2 4.47Å
158G82.3Confident76.9Confident1 Ų161.7 Ų61.71%0.0131%0.313CS..THydrogen-bonded Turntrans86.7-137.1-177.300000112.7V160 F161 I162G158-V160 VanDerWaalsContact C-N 3.34Å; G158-V160 PolarHBondContact O-N 3.46Å; G158-F161 PolarHBondContact O-N 2.98Å; G158-I162 PolarHBondContact O-N 3.36Å
159R82.7Confident78.4Confident124 Ų12457 Ų5747%0.46828%0.282SS..Hα-helixtrans-58.9-44.3-177175.4-173.6-61.7-88.49.3112.5R134 F161 I162 D163R134-R159 VanDerWaalsContact NH2-NH1 3.15Å; R159-F161 VanDerWaalsContact C-N 3.32Å; R159-F161 PolarHBondContact O-N 2.84Å; R159-I162 PolarHBondContact O-N 2.94Å; R159-I162 VanDerWaalsContact O-N 3.15Å; R159-D163 WeakPolarHBondContact CG-OD2 3.33Å; R159-D163 PolarHBondContact O-N 3.34Å
160V84.2Confident79.7Confident62 Ų6254.8 Ų54.838%0.37627%0.273SS..Hα-helixtrans-58.9-47.6-174.5178.50000109.8K156 G158 I162 D163 H164K156-V160 HydrophobicContact CB-CB 4.29Å; K156-V160 HydrophobicContact CB-CG1 4.34Å; G158-V160 VanDerWaalsContact C-N 3.34Å; G158-V160 PolarHBondContact O-N 3.46Å; V160-I162 PolarHBondContact O-N 3.34Å; V160-D163 PolarHBondContact O-N 3.41Å; V160-H164 WeakPolarHBondContact CG1-CE1 3.34Å; V160-H164 WeakPolarHBondContact CG1-ND1 3.27Å; V160-H164 WeakPolarHBondContact O-CB 3.36Å; V160-H164 PolarHBondContact O-N 3.37Å; V160-H164 PolarHBondContact O-ND1 3.38Å
161F87.6Confident81.3Confident2 Ų253.7 Ų53.71%0.00926%0.261CS..Hα-helixtrans-56.6-46.5175.5177-95.8000113.4I137 M143 W155 K156 M157 G158 R159 H164 C165 M223 F224 C227I137-F161 HydrophobicContact CG2-CD1 4.39Å; M143-F161 HydrophobicContact CB-CE2 4.49Å; W155-F161 HydrophobicContact CB-CD2 4.34Å; W155-F161 AromaticContact CE3-CD2 3.8Å; W155-F161 HydrophobicContact CE3-CD2 3.8Å; W155-F161 AromaticContact CE3-CE2 3.96Å; W155-F161 HydrophobicContact CE3-CE2 3.96Å; W155-F161 HydrophobicContact CZ3-CE2 4.41Å; K156-F161 PolarHBondContact O-N 3.02Å; K156-F161 VanDerWaalsContact O-N 3.13Å; M157-F161 HydrophobicContact SD-CD2 4.47Å; G158-F161 PolarHBondContact O-N 2.98Å; R159-F161 VanDerWaalsContact C-N 3.32Å; R159-F161 PolarHBondContact O-N 2.84Å; F161-H164 PolarHBondContact O-N 2.84Å; F161-C165 VanDerWaalsContact CZ-SG 3.56Å; F161-C165 PolarHBondContact O-N 3.4Å; F161-C165 PolarHBondContact O-SG 2.84Å; F161-M223 HydrophobicContact CE2-CB 4.48Å; F161-M223 HydrophobicContact CE2-CE 4.37Å; F161-M223 HydrophobicContact CZ-CB 4.3Å; F161-F224 HydrophobicContact CE1-CD2 4.43Å; F161-C227 HydrophobicContact CE1-CB 3.54Å; F161-C227 HydrophobicContact CZ-CB 3.75Å
162I88.3Confident83.1Confident9 Ų944.7 Ų44.75%0.04622%0.221CC..Hα-helixtrans-62.5-45.5179.4-61.3171000110.6L123 L133 I137 G158 R159 V160 C165 R166L123-I162 HydrophobicContact CD2-CG2 3.6Å; L133-I162 HydrophobicContact CD2-CD1 4.31Å; L133-I162 HydrophobicContact CG-CD1 4.41Å; I137-I162 HydrophobicContact CD1-CD1 3.58Å; I137-I162 HydrophobicContact CD1-CG1 3.81Å; G158-I162 PolarHBondContact O-N 3.36Å; R159-I162 PolarHBondContact O-N 2.94Å; R159-I162 VanDerWaalsContact O-N 3.15Å; V160-I162 PolarHBondContact O-N 3.34Å; I162-C165 PolarHBondContact O-N 3.17Å; I162-R166 WeakPolarHBondContact O-CB 3.26Å; I162-R166 PolarHBondContact O-N 3.03Å
163D87.6Confident84.6Confident46 Ų4639.5 Ų39.525%0.24620%0.199CC..Hα-helixtrans-66.8-38.2-178.9-69.4-20.6000111.1R159 V160 R166 H167R159-D163 WeakPolarHBondContact CG-OD2 3.33Å; R159-D163 PolarHBondContact O-N 3.34Å; V160-D163 PolarHBondContact O-N 3.41Å; D163-R166 PolarHBondContact O-N 2.74Å; D163-H167 WeakPolarHBondContact O-CB 3.28Å; D163-H167 PolarHBondContact O-CD2 3.11Å; D163-H167 PolarHBondContact O-N 3.01Å
164H88.5Confident86.2Confident80 Ų8036.6 Ų36.637%0.3718%0.177SC..Hα-helixtrans-63.3-44.5172.7-77.978000112.1W155 V160 F161 R166 H167 G168W155-H164 HydrophobicContact CD2-CB 4.01Å; W155-H164 HydrophobicContact CE3-CB 3.9Å; W155-H164 HydrophobicContact CH2-CB 4.41Å; W155-H164 HydrophobicContact CZ2-CB 4.48Å; W155-H164 HydrophobicContact CZ3-CB 4.11Å; V160-H164 WeakPolarHBondContact CG1-CE1 3.34Å; V160-H164 WeakPolarHBondContact CG1-ND1 3.27Å; V160-H164 WeakPolarHBondContact O-CB 3.36Å; V160-H164 PolarHBondContact O-N 3.37Å; V160-H164 PolarHBondContact O-ND1 3.38Å; F161-H164 PolarHBondContact O-N 2.84Å; H164-R166 VanDerWaalsContact C-N 3.35Å; H164-R166 PolarHBondContact O-N 3.14Å; H164-H167 PolarHBondContact O-N 3.27Å; H164-G168 PolarHBondContact O-N 3.06Å
165C89.4Confident87.4Confident0 Ų035.9 Ų35.90%017%0.169CC..Hα-helixtrans-63.6-41.6176.8-66.80000111.6F161 I162 G168 A169 F224F161-C165 VanDerWaalsContact CZ-SG 3.56Å; F161-C165 PolarHBondContact O-N 3.4Å; F161-C165 PolarHBondContact O-SG 2.84Å; I162-C165 PolarHBondContact O-N 3.17Å; C165-G168 PolarHBondContact O-N 3.44Å; C165-A169 PolarHBondContact O-N 2.76Å; C165-F224 HydrophobicContact CB-CB 4.06Å; C165-F224 HydrophobicContact CB-CD2 4.21Å; C165-F224 HydrophobicContact CB-CG 4.5Å
166R89.9Confident88.1Confident34 Ų3435.5 Ų35.513%0.12817%0.167CC..Hα-helixtrans-61.2-51.2175.8-178.5176.3171.3-138.70.8111.5L123 I162 D163 H164 G168 A169 L170 D336 E339L123-R166 HydrophobicContact CD1-CB 4.5Å; I162-R166 WeakPolarHBondContact O-CB 3.26Å; I162-R166 PolarHBondContact O-N 3.03Å; D163-R166 PolarHBondContact O-N 2.74Å; H164-R166 VanDerWaalsContact C-N 3.35Å; H164-R166 PolarHBondContact O-N 3.14Å; R166-G168 VanDerWaalsContact C-N 3.34Å; R166-G168 PolarHBondContact O-N 3.47Å; R166-A169 PolarHBondContact O-N 3.37Å; R166-L170 WeakPolarHBondContact O-CB 3.3Å; R166-L170 PolarHBondContact O-N 2.9Å; R166-D336 IonicContact CZ-OD1 3.46Å; R166-D336 IonicContact CZ-OD2 2.7Å; R166-D336 IonicContact NE-OD2 3.05Å; R166-D336 PolarHBondContact NE-OD2 3.3Å; R166-D336 IonicContact NH2-OD1 2.77Å; R166-D336 PolarHBondContact NH2-OD1 2.96Å; R166-D336 IonicContact NH2-OD2 3.9Å; R166-D336 PolarHBondContact NH2-OD2 3.03Å; R166-E339 IonicContact CZ-OE2 3.49Å; R166-E339 IonicContact NH1-OE2 2.69Å; R166-E339 PolarHBondContact NH1-OE2 3.33Å; R166-E339 IonicContact NH2-OE2 2.73Å; R166-E339 PolarHBondContact NH2-OE2 2.69Å
167H90.6Very high89Confident30 Ų3030.8 Ų30.814%0.13915%0.153CC..Hα-helixtrans-66.3-35.5178.7-72.7-48.7000112.6D163 H164 L170 Q171 H340 H343D163-H167 WeakPolarHBondContact O-CB 3.28Å; D163-H167 PolarHBondContact O-CD2 3.11Å; D163-H167 PolarHBondContact O-N 3.01Å; H164-H167 PolarHBondContact O-N 3.27Å; H167-L170 PolarHBondContact O-N 3.47Å; H167-Q171 WeakPolarHBondContact O-CB 3.47Å; H167-Q171 PolarHBondContact O-N 3.02Å; H167-H340 AromaticContact CE1-ND1 3.97Å; H167-H340 AromaticContact CG-ND1 3.5Å; H167-H340 AromaticContact ND1-CG 3.63Å; H167-H340 AromaticContact ND1-ND1 2.97Å; H167-H340 PolarHBondContact ND1-ND1 2.94Å; H167-H340 PolarHBondContact O-CE1 3.35Å; H167-H340 VanDerWaalsContact O-CE1 3.25Å; H167-H343 AromaticContact NE2-CG 3.93Å
168G90.2Very high89.6Confident5 Ų534.9 Ų34.95%0.05218%0.175CC..Hα-helixtrans-66.1-41.1177.100000113.6H164 C165 R166H164-G168 PolarHBondContact O-N 3.06Å; C165-G168 PolarHBondContact O-N 3.44Å; R166-G168 VanDerWaalsContact C-N 3.34Å; R166-G168 PolarHBondContact O-N 3.47Å
169A90.1Very high90.1Very high1 Ų135.1 Ų35.11%0.00818%0.176CC..Hα-helixtrans-71.5-40.1174.600000112.4I115 L119 C165 R166 Q171 Y172I115-A169 HydrophobicContact CG2-CB 4.44Å; L119-A169 HydrophobicContact CD2-CB 3.45Å; L119-A169 VanDerWaalsContact CD2-CB 3.45Å; C165-A169 PolarHBondContact O-N 2.76Å; R166-A169 PolarHBondContact O-N 3.37Å; A169-Q171 VanDerWaalsContact C-N 3.28Å; A169-Q171 PolarHBondContact O-N 2.92Å; A169-Y172 PolarHBondContact O-N 3.48Å
170L91.4Very high90.5Very high1 Ų130.4 Ų30.41%0.00516%0.161CC..Hα-helixtrans-67.7-27.8-180-175.962.3000113Y116 R166 H167 Y172 T173 V174 D336 V337 H340Y116-L170 HydrophobicContact CD2-CD1 3.73Å; Y116-L170 HydrophobicContact CE2-CD1 4.02Å; R166-L170 WeakPolarHBondContact O-CB 3.3Å; R166-L170 PolarHBondContact O-N 2.9Å; H167-L170 PolarHBondContact O-N 3.47Å; L170-Y172 VanDerWaalsContact C-N 3.28Å; L170-Y172 PolarHBondContact O-N 3.47Å; L170-T173 WeakPolarHBondContact O-CB 3.48Å; L170-T173 PolarHBondContact O-N 2.86Å; L170-T173 VanDerWaalsContact O-N 3.15Å; L170-V174 PolarHBondContact O-N 2.83Å; L170-V174 VanDerWaalsContact O-N 3.13Å; L170-D336 HydrophobicContact CD2-CB 4.08Å; L170-D336 VanDerWaalsContact CD2-O 3.27Å; L170-D336 WeakPolarHBondContact CD2-O 3.42Å; L170-V337 HydrophobicContact CD1-CG2 3.76Å; L170-H340 HydrophobicContact CD2-CB 3.4Å; L170-H340 VanDerWaalsContact CD2-CB 3.4Å; L170-H340 HydrophobicContact CG-CB 4.24Å
171Q93.1Very high90.9Very high50 Ų5029.5 Ų29.523%0.23416%0.16CC..Hα-helixtrans-54.6-44.5175.1177.9-114.115.700111.3H167 A169 T173 V174 I175 S213H167-Q171 WeakPolarHBondContact O-CB 3.47Å; H167-Q171 PolarHBondContact O-N 3.02Å; A169-Q171 VanDerWaalsContact C-N 3.28Å; A169-Q171 PolarHBondContact O-N 2.92Å; Q171-T173 PolarHBondContact O-N 3.43Å; Q171-V174 PolarHBondContact O-N 2.92Å; Q171-I175 VanDerWaalsContact CD-CD1 3.4Å; Q171-I175 HydrophobicContact CG-CD1 3.55Å; Q171-I175 HydrophobicContact CG-CG1 4.23Å; Q171-I175 WeakPolarHBondContact O-CB 3.29Å; Q171-I175 VanDerWaalsContact O-CG1 3.3Å; Q171-I175 WeakPolarHBondContact O-CG1 3.39Å; Q171-I175 PolarHBondContact O-N 3.12Å; Q171-S213 PolarHBondContact OE1-OG 3.45Å
172Y92.7Very high91.2Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-64.9-40177.5178.6-118.9000112.9A112 I115 A169 L170 V174 I175 R176 S213 Q214 A217A112-Y172 VanDerWaalsContact CA-CE1 3.46Å; A112-Y172 HydrophobicContact CB-CD1 3.51Å; A112-Y172 HydrophobicContact CB-CE1 3.39Å; A112-Y172 HydrophobicContact CB-CG 4.29Å; I115-Y172 HydrophobicContact CD1-CD1 3.88Å; I115-Y172 HydrophobicContact CD1-CE1 3.82Å; A169-Y172 PolarHBondContact O-N 3.48Å; L170-Y172 VanDerWaalsContact C-N 3.28Å; L170-Y172 PolarHBondContact O-N 3.47Å; Y172-V174 PolarHBondContact O-N 3.34Å; Y172-I175 PolarHBondContact O-N 2.92Å; Y172-R176 HydrophobicContact CE2-CB 4.31Å; Y172-R176 WeakPolarHBondContact O-CB 3.19Å; Y172-R176 PolarHBondContact O-N 3.18Å; Y172-R176 PolarHBondContact OH-NH1 3.38Å; Y172-S213 WeakPolarHBondContact CA-OG 3.36Å; Y172-Q214 HydrophobicContact CD2-CB 4.06Å; Y172-Q214 HydrophobicContact CE1-CG 4.27Å; Y172-Q214 HydrophobicContact CE2-CB 3.63Å; Y172-Q214 HydrophobicContact CE2-CG 4.09Å; Y172-A217 HydrophobicContact CG-CB 4.21Å
173T92Very high91.3Very high14 Ų1433 Ų339%0.08618%0.181CC..Hα-helixtrans-60.8-29.9175.4-49.10000113.2A112 L170 Q171 P177 M333A112-T173 PolarHBondContact O-OG1 3.28Å; L170-T173 WeakPolarHBondContact O-CB 3.48Å; L170-T173 PolarHBondContact O-N 2.86Å; L170-T173 VanDerWaalsContact O-N 3.15Å; Q171-T173 PolarHBondContact O-N 3.43Å; T173-P177 WeakPolarHBondContact O-CD 3.44Å; T173-P177 WeakPolarHBondContact O-CG 3.35Å; T173-M333 HydrophobicContact CG2-CE 3.35Å; T173-M333 HydrophobicContact CG2-SD 3.98Å
174V92.6Very high91.4Very high44 Ų4435 Ų3527%0.26719%0.191SC..Hα-helixtrans-88.9-42.4177.8177.10000111.6L170 Q171 Y172 R176 P177 L178 V337L170-V174 PolarHBondContact O-N 2.83Å; L170-V174 VanDerWaalsContact O-N 3.13Å; Q171-V174 PolarHBondContact O-N 2.92Å; Y172-V174 PolarHBondContact O-N 3.34Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 3.44Å; V174-P177 WeakPolarHBondContact O-CD 3.47Å; V174-L178 PolarHBondContact O-N 3.34Å; V174-V337 HydrophobicContact CG2-CB 4.45Å; V174-V337 HydrophobicContact CG2-CG1 3.85Å; V174-V337 HydrophobicContact CG2-CG2 3.98Å
175I93.4Very high91.5Very high35 Ų3535.8 Ų35.818%0.17920%0.197CC..Hα-helixtrans-64.4-39.7-179-74-178.9000110.8Q171 Y172 L178 T179 I209Q171-I175 VanDerWaalsContact CD-CD1 3.4Å; Q171-I175 HydrophobicContact CG-CD1 3.55Å; Q171-I175 HydrophobicContact CG-CG1 4.23Å; Q171-I175 WeakPolarHBondContact O-CB 3.29Å; Q171-I175 VanDerWaalsContact O-CG1 3.3Å; Q171-I175 WeakPolarHBondContact O-CG1 3.39Å; Q171-I175 PolarHBondContact O-N 3.12Å; Y172-I175 PolarHBondContact O-N 2.92Å; I175-L178 WeakPolarHBondContact O-CB 3.41Å; I175-L178 PolarHBondContact O-N 2.84Å; I175-L178 VanDerWaalsContact O-N 3.16Å; I175-T179 HydrophobicContact CG2-CG2 3.82Å; I175-T179 WeakPolarHBondContact O-CG2 3.13Å; I175-T179 PolarHBondContact O-N 3.39Å; I175-T179 PolarHBondContact O-OG1 2.96Å; I175-I209 HydrophobicContact CG2-CG2 3.96Å
176R90.5Very high91.5Very high32 Ų3236.8 Ų36.812%0.12120%0.204CC..Hα-helixtrans-63.8-50.4-173.3-172.159.1174.1-109.522113.6E108 A112 Y172 V174 L178 T179 T180E108-R176 IonicContact OE2-CZ 2.62Å; E108-R176 IonicContact OE2-NH1 2.87Å; E108-R176 PolarHBondContact OE2-NH1 3.39Å; E108-R176 IonicContact OE2-NH2 3.8Å; E108-R176 PolarHBondContact OE2-NH2 3.34Å; A112-R176 HydrophobicContact CB-CB 4.06Å; A112-R176 HydrophobicContact CB-CG 4.47Å; Y172-R176 HydrophobicContact CE2-CB 4.31Å; Y172-R176 WeakPolarHBondContact O-CB 3.19Å; Y172-R176 PolarHBondContact O-N 3.18Å; Y172-R176 PolarHBondContact OH-NH1 3.38Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 3.44Å; R176-L178 PolarHBondContact O-N 3.05Å; R176-T179 PolarHBondContact O-N 3.33Å; R176-T179 PolarHBondContact O-OG1 3.31Å; R176-T180 PolarHBondContact O-N 3.28Å; R176-T180 PolarHBondContact O-OG1 3.15Å
177P92.1Very high91.4Very high63 Ų6340 Ų4041%0.40922%0.22SC..Hα-helixtrans-61.2-33.7172.9-24.535.1000113.2T173 V174 T180 A181T173-P177 WeakPolarHBondContact O-CD 3.44Å; T173-P177 WeakPolarHBondContact O-CG 3.35Å; V174-P177 WeakPolarHBondContact O-CD 3.47Å; P177-T180 WeakPolarHBondContact O-CB 3.24Å; P177-T180 PolarHBondContact O-N 3.45Å; P177-A181 PolarHBondContact O-N 2.97Å
178L93.2Very high91.3Very high99 Ų9945.9 Ų45.952%0.51825%0.25SC..Hα-helixtrans-66.9-45.7177.5179.461.7000111.5V174 I175 R176 T180 A181 I182V174-L178 PolarHBondContact O-N 3.34Å; I175-L178 WeakPolarHBondContact O-CB 3.41Å; I175-L178 PolarHBondContact O-N 2.84Å; I175-L178 VanDerWaalsContact O-N 3.16Å; R176-L178 PolarHBondContact O-N 3.05Å; L178-T180 VanDerWaalsContact C-N 3.3Å; L178-T180 PolarHBondContact O-N 3.22Å; L178-A181 PolarHBondContact O-N 3.4Å; L178-I182 HydrophobicContact CD1-CD1 4.21Å; L178-I182 HydrophobicContact CD1-CG1 4.49Å; L178-I182 HydrophobicContact CG-CD1 4Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.43Å; L178-I182 PolarHBondContact O-N 3.05Å
179T92.6Very high91.4Very high6 Ų650.6 Ų50.64%0.03728%0.277CS..Hα-helixtrans-66.9-33.4176.756.30000111.5I175 R176 I182 A183 L206 I209 N210I175-T179 HydrophobicContact CG2-CG2 3.82Å; I175-T179 WeakPolarHBondContact O-CG2 3.13Å; I175-T179 PolarHBondContact O-N 3.39Å; I175-T179 PolarHBondContact O-OG1 2.96Å; R176-T179 PolarHBondContact O-N 3.33Å; R176-T179 PolarHBondContact O-OG1 3.31Å; T179-I182 PolarHBondContact O-N 3.13Å; T179-A183 WeakPolarHBondContact O-CB 3.31Å; T179-A183 PolarHBondContact O-N 3.38Å; T179-L206 HydrophobicContact CG2-CD2 4.12Å; T179-I209 HydrophobicContact CG2-CG2 3.97Å; T179-N210 WeakPolarHBondContact CB-OD1 3.44Å; T179-N210 WeakPolarHBondContact CG2-OD1 3.33Å; T179-N210 PolarHBondContact OG1-ND2 3Å; T179-N210 PolarHBondContact OG1-OD1 3.13Å
180T91.5Very high91.2Very high26 Ų2653.7 Ų53.716%0.1631%0.309CS..Hα-helixtrans-61.3-47.1169.2-68.60000112.1T105 R176 P177 L178 I182 A183 L184T105-T180 HydrophobicContact CG2-CG2 3.29Å; T105-T180 WeakPolarHBondContact CG2-OG1 3.39Å; R176-T180 PolarHBondContact O-N 3.28Å; R176-T180 PolarHBondContact O-OG1 3.15Å; P177-T180 WeakPolarHBondContact O-CB 3.24Å; P177-T180 PolarHBondContact O-N 3.45Å; L178-T180 VanDerWaalsContact C-N 3.3Å; L178-T180 PolarHBondContact O-N 3.22Å; T180-I182 VanDerWaalsContact C-N 3.33Å; T180-I182 PolarHBondContact O-N 2.91Å; T180-A183 WeakPolarHBondContact O-CB 3.35Å; T180-A183 PolarHBondContact O-N 3.31Å; T180-L184 WeakPolarHBondContact O-CG 3.3Å; T180-L184 PolarHBondContact O-N 3.42Å
181A92.2Very high91.1Very high43 Ų4357 Ų5736%0.35533%0.329SS..Hα-helixtrans-62.7-41.3177.400000111.7P177 L178 L184 I185P177-A181 PolarHBondContact O-N 2.97Å; L178-A181 PolarHBondContact O-N 3.4Å; A181-L184 PolarHBondContact O-N 2.85Å; A181-I185 WeakPolarHBondContact O-CG1 3.32Å; A181-I185 PolarHBondContact O-N 3.19Å; A181-I185 VanDerWaalsContact O-N 3.09Å
182I92.7Very high90.5Very high67 Ų6756.4 Ų56.434%0.34433%0.325SS..Hα-helixtrans-63.8-42174.9-65.4164.8000110.6L178 T179 T180 L184 I185 C186 L206L178-I182 HydrophobicContact CD1-CD1 4.21Å; L178-I182 HydrophobicContact CD1-CG1 4.49Å; L178-I182 HydrophobicContact CG-CD1 4Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.43Å; L178-I182 PolarHBondContact O-N 3.05Å; T179-I182 PolarHBondContact O-N 3.13Å; T180-I182 VanDerWaalsContact C-N 3.33Å; T180-I182 PolarHBondContact O-N 2.91Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.49Å; I182-I185 PolarHBondContact O-N 3.37Å; I182-C186 WeakPolarHBondContact O-CB 3.27Å; I182-C186 PolarHBondContact O-N 3.03Å; I182-C186 PolarHBondContact O-SG 3.24Å; I182-L206 HydrophobicContact CB-CD2 4.19Å; I182-L206 HydrophobicContact CG2-CD1 4.35Å; I182-L206 HydrophobicContact CG2-CD2 3.87Å
183A90.4Very high89.7Confident17 Ų1757.4 Ų57.414%0.1434%0.335CS..Hα-helixtrans-57.4-46.6176.300000111.6T179 T180 I185 C186 E187 Y192 L206T179-A183 WeakPolarHBondContact O-CB 3.31Å; T179-A183 PolarHBondContact O-N 3.38Å; T180-A183 WeakPolarHBondContact O-CB 3.35Å; T180-A183 PolarHBondContact O-N 3.31Å; A183-I185 VanDerWaalsContact C-N 3.34Å; A183-I185 PolarHBondContact O-N 2.97Å; A183-C186 PolarHBondContact O-N 3.47Å; A183-E187 WeakPolarHBondContact O-CB 3.39Å; A183-E187 PolarHBondContact O-N 3.15Å; A183-Y192 HydrophobicContact CB-CD2 4.23Å; A183-Y192 HydrophobicContact CB-CE2 3.59Å; A183-L206 HydrophobicContact CB-CD1 3.93Å
184L89.9Confident88.6Confident88 Ų8861.4 Ų61.446%0.46135%0.353SS..Hα-helixtrans-61.8-40.2177-67.5173.4000112.4Y102 T180 A181 I182 E187 M188Y102-L184 HydrophobicContact CE1-CD2 4.34Å; T180-L184 WeakPolarHBondContact O-CG 3.3Å; T180-L184 PolarHBondContact O-N 3.42Å; A181-L184 PolarHBondContact O-N 2.85Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.49Å; L184-E187 PolarHBondContact O-N 3.15Å; L184-M188 WeakPolarHBondContact O-CG 3.42Å; L184-M188 PolarHBondContact O-N 2.83Å
185I91.7Very high87.5Confident97 Ų9760.7 Ų60.750%0.49735%0.354SS..Hα-helixtrans-66.3-44.8176.1-65.7164.7000110.6A181 I182 A183 E187 M188 V189A181-I185 WeakPolarHBondContact O-CG1 3.32Å; A181-I185 PolarHBondContact O-N 3.19Å; A181-I185 VanDerWaalsContact O-N 3.09Å; I182-I185 PolarHBondContact O-N 3.37Å; A183-I185 VanDerWaalsContact C-N 3.34Å; A183-I185 PolarHBondContact O-N 2.97Å; I185-E187 VanDerWaalsContact C-N 3.27Å; I185-E187 PolarHBondContact O-N 3.4Å; I185-M188 HydrophobicContact CG1-CE 4.19Å; I185-M188 PolarHBondContact O-N 3.25Å; I185-V189 WeakPolarHBondContact O-CG2 3.48Å; I185-V189 PolarHBondContact O-N 3.49Å
186C89.7Confident86.5Confident21 Ų2162 Ų6214%0.14236%0.361CS..Hα-helixtrans-62.2-35.1177.2-71.90000112.3I182 A183 V189 G190 V191 Y192 A202I182-C186 WeakPolarHBondContact O-CB 3.27Å; I182-C186 PolarHBondContact O-N 3.03Å; I182-C186 PolarHBondContact O-SG 3.24Å; A183-C186 PolarHBondContact O-N 3.47Å; C186-V189 PolarHBondContact O-N 2.95Å; C186-G190 PolarHBondContact O-N 3.46Å; C186-V191 HydrophobicContact CB-CG2 4Å; C186-V191 PolarHBondContact O-N 2.88Å; C186-Y192 HydrophobicContact CB-CD2 4.17Å; C186-Y192 PolarHBondContact O-N 3.49Å; C186-A202 HydrophobicContact CB-CB 4.05Å
187E87.2Confident85.8Confident102 Ų10267.1 Ų67.148%0.47739%0.385SS..Hα-helixtrans-67.8-46175.9-174.560.1-157.800110.8A183 L184 I185 V189 G190 Y192A183-E187 WeakPolarHBondContact O-CB 3.39Å; A183-E187 PolarHBondContact O-N 3.15Å; L184-E187 PolarHBondContact O-N 3.15Å; I185-E187 VanDerWaalsContact C-N 3.27Å; I185-E187 PolarHBondContact O-N 3.4Å; E187-V189 PolarHBondContact O-N 3.49Å; E187-G190 PolarHBondContact O-N 3.49Å; E187-Y192 VanDerWaalsContact OE2-CB 3.23Å; E187-Y192 WeakPolarHBondContact OE2-CB 3.5Å; E187-Y192 VanDerWaalsContact OE2-CD1 3.25Å; E187-Y192 WeakPolarHBondContact OE2-CD1 3.49Å
188M89.1Confident85.2Confident153 Ų15366.5 Ų66.575%0.75438%0.382SS*.Hα-helixtrans-60.9-30.6175.3-71.9-172.7-69.200113.3L184 I185L184-M188 WeakPolarHBondContact O-CG 3.42Å; L184-M188 PolarHBondContact O-N 2.83Å; I185-M188 HydrophobicContact CG1-CE 4.19Å; I185-M188 PolarHBondContact O-N 3.25Å
189V91.1Very high84.8Confident104 Ų10469.8 Ų69.863%0.6339%0.392SS*.THydrogen-bonded Turntrans-86.3-101771790000112I185 C186 E187 V191I185-V189 WeakPolarHBondContact O-CG2 3.48Å; I185-V189 PolarHBondContact O-N 3.49Å; C186-V189 PolarHBondContact O-N 2.95Å; E187-V189 PolarHBondContact O-N 3.49Å; V189-V191 HydrophobicContact CB-CG2 4.24Å; V189-V191 HydrophobicContact CG1-CG1 4.13Å; V189-V191 HydrophobicContact CG1-CG2 4.16Å
190G85.5Confident84.4Confident65 Ų6580.3 Ų80.367%0.6743%0.431SS*.THydrogen-bonded Turntrans75.220.1-179.800000114.8C186 E187C186-G190 PolarHBondContact O-N 3.46Å; E187-G190 PolarHBondContact O-N 3.49Å
191V89.1Confident84.2Confident71 Ų7181.2 Ų81.243%0.4343%0.434SS..  trans-108.11.3-180-63.40000113.5C186 V189 A202C186-V191 HydrophobicContact CB-CG2 4Å; C186-V191 PolarHBondContact O-N 2.88Å; V189-V191 HydrophobicContact CB-CG2 4.24Å; V189-V191 HydrophobicContact CG1-CG1 4.13Å; V189-V191 HydrophobicContact CG1-CG2 4.16Å; V191-A202 PolarHBondContact O-N 3.14Å; V191-A202 VanDerWaalsContact O-N 3.1Å
192Y81.3Confident84Confident38 Ų3880.1 Ų80.115%0.14943%0.425CS..  trans-65.4-49.8-179-174.1-118.7000112.2A183 C186 E187 E194 H201 A202 F203 L206A183-Y192 HydrophobicContact CB-CD2 4.23Å; A183-Y192 HydrophobicContact CB-CE2 3.59Å; C186-Y192 HydrophobicContact CB-CD2 4.17Å; C186-Y192 PolarHBondContact O-N 3.49Å; E187-Y192 VanDerWaalsContact OE2-CB 3.23Å; E187-Y192 WeakPolarHBondContact OE2-CB 3.5Å; E187-Y192 VanDerWaalsContact OE2-CD1 3.25Å; E187-Y192 WeakPolarHBondContact OE2-CD1 3.49Å; Y192-E194 HydrophobicContact CD1-CB 3.97Å; Y192-E194 HydrophobicContact CE1-CB 3.94Å; Y192-E194 HydrophobicContact CE1-CG 4.15Å; Y192-H201 WeakPolarHBondContact O-CB 3.38Å; Y192-A202 PolarHBondContact O-N 3.39Å; Y192-F203 HydrophobicContact CD2-CB 4.5Å; Y192-F203 AromaticContact CE1-CD2 3.88Å; Y192-F203 HydrophobicContact CE1-CD2 3.88Å; Y192-F203 HydrophobicContact CE2-CB 4.34Å; Y192-F203 HydrophobicContact CE2-CD2 4.15Å; Y192-F203 AromaticContact CZ-CD2 3.56Å; Y192-F203 VanDerWaalsContact O-CB 3.23Å; Y192-F203 WeakPolarHBondContact O-CB 3.3Å; Y192-F203 PolarHBondContact O-N 2.91Å; Y192-F203 WeakPolarHBondContact OH-CD2 3.49Å; Y192-L206 HydrophobicContact CD2-CD1 4.18Å; Y192-L206 HydrophobicContact CE2-CD1 3.86Å
193G74.9Confident83.7Confident20 Ų2078.7 Ų78.721%0.20642%0.416CS..  trans61.263.6178.600000112.7G195 D196 F203G193-G195 PolarHBondContact O-N 3.12Å; G193-D196 PolarHBondContact O-N 2.72Å; G193-F203 WeakPolarHBondContact O-CB 3.36Å
194E70.6Confident83.6Confident99 Ų9979 Ų7946%0.46342%0.415SS..THydrogen-bonded Turntrans-56.3133.5-175.4-171.8176.2-173.800112.7I101 Y192 D196I101-E194 VanDerWaalsContact CD1-OE1 3.24Å; I101-E194 WeakPolarHBondContact CD1-OE1 3.39Å; I101-E194 WeakPolarHBondContact CD1-OE2 3.2Å; I101-E194 WeakPolarHBondContact CG1-OE1 3.14Å; Y192-E194 HydrophobicContact CD1-CB 3.97Å; Y192-E194 HydrophobicContact CE1-CB 3.94Å; Y192-E194 HydrophobicContact CE1-CG 4.15Å; E194-D196 PolarHBondContact O-N 3.13Å
195G68.8Low83.7Confident29 Ų2980.4 Ų80.430%0.29942%0.415SS..THydrogen-bonded Turntrans70.5-6.2177.100000115.3G193G193-G195 PolarHBondContact O-N 3.12Å
196D73.1Confident83.6Confident61 Ų6176.5 Ų76.533%0.32640%0.395SS..  trans-89.3116.2175.8-171.1-5.3000110.4G193 E194 S198 H201G193-D196 PolarHBondContact O-N 2.72Å; E194-D196 PolarHBondContact O-N 3.13Å; D196-S198 VanDerWaalsContact CG-OG 3.3Å; D196-S198 PolarHBondContact O-N 3.23Å; D196-S198 VanDerWaalsContact OD1-CB 3.26Å; D196-S198 WeakPolarHBondContact OD1-CB 3.36Å; D196-S198 PolarHBondContact OD1-N 2.97Å; D196-S198 PolarHBondContact OD1-OG 2.9Å; D196-S198 PolarHBondContact OD2-OG 2.93Å; D196-H201 IonicContact OD2-CE1 3.42Å; D196-H201 PolarHBondContact OD2-CE1 2.94Å; D196-H201 IonicContact OD2-ND1 3.46Å; D196-H201 PolarHBondContact OD2-ND1 3.43Å
197F74.6Confident83.5Confident141 Ų14177.4 Ų77.462%0.61840%0.4SS*.  trans-81.523.4176.4-68-81.6000113.3F203 L204F197-F203 HydrophobicContact CE1-CE1 4.35Å; F197-F203 HydrophobicContact CZ-CE1 4.4Å; F197-L204 HydrophobicContact CB-CD1 4.45Å; F197-L204 HydrophobicContact CD1-CD1 3.79Å
198S81Confident83.7Confident49 Ų4976.7 Ų76.734%0.34340%0.399SS..  trans-75.1138.2174.7-66.40000112.2D196 R200 H201D196-S198 VanDerWaalsContact CG-OG 3.3Å; D196-S198 PolarHBondContact O-N 3.23Å; D196-S198 VanDerWaalsContact OD1-CB 3.26Å; D196-S198 WeakPolarHBondContact OD1-CB 3.36Å; D196-S198 PolarHBondContact OD1-N 2.97Å; D196-S198 PolarHBondContact OD1-OG 2.9Å; D196-S198 PolarHBondContact OD2-OG 2.93Å; S198-R200 PolarHBondContact O-N 3.48Å; S198-H201 PolarHBondContact O-N 3.22Å
199F83.8Confident83.9Confident168 Ų16873.3 Ų73.374%0.73738%0.383SS*.THydrogen-bonded Turntrans-59.6-9175.9-67.9-79.1000115L204 Y205F199-L204 HydrophobicContact CD1-CD2 3.91Å; F199-L204 HydrophobicContact CE1-CD2 4.24Å; F199-L204 HydrophobicContact CG-CD2 4.37Å; F199-Y205 VanDerWaalsContact O-CE2 3.23Å; F199-Y205 WeakPolarHBondContact O-CE2 3.49Å; F199-Y205 PolarHBondContact O-OH 3.47Å
200R83.4Confident83.9Confident227 Ų22769.2 Ų69.286%0.85736%0.357SS*.THydrogen-bonded Turntrans-85.4-22.1177.9-173.5174173.7171.1-2.4113S198S198-R200 PolarHBondContact O-N 3.48Å
201H87.5Confident84.1Confident46 Ų4668.8 Ų68.821%0.21334%0.34CS..SBendtrans-98.4142.2-171.7-66.4122.3000112Y192 D196 S198 F203 Y205Y192-H201 WeakPolarHBondContact O-CB 3.38Å; D196-H201 IonicContact OD2-CE1 3.42Å; D196-H201 PolarHBondContact OD2-CE1 2.94Å; D196-H201 IonicContact OD2-ND1 3.46Å; D196-H201 PolarHBondContact OD2-ND1 3.43Å; S198-H201 PolarHBondContact O-N 3.22Å; H201-F203 PolarHBondContact O-N 3.37Å; H201-Y205 WeakPolarHBondContact O-CD2 3.41Å
202A89Confident84.3Confident20 Ų2069.9 Ų69.917%0.16535%0.346CS..Hα-helixtrans-68.1-25.8-177.900000112.7C186 V191 Y192 L204 Y205 L206C186-A202 HydrophobicContact CB-CB 4.05Å; V191-A202 PolarHBondContact O-N 3.14Å; V191-A202 VanDerWaalsContact O-N 3.1Å; Y192-A202 PolarHBondContact O-N 3.39Å; A202-L204 VanDerWaalsContact C-N 3.31Å; A202-L204 PolarHBondContact O-N 3.2Å; A202-Y205 PolarHBondContact O-N 3.06Å; A202-L206 HydrophobicContact CB-CD1 4.43Å; A202-L206 WeakPolarHBondContact O-CG 3.39Å; A202-L206 PolarHBondContact O-N 3.35Å
203F86.4Confident84.9Confident37 Ų3768.1 Ų68.116%0.16234%0.34CS..Hα-helixtrans-51.1-47.1178.2178.6-101.6000112.8Y192 G193 F197 H201 T207Y192-F203 HydrophobicContact CD2-CB 4.5Å; Y192-F203 AromaticContact CE1-CD2 3.88Å; Y192-F203 HydrophobicContact CE1-CD2 3.88Å; Y192-F203 HydrophobicContact CE2-CB 4.34Å; Y192-F203 HydrophobicContact CE2-CD2 4.15Å; Y192-F203 AromaticContact CZ-CD2 3.56Å; Y192-F203 VanDerWaalsContact O-CB 3.23Å; Y192-F203 WeakPolarHBondContact O-CB 3.3Å; Y192-F203 PolarHBondContact O-N 2.91Å; Y192-F203 WeakPolarHBondContact OH-CD2 3.49Å; G193-F203 WeakPolarHBondContact O-CB 3.36Å; F197-F203 HydrophobicContact CE1-CE1 4.35Å; F197-F203 HydrophobicContact CZ-CE1 4.4Å; H201-F203 PolarHBondContact O-N 3.37Å; F203-T207 VanDerWaalsContact O-CB 3.28Å; F203-T207 WeakPolarHBondContact O-CB 3.27Å; F203-T207 PolarHBondContact O-N 2.91Å; F203-T207 PolarHBondContact O-OG1 3.21Å
204L88.6Confident85.6Confident22 Ų2268.5 Ų68.512%0.11534%0.336CS..Hα-helixtrans-60.6-50.518018070.9000111.7F197 F199 A202 L206 T207 I208F197-L204 HydrophobicContact CB-CD1 4.45Å; F197-L204 HydrophobicContact CD1-CD1 3.79Å; F199-L204 HydrophobicContact CD1-CD2 3.91Å; F199-L204 HydrophobicContact CE1-CD2 4.24Å; F199-L204 HydrophobicContact CG-CD2 4.37Å; A202-L204 VanDerWaalsContact C-N 3.31Å; A202-L204 PolarHBondContact O-N 3.2Å; L204-L206 PolarHBondContact O-N 2.92Å; L204-T207 PolarHBondContact O-N 3.17Å; L204-I208 HydrophobicContact CD1-CD1 4.17Å; L204-I208 HydrophobicContact CG-CD1 3.98Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.42Å
205Y91.1Very high86.5Confident119 Ų11968.4 Ų68.447%0.46734%0.338SS..Hα-helixtrans-63.7-43.6-178.2-64.6-79000112F199 H201 A202 T207 I208 I209F199-Y205 VanDerWaalsContact O-CE2 3.23Å; F199-Y205 WeakPolarHBondContact O-CE2 3.49Å; F199-Y205 PolarHBondContact O-OH 3.47Å; H201-Y205 WeakPolarHBondContact O-CD2 3.41Å; A202-Y205 PolarHBondContact O-N 3.06Å; Y205-T207 VanDerWaalsContact C-N 3.32Å; Y205-T207 PolarHBondContact O-N 3.34Å; Y205-I208 PolarHBondContact O-N 3.18Å; Y205-I209 VanDerWaalsContact O-CG1 3.26Å; Y205-I209 WeakPolarHBondContact O-CG1 3.02Å; Y205-I209 PolarHBondContact O-N 3.35Å
206L90.8Very high87.6Confident14 Ų1470.5 Ų70.57%0.07334%0.337CS..Hα-helixtrans-63.9-40.4177.7-68.1170.1000111.4T179 I182 A183 Y192 A202 L204 I209 N210T179-L206 HydrophobicContact CG2-CD2 4.12Å; I182-L206 HydrophobicContact CB-CD2 4.19Å; I182-L206 HydrophobicContact CG2-CD1 4.35Å; I182-L206 HydrophobicContact CG2-CD2 3.87Å; A183-L206 HydrophobicContact CB-CD1 3.93Å; Y192-L206 HydrophobicContact CD2-CD1 4.18Å; Y192-L206 HydrophobicContact CE2-CD1 3.86Å; A202-L206 HydrophobicContact CB-CD1 4.43Å; A202-L206 WeakPolarHBondContact O-CG 3.39Å; A202-L206 PolarHBondContact O-N 3.35Å; L204-L206 PolarHBondContact O-N 2.92Å; L206-I209 PolarHBondContact O-N 3.49Å; L206-N210 WeakPolarHBondContact O-CB 3.29Å; L206-N210 VanDerWaalsContact O-CG 3.3Å; L206-N210 PolarHBondContact O-N 3.22Å; L206-N210 PolarHBondContact O-ND2 3.42Å
207T86.5Confident88.5Confident40 Ų4067.6 Ų67.625%0.24532%0.321CS..Hα-helixtrans-62.2-45.7175.4-610000111.2F203 L204 Y205 N210 N211F203-T207 VanDerWaalsContact O-CB 3.28Å; F203-T207 WeakPolarHBondContact O-CB 3.27Å; F203-T207 PolarHBondContact O-N 2.91Å; F203-T207 PolarHBondContact O-OG1 3.21Å; L204-T207 PolarHBondContact O-N 3.17Å; Y205-T207 VanDerWaalsContact C-N 3.32Å; Y205-T207 PolarHBondContact O-N 3.34Å; T207-N210 PolarHBondContact O-N 3.15Å; T207-N211 WeakPolarHBondContact CG2-ND2 3.49Å; T207-N211 WeakPolarHBondContact O-CB 3.49Å; T207-N211 PolarHBondContact O-N 3.01Å; T207-N211 PolarHBondContact O-ND2 3.46Å
208I91.1Very high89.2Confident87 Ų8763.1 Ų63.145%0.44630%0.304SS..Hα-helixtrans-61.9-48.1177.1-68.8167.3000110.9L204 Y205 N210 N211 V212L204-I208 HydrophobicContact CD1-CD1 4.17Å; L204-I208 HydrophobicContact CG-CD1 3.98Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.42Å; Y205-I208 PolarHBondContact O-N 3.18Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 3.14Å; I208-N211 PolarHBondContact O-N 3.43Å; I208-V212 HydrophobicContact CG2-CG2 4.28Å; I208-V212 WeakPolarHBondContact O-CB 3.46Å; I208-V212 VanDerWaalsContact O-CG2 3.32Å; I208-V212 WeakPolarHBondContact O-CG2 3.36Å; I208-V212 PolarHBondContact O-N 3.44Å
209I93.8Very high89.6Confident82 Ų8261.8 Ų61.842%0.42129%0.291SS..Hα-helixtrans-58.7-45.6179.5-70.2165.6000110.8I175 T179 Y205 L206 S213I175-I209 HydrophobicContact CG2-CG2 3.96Å; T179-I209 HydrophobicContact CG2-CG2 3.97Å; Y205-I209 VanDerWaalsContact O-CG1 3.26Å; Y205-I209 WeakPolarHBondContact O-CG1 3.02Å; Y205-I209 PolarHBondContact O-N 3.35Å; L206-I209 PolarHBondContact O-N 3.49Å; I209-S213 VanDerWaalsContact O-CB 3.28Å; I209-S213 WeakPolarHBondContact O-CB 3.21Å; I209-S213 PolarHBondContact O-N 3.27Å
210N91.4Very high89.9Confident19 Ų1953.8 Ų53.810%0.10226%0.256CS..Hα-helixtrans-64.1-45.2178.9-77.1-30.7000112T179 L206 T207 I208 S213 Q214T179-N210 WeakPolarHBondContact CB-OD1 3.44Å; T179-N210 WeakPolarHBondContact CG2-OD1 3.33Å; T179-N210 PolarHBondContact OG1-ND2 3Å; T179-N210 PolarHBondContact OG1-OD1 3.13Å; L206-N210 WeakPolarHBondContact O-CB 3.29Å; L206-N210 VanDerWaalsContact O-CG 3.3Å; L206-N210 PolarHBondContact O-N 3.22Å; L206-N210 PolarHBondContact O-ND2 3.42Å; T207-N210 PolarHBondContact O-N 3.15Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 3.14Å; N210-S213 PolarHBondContact O-N 2.99Å; N210-Q214 VanDerWaalsContact O-CB 3.28Å; N210-Q214 WeakPolarHBondContact O-CB 3.47Å; N210-Q214 PolarHBondContact O-N 3.18Å
211N90.2Very high90.2Very high56 Ų5643.2 Ų43.230%0.29922%0.216SC..Hα-helixtrans-63-46.2177.8-84.1-83.9000111.7T207 I208 S213 Q214 I215T207-N211 WeakPolarHBondContact CG2-ND2 3.49Å; T207-N211 WeakPolarHBondContact O-CB 3.49Å; T207-N211 PolarHBondContact O-N 3.01Å; T207-N211 PolarHBondContact O-ND2 3.46Å; I208-N211 PolarHBondContact O-N 3.43Å; N211-S213 PolarHBondContact O-N 3.44Å; N211-Q214 PolarHBondContact O-N 3.07Å; N211-I215 WeakPolarHBondContact O-CB 3.3Å; N211-I215 WeakPolarHBondContact O-CD1 3.13Å; N211-I215 WeakPolarHBondContact O-CG1 3.48Å; N211-I215 PolarHBondContact O-N 3.42Å
212V92.5Very high90.2Very high93 Ų9343 Ų4356%0.56422%0.219SC*.Hα-helixtrans-61.8-44.9177.6171.20000110.9I208 I215 W216I208-V212 HydrophobicContact CG2-CG2 4.28Å; I208-V212 WeakPolarHBondContact O-CB 3.46Å; I208-V212 VanDerWaalsContact O-CG2 3.32Å; I208-V212 WeakPolarHBondContact O-CG2 3.36Å; I208-V212 PolarHBondContact O-N 3.44Å; V212-I215 PolarHBondContact O-N 2.87Å; V212-W216 WeakPolarHBondContact O-CB 3.27Å; V212-W216 PolarHBondContact O-N 2.97Å
213S93Very high90.1Very high2 Ų242.1 Ų42.11%0.01421%0.211CC..Hα-helixtrans-64.4-41.6178-178.10000112.3Q171 Y172 I209 N210 N211 W216 A217Q171-S213 PolarHBondContact OE1-OG 3.45Å; Y172-S213 WeakPolarHBondContact CA-OG 3.36Å; I209-S213 VanDerWaalsContact O-CB 3.28Å; I209-S213 WeakPolarHBondContact O-CB 3.21Å; I209-S213 PolarHBondContact O-N 3.27Å; N210-S213 PolarHBondContact O-N 2.99Å; N211-S213 PolarHBondContact O-N 3.44Å; S213-W216 PolarHBondContact O-N 3.35Å; S213-A217 WeakPolarHBondContact O-CB 2.88Å; S213-A217 PolarHBondContact O-N 3.37Å
214Q91.1Very high90.3Very high28 Ų2840.4 Ų40.413%0.13120%0.203CC..Hα-helixtrans-64.6-45176.9-169.7-170.923.700111.6E111 Y172 N210 N211 W216 A217 L218E111-Q214 PolarHBondContact OE1-NE2 2.9Å; E111-Q214 PolarHBondContact OE2-NE2 3.38Å; Y172-Q214 HydrophobicContact CD2-CB 4.06Å; Y172-Q214 HydrophobicContact CE1-CG 4.27Å; Y172-Q214 HydrophobicContact CE2-CB 3.63Å; Y172-Q214 HydrophobicContact CE2-CG 4.09Å; N210-Q214 VanDerWaalsContact O-CB 3.28Å; N210-Q214 WeakPolarHBondContact O-CB 3.47Å; N210-Q214 PolarHBondContact O-N 3.18Å; N211-Q214 PolarHBondContact O-N 3.07Å; Q214-W216 VanDerWaalsContact C-N 3.32Å; Q214-W216 PolarHBondContact O-N 3.33Å; Q214-A217 PolarHBondContact O-N 2.91Å; Q214-L218 WeakPolarHBondContact O-CB 3.39Å; Q214-L218 PolarHBondContact O-N 3.35Å
215I89.9Confident90.2Very high97 Ų9742.4 Ų42.450%0.49721%0.21SC..Hα-helixtrans-60.2-44.5176.5-71.2166.4000110.1N211 V212 L218 Y219N211-I215 WeakPolarHBondContact O-CB 3.3Å; N211-I215 WeakPolarHBondContact O-CD1 3.13Å; N211-I215 WeakPolarHBondContact O-CG1 3.48Å; N211-I215 PolarHBondContact O-N 3.42Å; V212-I215 PolarHBondContact O-N 2.87Å; I215-L218 PolarHBondContact O-N 3.27Å; I215-Y219 VanDerWaalsContact O-CB 3.22Å; I215-Y219 WeakPolarHBondContact O-CB 3.19Å; I215-Y219 PolarHBondContact O-N 3.22Å
216W91.8Very high90Very high72 Ų7242.4 Ų42.427%0.27321%0.209SC..Hα-helixtrans-63.8-46.2178.2-176.7-104.7000112.7F149 W155 V212 S213 Q214 L218 Y219 C220F149-W216 HydrophobicContact CE1-CZ3 4.44Å; F149-W216 HydrophobicContact CE2-CE3 4.36Å; F149-W216 HydrophobicContact CZ-CE3 4.21Å; F149-W216 HydrophobicContact CZ-CZ3 4.42Å; W155-W216 HydrophobicContact CH2-CH2 4.4Å; W155-W216 HydrophobicContact CH2-CZ2 4.17Å; W155-W216 AromaticContact CZ2-CH2 3.9Å; W155-W216 HydrophobicContact CZ2-CH2 3.9Å; W155-W216 AromaticContact CZ2-CZ2 3.8Å; W155-W216 HydrophobicContact CZ2-CZ2 3.8Å; V212-W216 WeakPolarHBondContact O-CB 3.27Å; V212-W216 PolarHBondContact O-N 2.97Å; S213-W216 PolarHBondContact O-N 3.35Å; Q214-W216 VanDerWaalsContact C-N 3.32Å; Q214-W216 PolarHBondContact O-N 3.33Å; W216-L218 VanDerWaalsContact C-N 3.35Å; W216-L218 PolarHBondContact O-N 3.15Å; W216-Y219 HydrophobicContact CE3-CD1 4.3Å; W216-Y219 HydrophobicContact CZ3-CD1 4.2Å; W216-Y219 HydrophobicContact CZ3-CE1 4.4Å; W216-Y219 WeakPolarHBondContact O-CB 3.39Å; W216-Y219 PolarHBondContact O-N 3.15Å; W216-C220 PolarHBondContact O-N 3.34Å; W216-C220 PolarHBondContact O-SG 3.48Å
217A91.9Very high89.8Confident0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-61-43.5177.200000112.1Y172 S213 Q214 Y219 C220 L221Y172-A217 HydrophobicContact CG-CB 4.21Å; S213-A217 WeakPolarHBondContact O-CB 2.88Å; S213-A217 PolarHBondContact O-N 3.37Å; Q214-A217 PolarHBondContact O-N 2.91Å; A217-Y219 VanDerWaalsContact C-N 3.34Å; A217-C220 PolarHBondContact O-N 2.74Å; A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 PolarHBondContact O-N 2.81Å
218L88.8Confident89.9Confident48 Ų4839.9 Ų39.925%0.25119%0.194SC..Hα-helixtrans-64.4-40.7175.9-171.666.3000111.5Q214 I215 W216 L221 V222 F241 K245Q214-L218 WeakPolarHBondContact O-CB 3.39Å; Q214-L218 PolarHBondContact O-N 3.35Å; I215-L218 PolarHBondContact O-N 3.27Å; W216-L218 VanDerWaalsContact C-N 3.35Å; W216-L218 PolarHBondContact O-N 3.15Å; L218-L221 PolarHBondContact O-N 2.83Å; L218-V222 VanDerWaalsContact O-CG2 3.32Å; L218-V222 WeakPolarHBondContact O-CG2 3.19Å; L218-V222 PolarHBondContact O-N 2.85Å; L218-F241 HydrophobicContact CD1-CE2 4.08Å; L218-F241 HydrophobicContact CD1-CZ 3.74Å; L218-K245 HydrophobicContact CD1-CD 3.92Å; L218-K245 HydrophobicContact CD1-CG 4.28Å
219Y88.6Confident89.7Confident21 Ų2142.7 Ų42.78%0.08220%0.199CC..Hα-helixtrans-60.3-49.6176.1175.3-96.6000112H145 L146 F149 I215 W216 A217 L221 V222 M223H145-Y219 VanDerWaalsContact CA-OH 3.27Å; H145-Y219 WeakPolarHBondContact CA-OH 3.35Å; H145-Y219 WeakPolarHBondContact CB-OH 3.43Å; H145-Y219 AromaticContact ND1-CE1 3.82Å; H145-Y219 AromaticContact ND1-CZ 3.73Å; H145-Y219 PolarHBondContact ND1-OH 2.94Å; L146-Y219 HydrophobicContact CB-CE2 4.16Å; L146-Y219 PolarHBondContact N-OH 3.25Å; F149-Y219 HydrophobicContact CB-CE2 4.39Å; F149-Y219 HydrophobicContact CD2-CD1 4.21Å; F149-Y219 AromaticContact CD2-CD2 3.74Å; F149-Y219 HydrophobicContact CD2-CD2 3.74Å; F149-Y219 HydrophobicContact CD2-CE1 4.15Å; F149-Y219 AromaticContact CD2-CE2 3.64Å; F149-Y219 HydrophobicContact CD2-CE2 3.64Å; F149-Y219 HydrophobicContact CD2-CG 4.01Å; F149-Y219 AromaticContact CD2-CZ 3.85Å; F149-Y219 HydrophobicContact CE2-CD2 4.15Å; F149-Y219 HydrophobicContact CE2-CE2 4.49Å; F149-Y219 HydrophobicContact CE2-CG 4.15Å; F149-Y219 HydrophobicContact CG-CE2 4.48Å; I215-Y219 VanDerWaalsContact O-CB 3.22Å; I215-Y219 WeakPolarHBondContact O-CB 3.19Å; I215-Y219 PolarHBondContact O-N 3.22Å; W216-Y219 HydrophobicContact CE3-CD1 4.3Å; W216-Y219 HydrophobicContact CZ3-CD1 4.2Å; W216-Y219 HydrophobicContact CZ3-CE1 4.4Å; W216-Y219 WeakPolarHBondContact O-CB 3.39Å; W216-Y219 PolarHBondContact O-N 3.15Å; A217-Y219 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 3.23Å; Y219-V222 PolarHBondContact O-N 3.3Å; Y219-M223 HydrophobicContact CD1-CG 4.2Å; Y219-M223 HydrophobicContact CE1-CG 3.72Å; Y219-M223 HydrophobicContact CE2-CG 4.16Å; Y219-M223 HydrophobicContact CE2-SD 4.5Å; Y219-M223 WeakPolarHBondContact O-CB 3.32Å; Y219-M223 WeakPolarHBondContact O-CG 3.39Å; Y219-M223 PolarHBondContact O-N 2.89Å
220C90.2Very high89.3Confident0 Ų044.2 Ų44.20%021%0.208CC..Hα-helixtrans-56.3-41.3175.2-74.70000111.8W216 A217 M223 F224W216-C220 PolarHBondContact O-N 3.34Å; W216-C220 PolarHBondContact O-SG 3.48Å; A217-C220 PolarHBondContact O-N 2.74Å; C220-M223 PolarHBondContact O-N 3.49Å; C220-F224 WeakPolarHBondContact O-CB 3.38Å; C220-F224 PolarHBondContact O-N 2.77Å
221L89.6Confident89.1Confident4 Ų444.3 Ų44.32%0.02121%0.207CC..Hα-helixtrans-69.8-39.4179.9-167.2142.4000112.4I115 F118 L119 A217 L218 Y219 F224 Y225 F241I115-L221 HydrophobicContact CG2-CD1 4.09Å; F118-L221 HydrophobicContact CD1-CD1 3.86Å; F118-L221 HydrophobicContact CD1-CD2 4.02Å; F118-L221 HydrophobicContact CD1-CG 4.41Å; F118-L221 HydrophobicContact CE1-CD2 3.99Å; L119-L221 HydrophobicContact CB-CD1 4.18Å; A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 PolarHBondContact O-N 2.81Å; L218-L221 PolarHBondContact O-N 2.83Å; Y219-L221 PolarHBondContact O-N 3.23Å; L221-F224 PolarHBondContact O-N 3.36Å; L221-Y225 WeakPolarHBondContact O-CB 3.47Å; L221-Y225 PolarHBondContact O-N 3.49Å; L221-F241 HydrophobicContact CD2-CD2 3.64Å; L221-F241 HydrophobicContact CD2-CE2 3.18Å; L221-F241 HydrophobicContact CD2-CZ 3.91Å
222V87.9Confident89Confident43 Ų4341.6 Ų41.626%0.26119%0.193SC..Hα-helixtrans-65.6-42.3173.2169.50000111.3L218 Y219 F224 Y225 R226 F241L218-V222 VanDerWaalsContact O-CG2 3.32Å; L218-V222 WeakPolarHBondContact O-CG2 3.19Å; L218-V222 PolarHBondContact O-N 2.85Å; Y219-V222 PolarHBondContact O-N 3.3Å; V222-F224 VanDerWaalsContact C-N 3.35Å; V222-Y225 PolarHBondContact O-N 3.25Å; V222-R226 WeakPolarHBondContact O-CG 3.43Å; V222-R226 PolarHBondContact O-N 2.88Å; V222-F241 HydrophobicContact CG2-CZ 4.26Å
223M87.7Confident88.5Confident1 Ų140.8 Ų40.81%0.00519%0.192CC..Hα-helixtrans-59.3-47.5174.6-76.9-67.2-74.100111M143 L146 F161 Y219 C220 Y225 R226 C227M143-M223 HydrophobicContact CB-CE 4.02Å; L146-M223 HydrophobicContact CD1-SD 3.48Å; L146-M223 WeakPolarHBondContact CD1-SD 3.18Å; F161-M223 HydrophobicContact CE2-CB 4.48Å; F161-M223 HydrophobicContact CE2-CE 4.37Å; F161-M223 HydrophobicContact CZ-CB 4.3Å; Y219-M223 HydrophobicContact CD1-CG 4.2Å; Y219-M223 HydrophobicContact CE1-CG 3.72Å; Y219-M223 HydrophobicContact CE2-CG 4.16Å; Y219-M223 HydrophobicContact CE2-SD 4.5Å; Y219-M223 WeakPolarHBondContact O-CB 3.32Å; Y219-M223 WeakPolarHBondContact O-CG 3.39Å; Y219-M223 PolarHBondContact O-N 2.89Å; C220-M223 PolarHBondContact O-N 3.49Å; M223-Y225 PolarHBondContact O-N 3.04Å; M223-R226 PolarHBondContact O-N 3.22Å; M223-C227 PolarHBondContact O-N 3.28Å
224F90Very high87.9Confident1 Ų145.4 Ų45.40%0.00422%0.221CC..Hα-helixtrans-58-47.9176179.3-99.9000111.8L119 L122 L123 L126 F161 C165 C220 L221 V222 R226 C227 T228L119-F224 HydrophobicContact CD1-CB 4.46Å; L119-F224 HydrophobicContact CD1-CD1 3.6Å; L119-F224 HydrophobicContact CD1-CD2 4.42Å; L119-F224 HydrophobicContact CD1-CE1 3.86Å; L119-F224 HydrophobicContact CD1-CG 3.9Å; L119-F224 HydrophobicContact CD1-CZ 4.36Å; L122-F224 HydrophobicContact CB-CE1 3.75Å; L122-F224 HydrophobicContact CD1-CD1 4.23Å; L122-F224 HydrophobicContact CD1-CE1 4.14Å; L123-F224 HydrophobicContact CD2-CE2 3.56Å; L123-F224 HydrophobicContact CD2-CZ 3.49Å; L123-F224 VanDerWaalsContact CD2-CZ 3.49Å; L123-F224 HydrophobicContact CG-CE2 4.34Å; L123-F224 HydrophobicContact CG-CZ 3.92Å; L126-F224 HydrophobicContact CD1-CE1 4.09Å; L126-F224 HydrophobicContact CD1-CE2 4.5Å; L126-F224 HydrophobicContact CD1-CZ 3.6Å; F161-F224 HydrophobicContact CE1-CD2 4.43Å; C165-F224 HydrophobicContact CB-CB 4.06Å; C165-F224 HydrophobicContact CB-CD2 4.21Å; C165-F224 HydrophobicContact CB-CG 4.5Å; C220-F224 WeakPolarHBondContact O-CB 3.38Å; C220-F224 PolarHBondContact O-N 2.77Å; L221-F224 PolarHBondContact O-N 3.36Å; V222-F224 VanDerWaalsContact C-N 3.35Å; F224-R226 PolarHBondContact O-N 3.42Å; F224-C227 PolarHBondContact O-N 2.9Å; F224-T228 HydrophobicContact CE2-CG2 4.13Å; F224-T228 HydrophobicContact CZ-CG2 4.2Å; F224-T228 PolarHBondContact O-N 2.86Å; F224-T228 PolarHBondContact O-OG1 3.49Å
225Y87.5Confident87.5Confident63 Ų6344.9 Ų44.925%0.24722%0.219CC..Hα-helixtrans-60.4-46.1177.1172.1-110.8000111.9L221 V222 M223 C227 T228 R229 L232 P237 V238L221-Y225 WeakPolarHBondContact O-CB 3.47Å; L221-Y225 PolarHBondContact O-N 3.49Å; V222-Y225 PolarHBondContact O-N 3.25Å; M223-Y225 PolarHBondContact O-N 3.04Å; Y225-C227 VanDerWaalsContact C-N 3.27Å; Y225-C227 PolarHBondContact O-N 3.21Å; Y225-T228 CarbonylContact O-C 3.59Å; Y225-T228 PolarHBondContact O-N 2.93Å; Y225-T228 VanDerWaalsContact O-N 3.14Å; Y225-R229 HydrophobicContact CE2-CB 4.15Å; Y225-R229 WeakPolarHBondContact O-CA 3.25Å; Y225-R229 WeakPolarHBondContact O-CB 3.46Å; Y225-R229 PolarHBondContact O-N 3.17Å; Y225-L232 HydrophobicContact CD2-CD1 4.11Å; Y225-P237 HydrophobicContact CD2-CB 4.41Å; Y225-P237 HydrophobicContact CD2-CG 4.07Å; Y225-P237 HydrophobicContact CE2-CB 4.16Å; Y225-P237 HydrophobicContact CE2-CG 3.4Å; Y225-V238 HydrophobicContact CE1-CG2 3.92Å; Y225-V238 HydrophobicContact CE2-CG2 4.15Å; Y225-V238 WeakPolarHBondContact OH-CG2 3.44Å
226R86.2Confident86.9Confident119 Ų11948 Ų4845%0.44923%0.229SC..Hα-helixtrans-60.9-38.7178.6-75.8-176.962.4151.9-2.2112.1M143 L146 V222 M223 F224 T228M143-R226 HydrophobicContact CE-CB 3.52Å; L146-R226 VanDerWaalsContact CD2-NH1 3.35Å; L146-R226 VanDerWaalsContact CG-NH1 3.34Å; V222-R226 WeakPolarHBondContact O-CG 3.43Å; V222-R226 PolarHBondContact O-N 2.88Å; M223-R226 PolarHBondContact O-N 3.22Å; F224-R226 PolarHBondContact O-N 3.42Å; R226-T228 VanDerWaalsContact C-N 3.33Å
227C86.9Confident86.1Confident2 Ų244.8 Ų44.81%0.01422%0.218CC..Hα-helixtrans-66.5-36.6177.5-175.90000111.7K140 M143 F161 M223 F224 Y225K140-C227 PolarHBondContact NZ-O 3.44Å; M143-C227 HydrophobicContact CE-CB 4.02Å; M143-C227 HydrophobicContact CG-CB 4.29Å; F161-C227 HydrophobicContact CE1-CB 3.54Å; F161-C227 HydrophobicContact CZ-CB 3.75Å; M223-C227 PolarHBondContact O-N 3.28Å; F224-C227 PolarHBondContact O-N 2.9Å; Y225-C227 VanDerWaalsContact C-N 3.27Å; Y225-C227 PolarHBondContact O-N 3.21Å
228T88.1Confident85.4Confident0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-108.913.4-171.157.90000113.7L126 I137 F224 Y225 R226 L230 E231 L232L126-T228 HydrophobicContact CD1-CG2 3.68Å; I137-T228 HydrophobicContact CD1-CG2 4.03Å; F224-T228 HydrophobicContact CE2-CG2 4.13Å; F224-T228 HydrophobicContact CZ-CG2 4.2Å; F224-T228 PolarHBondContact O-N 2.86Å; F224-T228 PolarHBondContact O-OG1 3.49Å; Y225-T228 CarbonylContact O-C 3.59Å; Y225-T228 PolarHBondContact O-N 2.93Å; Y225-T228 VanDerWaalsContact O-N 3.14Å; R226-T228 VanDerWaalsContact C-N 3.33Å; T228-L230 PolarHBondContact O-N 3.13Å; T228-E231 VanDerWaalsContact C-OE2 3.23Å; T228-E231 VanDerWaalsContact CA-OE2 3.3Å; T228-E231 WeakPolarHBondContact CA-OE2 3.41Å; T228-E231 PolarHBondContact O-N 2.85Å; T228-L232 WeakPolarHBondContact O-CB 3.4Å; T228-L232 WeakPolarHBondContact O-CG 3.39Å; T228-L232 PolarHBondContact O-N 2.85Å; T228-L232 VanDerWaalsContact OG1-CD1 3.26Å; T228-L232 WeakPolarHBondContact OG1-CD1 3.21Å
229R86.4Confident84.8Confident146 Ų14648.4 Ų48.455%0.55125%0.246SC*.THydrogen-bonded Turntrans-60-32.4-172.174.6-178.2-165.6-173.81.9113.6Y225 S233Y225-R229 HydrophobicContact CE2-CB 4.15Å; Y225-R229 WeakPolarHBondContact O-CA 3.25Å; Y225-R229 WeakPolarHBondContact O-CB 3.46Å; Y225-R229 PolarHBondContact O-N 3.17Å; R229-S233 PolarHBondContact O-N 3.34Å; R229-S233 VanDerWaalsContact O-N 3.15Å
230L86.7Confident84.5Confident114 Ų11448 Ų4860%0.59725%0.245SC*.THydrogen-bonded Turntrans-76.6-44-176.3-64.4177.5000109.9T228 S233T228-L230 PolarHBondContact O-N 3.13Å; L230-S233 WeakPolarHBondContact O-CB 3.46Å; L230-S233 PolarHBondContact O-N 3.42Å
231E87.1Confident84Confident20 Ų2050.3 Ų50.39%0.09326%0.255CS..THydrogen-bonded Turntrans-68.5-35.7178.3-63.678-174.100111.8L126 F130 K140 T228 S233 P234L126-E231 HydrophobicContact CD2-CB 3.4Å; L126-E231 VanDerWaalsContact CD2-CB 3.4Å; L126-E231 HydrophobicContact CD2-CG 4.4Å; F130-E231 HydrophobicContact CD2-CB 4.15Å; F130-E231 HydrophobicContact CD2-CG 4.34Å; F130-E231 HydrophobicContact CE1-CG 4.45Å; F130-E231 HydrophobicContact CE2-CB 3.57Å; F130-E231 HydrophobicContact CE2-CG 3.98Å; F130-E231 HydrophobicContact CZ-CB 3.96Å; F130-E231 HydrophobicContact CZ-CG 4.03Å; K140-E231 WeakPolarHBondContact CE-OE1 3.44Å; K140-E231 IonicContact NZ-OE1 3.49Å; K140-E231 PolarHBondContact NZ-OE1 3.27Å; K140-E231 IonicContact NZ-OE2 3.36Å; K140-E231 PolarHBondContact NZ-OE2 3.04Å; T228-E231 VanDerWaalsContact C-OE2 3.23Å; T228-E231 VanDerWaalsContact CA-OE2 3.3Å; T228-E231 WeakPolarHBondContact CA-OE2 3.41Å; T228-E231 PolarHBondContact O-N 2.85Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-P234 WeakPolarHBondContact O-CD 3.14Å
232L87Confident83.4Confident0 Ų055 Ų550%028%0.28CS..THydrogen-bonded Turntrans-82.4-10.6176.1-67.2173.2000113.3L122 Y125 L126 Y225 T228 P234 M235 P237L122-L232 HydrophobicContact CB-CD2 4.49Å; L122-L232 HydrophobicContact CD1-CD1 4.24Å; L122-L232 HydrophobicContact CD2-CD1 4.11Å; L122-L232 HydrophobicContact CD2-CD2 4.07Å; Y125-L232 HydrophobicContact CD1-CD2 3.6Å; Y125-L232 HydrophobicContact CE1-CD2 4.07Å; L126-L232 HydrophobicContact CD1-CD1 4.44Å; L126-L232 HydrophobicContact CD1-CD2 4.02Å; L126-L232 HydrophobicContact CD1-CG 4.16Å; L126-L232 HydrophobicContact CD2-CD2 3.79Å; L126-L232 HydrophobicContact CD2-CG 3.97Å; L126-L232 HydrophobicContact CG-CD2 3.67Å; L126-L232 HydrophobicContact CG-CG 4.17Å; Y225-L232 HydrophobicContact CD2-CD1 4.11Å; T228-L232 WeakPolarHBondContact O-CB 3.4Å; T228-L232 WeakPolarHBondContact O-CG 3.39Å; T228-L232 PolarHBondContact O-N 2.85Å; T228-L232 VanDerWaalsContact OG1-CD1 3.26Å; T228-L232 WeakPolarHBondContact OG1-CD1 3.21Å; L232-P234 VanDerWaalsContact C-N 3.31Å; L232-P234 VanDerWaalsContact O-N 3.17Å; L232-M235 HydrophobicContact CD2-CE 4.33Å; L232-M235 PolarHBondContact O-N 3.23Å; L232-P237 HydrophobicContact CB-CB 4.31Å; L232-P237 HydrophobicContact CB-CG 3.7Å; L232-P237 HydrophobicContact CD1-CB 4.46Å; L232-P237 HydrophobicContact CD1-CG 4.44Å; L232-P237 WeakPolarHBondContact O-CD 3.5Å
233S82.5Confident83Confident76 Ų7653.7 Ų53.753%0.53127%0.272SS..G310 helixtrans-47.8-43.8-176.6-174.20000114.2R229 L230 E231 M235 K236R229-S233 PolarHBondContact O-N 3.34Å; R229-S233 VanDerWaalsContact O-N 3.15Å; L230-S233 WeakPolarHBondContact O-CB 3.46Å; L230-S233 PolarHBondContact O-N 3.42Å; E231-S233 VanDerWaalsContact C-N 3.34Å; S233-M235 PolarHBondContact O-N 2.93Å; S233-M235 VanDerWaalsContact O-N 3.13Å; S233-K236 PolarHBondContact O-N 3.46Å; S233-K236 VanDerWaalsContact O-N 3.09Å
234P81Confident82.5Confident99 Ų9954.1 Ų54.164%0.64328%0.275SS*.G310 helixtrans-58.9-31-178.6-23.334.2000113.7E231 L232E231-P234 WeakPolarHBondContact O-CD 3.14Å; L232-P234 VanDerWaalsContact C-N 3.31Å; L232-P234 VanDerWaalsContact O-N 3.17Å
235M81.5Confident82Confident16 Ų1655.5 Ų55.58%0.07928%0.281CS..G310 helixtrans-87.5-5.6-176.3-168.8174.770.800113.6F121 L122 Y125 L232 S233 K240F121-M235 HydrophobicContact CD1-CE 4.16Å; F121-M235 HydrophobicContact CE1-CE 3.28Å; F121-M235 HydrophobicContact CE1-SD 3.76Å; F121-M235 HydrophobicContact CE2-CE 4.44Å; F121-M235 HydrophobicContact CE2-SD 4Å; F121-M235 HydrophobicContact CZ-CE 3.47Å; F121-M235 VanDerWaalsContact CZ-CE 3.47Å; F121-M235 HydrophobicContact CZ-SD 3.23Å; F121-M235 WeakPolarHBondContact CZ-SD 3.39Å; L122-M235 HydrophobicContact CD2-CE 3.59Å; Y125-M235 HydrophobicContact CD2-SD 3.65Å; Y125-M235 HydrophobicContact CE1-CB 4.41Å; Y125-M235 HydrophobicContact CE2-CB 4.16Å; Y125-M235 HydrophobicContact CE2-CG 4.44Å; Y125-M235 HydrophobicContact CE2-SD 3.97Å; Y125-M235 HydrophobicContact CG-CE 4.3Å; Y125-M235 HydrophobicContact CG-SD 3.93Å; L232-M235 HydrophobicContact CD2-CE 4.33Å; L232-M235 PolarHBondContact O-N 3.23Å; S233-M235 PolarHBondContact O-N 2.93Å; S233-M235 VanDerWaalsContact O-N 3.13Å; M235-K240 HydrophobicContact CG-CD 4.5Å; M235-K240 PolarHBondContact O-NZ 3.44Å
236K77.8Confident81.6Confident163 Ų16356.9 Ų56.971%0.70929%0.288SS*.  trans48.358.6-173.9-60.6179.1-177.3175.10112.7S233 V238 A239S233-K236 PolarHBondContact O-N 3.46Å; S233-K236 VanDerWaalsContact O-N 3.09Å; K236-V238 PolarHBondContact O-N 3.08Å; K236-A239 PolarHBondContact O-N 3.15Å
237P75.1Confident81.3Confident5 Ų551.3 Ų51.33%0.03227%0.268CS..Hα-helixtrans-63.3-26.4-173.730-42.5000113.2L122 Y225 L232 A239 K240 F241L122-P237 HydrophobicContact CD2-CB 4.21Å; Y225-P237 HydrophobicContact CD2-CB 4.41Å; Y225-P237 HydrophobicContact CD2-CG 4.07Å; Y225-P237 HydrophobicContact CE2-CB 4.16Å; Y225-P237 HydrophobicContact CE2-CG 3.4Å; L232-P237 HydrophobicContact CB-CB 4.31Å; L232-P237 HydrophobicContact CB-CG 3.7Å; L232-P237 HydrophobicContact CD1-CB 4.46Å; L232-P237 HydrophobicContact CD1-CG 4.44Å; L232-P237 WeakPolarHBondContact O-CD 3.5Å; P237-A239 PolarHBondContact O-N 3.06Å; P237-K240 PolarHBondContact O-N 3.45Å; P237-F241 VanDerWaalsContact O-CB 3.27Å; P237-F241 WeakPolarHBondContact O-CB 3.33Å; P237-F241 PolarHBondContact O-N 2.96Å
238V76.1Confident81Confident74 Ų7451.7 Ų51.745%0.44827%0.27SS..Hα-helixtrans-62.4-43.6-179-177.80000111.2Y225 K236 K240 F241 L242Y225-V238 HydrophobicContact CE1-CG2 3.92Å; Y225-V238 HydrophobicContact CE2-CG2 4.15Å; Y225-V238 WeakPolarHBondContact OH-CG2 3.44Å; K236-V238 PolarHBondContact O-N 3.08Å; V238-K240 VanDerWaalsContact C-N 3.3Å; V238-K240 PolarHBondContact O-N 2.9Å; V238-F241 PolarHBondContact O-N 3.35Å; V238-L242 WeakPolarHBondContact O-CB 3.36Å; V238-L242 PolarHBondContact O-N 2.71Å
239A76.5Confident80.8Confident49 Ų4956.6 Ų56.641%0.40529%0.291SS..Hα-helixtrans-62.6-42.2178.500000110.7K236 P237 C243K236-A239 PolarHBondContact O-N 3.15Å; P237-A239 PolarHBondContact O-N 3.06Å; A239-C243 VanDerWaalsContact O-CB 3.27Å; A239-C243 WeakPolarHBondContact O-CB 3.48Å; A239-C243 PolarHBondContact O-N 3.32Å
240K82.8Confident80.7Confident14 Ų1452.9 Ų52.96%0.06128%0.281CS..Hα-helixtrans-65.1-45.3176.6-64.6177.6-177.5174.30112F118 F121 M235 P237 V238 C243 V244 S304 F305 Y310F118-K240 HydrophobicContact CE2-CB 4.15Å; F121-K240 HydrophobicContact CE1-CD 4.26Å; M235-K240 HydrophobicContact CG-CD 4.5Å; M235-K240 PolarHBondContact O-NZ 3.44Å; P237-K240 PolarHBondContact O-N 3.45Å; V238-K240 VanDerWaalsContact C-N 3.3Å; V238-K240 PolarHBondContact O-N 2.9Å; K240-C243 PolarHBondContact O-N 3.2Å; K240-V244 WeakPolarHBondContact O-CG2 3.49Å; K240-V244 PolarHBondContact O-N 3.07Å; K240-V244 VanDerWaalsContact O-N 3.11Å; K240-S304 WeakPolarHBondContact CE-O 3.33Å; K240-F305 HydrophobicContact CB-CE1 3.71Å; K240-F305 HydrophobicContact CB-CE2 4.4Å; K240-F305 HydrophobicContact CB-CZ 3.6Å; K240-F305 HydrophobicContact CD-CD1 4.13Å; K240-F305 HydrophobicContact CD-CE1 3.88Å; K240-F305 HydrophobicContact CG-CD1 4.12Å; K240-F305 HydrophobicContact CG-CE1 3.72Å; K240-F305 HydrophobicContact CG-CZ 3.96Å; K240-Y310 PolarHBondContact NZ-OH 3.46Å
241F79Confident80.4Confident47 Ų4748 Ų4821%0.20626%0.256CS..Hα-helixtrans-63.9-47.1177.5178.4-113.9000111.7F118 L218 L221 V222 P237 V238 C243 V244 K245F118-F241 AromaticContact CD1-CD2 3.97Å; F118-F241 HydrophobicContact CD1-CD2 3.97Å; F118-F241 HydrophobicContact CE1-CB 3.86Å; F118-F241 AromaticContact CE1-CD2 3.38Å; F118-F241 HydrophobicContact CE1-CD2 3.38Å; F118-F241 HydrophobicContact CE1-CE2 4.35Å; F118-F241 HydrophobicContact CE1-CG 4.03Å; F118-F241 HydrophobicContact CZ-CB 3.64Å; F118-F241 HydrophobicContact CZ-CD2 4.06Å; F118-F241 HydrophobicContact CZ-CG 4.32Å; L218-F241 HydrophobicContact CD1-CE2 4.08Å; L218-F241 HydrophobicContact CD1-CZ 3.74Å; L221-F241 HydrophobicContact CD2-CD2 3.64Å; L221-F241 HydrophobicContact CD2-CE2 3.18Å; L221-F241 HydrophobicContact CD2-CZ 3.91Å; V222-F241 HydrophobicContact CG2-CZ 4.26Å; P237-F241 VanDerWaalsContact O-CB 3.27Å; P237-F241 WeakPolarHBondContact O-CB 3.33Å; P237-F241 PolarHBondContact O-N 2.96Å; V238-F241 PolarHBondContact O-N 3.35Å; F241-C243 VanDerWaalsContact C-N 3.34Å; F241-V244 PolarHBondContact O-N 3.38Å; F241-K245 HydrophobicContact CE2-CB 4.33Å; F241-K245 HydrophobicContact CZ-CB 4.35Å; F241-K245 HydrophobicContact CZ-CG 4.45Å; F241-K245 WeakPolarHBondContact O-CB 3.42Å; F241-K245 PolarHBondContact O-N 3.12Å
242L77.4Confident80.2Confident104 Ų10451.4 Ų51.455%0.54527%0.271SS..Hα-helixtrans-62.5-44.6177.9-174.964.2000109.6V238 V244 K245 F246V238-L242 WeakPolarHBondContact O-CB 3.36Å; V238-L242 PolarHBondContact O-N 2.71Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.27Å; L242-K245 PolarHBondContact O-N 2.98Å; L242-F246 HydrophobicContact CD1-CB 4.37Å; L242-F246 WeakPolarHBondContact O-CA 3.3Å; L242-F246 WeakPolarHBondContact O-CB 3.35Å; L242-F246 PolarHBondContact O-N 3.38Å
243C79.1Confident80Confident14 Ų1457.5 Ų57.510%0.09529%0.294CS..Hα-helixtrans-60.6-42.8179.7-157.30000112.3A239 K240 F241 V247 A300 H301 F305A239-C243 VanDerWaalsContact O-CB 3.27Å; A239-C243 WeakPolarHBondContact O-CB 3.48Å; A239-C243 PolarHBondContact O-N 3.32Å; K240-C243 PolarHBondContact O-N 3.2Å; F241-C243 VanDerWaalsContact C-N 3.34Å; C243-V247 WeakPolarHBondContact O-CG2 3.43Å; C243-A300 WeakPolarHBondContact SG-CB 3.29Å; C243-H301 PolarHBondContact SG-CD2 3.43Å; C243-F305 HydrophobicContact CB-CE2 4.45Å
244V77.3Confident80.1Confident10 Ų1055.8 Ų55.86%0.06128%0.277CS..Hα-helixtrans-69.1-47.4177.1172.30000111.8I79 V114 K240 F241 L242 F305I79-V244 HydrophobicContact CG2-CG2 3.45Å; I79-V244 VanDerWaalsContact CG2-CG2 3.45Å; V114-V244 HydrophobicContact CG1-CG1 3.38Å; K240-V244 WeakPolarHBondContact O-CG2 3.49Å; K240-V244 PolarHBondContact O-N 3.07Å; K240-V244 VanDerWaalsContact O-N 3.11Å; F241-V244 PolarHBondContact O-N 3.38Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.27Å; V244-F305 HydrophobicContact CG2-CE2 4.07Å; V244-F305 HydrophobicContact CG2-CZ 3.79Å
245K79.8Confident80.2Confident31 Ų3153.1 Ų53.114%0.13526%0.261CS..Hα-helixtrans-78.5-33.9-173.5-17058.3179.7174.80112.8E111 L218 F241 L242 V247 V248 F249E111-K245 IonicContact OE1-NZ 2.75Å; E111-K245 PolarHBondContact OE1-NZ 3.02Å; L218-K245 HydrophobicContact CD1-CD 3.92Å; L218-K245 HydrophobicContact CD1-CG 4.28Å; F241-K245 HydrophobicContact CE2-CB 4.33Å; F241-K245 HydrophobicContact CZ-CB 4.35Å; F241-K245 HydrophobicContact CZ-CG 4.45Å; F241-K245 WeakPolarHBondContact O-CB 3.42Å; F241-K245 PolarHBondContact O-N 3.12Å; L242-K245 PolarHBondContact O-N 2.98Å; K245-V247 PolarHBondContact O-N 3.46Å; K245-V248 PolarHBondContact O-N 3.31Å; K245-F249 WeakPolarHBondContact O-CB 3.44Å; K245-F249 PolarHBondContact O-N 3.2Å
246F79.9Confident80.4Confident91 Ų9155.4 Ų55.440%0.39927%0.273SS..Hα-helixtrans-58.7-37.8178.5-178.1-96.8000111.1L242 F249 M250L242-F246 HydrophobicContact CD1-CB 4.37Å; L242-F246 WeakPolarHBondContact O-CA 3.3Å; L242-F246 WeakPolarHBondContact O-CB 3.35Å; L242-F246 PolarHBondContact O-N 3.38Å; F246-F249 PolarHBondContact O-N 2.94Å; F246-M250 HydrophobicContact CD1-CG 3.94Å; F246-M250 HydrophobicContact CD2-CG 4.2Å; F246-M250 HydrophobicContact CE1-CE 4.09Å; F246-M250 HydrophobicContact CE1-CG 3.63Å; F246-M250 HydrophobicContact CE2-CE 3.44Å; F246-M250 VanDerWaalsContact CE2-CE 3.44Å; F246-M250 HydrophobicContact CE2-CG 3.91Å; F246-M250 HydrophobicContact CE2-SD 4.36Å; F246-M250 HydrophobicContact CG-CG 4.23Å; F246-M250 HydrophobicContact CZ-CE 3.18Å; F246-M250 HydrophobicContact CZ-CG 3.63Å; F246-M250 HydrophobicContact CZ-SD 4.21Å; F246-M250 VanDerWaalsContact O-CB 3.28Å; F246-M250 WeakPolarHBondContact O-CB 3.33Å; F246-M250 WeakPolarHBondContact O-CG 3.45Å; F246-M250 PolarHBondContact O-N 3.06Å
247V80Confident80.8Confident3 Ų352.6 Ų52.62%0.01827%0.265CS..Hα-helixtrans-59-54.3175.3169.80000111.4M82 Y86 C243 K245 F249 M250 S251 E293 M294 A297M82-V247 HydrophobicContact CE-CB 3.9Å; M82-V247 HydrophobicContact CE-CG1 3.44Å; M82-V247 VanDerWaalsContact CE-CG1 3.44Å; Y86-V247 HydrophobicContact CD1-CG1 4.43Å; C243-V247 WeakPolarHBondContact O-CG2 3.43Å; K245-V247 PolarHBondContact O-N 3.46Å; V247-F249 VanDerWaalsContact C-N 3.32Å; V247-F249 PolarHBondContact O-N 3.23Å; V247-M250 PolarHBondContact O-N 3.47Å; V247-S251 PolarHBondContact O-N 2.99Å; V247-S251 VanDerWaalsContact O-N 3.14Å; V247-S251 PolarHBondContact O-OG 3.42Å; V247-E293 VanDerWaalsContact C-OE1 3.3Å; V247-E293 WeakPolarHBondContact CA-OE1 3.35Å; V247-M294 HydrophobicContact CB-CE 4.5Å; V247-M294 HydrophobicContact CG1-CE 3.32Å; V247-M294 HydrophobicContact CG1-SD 4Å; V247-A297 HydrophobicContact CG2-CB 3.51Å
248V79.4Confident81.3Confident9 Ų953 Ų536%0.05527%0.267CS..Hα-helixtrans-61.1-45.7177.6177.60000111M82 E111 K245 M250 S251 F252M82-V248 HydrophobicContact CE-CG2 3.66Å; E111-V248 HydrophobicContact CG-CG1 4.26Å; E111-V248 HydrophobicContact CG-CG2 3.77Å; E111-V248 VanDerWaalsContact OE1-CG1 3.32Å; E111-V248 WeakPolarHBondContact OE1-CG1 3.42Å; E111-V248 WeakPolarHBondContact OE2-CG1 3.27Å; K245-V248 PolarHBondContact O-N 3.31Å; V248-M250 PolarHBondContact O-N 3.43Å; V248-S251 PolarHBondContact O-N 2.96Å; V248-S251 PolarHBondContact O-OG 3.27Å; V248-F252 PolarHBondContact O-N 3.36Å
249F83.6Confident81.5Confident103 Ų10352.3 Ų52.345%0.45227%0.269SS..Hα-helixtrans-64.4-40.6-174.9-175.8-100000112K245 F246 V247 F252 W253K245-F249 WeakPolarHBondContact O-CB 3.44Å; K245-F249 PolarHBondContact O-N 3.2Å; F246-F249 PolarHBondContact O-N 2.94Å; V247-F249 VanDerWaalsContact C-N 3.32Å; V247-F249 PolarHBondContact O-N 3.23Å; F249-F252 PolarHBondContact O-N 2.92Å; F249-W253 AromaticContact CD1-CD1 3.63Å; F249-W253 AromaticContact CD2-NE1 3.9Å; F249-W253 AromaticContact CE1-CD1 3.33Å; F249-W253 HydrophobicContact CE1-CG 4.5Å; F249-W253 AromaticContact CE1-NE1 3.32Å; F249-W253 VanDerWaalsContact CE1-NE1 3.32Å; F249-W253 AromaticContact CE2-CD1 3.74Å; F249-W253 AromaticContact CE2-NE1 3.2Å; F249-W253 AromaticContact CG-CD1 3.98Å; F249-W253 AromaticContact CZ-CD1 3.43Å; F249-W253 VanDerWaalsContact CZ-CD1 3.43Å; F249-W253 AromaticContact CZ-NE1 2.89Å; F249-W253 VanDerWaalsContact O-CD1 3.28Å; F249-W253 PolarHBondContact O-N 3.23Å
250M84.6Confident81.8Confident69 Ų6953.6 Ų53.634%0.3427%0.272SS..Hα-helixtrans-65.9-45.5176-80.3-59.3-157.600111.2F246 V247 V248 F252 W253 Q254 E293F246-M250 HydrophobicContact CD1-CG 3.94Å; F246-M250 HydrophobicContact CD2-CG 4.2Å; F246-M250 HydrophobicContact CE1-CE 4.09Å; F246-M250 HydrophobicContact CE1-CG 3.63Å; F246-M250 HydrophobicContact CE2-CE 3.44Å; F246-M250 VanDerWaalsContact CE2-CE 3.44Å; F246-M250 HydrophobicContact CE2-CG 3.91Å; F246-M250 HydrophobicContact CE2-SD 4.36Å; F246-M250 HydrophobicContact CG-CG 4.23Å; F246-M250 HydrophobicContact CZ-CE 3.18Å; F246-M250 HydrophobicContact CZ-CG 3.63Å; F246-M250 HydrophobicContact CZ-SD 4.21Å; F246-M250 VanDerWaalsContact O-CB 3.28Å; F246-M250 WeakPolarHBondContact O-CB 3.33Å; F246-M250 WeakPolarHBondContact O-CG 3.45Å; F246-M250 PolarHBondContact O-N 3.06Å; V247-M250 PolarHBondContact O-N 3.47Å; V248-M250 PolarHBondContact O-N 3.43Å; M250-F252 VanDerWaalsContact C-N 3.26Å; M250-F252 PolarHBondContact O-N 2.99Å; M250-W253 PolarHBondContact O-N 3.04Å; M250-Q254 WeakPolarHBondContact O-CB 3.5Å; M250-Q254 WeakPolarHBondContact O-CG 3.39Å; M250-Q254 PolarHBondContact O-N 2.84Å; M250-E293 WeakPolarHBondContact CB-OE2 3.28Å
251S81.2Confident81.9Confident10 Ų1055.6 Ų55.67%0.0728%0.283CS..Hα-helixtrans-60.8-34.1176.570.40000113.4V247 V248 S255V247-S251 PolarHBondContact O-N 2.99Å; V247-S251 VanDerWaalsContact O-N 3.14Å; V247-S251 PolarHBondContact O-OG 3.42Å; V248-S251 PolarHBondContact O-N 2.96Å; V248-S251 PolarHBondContact O-OG 3.27Å; S251-S255 PolarHBondContact O-N 3.2Å; S251-S255 VanDerWaalsContact O-N 3.1Å
252F82.2Confident81.8Confident92 Ų9254.6 Ų54.640%0.40428%0.283SS..Hα-helixtrans-66.7-50.1173.2175.8-100.7000112.6V248 F249 M250 Q254 S255 I256V248-F252 PolarHBondContact O-N 3.36Å; F249-F252 PolarHBondContact O-N 2.92Å; M250-F252 VanDerWaalsContact C-N 3.26Å; M250-F252 PolarHBondContact O-N 2.99Å; F252-Q254 VanDerWaalsContact C-N 3.29Å; F252-Q254 PolarHBondContact O-N 2.93Å; F252-S255 WeakPolarHBondContact O-CB 3.36Å; F252-S255 PolarHBondContact O-N 2.81Å; F252-S255 VanDerWaalsContact O-N 3.13Å; F252-I256 HydrophobicContact CD1-CD1 3.94Å; F252-I256 HydrophobicContact CE1-CD1 3.28Å; F252-I256 HydrophobicContact CE1-CG1 4.37Å; F252-I256 HydrophobicContact CE2-CD1 4.16Å; F252-I256 HydrophobicContact CZ-CD1 3.43Å; F252-I256 VanDerWaalsContact CZ-CD1 3.43Å; F252-I256 HydrophobicContact CZ-CG1 4.35Å; F252-I256 PolarHBondContact O-N 2.86Å; F252-I256 VanDerWaalsContact O-N 3.07Å
253W84.2Confident81.9Confident129 Ų12953.9 Ų53.949%0.48929%0.292SS..Hα-helixtrans-65.7-32.6178.4-83.1102000112.7F249 M250 I256 L257F249-W253 AromaticContact CD1-CD1 3.63Å; F249-W253 AromaticContact CD2-NE1 3.9Å; F249-W253 AromaticContact CE1-CD1 3.33Å; F249-W253 HydrophobicContact CE1-CG 4.5Å; F249-W253 AromaticContact CE1-NE1 3.32Å; F249-W253 VanDerWaalsContact CE1-NE1 3.32Å; F249-W253 AromaticContact CE2-CD1 3.74Å; F249-W253 AromaticContact CE2-NE1 3.2Å; F249-W253 AromaticContact CG-CD1 3.98Å; F249-W253 AromaticContact CZ-CD1 3.43Å; F249-W253 VanDerWaalsContact CZ-CD1 3.43Å; F249-W253 AromaticContact CZ-NE1 2.89Å; F249-W253 VanDerWaalsContact O-CD1 3.28Å; F249-W253 PolarHBondContact O-N 3.23Å; M250-W253 PolarHBondContact O-N 3.04Å; W253-I256 PolarHBondContact O-N 3.18Å; W253-L257 WeakPolarHBondContact O-CB 3.47Å; W253-L257 PolarHBondContact O-N 2.98Å
254Q84Confident82.1Confident39 Ų3957.3 Ų57.318%0.18231%0.313CS..Hα-helixtrans-59.9-47.4170.3-73.1163.59.600110.8M250 F252 I256 L257 I258 E293M250-Q254 WeakPolarHBondContact O-CB 3.5Å; M250-Q254 WeakPolarHBondContact O-CG 3.39Å; M250-Q254 PolarHBondContact O-N 2.84Å; F252-Q254 VanDerWaalsContact C-N 3.29Å; F252-Q254 PolarHBondContact O-N 2.93Å; Q254-I256 PolarHBondContact O-N 3.33Å; Q254-L257 PolarHBondContact O-N 3.32Å; Q254-I258 VanDerWaalsContact O-CB 3.31Å; Q254-I258 WeakPolarHBondContact O-CB 3.36Å; Q254-I258 WeakPolarHBondContact O-CD1 3.5Å; Q254-I258 WeakPolarHBondContact O-CG1 3.3Å; Q254-I258 PolarHBondContact O-N 3.46Å; Q254-E293 PolarHBondContact NE2-OE2 3.31Å
255S83.5Confident81.8Confident44 Ų4459 Ų5931%0.30833%0.333SS..Hα-helixtrans-57.8-47177.6-161.90000111.9S251 F252 I258 A259 Q286S251-S255 PolarHBondContact O-N 3.2Å; S251-S255 VanDerWaalsContact O-N 3.1Å; F252-S255 WeakPolarHBondContact O-CB 3.36Å; F252-S255 PolarHBondContact O-N 2.81Å; F252-S255 VanDerWaalsContact O-N 3.13Å; S255-I258 PolarHBondContact O-N 2.92Å; S255-A259 WeakPolarHBondContact O-CB 3.32Å; S255-A259 PolarHBondContact O-N 3.46Å; S255-Q286 PolarHBondContact OG-OE1 3.43Å
256I84.1Confident81.5Confident64 Ų6462.6 Ų62.633%0.32836%0.357SS..Hα-helixtrans-62.7-48.7176.6-66.9176.9000111.2F252 W253 Q254 I258 A259 V260F252-I256 HydrophobicContact CD1-CD1 3.94Å; F252-I256 HydrophobicContact CE1-CD1 3.28Å; F252-I256 HydrophobicContact CE1-CG1 4.37Å; F252-I256 HydrophobicContact CE2-CD1 4.16Å; F252-I256 HydrophobicContact CZ-CD1 3.43Å; F252-I256 VanDerWaalsContact CZ-CD1 3.43Å; F252-I256 HydrophobicContact CZ-CG1 4.35Å; F252-I256 PolarHBondContact O-N 2.86Å; F252-I256 VanDerWaalsContact O-N 3.07Å; W253-I256 PolarHBondContact O-N 3.18Å; Q254-I256 PolarHBondContact O-N 3.33Å; I256-I258 VanDerWaalsContact C-N 3.27Å; I256-I258 PolarHBondContact O-N 3.23Å; I256-A259 PolarHBondContact O-N 3.47Å; I256-A259 VanDerWaalsContact O-N 3.16Å; I256-V260 HydrophobicContact CG2-CG2 4.31Å; I256-V260 WeakPolarHBondContact O-CG2 3.19Å; I256-V260 PolarHBondContact O-N 3.16Å
257L87Confident80.9Confident103 Ų10359.4 Ų59.454%0.53934%0.344SS..Hα-helixtrans-58.7-43.6-179.1178.461.7000110.7W253 Q254 V260 L261W253-L257 WeakPolarHBondContact O-CB 3.47Å; W253-L257 PolarHBondContact O-N 2.98Å; Q254-L257 PolarHBondContact O-N 3.32Å; L257-V260 PolarHBondContact O-N 3.42Å; L257-L261 HydrophobicContact CD1-CD1 4.26Å; L257-L261 HydrophobicContact CD1-CG 4.35Å; L257-L261 HydrophobicContact CG-CD1 4.03Å; L257-L261 WeakPolarHBondContact O-CB 3.41Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 2.84Å
258I85Confident79.9Confident14 Ų1469.3 Ų69.37%0.07238%0.381CS..Hα-helixtrans-65-42.5177.2-69.4167.6000110.9Q254 S255 I256 V260 L261 A262 L285 Q286Q254-I258 VanDerWaalsContact O-CB 3.31Å; Q254-I258 WeakPolarHBondContact O-CB 3.36Å; Q254-I258 WeakPolarHBondContact O-CD1 3.5Å; Q254-I258 WeakPolarHBondContact O-CG1 3.3Å; Q254-I258 PolarHBondContact O-N 3.46Å; S255-I258 PolarHBondContact O-N 2.92Å; I256-I258 VanDerWaalsContact C-N 3.27Å; I256-I258 PolarHBondContact O-N 3.23Å; I258-V260 PolarHBondContact O-N 3.23Å; I258-L261 PolarHBondContact O-N 3.46Å; I258-A262 WeakPolarHBondContact O-CB 3.47Å; I258-A262 PolarHBondContact O-N 3.03Å; I258-L285 HydrophobicContact CD1-CB 4.19Å; I258-L285 HydrophobicContact CD1-CD2 4.28Å; I258-L285 HydrophobicContact CD1-CG 4.03Å; I258-L285 HydrophobicContact CG1-CD2 4.07Å; I258-L285 HydrophobicContact CG1-CG 4.36Å; I258-Q286 VanDerWaalsContact CD1-CA 3.5Å; I258-Q286 HydrophobicContact CD1-CB 3.63Å; I258-Q286 HydrophobicContact CD1-CG 4.36Å
259A80.7Confident78.7Confident59 Ų5975.9 Ų75.949%0.48841%0.408SS..Hα-helixtrans-62.5-41.1175.900000112.2S255 I256 A262 A263S255-A259 WeakPolarHBondContact O-CB 3.32Å; S255-A259 PolarHBondContact O-N 3.46Å; I256-A259 PolarHBondContact O-N 3.47Å; I256-A259 VanDerWaalsContact O-N 3.16Å; A259-A262 WeakPolarHBondContact O-CB 3.38Å; A259-A262 PolarHBondContact O-N 3.28Å; A259-A263 WeakPolarHBondContact O-CB 3.34Å; A259-A263 PolarHBondContact O-N 3.42Å
260V83.9Confident77.3Confident77 Ų7774.2 Ų74.247%0.46741%0.407SS..Hα-helixtrans-66.8-42.2175.2172.40000111.2I256 L257 I258 A262 A263 T264I256-V260 HydrophobicContact CG2-CG2 4.31Å; I256-V260 WeakPolarHBondContact O-CG2 3.19Å; I256-V260 PolarHBondContact O-N 3.16Å; L257-V260 PolarHBondContact O-N 3.42Å; I258-V260 PolarHBondContact O-N 3.23Å; V260-A262 VanDerWaalsContact C-N 3.3Å; V260-A262 PolarHBondContact O-N 2.66Å; V260-A263 PolarHBondContact O-N 2.89Å; V260-T264 HydrophobicContact CG1-CG2 4.28Å; V260-T264 WeakPolarHBondContact O-CB 3.38Å; V260-T264 VanDerWaalsContact O-CG2 3.31Å; V260-T264 WeakPolarHBondContact O-CG2 3.28Å; V260-T264 PolarHBondContact O-N 2.92Å; V260-T264 PolarHBondContact O-OG1 3.41Å
261L83.2Confident75.7Confident56 Ų5679.6 Ų79.629%0.29343%0.431SS..Hα-helixtrans-64.8-34.2176-72.4171.2000112.5L257 I258 T264 V266 I267L257-L261 HydrophobicContact CD1-CD1 4.26Å; L257-L261 HydrophobicContact CD1-CG 4.35Å; L257-L261 HydrophobicContact CG-CD1 4.03Å; L257-L261 WeakPolarHBondContact O-CB 3.41Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 2.84Å; I258-L261 PolarHBondContact O-N 3.46Å; L261-T264 WeakPolarHBondContact CA-OG1 3.1Å; L261-T264 PolarHBondContact O-OG1 3.09Å; L261-V266 HydrophobicContact CD2-CB 4.26Å; L261-V266 HydrophobicContact CD2-CG1 4.27Å; L261-V266 PolarHBondContact O-N 2.99Å; L261-I267 HydrophobicContact CB-CD1 3.84Å; L261-I267 HydrophobicContact CB-CG1 3.96Å; L261-I267 PolarHBondContact O-N 3.43Å
262A78.1Confident74.3Confident25 Ų2580.9 Ų80.921%0.20744%0.442CS..Hα-helixtrans-67.1-46.2171.700000111.6I258 A259 V260 G265 I267 V278I258-A262 WeakPolarHBondContact O-CB 3.47Å; I258-A262 PolarHBondContact O-N 3.03Å; A259-A262 WeakPolarHBondContact O-CB 3.38Å; A259-A262 PolarHBondContact O-N 3.28Å; V260-A262 VanDerWaalsContact C-N 3.3Å; V260-A262 PolarHBondContact O-N 2.66Å; A262-G265 PolarHBondContact O-N 3.15Å; A262-I267 HydrophobicContact CB-CD1 4.29Å; A262-V278 HydrophobicContact CB-CG1 3.7Å
263A78.3Confident72.9Confident89 Ų8978.5 Ų78.574%0.73643%0.431SS*.Hα-helixtrans-67.5-35.6-179.400000113.2A259 V260 G265A259-A263 WeakPolarHBondContact O-CB 3.34Å; A259-A263 PolarHBondContact O-N 3.42Å; V260-A263 PolarHBondContact O-N 2.89Å; A263-G265 PolarHBondContact O-N 3.27Å
264T83.7Confident71.3Confident87 Ų8779.7 Ų79.753%0.53444%0.439SS..THydrogen-bonded Turntrans-75.2-5.1176.751.80000113.4V260 L261 V266V260-T264 HydrophobicContact CG1-CG2 4.28Å; V260-T264 WeakPolarHBondContact O-CB 3.38Å; V260-T264 VanDerWaalsContact O-CG2 3.31Å; V260-T264 WeakPolarHBondContact O-CG2 3.28Å; V260-T264 PolarHBondContact O-N 2.92Å; V260-T264 PolarHBondContact O-OG1 3.41Å; L261-T264 WeakPolarHBondContact CA-OG1 3.1Å; L261-T264 PolarHBondContact O-OG1 3.09Å; T264-V266 PolarHBondContact O-N 2.8Å
265G70.8Confident70Confident46 Ų4679.9 Ų79.947%0.47444%0.441SS..THydrogen-bonded Turntrans71.67.4179.700000114.5A262 A263 I267 R268A262-G265 PolarHBondContact O-N 3.15Å; A263-G265 PolarHBondContact O-N 3.27Å; G265-I267 PolarHBondContact O-N 2.95Å; G265-R268 PolarHBondContact O-N 3.18Å
266V75.1Confident68.6Low106 Ų10687.7 Ų87.764%0.64247%0.465SS*.  trans-63.2-37.6174.5176.70000109.9L261 T264 R268L261-V266 HydrophobicContact CD2-CB 4.26Å; L261-V266 HydrophobicContact CD2-CG1 4.27Å; L261-V266 PolarHBondContact O-N 2.99Å; T264-V266 PolarHBondContact O-N 2.8Å; V266-R268 PolarHBondContact O-N 3.37Å
267I66.8Low68Low23 Ų2387.8 Ų87.812%0.11847%0.467CS..SBendtrans-75.868.8164.3-49.7177000107.7L261 A262 G265 K269 I281L261-I267 HydrophobicContact CB-CD1 3.84Å; L261-I267 HydrophobicContact CB-CG1 3.96Å; L261-I267 PolarHBondContact O-N 3.43Å; A262-I267 HydrophobicContact CB-CD1 4.29Å; G265-I267 PolarHBondContact O-N 2.95Å; I267-K269 PolarHBondContact O-N 2.9Å; I267-I281 HydrophobicContact CG2-CG2 3.91Å
268R57.9Low67.3Low211 Ų21185 Ų8580%0.79645%0.454SS*.  trans-51.7137163.9-177.6165.870.3122.3-1.7106.6G265 V266 V270G265-R268 PolarHBondContact O-N 3.18Å; V266-R268 PolarHBondContact O-N 3.37Å; R268-V270 WeakPolarHBondContact O-CA 3.32Å; R268-V270 WeakPolarHBondContact O-CG2 3.15Å; R268-V270 PolarHBondContact O-N 3.15Å
269K54.7Low66.7Low147 Ų14790.3 Ų90.364%0.63948%0.478SS*.  trans-38.992.2172.5-75-179176.4178.70109I267 E271I267-K269 PolarHBondContact O-N 2.9Å; K269-E271 VanDerWaalsContact C-N 3.35Å; K269-E271 PolarHBondContact O-N 2.94Å
270V53.8Low66.5Low68 Ų6889.5 Ų89.541%0.41247%0.469SS..  trans-80.8103.3-177.1-163.40000101.6R268 A272 W273R268-V270 WeakPolarHBondContact O-CA 3.32Å; R268-V270 WeakPolarHBondContact O-CG2 3.15Å; R268-V270 PolarHBondContact O-N 3.15Å; V270-A272 HydrophobicContact CB-CB 4.15Å; V270-A272 HydrophobicContact CG1-CB 3.31Å; V270-A272 PolarHBondContact O-N 3.47Å; V270-W273 PolarHBondContact O-N 3.05Å; V270-W273 VanDerWaalsContact O-N 3.14Å
271E52.6Low66.3Low183 Ų18386.3 Ų86.386%0.85545%0.449SS*.G310 helixtrans-48.2-20.2172-70.8-177150.300111.7K269 W273 K274K269-E271 VanDerWaalsContact C-N 3.35Å; K269-E271 PolarHBondContact O-N 2.94Å; E271-W273 PolarHBondContact O-N 2.97Å; E271-W273 VanDerWaalsContact O-N 3.09Å; E271-K274 PolarHBondContact O-N 3.39Å
272A50.3Low66.3Low37 Ų3784 Ų8431%0.30644%0.439SS..G310 helixtrans-50-29.2174.900000115.4A37 V270A37-A272 HydrophobicContact CB-CB 3.73Å; A37-A272 PolarHBondContact N-O 3.23Å; V270-A272 HydrophobicContact CB-CB 4.15Å; V270-A272 HydrophobicContact CG1-CB 3.31Å; V270-A272 PolarHBondContact O-N 3.47Å
273W52.6Low66.6Low42 Ų4285.5 Ų85.516%0.15944%0.443CS..G310 helixtrans-100.5-6.8-176.7-63.779.6000114.3I38 A41 V270 E271 L275 A284I38-W273 HydrophobicContact CB-CD2 4.36Å; I38-W273 HydrophobicContact CB-CE3 3.67Å; I38-W273 HydrophobicContact CB-CZ3 4.17Å; I38-W273 HydrophobicContact CD1-CE3 3.34Å; I38-W273 HydrophobicContact CD1-CZ3 3.55Å; I38-W273 HydrophobicContact CG1-CE3 4.03Å; I38-W273 HydrophobicContact CG1-CZ3 4.36Å; A41-W273 HydrophobicContact CB-CH2 3.28Å; A41-W273 HydrophobicContact CB-CZ2 4.29Å; A41-W273 HydrophobicContact CB-CZ3 3.7Å; V270-W273 PolarHBondContact O-N 3.05Å; V270-W273 VanDerWaalsContact O-N 3.14Å; E271-W273 PolarHBondContact O-N 2.97Å; E271-W273 VanDerWaalsContact O-N 3.09Å; W273-L275 HydrophobicContact CB-CB 4.4Å; W273-L275 WeakPolarHBondContact O-CD1 3.32Å; W273-L275 PolarHBondContact O-N 3.43Å; W273-A284 HydrophobicContact CE3-CB 4.38Å; W273-A284 HydrophobicContact CZ3-CB 4.28Å
274K51.8Low66.9Low154 Ų15481.7 Ų81.767%0.6741%0.411SS*.  trans49.814.4-170.3-68.6-172.7176.4-178.20114.6E271E271-K274 PolarHBondContact O-N 3.39Å
275L55.7Low67.1Low42 Ų4280.7 Ų80.722%0.2240%0.402CS..  trans-90.4118.2171.5-91.862.9000106.8W273 D277 S280 I281W273-L275 HydrophobicContact CB-CB 4.4Å; W273-L275 WeakPolarHBondContact O-CD1 3.32Å; W273-L275 PolarHBondContact O-N 3.43Å; L275-D277 VanDerWaalsContact C-N 3.3Å; L275-S280 WeakPolarHBondContact CD2-O 3.48Å; L275-I281 HydrophobicContact CB-CG1 3.77Å; L275-I281 HydrophobicContact CD2-CG1 4.39Å
276Y55.3Low68.1Low209 Ų20980 Ų8082%0.8239%0.386SS*.  trans-77.7-20-177.7-66.2-81.6000112.9
277D70.1Confident68.8Low66 Ų6675 Ų7535%0.35336%0.356SS..SBendtrans-101.4134-176.8171.351.4000111.8L275 Q279 S280 I281L275-D277 VanDerWaalsContact C-N 3.3Å; D277-Q279 VanDerWaalsContact C-N 3.33Å; D277-Q279 PolarHBondContact OD1-N 3.45Å; D277-Q279 VanDerWaalsContact OD2-CB 3.29Å; D277-Q279 WeakPolarHBondContact OD2-CB 3.32Å; D277-Q279 PolarHBondContact OD2-N 3.02Å; D277-S280 PolarHBondContact O-N 3.09Å; D277-S280 PolarHBondContact OD2-N 3.27Å; D277-S280 PolarHBondContact OD2-OG 3.46Å; D277-I281 PolarHBondContact O-N 2.92Å
278V72.3Confident70Confident45 Ų4576 Ų7627%0.27336%0.36SS..Hα-helixtrans-68.5-34.5-176.7-179.20000110.7A262 I281 G282A262-V278 HydrophobicContact CB-CG1 3.7Å; V278-I281 PolarHBondContact O-N 2.98Å; V278-G282 PolarHBondContact O-N 3.32Å
279Q72.5Confident71.7Confident124 Ų12467.1 Ų67.158%0.57933%0.332SS*.Hα-helixtrans-67.4-43.9179.9-54.2175.5-32.800110.5D277 I281 G282 I283D277-Q279 VanDerWaalsContact C-N 3.33Å; D277-Q279 PolarHBondContact OD1-N 3.45Å; D277-Q279 VanDerWaalsContact OD2-CB 3.29Å; D277-Q279 WeakPolarHBondContact OD2-CB 3.32Å; D277-Q279 PolarHBondContact OD2-N 3.02Å; Q279-I281 VanDerWaalsContact C-N 3.28Å; Q279-I281 PolarHBondContact O-N 3.14Å; Q279-G282 WeakPolarHBondContact O-CA 3.38Å; Q279-G282 PolarHBondContact O-N 2.81Å; Q279-I283 WeakPolarHBondContact O-CG1 3.28Å; Q279-I283 PolarHBondContact O-N 3.47Å
280S76.4Confident73.5Confident43 Ų4360.1 Ų60.130%0.30130%0.301SS..Hα-helixtrans-57.9-39176.9-57.70000112.6L275 D277 G282 I283 A284L275-S280 WeakPolarHBondContact CD2-O 3.48Å; D277-S280 PolarHBondContact O-N 3.09Å; D277-S280 PolarHBondContact OD2-N 3.27Å; D277-S280 PolarHBondContact OD2-OG 3.46Å; S280-G282 VanDerWaalsContact C-N 3.33Å; S280-I283 PolarHBondContact O-N 3.49Å; S280-A284 PolarHBondContact O-N 3.36Å
281I81.4Confident75.4Confident9 Ų956.9 Ų56.95%0.04628%0.282CS..Hα-helixtrans-64.2-41.2174.9-64.5169.5000110.4I267 L275 D277 V278 Q279 A284 L285I267-I281 HydrophobicContact CG2-CG2 3.91Å; L275-I281 HydrophobicContact CB-CG1 3.77Å; L275-I281 HydrophobicContact CD2-CG1 4.39Å; D277-I281 PolarHBondContact O-N 2.92Å; V278-I281 PolarHBondContact O-N 2.98Å; Q279-I281 VanDerWaalsContact C-N 3.28Å; Q279-I281 PolarHBondContact O-N 3.14Å; I281-A284 PolarHBondContact O-N 2.73Å; I281-L285 WeakPolarHBondContact O-CB 3.44Å; I281-L285 PolarHBondContact O-N 3.37Å
282G82.9Confident77.3Confident7 Ų750.6 Ų50.67%0.07225%0.254CS..Hα-helixtrans-61.1-46.1176.600000112.6V278 Q279 S280 A284 L285 Q286V278-G282 PolarHBondContact O-N 3.32Å; Q279-G282 WeakPolarHBondContact O-CA 3.38Å; Q279-G282 PolarHBondContact O-N 2.81Å; S280-G282 VanDerWaalsContact C-N 3.33Å; G282-A284 VanDerWaalsContact C-N 3.32Å; G282-A284 PolarHBondContact O-N 3.45Å; G282-L285 PolarHBondContact O-N 3.44Å; G282-Q286 WeakPolarHBondContact O-CB 3.22Å; G282-Q286 PolarHBondContact O-N 2.95Å
283I83.7Confident79.4Confident58 Ų5849.6 Ų49.630%0.29724%0.243SC..Hα-helixtrans-60.4-42.7176.7-65.4167.2000110.9A100 Q279 S280 Q286 N287A100-I283 HydrophobicContact CB-CG2 4Å; Q279-I283 WeakPolarHBondContact O-CG1 3.28Å; Q279-I283 PolarHBondContact O-N 3.47Å; S280-I283 PolarHBondContact O-N 3.49Å; I283-Q286 PolarHBondContact O-N 2.99Å; I283-N287 WeakPolarHBondContact CG2-ND2 3.16Å; I283-N287 WeakPolarHBondContact O-CB 3.27Å; I283-N287 PolarHBondContact O-N 3.41Å; I283-N287 PolarHBondContact O-ND2 2.77Å
284A85.7Confident81.3Confident8 Ų847.7 Ų47.77%0.06624%0.235CC..Hα-helixtrans-63.8-44.7176.900000111.9L94 W273 S280 I281 G282 Q286 N287 F288L94-A284 HydrophobicContact CD1-CB 3.91Å; L94-A284 WeakPolarHBondContact CD1-O 3.42Å; W273-A284 HydrophobicContact CE3-CB 4.38Å; W273-A284 HydrophobicContact CZ3-CB 4.28Å; S280-A284 PolarHBondContact O-N 3.36Å; I281-A284 PolarHBondContact O-N 2.73Å; G282-A284 VanDerWaalsContact C-N 3.32Å; G282-A284 PolarHBondContact O-N 3.45Å; A284-Q286 VanDerWaalsContact C-N 3.34Å; A284-Q286 PolarHBondContact O-N 2.75Å; A284-N287 PolarHBondContact O-N 3.01Å; A284-F288 WeakPolarHBondContact O-CB 3.23Å; A284-F288 PolarHBondContact O-N 3.4Å
285L87.8Confident83.3Confident67 Ų6743.1 Ų43.135%0.35122%0.216SC..Hα-helixtrans-64.5-39.1178.2-17660.9000112I258 I281 G282 F288 A289I258-L285 HydrophobicContact CD1-CB 4.19Å; I258-L285 HydrophobicContact CD1-CD2 4.28Å; I258-L285 HydrophobicContact CD1-CG 4.03Å; I258-L285 HydrophobicContact CG1-CD2 4.07Å; I258-L285 HydrophobicContact CG1-CG 4.36Å; I281-L285 WeakPolarHBondContact O-CB 3.44Å; I281-L285 PolarHBondContact O-N 3.37Å; G282-L285 PolarHBondContact O-N 3.44Å; L285-F288 PolarHBondContact O-N 3.31Å; L285-A289 PolarHBondContact O-N 3.04Å
286Q89.9Confident85.1Confident30 Ų3046 Ų4614%0.1423%0.23CC..Hα-helixtrans-63.5-49.8176.6-174.8178.3-13.200110.9S255 I258 G282 I283 A284 F288 A289 I290S255-Q286 PolarHBondContact OG-OE1 3.43Å; I258-Q286 VanDerWaalsContact CD1-CA 3.5Å; I258-Q286 HydrophobicContact CD1-CB 3.63Å; I258-Q286 HydrophobicContact CD1-CG 4.36Å; G282-Q286 WeakPolarHBondContact O-CB 3.22Å; G282-Q286 PolarHBondContact O-N 2.95Å; I283-Q286 PolarHBondContact O-N 2.99Å; A284-Q286 VanDerWaalsContact C-N 3.34Å; A284-Q286 PolarHBondContact O-N 2.75Å; Q286-F288 VanDerWaalsContact C-N 3.29Å; Q286-F288 PolarHBondContact O-N 3.14Å; Q286-A289 PolarHBondContact O-N 3.38Å; Q286-A289 VanDerWaalsContact O-N 3.14Å; Q286-I290 HydrophobicContact CG-CD1 4.02Å; Q286-I290 VanDerWaalsContact O-CG1 3.32Å; Q286-I290 WeakPolarHBondContact O-CG1 3.16Å; Q286-I290 PolarHBondContact O-N 3.49Å
287N91.1Very high86.9Confident1 Ų136.4 Ų36.41%0.00519%0.194CC..Hα-helixtrans-63.4-36.1178.7-79-58000112.5A90 A93 L94 R107 I283 A284 I290 C291A90-N287 HydrophobicContact CB-CB 4.47Å; A93-N287 HydrophobicContact CB-CB 4.49Å; L94-N287 HydrophobicContact CB-CB 4.44Å; L94-N287 HydrophobicContact CD1-CB 4.32Å; R107-N287 PolarHBondContact NH2-OD1 3.32Å; I283-N287 WeakPolarHBondContact CG2-ND2 3.16Å; I283-N287 WeakPolarHBondContact O-CB 3.27Å; I283-N287 PolarHBondContact O-N 3.41Å; I283-N287 PolarHBondContact O-ND2 2.77Å; A284-N287 PolarHBondContact O-N 3.01Å; N287-I290 PolarHBondContact O-N 3.49Å; N287-C291 PolarHBondContact O-N 2.92Å; N287-C291 VanDerWaalsContact O-N 3.15Å; N287-C291 PolarHBondContact O-SG 3.45Å
288F91.9Very high88Confident44 Ų4433.2 Ų33.219%0.19318%0.177CC..Hα-helixtrans-61.4-46.5171.7178.7-98.2000112.1A41 V44 A45 L94 A284 L285 Q286 I290 C291 I292A41-F288 HydrophobicContact CB-CD2 3.93Å; A41-F288 HydrophobicContact CB-CE2 4.18Å; A41-F288 WeakPolarHBondContact O-CE2 3.44Å; V44-F288 HydrophobicContact CB-CE2 4.02Å; V44-F288 HydrophobicContact CB-CZ 4.41Å; V44-F288 HydrophobicContact CG1-CE2 3.91Å; V44-F288 HydrophobicContact CG1-CZ 3.9Å; A45-F288 HydrophobicContact CB-CD2 3.89Å; A45-F288 HydrophobicContact CB-CE2 4.23Å; L94-F288 HydrophobicContact CD1-CB 4.4Å; L94-F288 HydrophobicContact CD2-CB 4.41Å; L94-F288 HydrophobicContact CD2-CD2 4.38Å; A284-F288 WeakPolarHBondContact O-CB 3.23Å; A284-F288 PolarHBondContact O-N 3.4Å; L285-F288 PolarHBondContact O-N 3.31Å; Q286-F288 VanDerWaalsContact C-N 3.29Å; Q286-F288 PolarHBondContact O-N 3.14Å; F288-I290 PolarHBondContact O-N 3.3Å; F288-C291 WeakPolarHBondContact O-CB 3.35Å; F288-C291 PolarHBondContact O-N 2.7Å; F288-I292 HydrophobicContact CD1-CD1 4.3Å; F288-I292 HydrophobicContact CE1-CD1 3.67Å; F288-I292 HydrophobicContact CZ-CD1 3.98Å; F288-I292 PolarHBondContact O-N 3.47Å
289A92.4Very high89Confident25 Ų2534.2 Ų34.221%0.20718%0.18CC..Hα-helixtrans-62.3-41.9177.400000112.2L285 Q286 C291 I292 E293L285-A289 PolarHBondContact O-N 3.04Å; Q286-A289 PolarHBondContact O-N 3.38Å; Q286-A289 VanDerWaalsContact O-N 3.14Å; A289-C291 VanDerWaalsContact C-N 3.29Å; A289-C291 PolarHBondContact O-N 2.9Å; A289-I292 PolarHBondContact O-N 3.4Å; A289-I292 VanDerWaalsContact O-N 3.15Å; A289-E293 PolarHBondContact O-N 3.37Å
290I92.9Very high89.9Confident0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-59.6-39176.8-68.6168.9000111.2A90 Q286 N287 F288 I292 E293 M294A90-I290 HydrophobicContact CB-CB 4Å; A90-I290 HydrophobicContact CB-CG2 3.64Å; Q286-I290 HydrophobicContact CG-CD1 4.02Å; Q286-I290 VanDerWaalsContact O-CG1 3.32Å; Q286-I290 WeakPolarHBondContact O-CG1 3.16Å; Q286-I290 PolarHBondContact O-N 3.49Å; N287-I290 PolarHBondContact O-N 3.49Å; F288-I290 PolarHBondContact O-N 3.3Å; I290-I292 VanDerWaalsContact C-N 3.31Å; I290-I292 PolarHBondContact O-N 2.86Å; I290-E293 PolarHBondContact O-N 3.13Å; I290-M294 HydrophobicContact CG2-CE 4.12Å; I290-M294 HydrophobicContact CG2-CG 4.1Å; I290-M294 WeakPolarHBondContact O-CB 3.38Å; I290-M294 VanDerWaalsContact O-CG 3.3Å; I290-M294 WeakPolarHBondContact O-CG 3.41Å; I290-M294 PolarHBondContact O-N 3.24Å
291C94Very high90.6Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-59.4-41.8177.1-67.30000112.3A45 V49 N287 F288 A289 F295A45-C291 HydrophobicContact CB-CB 3.88Å; V49-C291 HydrophobicContact CG2-CB 4.03Å; N287-C291 PolarHBondContact O-N 2.92Å; N287-C291 VanDerWaalsContact O-N 3.15Å; N287-C291 PolarHBondContact O-SG 3.45Å; F288-C291 WeakPolarHBondContact O-CB 3.35Å; F288-C291 PolarHBondContact O-N 2.7Å; A289-C291 VanDerWaalsContact C-N 3.29Å; A289-C291 PolarHBondContact O-N 2.9Å; C291-F295 PolarHBondContact O-N 2.92Å
292I92.9Very high91.1Very high52 Ų5230.5 Ų30.527%0.26716%0.163SC..Hα-helixtrans-68.1-44.2176.3-59.9175.3000110.2F48 F288 A289 I290 M294 F295 I296F48-I292 HydrophobicContact CD2-CG1 3.69Å; F48-I292 HydrophobicContact CE1-CG2 4.27Å; F48-I292 HydrophobicContact CE2-CD1 4.16Å; F48-I292 HydrophobicContact CE2-CG1 3.72Å; F48-I292 HydrophobicContact CG-CG1 4.12Å; F48-I292 HydrophobicContact CZ-CG1 4.17Å; F48-I292 HydrophobicContact CZ-CG2 4.36Å; F288-I292 HydrophobicContact CD1-CD1 4.3Å; F288-I292 HydrophobicContact CE1-CD1 3.67Å; F288-I292 HydrophobicContact CZ-CD1 3.98Å; F288-I292 PolarHBondContact O-N 3.47Å; A289-I292 PolarHBondContact O-N 3.4Å; A289-I292 VanDerWaalsContact O-N 3.15Å; I290-I292 VanDerWaalsContact C-N 3.31Å; I290-I292 PolarHBondContact O-N 2.86Å; I292-M294 VanDerWaalsContact C-N 3.32Å; I292-M294 PolarHBondContact O-N 2.79Å; I292-F295 WeakPolarHBondContact O-CB 3.43Å; I292-F295 PolarHBondContact O-N 3.14Å; I292-I296 HydrophobicContact CG2-CD1 4.42Å; I292-I296 PolarHBondContact O-N 3.22Å
293E93.1Very high91.4Very high16 Ų1637.3 Ų37.38%0.07519%0.191CC..Hα-helixtrans-61.4-40.5179.3-168.3-170.9130.400112V247 M250 Q254 A289 I290 F295 I296 A297V247-E293 VanDerWaalsContact C-OE1 3.3Å; V247-E293 WeakPolarHBondContact CA-OE1 3.35Å; M250-E293 WeakPolarHBondContact CB-OE2 3.28Å; Q254-E293 PolarHBondContact NE2-OE2 3.31Å; A289-E293 PolarHBondContact O-N 3.37Å; I290-E293 PolarHBondContact O-N 3.13Å; E293-F295 VanDerWaalsContact C-N 3.26Å; E293-F295 PolarHBondContact O-N 3.11Å; E293-I296 PolarHBondContact O-N 3.3Å; E293-I296 VanDerWaalsContact O-N 3.14Å; E293-A297 WeakPolarHBondContact O-CB 3.43Å; E293-A297 PolarHBondContact O-N 2.68Å
294M94Very high91.5Very high1 Ų136 Ų361%0.00519%0.188CC..Hα-helixtrans-63.7-32.7177.5-73.1-40.693.600112.3V83 Y86 A87 V247 I290 I292 A297 A298V83-M294 HydrophobicContact CG1-CB 4.21Å; V83-M294 VanDerWaalsContact CG1-O 3.26Å; V83-M294 WeakPolarHBondContact CG1-O 3.48Å; Y86-M294 WeakPolarHBondContact CB-SD 3.37Å; Y86-M294 HydrophobicContact CD1-CE 4.48Å; Y86-M294 HydrophobicContact CD1-SD 4.11Å; Y86-M294 HydrophobicContact CG-SD 4.12Å; A87-M294 HydrophobicContact CB-CB 3.89Å; A87-M294 HydrophobicContact CB-CG 4.06Å; V247-M294 HydrophobicContact CB-CE 4.5Å; V247-M294 HydrophobicContact CG1-CE 3.32Å; V247-M294 HydrophobicContact CG1-SD 4Å; I290-M294 HydrophobicContact CG2-CE 4.12Å; I290-M294 HydrophobicContact CG2-CG 4.1Å; I290-M294 WeakPolarHBondContact O-CB 3.38Å; I290-M294 VanDerWaalsContact O-CG 3.3Å; I290-M294 WeakPolarHBondContact O-CG 3.41Å; I290-M294 PolarHBondContact O-N 3.24Å; I292-M294 VanDerWaalsContact C-N 3.32Å; I292-M294 PolarHBondContact O-N 2.79Å; M294-A297 PolarHBondContact O-N 2.74Å; M294-A298 WeakPolarHBondContact O-CB 3.39Å; M294-A298 PolarHBondContact O-N 3.41Å
295F93.9Very high91.6Very high59 Ų5935.7 Ų35.726%0.25919%0.185SC..Hα-helixtrans-64.9-46.4172.4178.2-104.2000111.8F48 A52 I55 C291 I292 E293 A297 A298 I299F48-F295 HydrophobicContact CB-CB 4.31Å; F48-F295 HydrophobicContact CD1-CB 3.85Å; F48-F295 AromaticContact CD1-CD1 3.9Å; F48-F295 HydrophobicContact CD1-CD1 3.9Å; F48-F295 AromaticContact CD1-CG 3.87Å; F48-F295 HydrophobicContact CD1-CG 3.87Å; F48-F295 HydrophobicContact CE1-CD1 4.17Å; A52-F295 HydrophobicContact CB-CB 4.2Å; A52-F295 HydrophobicContact CB-CD2 4.42Å; I55-F295 HydrophobicContact CD1-CD2 4.35Å; I55-F295 HydrophobicContact CD1-CE2 3.77Å; I55-F295 HydrophobicContact CD1-CZ 4.46Å; C291-F295 PolarHBondContact O-N 2.92Å; I292-F295 WeakPolarHBondContact O-CB 3.43Å; I292-F295 PolarHBondContact O-N 3.14Å; E293-F295 VanDerWaalsContact C-N 3.26Å; E293-F295 PolarHBondContact O-N 3.11Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.86Å; F295-A298 WeakPolarHBondContact O-CB 3.32Å; F295-A298 PolarHBondContact O-N 3.35Å; F295-I299 HydrophobicContact CD1-CD1 4.27Å; F295-I299 HydrophobicContact CE1-CD1 3.74Å; F295-I299 HydrophobicContact CZ-CD1 3.9Å; F295-I299 PolarHBondContact O-N 2.95Å
296I93Very high91.6Very high103 Ų10335.2 Ų35.253%0.52819%0.185SC..Hα-helixtrans-62.7-42.5175.7-61.8170.6000110.3I292 E293 A298 I299 A300I292-I296 HydrophobicContact CG2-CD1 4.42Å; I292-I296 PolarHBondContact O-N 3.22Å; E293-I296 PolarHBondContact O-N 3.3Å; E293-I296 VanDerWaalsContact O-N 3.14Å; I296-A298 VanDerWaalsContact C-N 3.34Å; I296-A298 PolarHBondContact O-N 3.38Å; I296-I299 PolarHBondContact O-N 2.66Å; I296-A300 PolarHBondContact O-N 2.75Å
297A92.7Very high91.4Very high6 Ų637 Ų375%0.0519%0.19CC..Hα-helixtrans-63.5-37.2177.400000112.3V83 V247 E293 M294 F295 I299 A300 H301V83-A297 HydrophobicContact CG2-CB 3.92Å; V247-A297 HydrophobicContact CG2-CB 3.51Å; E293-A297 WeakPolarHBondContact O-CB 3.43Å; E293-A297 PolarHBondContact O-N 2.68Å; M294-A297 PolarHBondContact O-N 2.74Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.86Å; A297-I299 VanDerWaalsContact C-N 3.32Å; A297-I299 PolarHBondContact O-N 3.2Å; A297-A300 PolarHBondContact O-N 3.4Å; A297-H301 VanDerWaalsContact O-CB 3.3Å; A297-H301 WeakPolarHBondContact O-CB 3.33Å; A297-H301 PolarHBondContact O-N 3.39Å
298A93.4Very high91.1Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-58.8-45.7174.500000111.2A52 I55 V83 M294 F295 I296 H301 H302A52-A298 HydrophobicContact CB-CB 4.28Å; I55-A298 HydrophobicContact CB-CB 3.95Å; I55-A298 HydrophobicContact CG2-CB 3.84Å; V83-A298 HydrophobicContact CG1-CB 3.86Å; M294-A298 WeakPolarHBondContact O-CB 3.39Å; M294-A298 PolarHBondContact O-N 3.41Å; F295-A298 WeakPolarHBondContact O-CB 3.32Å; F295-A298 PolarHBondContact O-N 3.35Å; I296-A298 VanDerWaalsContact C-N 3.34Å; I296-A298 PolarHBondContact O-N 3.38Å; A298-H301 PolarHBondContact O-N 3.48Å; A298-H302 PolarHBondContact O-N 2.93Å
299I92.9Very high90.7Very high65 Ų6543.2 Ų43.233%0.33323%0.233SC..Hα-helixtrans-64.7-46.7177-62.2171.1000110.2I55 F295 I296 A297 H301 H302 F303I55-I299 HydrophobicContact CD1-CG1 4.06Å; F295-I299 HydrophobicContact CD1-CD1 4.27Å; F295-I299 HydrophobicContact CE1-CD1 3.74Å; F295-I299 HydrophobicContact CZ-CD1 3.9Å; F295-I299 PolarHBondContact O-N 2.95Å; I296-I299 PolarHBondContact O-N 2.66Å; A297-I299 VanDerWaalsContact C-N 3.32Å; A297-I299 PolarHBondContact O-N 3.2Å; I299-H301 VanDerWaalsContact C-N 3.34Å; I299-H301 PolarHBondContact O-N 3.2Å; I299-H302 WeakPolarHBondContact O-CB 3.43Å; I299-H302 PolarHBondContact O-N 2.95Å; I299-F303 HydrophobicContact CG2-CD2 4.11Å; I299-F303 HydrophobicContact CG2-CE2 3.7Å; I299-F303 WeakPolarHBondContact O-CD2 3.2Å; I299-F303 PolarHBondContact O-N 3.43Å
300A92Very high90.3Very high35 Ų3542.3 Ų42.329%0.28923%0.225SC..Hα-helixtrans-63.6-37.9179.300000112.7C243 I296 A297 F303 S304C243-A300 WeakPolarHBondContact SG-CB 3.29Å; I296-A300 PolarHBondContact O-N 2.75Å; A297-A300 PolarHBondContact O-N 3.4Å; A300-F303 PolarHBondContact O-N 2.82Å; A300-S304 VanDerWaalsContact O-CB 3.26Å; A300-S304 WeakPolarHBondContact O-CB 3.29Å; A300-S304 PolarHBondContact O-N 3.4Å; A300-S304 PolarHBondContact O-OG 3.43Å
301H91.2Very high89.8Confident0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-65.6-39173.8-80.3173.7000112.3L80 V83 C243 A297 A298 I299 F303 S304 F305L80-H301 HydrophobicContact CD2-CB 3.79Å; V83-H301 VanDerWaalsContact CG2-ND1 3.28Å; V83-H301 WeakPolarHBondContact CG2-ND1 3.36Å; C243-H301 PolarHBondContact SG-CD2 3.43Å; A297-H301 VanDerWaalsContact O-CB 3.3Å; A297-H301 WeakPolarHBondContact O-CB 3.33Å; A297-H301 PolarHBondContact O-N 3.39Å; A298-H301 PolarHBondContact O-N 3.48Å; I299-H301 VanDerWaalsContact C-N 3.34Å; I299-H301 PolarHBondContact O-N 3.2Å; H301-F303 PolarHBondContact O-N 3.45Å; H301-S304 PolarHBondContact O-N 2.88Å; H301-F305 HydrophobicContact CB-CD2 4.32Å; H301-F305 AromaticContact CD2-CD2 3.64Å; H301-F305 AromaticContact CD2-CE2 3.55Å; H301-F305 AromaticContact NE2-CE2 3.87Å; H301-F305 WeakPolarHBondContact O-CB 3.4Å; H301-F305 PolarHBondContact O-N 3.26Å
302H90.8Very high89.1Confident63 Ų6347.9 Ų47.929%0.29226%0.256SS..Hα-helixtrans-56.2-40.9176-178.177.6000112.3I55 T59 A298 I299I55-H302 HydrophobicContact CG2-CB 4.33Å; T59-H302 HydrophobicContact CG2-CB 3.66Å; T59-H302 WeakPolarHBondContact CG2-ND1 3.33Å; A298-H302 PolarHBondContact O-N 2.93Å; I299-H302 WeakPolarHBondContact O-CB 3.43Å; I299-H302 PolarHBondContact O-N 2.95Å
303F89.5Confident88.3Confident150 Ų15051 Ų5166%0.65828%0.28SS*.Hα-helixtrans-82.8-37.9177.8-64.2-64.9000113.7I299 A300 H301I299-F303 HydrophobicContact CG2-CD2 4.11Å; I299-F303 HydrophobicContact CG2-CE2 3.7Å; I299-F303 WeakPolarHBondContact O-CD2 3.2Å; I299-F303 PolarHBondContact O-N 3.43Å; A300-F303 PolarHBondContact O-N 2.82Å; H301-F303 PolarHBondContact O-N 3.45Å
304S87.1Confident87.7Confident32 Ų3257.9 Ų57.922%0.22432%0.317CS..Hα-helixtrans-77.9-32.9-174.5-58.30000113.3K240 A300 H301K240-S304 WeakPolarHBondContact CE-O 3.33Å; A300-S304 VanDerWaalsContact O-CB 3.26Å; A300-S304 WeakPolarHBondContact O-CB 3.29Å; A300-S304 PolarHBondContact O-N 3.4Å; A300-S304 PolarHBondContact O-OG 3.43Å; H301-S304 PolarHBondContact O-N 2.88Å
305F87.1Confident86.8Confident1 Ų160.1 Ų60.10%0.00433%0.332CS..THydrogen-bonded Turntrans-114.750.3-176.4-66.6-80.9000111.3H63 I76 I79 L80 K240 C243 V244 H301H63-F305 PolarHBondContact NE2-O 3.29Å; I76-F305 HydrophobicContact CG2-CB 4.15Å; I76-F305 HydrophobicContact CG2-CD1 3.92Å; I76-F305 HydrophobicContact CG2-CG 4.37Å; I79-F305 HydrophobicContact CG2-CZ 4.17Å; L80-F305 HydrophobicContact CD2-CB 3.94Å; L80-F305 HydrophobicContact CD2-CD2 4.22Å; L80-F305 HydrophobicContact CD2-CG 4.27Å; K240-F305 HydrophobicContact CB-CE1 3.71Å; K240-F305 HydrophobicContact CB-CE2 4.4Å; K240-F305 HydrophobicContact CB-CZ 3.6Å; K240-F305 HydrophobicContact CD-CD1 4.13Å; K240-F305 HydrophobicContact CD-CE1 3.88Å; K240-F305 HydrophobicContact CG-CD1 4.12Å; K240-F305 HydrophobicContact CG-CE1 3.72Å; K240-F305 HydrophobicContact CG-CZ 3.96Å; C243-F305 HydrophobicContact CB-CE2 4.45Å; V244-F305 HydrophobicContact CG2-CE2 4.07Å; V244-F305 HydrophobicContact CG2-CZ 3.79Å; H301-F305 HydrophobicContact CB-CD2 4.32Å; H301-F305 AromaticContact CD2-CD2 3.64Å; H301-F305 AromaticContact CD2-CE2 3.55Å; H301-F305 AromaticContact NE2-CE2 3.87Å; H301-F305 WeakPolarHBondContact O-CB 3.4Å; H301-F305 PolarHBondContact O-N 3.26Å
306T88Confident85.9Confident57 Ų5765.8 Ų65.835%0.3536%0.36SS..  trans-64.7148.7172.9-169.80000111.9T308 P309 Y310T306-T308 PolarHBondContact OG1-OG1 3.07Å; T306-P309 HydrophobicContact CG2-CG 4.42Å; T306-Y310 WeakPolarHBondContact O-CE2 3.43Å
307W84.6Confident84.8Confident66 Ų6665.4 Ų65.425%0.2536%0.364CS..SBendtrans-81.7-24.6-178.259.7-90000113.1E62 H63 N66 P309 Y310 V311E62-W307 HydrophobicContact CB-CG 4.05Å; E62-W307 VanDerWaalsContact OE2-CD1 3.27Å; E62-W307 PolarHBondContact OE2-NE1 2.84Å; H63-W307 VanDerWaalsContact CE1-CA 3.48Å; H63-W307 WeakPolarHBondContact CE1-CA 3.16Å; N66-W307 HydrophobicContact CB-CD2 4.3Å; N66-W307 HydrophobicContact CB-CE3 3.66Å; N66-W307 HydrophobicContact CB-CZ3 4.02Å; N66-W307 VanDerWaalsContact CG-CZ3 3.48Å; N66-W307 VanDerWaalsContact ND2-CD2 3.32Å; N66-W307 VanDerWaalsContact ND2-CZ3 3.35Å; N66-W307 WeakPolarHBondContact ND2-CZ3 3.21Å; W307-P309 VanDerWaalsContact C-CD 3.42Å; W307-Y310 PolarHBondContact O-N 3.05Å; W307-V311 HydrophobicContact CE3-CB 4.46Å; W307-V311 HydrophobicContact CE3-CG2 3.33Å; W307-V311 HydrophobicContact CZ3-CB 4.37Å; W307-V311 HydrophobicContact CZ3-CG2 3.59Å
308T85.7Confident83.9Confident87 Ų8766.7 Ų66.753%0.53437%0.371SS..G310 helixtrans-47.4-47.5-173.4-480000115.6T306 Y310 V311T306-T308 PolarHBondContact OG1-OG1 3.07Å; T308-Y310 PolarHBondContact O-N 3.39Å; T308-V311 PolarHBondContact O-N 3.3Å
309P84.1Confident83.3Confident89 Ų8970.7 Ų70.758%0.57840%0.4SS*.G310 helixtrans-72.7-8.4-175.530.4-37.1000113.9T306 W307T306-P309 HydrophobicContact CG2-CG 4.42Å; W307-P309 VanDerWaalsContact C-CD 3.42Å
310Y84.2Confident82.4Confident7 Ų769.9 Ų69.93%0.02740%0.399CS..G310 helixtrans-98.5-6.9-177.4-57.1-66.4000113.1T68 N69 L72 Q73 I76 F121 K240 T306 W307 T308T68-Y310 PolarHBondContact OG1-O 3.2Å; N69-Y310 PolarHBondContact ND2-O 3.44Å; L72-Y310 HydrophobicContact CB-CD1 4.33Å; L72-Y310 HydrophobicContact CB-CE1 4.42Å; L72-Y310 HydrophobicContact CD1-CD1 4Å; L72-Y310 HydrophobicContact CD1-CE1 4.03Å; Q73-Y310 HydrophobicContact CG-CG 4.26Å; I76-Y310 HydrophobicContact CD1-CD2 3.97Å; I76-Y310 HydrophobicContact CD1-CE1 4.06Å; I76-Y310 HydrophobicContact CD1-CE2 3.35Å; I76-Y310 VanDerWaalsContact CD1-CZ 3.42Å; F121-Y310 HydrophobicContact CE2-CE1 4.4Å; F121-Y310 WeakPolarHBondContact CZ-OH 3.4Å; K240-Y310 PolarHBondContact NZ-OH 3.46Å; T306-Y310 WeakPolarHBondContact O-CE2 3.43Å; W307-Y310 PolarHBondContact O-N 3.05Å; T308-Y310 PolarHBondContact O-N 3.39Å
311V82.4Confident81.9Confident42 Ų4273.2 Ų73.226%0.25542%0.419SS..  trans-88.4117.2-171.1-179.50000111.7N66 T68 W307 T308 P313N66-V311 HydrophobicContact CB-CG2 3.58Å; T68-V311 HydrophobicContact CG2-CG1 4.07Å; T68-V311 WeakPolarHBondContact OG1-CA 3.12Å; W307-V311 HydrophobicContact CE3-CB 4.46Å; W307-V311 HydrophobicContact CE3-CG2 3.33Å; W307-V311 HydrophobicContact CZ3-CB 4.37Å; W307-V311 HydrophobicContact CZ3-CG2 3.59Å; T308-V311 PolarHBondContact O-N 3.3Å; V311-P313 WeakPolarHBondContact O-CD 3.49Å
312D79.5Confident81.4Confident75 Ų7579.1 Ų79.140%0.40144%0.442SS..  trans-93.5112.3169.7-65.3-44.3000109.5N69 N314 S315N69-D312 PolarHBondContact ND2-OD2 3.39Å; N69-D312 PolarHBondContact OD1-OD2 2.89Å; D312-N314 PolarHBondContact O-N 3.41Å; D312-N314 VanDerWaalsContact O-N 3.15Å; D312-S315 PolarHBondContact O-N 2.8Å; D312-S315 VanDerWaalsContact O-N 3.15Å; D312-S315 PolarHBondContact O-OG 3.21Å
313P76Confident80.8Confident117 Ų11776.1 Ų76.176%0.7643%0.428SS*.THydrogen-bonded Turntrans-65.2-17.9-178.725-32.9000113.3V311V311-P313 WeakPolarHBondContact O-CD 3.49Å
314N79.2Confident80.5Confident161 Ų16175 Ų7586%0.86142%0.42SS*.THydrogen-bonded Turntrans-88-5.5179.4-60.6-31.6000113.6D312D312-N314 PolarHBondContact O-N 3.41Å; D312-N314 VanDerWaalsContact O-N 3.15Å
315S75.2Confident80.3Confident47 Ų4783 Ų8333%0.32945%0.445SS..SBendtrans-79.1143.6-175.7630000112.5T68 D312T68-S315 WeakPolarHBondContact CB-OG 3.42Å; T68-S315 WeakPolarHBondContact CG2-OG 3.41Å; D312-S315 PolarHBondContact O-N 2.8Å; D312-S315 VanDerWaalsContact O-N 3.15Å; D312-S315 PolarHBondContact O-OG 3.21Å
316E75.6Confident80Confident178 Ų17883.2 Ų83.283%0.83245%0.447SS*.PPolyproline II helixtrans-66.8141.6176.9-68.6-174.3179.400111.5T318E316-T318 PolarHBondContact O-N 3.47Å; E316-T318 VanDerWaalsContact O-N 3.13Å
317P70Confident79.5Confident95 Ų9581 Ų8162%0.61743%0.432SS*.PPolyproline II helixtrans-65.1117.2-179.323.7-31.1000111.7
318T74.4Confident79.4Confident33 Ų3385.6 Ų85.620%0.20245%0.449CS..PPolyproline II helixtrans-66140.9173.244.40000112.9R4 Y67 E316 Y322R4-T318 PolarHBondContact NH2-OG1 3.15Å; Y67-T318 HydrophobicContact CD1-CG2 4.42Å; Y67-T318 WeakPolarHBondContact O-CG2 3.02Å; Y67-T318 PolarHBondContact O-OG1 2.88Å; E316-T318 PolarHBondContact O-N 3.47Å; E316-T318 VanDerWaalsContact O-N 3.13Å; T318-Y322 HydrophobicContact CG2-CD1 4.4Å
319S79Confident79.4Confident85 Ų8584.3 Ų84.359%0.59444%0.439SS*.PPolyproline II helixtrans-69140.1173.6-69.10000111.7C321 Y322 S323S319-C321 VanDerWaalsContact C-N 3.32Å; S319-C321 PolarHBondContact O-N 3.45Å; S319-Y322 WeakPolarHBondContact O-CB 3.35Å; S319-Y322 PolarHBondContact O-N 3.45Å; S319-S323 PolarHBondContact O-N 2.83Å; S319-S323 VanDerWaalsContact O-N 3.09Å; S319-S323 PolarHBondContact O-OG 2.69Å
320C75.8Confident79.6Confident47 Ų4783 Ų8332%0.31843%0.43SS..Hα-helixtrans-51.5-48179.5-173.90000112.8W3 Y322 S323 W324W3-C320 HydrophobicContact CD2-CB 3.55Å; W3-C320 HydrophobicContact CE3-CB 3.84Å; W3-C320 VanDerWaalsContact CE3-SG 3.59Å; W3-C320 HydrophobicContact CG-CB 3.94Å; W3-C320 HydrophobicContact CH2-CB 4.27Å; W3-C320 HydrophobicContact CZ2-CB 4Å; W3-C320 HydrophobicContact CZ3-CB 4.19Å; C320-Y322 VanDerWaalsContact C-N 3.26Å; C320-Y322 PolarHBondContact O-N 3.34Å; C320-S323 PolarHBondContact O-N 2.89Å; C320-W324 PolarHBondContact O-N 3.37Å
321C79.8Confident79.7Confident105 Ų10585.5 Ų85.571%0.70945%0.448SS*.Hα-helixtrans-64.4-32.2-179.1-59.60000112.4S319 R325S319-C321 VanDerWaalsContact C-N 3.32Å; S319-C321 PolarHBondContact O-N 3.45Å; C321-R325 WeakPolarHBondContact O-CB 3.14Å; C321-R325 PolarHBondContact O-N 3.04Å
322Y80.8Confident79.9Confident124 Ų12484.2 Ų84.249%0.48644%0.44SS..Hα-helixtrans-70.1-48.4176.8177.9-93.7000110.6Y67 T318 S319 C320 W324 R325 S326Y67-Y322 HydrophobicContact CE1-CE1 4.34Å; T318-Y322 HydrophobicContact CG2-CD1 4.4Å; S319-Y322 WeakPolarHBondContact O-CB 3.35Å; S319-Y322 PolarHBondContact O-N 3.45Å; C320-Y322 VanDerWaalsContact C-N 3.26Å; C320-Y322 PolarHBondContact O-N 3.34Å; Y322-W324 VanDerWaalsContact C-N 3.31Å; Y322-W324 PolarHBondContact O-N 2.84Å; Y322-R325 PolarHBondContact O-N 3.28Å; Y322-S326 WeakPolarHBondContact O-CB 3.31Å; Y322-S326 PolarHBondContact O-N 2.89Å
323S79.9Confident80.3Confident0 Ų081.6 Ų81.60%043%0.426CS..Hα-helixtrans-57.4-47.2176.7-550000110.7S319 C320 S326 M327S319-S323 PolarHBondContact O-N 2.83Å; S319-S323 VanDerWaalsContact O-N 3.09Å; S319-S323 PolarHBondContact O-OG 2.69Å; C320-S323 PolarHBondContact O-N 2.89Å; S323-S326 WeakPolarHBondContact O-CB 3.46Å; S323-S326 PolarHBondContact O-N 3.37Å; S323-M327 WeakPolarHBondContact O-CG 3.49Å; S323-M327 PolarHBondContact O-N 3.23Å
324W82.1Confident81Confident128 Ų12885.3 Ų85.349%0.48542%0.424SS..Hα-helixtrans-61.5-47.8177-171.6-96.8000112.9M64 C320 Y322 S326 M327 W328M64-W324 HydrophobicContact SD-CE3 4.05Å; C320-W324 PolarHBondContact O-N 3.37Å; Y322-W324 VanDerWaalsContact C-N 3.31Å; Y322-W324 PolarHBondContact O-N 2.84Å; W324-S326 VanDerWaalsContact C-N 3.32Å; W324-S326 PolarHBondContact O-N 2.82Å; W324-M327 HydrophobicContact CE3-CE 4.28Å; W324-M327 HydrophobicContact CE3-SD 4.17Å; W324-M327 HydrophobicContact CZ3-CE 4.31Å; W324-M327 WeakPolarHBondContact O-CB 3.47Å; W324-M327 PolarHBondContact O-N 3Å; W324-W328 AromaticContact CE2-CD1 3.92Å; W324-W328 AromaticContact CE2-NE1 3.5Å; W324-W328 AromaticContact CZ2-NE1 3.45Å; W324-W328 AromaticContact NE1-CD1 3.77Å; W324-W328 AromaticContact NE1-NE1 3.72Å; W324-W328 PolarHBondContact O-N 2.85Å
325R84Confident81.5Confident200 Ų20084.4 Ų84.476%0.75541%0.409SS*.Hα-helixtrans-64.6-37.9179-171.7176.6-176.188.8-0.3112.1C321 Y322 M327 W328 D329C321-R325 WeakPolarHBondContact O-CB 3.14Å; C321-R325 PolarHBondContact O-N 3.04Å; Y322-R325 PolarHBondContact O-N 3.28Å; R325-M327 VanDerWaalsContact C-N 3.29Å; R325-M327 PolarHBondContact O-N 3.43Å; R325-W328 PolarHBondContact O-N 3.23Å; R325-D329 WeakPolarHBondContact O-CB 3.16Å; R325-D329 PolarHBondContact O-N 2.96Å
326S80.7Confident82.2Confident5 Ų582.9 Ų82.94%0.03540%0.397CS..Hα-helixtrans-62-35.8175.7-177.60000111.7Y67 R74 Y322 S323 W324Y67-S326 PolarHBondContact OH-OG 3.3Å; R74-S326 VanDerWaalsContact CZ-OG 3.25Å; R74-S326 PolarHBondContact NE-O 2.92Å; R74-S326 PolarHBondContact NE-OG 2.99Å; R74-S326 PolarHBondContact NH1-O 2.71Å; R74-S326 PolarHBondContact NH2-OG 2.94Å; Y322-S326 WeakPolarHBondContact O-CB 3.31Å; Y322-S326 PolarHBondContact O-N 2.89Å; S323-S326 WeakPolarHBondContact O-CB 3.46Å; S323-S326 PolarHBondContact O-N 3.37Å; W324-S326 VanDerWaalsContact C-N 3.32Å; W324-S326 PolarHBondContact O-N 2.82Å
327M77.6Confident82.8Confident9 Ų976.2 Ų76.24%0.04437%0.368CS..Hα-helixtrans-63.4-41.8177.8-67.7158.571.700112.5I60 M64 I77 S323 W324 R325I60-M327 HydrophobicContact CG2-CE 3.72Å; M64-M327 HydrophobicContact CG-SD 4.06Å; M64-M327 HydrophobicContact SD-CE 4.41Å; M64-M327 HydrophobicContact SD-SD 3.75Å; I77-M327 HydrophobicContact CD1-CG 3.97Å; I77-M327 HydrophobicContact CD1-SD 4.44Å; I77-M327 HydrophobicContact CG2-CE 3.64Å; I77-M327 HydrophobicContact CG2-CG 4.05Å; S323-M327 WeakPolarHBondContact O-CG 3.49Å; S323-M327 PolarHBondContact O-N 3.23Å; W324-M327 HydrophobicContact CE3-CE 4.28Å; W324-M327 HydrophobicContact CE3-SD 4.17Å; W324-M327 HydrophobicContact CZ3-CE 4.31Å; W324-M327 WeakPolarHBondContact O-CB 3.47Å; W324-M327 PolarHBondContact O-N 3Å; R325-M327 VanDerWaalsContact C-N 3.29Å; R325-M327 PolarHBondContact O-N 3.43Å
328W82Confident83.7Confident163 Ų16374.4 Ų74.462%0.61736%0.355SS*.Hα-helixtrans-88.8-4.9-176.1-72.991.6000114.5W324 R325 V330W324-W328 AromaticContact CE2-CD1 3.92Å; W324-W328 AromaticContact CE2-NE1 3.5Å; W324-W328 AromaticContact CZ2-NE1 3.45Å; W324-W328 AromaticContact NE1-CD1 3.77Å; W324-W328 AromaticContact NE1-NE1 3.72Å; W324-W328 PolarHBondContact O-N 2.85Å; R325-W328 PolarHBondContact O-N 3.23Å; W328-V330 PolarHBondContact O-N 3.29Å
329D85.5Confident84.4Confident60 Ų6076.2 Ų76.232%0.32136%0.362SS..  trans-79.3102.5-178.5167.328.2000110.5R74 R78 R325 S331R74-D329 IonicContact CZ-OD2 2.83Å; R74-D329 VanDerWaalsContact NH1-CB 3.3Å; R74-D329 PolarHBondContact NH1-O 3.25Å; R74-D329 VanDerWaalsContact NH1-O 3.07Å; R74-D329 IonicContact NH1-OD2 3.85Å; R74-D329 PolarHBondContact NH1-OD2 2.89Å; R74-D329 IonicContact NH2-OD2 3.64Å; R78-D329 PolarHBondContact NH2-O 3.47Å; R325-D329 WeakPolarHBondContact O-CB 3.16Å; R325-D329 PolarHBondContact O-N 2.96Å; D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 VanDerWaalsContact CG-OG 3.27Å; D329-S331 WeakPolarHBondContact OD1-CB 3.21Å; D329-S331 PolarHBondContact OD1-N 3.35Å; D329-S331 PolarHBondContact OD1-OG 3.42Å; D329-S331 PolarHBondContact OD2-OG 3.13Å
330V86.9Confident84.7Confident63 Ų6372.7 Ų72.738%0.38234%0.336SS..  trans-90.916.6-180-170.60000112.3Y113 W328 D332 M333 R334Y113-V330 HydrophobicContact CE2-CG1 4.13Å; W328-V330 PolarHBondContact O-N 3.29Å; V330-D332 VanDerWaalsContact C-N 3.26Å; V330-D332 PolarHBondContact O-N 3.1Å; V330-M333 HydrophobicContact CG1-CB 3.81Å; V330-M333 HydrophobicContact CG1-CG 4.39Å; V330-M333 HydrophobicContact CG1-SD 4.21Å; V330-M333 PolarHBondContact O-N 3.07Å; V330-R334 PolarHBondContact O-N 3.43Å; V330-R334 VanDerWaalsContact O-N 3.09Å
331S87.6Confident85.3Confident58 Ų5874.4 Ų74.441%0.40635%0.345SS..Hα-helixtrans-61.4-31.5-176.659.20000114.1D329 R334 R335D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 VanDerWaalsContact CG-OG 3.27Å; D329-S331 WeakPolarHBondContact OD1-CB 3.21Å; D329-S331 PolarHBondContact OD1-N 3.35Å; D329-S331 PolarHBondContact OD1-OG 3.42Å; D329-S331 PolarHBondContact OD2-OG 3.13Å; S331-R334 PolarHBondContact O-N 2.93Å; S331-R335 WeakPolarHBondContact O-CB 3.47Å; S331-R335 PolarHBondContact O-N 3.45Å
332D87.3Confident85.7Confident15 Ų1577.1 Ų77.18%0.0834%0.34CS..Hα-helixtrans-63.1-51.1176.260.8-44.6000111.8H75 R78 Y116 V330 R334 R335 D336H75-D332 IonicContact CE1-OD2 3.23Å; H75-D332 PolarHBondContact CE1-OD2 3.04Å; H75-D332 IonicContact ND1-OD2 2.72Å; R78-D332 IonicContact CZ-OD1 3.59Å; R78-D332 IonicContact CZ-OD2 2.74Å; R78-D332 IonicContact NH1-OD1 3.44Å; R78-D332 PolarHBondContact NH1-OD1 3.32Å; R78-D332 IonicContact NH1-OD2 3.58Å; R78-D332 PolarHBondContact NH1-OD2 3.48Å; R78-D332 IonicContact NH2-OD1 2.71Å; R78-D332 PolarHBondContact NH2-OD1 2.84Å; R78-D332 IonicContact NH2-OD2 3.12Å; R78-D332 PolarHBondContact NH2-OD2 3.29Å; Y116-D332 PolarHBondContact OH-O 2.87Å; V330-D332 VanDerWaalsContact C-N 3.26Å; V330-D332 PolarHBondContact O-N 3.1Å; D332-R334 VanDerWaalsContact C-N 3.32Å; D332-R334 PolarHBondContact O-N 3.29Å; D332-R335 PolarHBondContact O-N 3.43Å; D332-D336 WeakPolarHBondContact O-CB 3.4Å; D332-D336 PolarHBondContact O-N 3.4Å
333M87.8Confident85.8Confident21 Ų2175.7 Ų75.710%0.10334%0.337CS..Hα-helixtrans-60.8-45175.4172.3176.9-86.100110.5Y113 Y116 T173 V330 R335 D336 V337Y113-M333 HydrophobicContact CD2-CE 3.15Å; Y113-M333 HydrophobicContact CD2-SD 3.52Å; Y113-M333 VanDerWaalsContact CD2-SD 3.52Å; Y113-M333 HydrophobicContact CE2-CE 3.55Å; Y113-M333 HydrophobicContact CE2-SD 3.63Å; Y113-M333 HydrophobicContact CG-CE 4.16Å; Y116-M333 HydrophobicContact CD1-CB 4.21Å; Y116-M333 HydrophobicContact CD1-CE 3.18Å; Y116-M333 HydrophobicContact CD1-CG 4.36Å; Y116-M333 HydrophobicContact CD2-CE 4.31Å; Y116-M333 HydrophobicContact CE1-CB 3.62Å; Y116-M333 HydrophobicContact CE1-CE 3.9Å; Y116-M333 HydrophobicContact CE1-CG 4.18Å; Y116-M333 HydrophobicContact CG-CE 3.42Å; Y116-M333 VanDerWaalsContact CG-CE 3.42Å; Y116-M333 WeakPolarHBondContact OH-CA 3.47Å; Y116-M333 PolarHBondContact OH-N 3.45Å; T173-M333 HydrophobicContact CG2-CE 3.35Å; T173-M333 HydrophobicContact CG2-SD 3.98Å; V330-M333 HydrophobicContact CG1-CB 3.81Å; V330-M333 HydrophobicContact CG1-CG 4.39Å; V330-M333 HydrophobicContact CG1-SD 4.21Å; V330-M333 PolarHBondContact O-N 3.07Å; M333-R335 VanDerWaalsContact C-N 3.31Å; M333-R335 PolarHBondContact O-N 2.96Å; M333-D336 PolarHBondContact O-N 3.33Å; M333-V337 HydrophobicContact CG-CG2 4.05Å; M333-V337 WeakPolarHBondContact O-CB 3.4Å; M333-V337 VanDerWaalsContact O-CG2 3.27Å; M333-V337 WeakPolarHBondContact O-CG2 3.26Å; M333-V337 PolarHBondContact O-N 3.42Å
334R89.4Confident85.9Confident195 Ų19579.4 Ų79.474%0.73636%0.356SS*.Hα-helixtrans-58.7-44.7179.5-178.6-177.2172.6-165.1-1.3111.5V330 S331 D332 D336 V337 V338V330-R334 PolarHBondContact O-N 3.43Å; V330-R334 VanDerWaalsContact O-N 3.09Å; S331-R334 PolarHBondContact O-N 2.93Å; D332-R334 VanDerWaalsContact C-N 3.32Å; D332-R334 PolarHBondContact O-N 3.29Å; R334-D336 VanDerWaalsContact C-N 3.35Å; R334-V337 PolarHBondContact O-N 2.91Å; R334-V338 WeakPolarHBondContact O-CB 3.44Å; R334-V338 VanDerWaalsContact O-CG2 3.24Å; R334-V338 WeakPolarHBondContact O-CG2 3.32Å; R334-V338 PolarHBondContact O-N 3.06Å
335R90.2Very high85.9Confident142 Ų14274.7 Ų74.754%0.53635%0.348SS..Hα-helixtrans-60.8-46.5177.1178.6179.560.3-135.3-5.9110.8S331 D332 M333 V338 E339S331-R335 WeakPolarHBondContact O-CB 3.47Å; S331-R335 PolarHBondContact O-N 3.45Å; D332-R335 PolarHBondContact O-N 3.43Å; M333-R335 VanDerWaalsContact C-N 3.31Å; M333-R335 PolarHBondContact O-N 2.96Å; R335-V338 PolarHBondContact O-N 3Å; R335-E339 WeakPolarHBondContact O-CG 3.34Å; R335-E339 PolarHBondContact O-N 3.07Å
336D89.2Confident85.9Confident14 Ų1470.9 Ų70.98%0.07534%0.338CS..Hα-helixtrans-63.9-43.8-179.5-74.413.1000111.9Y116 R166 L170 D332 M333 R334 V338 E339 H340Y116-D336 HydrophobicContact CE2-CB 3.96Å; Y116-D336 WeakPolarHBondContact CE2-OD2 3.47Å; Y116-D336 VanDerWaalsContact OH-CG 3.24Å; Y116-D336 PolarHBondContact OH-OD2 3.02Å; R166-D336 IonicContact CZ-OD1 3.46Å; R166-D336 IonicContact CZ-OD2 2.7Å; R166-D336 IonicContact NE-OD2 3.05Å; R166-D336 PolarHBondContact NE-OD2 3.3Å; R166-D336 IonicContact NH2-OD1 2.77Å; R166-D336 PolarHBondContact NH2-OD1 2.96Å; R166-D336 IonicContact NH2-OD2 3.9Å; R166-D336 PolarHBondContact NH2-OD2 3.03Å; L170-D336 HydrophobicContact CD2-CB 4.08Å; L170-D336 VanDerWaalsContact CD2-O 3.27Å; L170-D336 WeakPolarHBondContact CD2-O 3.42Å; D332-D336 WeakPolarHBondContact O-CB 3.4Å; D332-D336 PolarHBondContact O-N 3.4Å; M333-D336 PolarHBondContact O-N 3.33Å; R334-D336 VanDerWaalsContact C-N 3.35Å; D336-V338 VanDerWaalsContact C-N 3.34Å; D336-V338 PolarHBondContact O-N 3.04Å; D336-E339 PolarHBondContact O-N 2.81Å; D336-H340 WeakPolarHBondContact O-CB 3.24Å; D336-H340 PolarHBondContact O-N 2.76Å
337V88.9Confident85.8Confident39 Ų3973.6 Ų73.624%0.23636%0.357CS..Hα-helixtrans-58.9-45.7174170.80000110.6L170 V174 M333 R334 E339 H340 V341L170-V337 HydrophobicContact CD1-CG2 3.76Å; V174-V337 HydrophobicContact CG2-CB 4.45Å; V174-V337 HydrophobicContact CG2-CG1 3.85Å; V174-V337 HydrophobicContact CG2-CG2 3.98Å; M333-V337 HydrophobicContact CG-CG2 4.05Å; M333-V337 WeakPolarHBondContact O-CB 3.4Å; M333-V337 VanDerWaalsContact O-CG2 3.27Å; M333-V337 WeakPolarHBondContact O-CG2 3.26Å; M333-V337 PolarHBondContact O-N 3.42Å; R334-V337 PolarHBondContact O-N 2.91Å; V337-E339 PolarHBondContact O-N 2.9Å; V337-H340 PolarHBondContact O-N 2.94Å; V337-V341 HydrophobicContact CG1-CG2 4.36Å; V337-V341 VanDerWaalsContact O-CG2 3.3Å; V337-V341 WeakPolarHBondContact O-CG2 3.28Å; V337-V341 PolarHBondContact O-N 3.48Å
338V89.7Confident85.8Confident56 Ų5677 Ų7734%0.33938%0.378SS..Hα-helixtrans-62.9-42.4177.8169.90000111.4R334 R335 D336 R342R334-V338 WeakPolarHBondContact O-CB 3.44Å; R334-V338 VanDerWaalsContact O-CG2 3.24Å; R334-V338 WeakPolarHBondContact O-CG2 3.32Å; R334-V338 PolarHBondContact O-N 3.06Å; R335-V338 PolarHBondContact O-N 3Å; D336-V338 VanDerWaalsContact C-N 3.34Å; D336-V338 PolarHBondContact O-N 3.04Å; V338-R342 WeakPolarHBondContact O-CB 3.25Å; V338-R342 VanDerWaalsContact O-CG 3.25Å; V338-R342 WeakPolarHBondContact O-CG 3.23Å; V338-R342 PolarHBondContact O-N 3.44Å
339E87.5Confident85.6Confident72 Ų7277.9 Ų77.934%0.33638%0.382SS..Hα-helixtrans-61.5-42.8174.9-76.1173.7-165.800111.9R166 R335 D336 V337 R342 H343R166-E339 IonicContact CZ-OE2 3.49Å; R166-E339 IonicContact NH1-OE2 2.69Å; R166-E339 PolarHBondContact NH1-OE2 3.33Å; R166-E339 IonicContact NH2-OE2 2.73Å; R166-E339 PolarHBondContact NH2-OE2 2.69Å; R335-E339 WeakPolarHBondContact O-CG 3.34Å; R335-E339 PolarHBondContact O-N 3.07Å; D336-E339 PolarHBondContact O-N 2.81Å; V337-E339 PolarHBondContact O-N 2.9Å; E339-R342 PolarHBondContact O-N 2.94Å; E339-H343 WeakPolarHBondContact O-CB 3.37Å; E339-H343 PolarHBondContact O-N 2.98Å
340H86.8Confident85Confident11 Ų1181.2 Ų81.25%0.05140%0.395CS..Hα-helixtrans-65.8-44.9178178.270.5000113H167 L170 D336 V337 R342 H343 I344H167-H340 AromaticContact CE1-ND1 3.97Å; H167-H340 AromaticContact CG-ND1 3.5Å; H167-H340 AromaticContact ND1-CG 3.63Å; H167-H340 AromaticContact ND1-ND1 2.97Å; H167-H340 PolarHBondContact ND1-ND1 2.94Å; H167-H340 PolarHBondContact O-CE1 3.35Å; H167-H340 VanDerWaalsContact O-CE1 3.25Å; L170-H340 HydrophobicContact CD2-CB 3.4Å; L170-H340 VanDerWaalsContact CD2-CB 3.4Å; L170-H340 HydrophobicContact CG-CB 4.24Å; D336-H340 WeakPolarHBondContact O-CB 3.24Å; D336-H340 PolarHBondContact O-N 2.76Å; V337-H340 PolarHBondContact O-N 2.94Å; H340-R342 VanDerWaalsContact C-N 3.29Å; H340-R342 PolarHBondContact O-N 3.24Å; H340-H343 PolarHBondContact O-N 3.24Å; H340-I344 VanDerWaalsContact CE1-CD1 3.49Å; H340-I344 WeakPolarHBondContact CE1-CD1 3.1Å; H340-I344 VanDerWaalsContact NE2-CD1 3.27Å; H340-I344 WeakPolarHBondContact NE2-CD1 3.47Å; H340-I344 WeakPolarHBondContact O-CG1 3.41Å; H340-I344 PolarHBondContact O-N 3.31Å
341V87.5Confident84.1Confident83 Ų8385.2 Ų85.250%0.50341%0.407SS..Hα-helixtrans-61.7-40.4175.4172.20000110.5V337 G345V337-V341 HydrophobicContact CG1-CG2 4.36Å; V337-V341 VanDerWaalsContact O-CG2 3.3Å; V337-V341 WeakPolarHBondContact O-CG2 3.28Å; V337-V341 PolarHBondContact O-N 3.48Å; V341-G345 PolarHBondContact O-N 3.31Å
342R87.7Confident83.2Confident162 Ų16287 Ų8761%0.61141%0.412SS*.Hα-helixtrans-62.4-48173.5-75.2172.9-179.7173.30.3111.6V338 E339 H340 I344 G345 H346V338-R342 WeakPolarHBondContact O-CB 3.25Å; V338-R342 VanDerWaalsContact O-CG 3.25Å; V338-R342 WeakPolarHBondContact O-CG 3.23Å; V338-R342 PolarHBondContact O-N 3.44Å; E339-R342 PolarHBondContact O-N 2.94Å; H340-R342 VanDerWaalsContact C-N 3.29Å; H340-R342 PolarHBondContact O-N 3.24Å; R342-I344 PolarHBondContact O-N 2.76Å; R342-G345 PolarHBondContact O-N 3.02Å; R342-H346 PolarHBondContact O-CD2 3.15Å; R342-H346 PolarHBondContact O-N 3.48Å
343H83.7Confident82.4Confident94 Ų9491.9 Ų91.944%0.43543%0.433SS..Hα-helixtrans-57.8-49.6179.3-177.9-80.7000111.4H167 E339 H340 G345 H346 S347H167-H343 AromaticContact NE2-CG 3.93Å; E339-H343 WeakPolarHBondContact O-CB 3.37Å; E339-H343 PolarHBondContact O-N 2.98Å; H340-H343 PolarHBondContact O-N 3.24Å; H343-G345 VanDerWaalsContact C-N 3.33Å; H343-G345 PolarHBondContact O-N 3.24Å; H343-H346 PolarHBondContact O-N 2.94Å; H343-S347 PolarHBondContact O-N 3.05Å; H343-S347 PolarHBondContact O-OG 3.44Å; H343-S347 VanDerWaalsContact O-OG 3.14Å
344I81.7Confident81.6Confident77 Ų7793 Ų9340%0.39544%0.443SS..Hα-helixtrans-59.6-45.1175.5-67.5170.1000110.6H340 R342 H346 S347 V348H340-I344 VanDerWaalsContact CE1-CD1 3.49Å; H340-I344 WeakPolarHBondContact CE1-CD1 3.1Å; H340-I344 VanDerWaalsContact NE2-CD1 3.27Å; H340-I344 WeakPolarHBondContact NE2-CD1 3.47Å; H340-I344 WeakPolarHBondContact O-CG1 3.41Å; H340-I344 PolarHBondContact O-N 3.31Å; R342-I344 PolarHBondContact O-N 2.76Å; I344-H346 VanDerWaalsContact C-N 3.31Å; I344-H346 PolarHBondContact O-N 3.4Å; I344-S347 PolarHBondContact O-N 3.4Å; I344-V348 HydrophobicContact CG2-CG2 4.22Å; I344-V348 WeakPolarHBondContact O-CG2 3.22Å; I344-V348 PolarHBondContact O-N 2.85Å
345G81.5Confident80.6Confident30 Ų3085.9 Ų85.931%0.30942%0.423SS..Hα-helixtrans-58.6-40.1177.300000113.2V341 R342 H343 R349V341-G345 PolarHBondContact O-N 3.31Å; R342-G345 PolarHBondContact O-N 3.02Å; H343-G345 VanDerWaalsContact C-N 3.33Å; H343-G345 PolarHBondContact O-N 3.24Å; G345-R349 WeakPolarHBondContact O-CB 3.35Å; G345-R349 VanDerWaalsContact O-CG 3.29Å; G345-R349 WeakPolarHBondContact O-CG 3.37Å; G345-R349 PolarHBondContact O-N 2.9Å
346H84.3Confident79.5Confident120 Ų12083.5 Ų83.556%0.55642%0.421SS*.Hα-helixtrans-68.2-43.3174.4-79.5-74.9000112.2R342 H343 I344 V348 R349 H350R342-H346 PolarHBondContact O-CD2 3.15Å; R342-H346 PolarHBondContact O-N 3.48Å; H343-H346 PolarHBondContact O-N 2.94Å; I344-H346 VanDerWaalsContact C-N 3.31Å; I344-H346 PolarHBondContact O-N 3.4Å; H346-V348 PolarHBondContact O-N 3.38Å; H346-R349 PolarHBondContact O-N 3.24Å; H346-H350 WeakPolarHBondContact O-CB 3.29Å; H346-H350 PolarHBondContact O-N 2.92Å
347S79.7Confident78.5Confident62 Ų6289.2 Ų89.243%0.43444%0.441SS..Hα-helixtrans-60.5-44.4176.7-59.20000112.2H343 I344 H350 F351H343-S347 PolarHBondContact O-N 3.05Å; H343-S347 PolarHBondContact O-OG 3.44Å; H343-S347 VanDerWaalsContact O-OG 3.14Å; I344-S347 PolarHBondContact O-N 3.4Å; S347-H350 PolarHBondContact O-N 3.49Å; S347-F351 PolarHBondContact O-N 2.84Å
348V77.7Confident77.4Confident79 Ų7993.5 Ų93.548%0.47946%0.459SS..Hα-helixtrans-66-42.1178174.10000111.3I344 H346 H350 F351 N352I344-V348 HydrophobicContact CG2-CG2 4.22Å; I344-V348 WeakPolarHBondContact O-CG2 3.22Å; I344-V348 PolarHBondContact O-N 2.85Å; H346-V348 PolarHBondContact O-N 3.38Å; V348-H350 VanDerWaalsContact C-N 3.34Å; V348-H350 PolarHBondContact O-N 3.07Å; V348-F351 PolarHBondContact O-N 3.2Å; V348-N352 PolarHBondContact O-N 2.91Å
349R76.1Confident76.2Confident183 Ų18395.4 Ų95.469%0.69147%0.467SS*.Hα-helixtrans-62.2-41.1174.9-77.6177.8-175.7-179.21.7112.4G345 H346 F351 N352 F353G345-R349 WeakPolarHBondContact O-CB 3.35Å; G345-R349 VanDerWaalsContact O-CG 3.29Å; G345-R349 WeakPolarHBondContact O-CG 3.37Å; G345-R349 PolarHBondContact O-N 2.9Å; H346-R349 PolarHBondContact O-N 3.24Å; R349-F351 VanDerWaalsContact C-N 3.32Å; R349-N352 PolarHBondContact O-N 3.31Å; R349-F353 WeakPolarHBondContact O-CB 3.38Å; R349-F353 PolarHBondContact O-N 3.42Å
350H72.9Confident75.2Confident129 Ų12994.8 Ų94.860%0.59747%0.471SS*.Hα-helixtrans-65.1-39.1177-124.2-88.6000111.5H346 S347 V348 S354H346-H350 WeakPolarHBondContact O-CB 3.29Å; H346-H350 PolarHBondContact O-N 2.92Å; S347-H350 PolarHBondContact O-N 3.49Å; V348-H350 VanDerWaalsContact C-N 3.34Å; V348-H350 PolarHBondContact O-N 3.07Å; H350-S354 VanDerWaalsContact O-CB 3.3Å; H350-S354 WeakPolarHBondContact O-CB 3.43Å; H350-S354 PolarHBondContact O-N 2.87Å; H350-S354 PolarHBondContact O-OG 3.31Å
351F68.2Low74Confident148 Ų148102.8 Ų102.865%0.64950%0.5SS*.Hα-helixtrans-62-50.3174.9-159.5-93.2000111.2S347 V348 R349 F353 S354 S355S347-F351 PolarHBondContact O-N 2.84Å; V348-F351 PolarHBondContact O-N 3.2Å; R349-F351 VanDerWaalsContact C-N 3.32Å; F351-F353 PolarHBondContact O-N 2.89Å; F351-S354 WeakPolarHBondContact O-CB 3.42Å; F351-S354 PolarHBondContact O-N 3.09Å; F351-S354 VanDerWaalsContact O-N 3.15Å; F351-S355 PolarHBondContact O-N 3.14Å; F351-S355 PolarHBondContact O-OG 3.16Å
352N69.3Low72.3Confident94 Ų94103 Ų10350%0.50350%0.504SS..Hα-helixtrans-60-44.4176.6-72.7-4.6000112.5V348 R349 S354 S355 D356V348-N352 PolarHBondContact O-N 2.91Å; R349-N352 PolarHBondContact O-N 3.31Å; N352-S354 VanDerWaalsContact C-N 3.27Å; N352-S354 PolarHBondContact O-N 3.49Å; N352-S355 PolarHBondContact O-N 2.86Å; N352-D356 WeakPolarHBondContact O-CB 3.23Å; N352-D356 PolarHBondContact O-N 3.36Å
353F70.6Confident70.7Confident119 Ų119104.2 Ų104.252%0.52251%0.509SS..Hα-helixtrans-68.1-28.3178.9-162.7-105.6000112.5R349 F351 R357R349-F353 WeakPolarHBondContact O-CB 3.38Å; R349-F353 PolarHBondContact O-N 3.42Å; F351-F353 PolarHBondContact O-N 2.89Å; F353-R357 HydrophobicContact CD1-CG 4.35Å; F353-R357 HydrophobicContact CE1-CG 4.12Å; F353-R357 WeakPolarHBondContact O-CB 3.33Å; F353-R357 WeakPolarHBondContact O-CG 3.49Å; F353-R357 PolarHBondContact O-N 3.37Å
354S70.5Confident69Low43 Ų43108.5 Ų108.530%0.30152%0.521SS..Hα-helixtrans-72.9-43.1173.6-560000110.7H350 F351 N352 R357 Q358H350-S354 VanDerWaalsContact O-CB 3.3Å; H350-S354 WeakPolarHBondContact O-CB 3.43Å; H350-S354 PolarHBondContact O-N 2.87Å; H350-S354 PolarHBondContact O-OG 3.31Å; F351-S354 WeakPolarHBondContact O-CB 3.42Å; F351-S354 PolarHBondContact O-N 3.09Å; F351-S354 VanDerWaalsContact O-N 3.15Å; N352-S354 VanDerWaalsContact C-N 3.27Å; N352-S354 PolarHBondContact O-N 3.49Å; S354-R357 PolarHBondContact O-N 3.39Å; S354-Q358 WeakPolarHBondContact O-CB 3.23Å; S354-Q358 VanDerWaalsContact O-CG 3.29Å; S354-Q358 WeakPolarHBondContact O-CG 3.02Å; S354-Q358 PolarHBondContact O-N 3.37Å
355S68.1Low67.6Low47 Ų47109 Ų10933%0.32952%0.524SS..Hα-helixtrans-61.6-42.5171.8-59.90000112.2F351 N352 Q358 L359F351-S355 PolarHBondContact O-N 3.14Å; F351-S355 PolarHBondContact O-OG 3.16Å; N352-S355 PolarHBondContact O-N 2.86Å; S355-Q358 PolarHBondContact O-N 3.49Å; S355-L359 WeakPolarHBondContact O-CB 3.21Å; S355-L359 PolarHBondContact O-N 3.21Å
356D68.4Low65.9Low92 Ų92111.8 Ų111.849%0.49254%0.539SS..Hα-helixtrans-66.4-40.4176.6-79-22000112.1N352 L359 S360N352-D356 WeakPolarHBondContact O-CB 3.23Å; N352-D356 PolarHBondContact O-N 3.36Å; D356-L359 PolarHBondContact O-N 2.99Å; D356-S360 WeakPolarHBondContact O-CB 3.39Å; D356-S360 PolarHBondContact O-N 3.25Å; D356-S360 PolarHBondContact O-OG 2.89Å
357R68.1Low63.7Low133 Ų133109.2 Ų109.250%0.50255%0.545SS..Hα-helixtrans-65.9-40.7173.7-81.5-169.6-72-156.40.2111.9F353 S354 S360 R361F353-R357 HydrophobicContact CD1-CG 4.35Å; F353-R357 HydrophobicContact CE1-CG 4.12Å; F353-R357 WeakPolarHBondContact O-CB 3.33Å; F353-R357 WeakPolarHBondContact O-CG 3.49Å; F353-R357 PolarHBondContact O-N 3.37Å; S354-R357 PolarHBondContact O-N 3.39Å; R357-S360 PolarHBondContact O-N 2.88Å; R357-R361 VanDerWaalsContact O-CB 3.29Å; R357-R361 WeakPolarHBondContact O-CB 3.45Å; R357-R361 PolarHBondContact O-N 3.28Å
358Q65.9Low61.6Low129 Ų129111.6 Ų111.660%0.60356%0.557SS**Hα-helixtrans-61.9-47.1174-76.4175.4-2100111S354 S355 S360 R361 C362S354-Q358 WeakPolarHBondContact O-CB 3.23Å; S354-Q358 VanDerWaalsContact O-CG 3.29Å; S354-Q358 WeakPolarHBondContact O-CG 3.02Å; S354-Q358 PolarHBondContact O-N 3.37Å; S355-Q358 PolarHBondContact O-N 3.49Å; Q358-S360 PolarHBondContact O-N 3.02Å; Q358-R361 PolarHBondContact O-N 3.48Å; Q358-C362 PolarHBondContact O-N 3.17Å
359L65Low59.2Low97 Ų97115.4 Ų115.451%0.50856%0.564SS.*Hα-helixtrans-63.1-41.8177.1-170.969.1000112S355 D356 R361 C362 R363S355-L359 WeakPolarHBondContact O-CB 3.21Å; S355-L359 PolarHBondContact O-N 3.21Å; D356-L359 PolarHBondContact O-N 2.99Å; L359-R361 VanDerWaalsContact C-N 3.34Å; L359-C362 PolarHBondContact O-N 3.49Å; L359-R363 PolarHBondContact O-N 3.48Å
360S65Low56.9Low59 Ų59115.7 Ų115.741%0.41357%0.573SS.*Hα-helixtrans-67.7-33.3176.4-58.80000112.4D356 R357 Q358 R364D356-S360 WeakPolarHBondContact O-CB 3.39Å; D356-S360 PolarHBondContact O-N 3.25Å; D356-S360 PolarHBondContact O-OG 2.89Å; R357-S360 PolarHBondContact O-N 2.88Å; Q358-S360 PolarHBondContact O-N 3.02Å; S360-R364 PolarHBondContact O-N 3.1Å
361R61.5Low54.7Low178 Ų178117.4 Ų117.467%0.67258%0.581SS**Hα-helixtrans-70.7-42.3173.8-161.8170.290.1162.95.7110.6R357 Q358 L359 R364 L365R357-R361 VanDerWaalsContact O-CB 3.29Å; R357-R361 WeakPolarHBondContact O-CB 3.45Å; R357-R361 PolarHBondContact O-N 3.28Å; Q358-R361 PolarHBondContact O-N 3.48Å; L359-R361 VanDerWaalsContact C-N 3.34Å; R361-R364 PolarHBondContact O-N 3.06Å; R361-L365 HydrophobicContact CG-CD1 4.11Å; R361-L365 WeakPolarHBondContact O-CD1 3.45Å; R361-L365 PolarHBondContact O-N 3.32Å
362C53.1Low52.6Low87 Ų87115.8 Ų115.859%0.58858%0.583SS**Hα-helixtrans-60.9-42.2171.8-770000112.3Q358 L359 L365 S366Q358-C362 PolarHBondContact O-N 3.17Å; L359-C362 PolarHBondContact O-N 3.49Å; C362-L365 PolarHBondContact O-N 2.93Å; C362-S366 WeakPolarHBondContact O-CB 3.39Å; C362-S366 PolarHBondContact O-N 3.28Å
363R53.6Low50.4Low188 Ų188117.8 Ų117.871%0.70960%0.598SS**Hα-helixtrans-63-40.8174.2-83.1-171.1-171.9170.74.2112.9L359 S366 G367L359-R363 PolarHBondContact O-N 3.48Å; R363-S366 PolarHBondContact O-N 3.39Å; R363-G367 PolarHBondContact O-N 3.36Å
364R48Very low48.3Very low185 Ų185116.8 Ų116.870%0.69861%0.606SS**Hα-helixtrans-66.8-40.6176.5-83.2-170.6-79176.9-6112.4S360 R361 T368S360-R364 PolarHBondContact O-N 3.1Å; R361-R364 PolarHBondContact O-N 3.06Å; R364-T368 PolarHBondContact O-N 3.33Å; R364-T368 PolarHBondContact O-OG1 3.45Å
365L52.4Low46.2Very low88 Ų88121.5 Ų121.546%0.46163%0.627SS.*Hα-helixtrans-60.6-50.8170.9-95.481.8000110R361 C362 G367 T368 Y369R361-L365 HydrophobicContact CG-CD1 4.11Å; R361-L365 WeakPolarHBondContact O-CD1 3.45Å; R361-L365 PolarHBondContact O-N 3.32Å; C362-L365 PolarHBondContact O-N 2.93Å; L365-G367 VanDerWaalsContact C-N 3.29Å; L365-G367 PolarHBondContact O-N 2.88Å; L365-T368 WeakPolarHBondContact O-CA 3.4Å; L365-T368 PolarHBondContact O-N 3Å; L365-Y369 HydrophobicContact CB-CD2 4.34Å; L365-Y369 HydrophobicContact CB-CE2 4.11Å; L365-Y369 HydrophobicContact CD2-CE2 4.11Å; L365-Y369 HydrophobicContact CG-CE2 4.26Å; L365-Y369 WeakPolarHBondContact O-CD2 3.31Å; L365-Y369 PolarHBondContact O-N 2.61Å; L365-Y369 VanDerWaalsContact O-N 3.15Å
366S45.4Very low44.2Very low88 Ų88126.8 Ų126.862%0.61565%0.652SS**Hα-helixtrans-61.8-31.3-178-163.30000114C362 R363 T368C362-S366 WeakPolarHBondContact O-CB 3.39Å; C362-S366 PolarHBondContact O-N 3.28Å; R363-S366 PolarHBondContact O-N 3.39Å; S366-T368 VanDerWaalsContact C-N 3.27Å; S366-T368 PolarHBondContact O-N 3.22Å
367G37.9Very low42.4Very low66 Ų66127 Ų12768%0.6867%0.666SS**Hα-helixtrans-74.3-14.3172.900000114.5R363 L365R363-G367 PolarHBondContact O-N 3.36Å; L365-G367 VanDerWaalsContact C-N 3.29Å; L365-G367 PolarHBondContact O-N 2.88Å
368T37.1Very low40.5Very low111 Ų111128.6 Ų128.668%0.68168%0.684SS**Hα-helixtrans-96.8-19.5177-42.60000111.8R364 L365 S366 H370R364-T368 PolarHBondContact O-N 3.33Å; R364-T368 PolarHBondContact O-OG1 3.45Å; L365-T368 WeakPolarHBondContact O-CA 3.4Å; L365-T368 PolarHBondContact O-N 3Å; S366-T368 VanDerWaalsContact C-N 3.27Å; S366-T368 PolarHBondContact O-N 3.22Å; T368-H370 PolarHBondContact O-N 3.32Å
369Y25.5Very low38.6Very low160 Ų160131.7 Ų131.763%0.62770%0.699SS**THydrogen-bonded Turntrans-81.536.3178.1-80.3-75.9000114.7L365L365-Y369 HydrophobicContact CB-CD2 4.34Å; L365-Y369 HydrophobicContact CB-CE2 4.11Å; L365-Y369 HydrophobicContact CD2-CE2 4.11Å; L365-Y369 HydrophobicContact CG-CE2 4.26Å; L365-Y369 WeakPolarHBondContact O-CD2 3.31Å; L365-Y369 PolarHBondContact O-N 2.61Å; L365-Y369 VanDerWaalsContact O-N 3.15Å
370H28.1Very low37Very low189 Ų189133.3 Ų133.388%0.87571%0.713SS**THydrogen-bonded Turntrans-87.26.4162.8-122-61.1000113.3T368T368-H370 PolarHBondContact O-N 3.32Å
371Q26.7Very low35.1Very low165 Ų165136.4 Ų136.477%0.77173%0.725SS**SBendtrans-142.7133.1174.9-148.1163-4.900109.6
372V24.5Very low33.6Very low114 Ų114132.5 Ų132.569%0.69172%0.724SS**  trans83.470.3-173.8-154.90000114.4S374V372-S374 PolarHBondContact O-N 3.45Å
373V23Very low32.3Very low136 Ų136135.1 Ų135.182%0.82473%0.732SS**  trans-72.4107.6148.4175.30000106.5L375V373-L375 HydrophobicContact CG1-CD1 4.21Å
374S25.7Very low30.8Very low98 Ų98133.2 Ų133.269%0.68574%0.736SS**  trans-116.7112.7155.450.60000106.5V372V372-S374 PolarHBondContact O-N 3.45Å
375L27.1Very low29.8Very low141 Ų141130.6 Ų130.674%0.73873%0.734SS**  trans-56.7151.3167.8-73.5104.1000109.2V373V373-L375 HydrophobicContact CG1-CD1 4.21Å
376D26.5Very low28.5Very low159 Ų159132 Ų13285%0.8575%0.746SS**  trans94.379.1171.5-46.5-25.5000115.9
377A30.6Very low27.4Very low97 Ų97137.3 Ų137.380%0.80275%0.754SS**  trans-158.586.7149.200000109
378D27.6Very low26.7Very low165 Ų165139.5 Ų139.588%0.88276%0.758SS**  trans-67.5143161.1-71.7-47.5000108.8
379E27.2Very low26.1Very low194 Ų194141.2 Ų141.291%0.90776%0.763SS**  trans79.595.4-177.5-74.3-178.9144.900118D381E379-D381 PolarHBondContact O-N 3.23Å
380V30.5Very low26Very low132 Ų132140.4 Ų140.480%0.877%0.769SS**  trans-80.398.5158178.90000108.4C382V380-C382 PolarHBondContact O-N 3.39Å
381D25.2Very low26Very low123 Ų123140.9 Ų140.966%0.65877%0.772SS**  trans-80.1109.6169.7-171.14.2000110.4E379 N383E379-D381 PolarHBondContact O-N 3.23Å; D381-N383 VanDerWaalsContact C-N 3.27Å; D381-N383 PolarHBondContact O-N 3.31Å; D381-N383 PolarHBondContact OD1-N 3.45Å
382C29.3Very low25.9Very low97 Ų97138.9 Ų138.966%0.65577%0.771SS**THydrogen-bonded Turntrans-819.3-176.8-81.80000114.6V380V380-C382 PolarHBondContact O-N 3.39Å
383N26.2Very low26.1Very low141 Ų141139.8 Ų139.875%0.75477%0.772SS**THydrogen-bonded Turntrans-87.5-2.8-175.1-84.7-21.6000116.5D381 I385D381-N383 VanDerWaalsContact C-N 3.27Å; D381-N383 PolarHBondContact O-N 3.31Å; D381-N383 PolarHBondContact OD1-N 3.45Å; N383-I385 PolarHBondContact O-N 3.21Å
384N23.4Very low26.6Very low148 Ų148138.4 Ų138.479%0.79177%0.766SS**  trans-101.865.2174-81.1-19.6000112.6V386N384-V386 PolarHBondContact O-N 3.27Å
385I25.9Very low26.5Very low131 Ų131141.1 Ų141.167%0.67277%0.772SS**  trans-83.589.2163.6-58.1179.1000107.9N383 Y387N383-I385 PolarHBondContact O-N 3.21Å; I385-Y387 PolarHBondContact O-N 2.91Å
386V24.5Very low26.4Very low116 Ų116142.1 Ų142.170%0.70378%0.777SS**  trans-71118.3166.21780000108.2N384 C388N384-V386 PolarHBondContact O-N 3.27Å; V386-C388 PolarHBondContact O-N 2.89Å; V386-C388 VanDerWaalsContact O-N 3.15Å
387Y24.2Very low26.4Very low200 Ų200139 Ų13978%0.78477%0.768SS**  trans-68.9102.7171.1-75.7-97000109I385 D389I385-Y387 PolarHBondContact O-N 2.91Å; Y387-D389 PolarHBondContact O-N 2.85Å
388C22.9Very low26.2Very low112 Ų112142.2 Ų142.276%0.75777%0.771SS**  trans-89.587164.9-720000109.1V386 N390V386-C388 PolarHBondContact O-N 2.89Å; V386-C388 VanDerWaalsContact O-N 3.15Å; C388-N390 VanDerWaalsContact C-N 3.32Å; C388-N390 PolarHBondContact O-N 2.66Å; C388-N390 VanDerWaalsContact O-N 3.17Å
389D22.9Very low26.1Very low147 Ų147142.7 Ų142.779%0.78677%0.768SS**  trans-76.187.5158.8-75.9-25.5000107.8Y387Y387-D389 PolarHBondContact O-N 2.85Å
390N24Very low25.8Very low144 Ų144142.9 Ų142.977%0.7777%0.769SS**  trans-121.379.3163.4-97.3-4.9000108.2C388 T392C388-N390 VanDerWaalsContact C-N 3.32Å; C388-N390 PolarHBondContact O-N 2.66Å; C388-N390 VanDerWaalsContact O-N 3.17Å; N390-T392 PolarHBondContact O-N 2.9Å; N390-T392 VanDerWaalsContact O-N 3.12Å
391E27.6Very low25.5Very low198 Ų198141.5 Ų141.593%0.92577%0.765SS**  trans-75.178.7156.2-78.5-169.513600108.7N393E391-N393 PolarHBondContact O-N 2.97Å
392T26.1Very low25.2Very low123 Ų123141.6 Ų141.676%0.75578%0.776SS**  trans-83.594.7157.25.60000107.5N390 P394N390-T392 PolarHBondContact O-N 2.9Å; N390-T392 VanDerWaalsContact O-N 3.12Å; T392-P394 WeakPolarHBondContact O-CD 3.5Å
393N27.7Very low24.9Very low134 Ų134142.1 Ų142.172%0.71778%0.78SS**  trans-74.5114.9175.7-159-13000109.2E391 L395E391-N393 PolarHBondContact O-N 2.97Å; N393-L395 VanDerWaalsContact C-N 3.26Å; N393-L395 PolarHBondContact O-N 2.87Å
394P34.1Very low24.6Very low106 Ų106144.6 Ų144.669%0.68879%0.787SS**THydrogen-bonded Turntrans-84.631.4-165.833.8-34.9000114.8T392T392-P394 WeakPolarHBondContact O-CD 3.5Å
395L23.2Very low24.5Very low156 Ų156144.7 Ų144.782%0.81779%0.793SS**THydrogen-bonded Turntrans-117.817.3179.4-75.2178.1000115.2N393N393-L395 VanDerWaalsContact C-N 3.26Å; N393-L395 PolarHBondContact O-N 2.87Å
396L25.7Very low24.4Very low162 Ų162141.9 Ų141.985%0.84880%0.797SS**  trans-120.344.5169.2-81.6166000112.3
397S26.5Very low24.3Very low94 Ų94142.6 Ų142.666%0.65781%0.807SS**SBendtrans-126.369.4161.765.70000108.9
398N26.2Very low24.2Very low163 Ų163136.2 Ų136.287%0.87280%0.801SS**  trans-176.361.9158.6-92.1-10.8000108.7
399Q24.5Very low24.4Very low175 Ų175136.8 Ų136.882%0.81881%0.807SS**  trans-139.197.8155.9-94.1-174.4-1200107.6S401Q399-S401 PolarHBondContact O-N 3.21Å
400E21.9Very low24.5Very low199 Ų199136.9 Ų136.993%0.9380%0.803SS**  trans-56.2112.4158.8-68.9165.7133.300107.8
401S22.5Very low24.6Very low102 Ų102137.7 Ų137.771%0.71381%0.806SS**  trans-129.498.6158.963.30000108Q399 S403Q399-S401 PolarHBondContact O-N 3.21Å; S401-S403 PolarHBondContact O-N 2.92Å
402S20Very low24.4Very low126 Ų126133.7 Ų133.788%0.88179%0.79SS**  trans-48.4113.7165.7-43.90000110.3
403S23.1Very low24.4Very low107 Ų107136.7 Ų136.775%0.74879%0.788SS**  trans-151.798.5157.850.10000108.3S401 V405S401-S403 PolarHBondContact O-N 2.92Å; S403-V405 PolarHBondContact O-N 2.86Å
404E19.7Very low24.3Very low193 Ų193134.7 Ų134.790%0.90278%0.78SS**  trans-55.1112.7167-60.3168.3133.400110
405V22.1Very low23.9Very low151 Ų151139.7 Ų139.792%0.91579%0.785SS**  trans-159.7129.2147.2179.50000108.1S403S403-V405 PolarHBondContact O-N 2.86Å
406G22.1Very low24.1Very low72 Ų72139 Ų13974%0.74278%0.782SS**  trans110.494.8148.400000115.8
407S22.4Very low24.4Very low131 Ų131135.9 Ų135.992%0.91678%0.775SS**  trans-50.9135.2168-172.60000113.5
408G23.3Very low25.5Very low65 Ų65137.1 Ų137.167%0.6778%0.783SS**  trans80.998.3149.400000117.3
409S27.5Very low26.2Very low125 Ų125136.6 Ų136.687%0.87478%0.78SS**  trans-160.8124144.5-780000110
410E25.1Very low26.5Very low149 Ų149135 Ų13570%0.69678%0.777SS**  trans-64.4131.7-164.5-62.6163.1122.200113.6K425E410-K425 WeakPolarHBondContact OE1-CE 3.26Å; E410-K425 IonicContact OE1-NZ 2.74Å; E410-K425 PolarHBondContact OE1-NZ 3.34Å; E410-K425 IonicContact OE2-NZ 2.68Å
411L24.8Very low27Very low161 Ų161131.7 Ų131.784%0.84377%0.765SS**  trans-86.6106.4176.7-100.8158.1000110.6
412L23.5Very low27.2Very low113 Ų113134.2 Ų134.259%0.59277%0.765SS**  trans-90.5118172.7-75.2164000110.5K425L412-K425 HydrophobicContact CD2-CG 4.38Å
413R26Very low27.6Very low186 Ų186133.3 Ų133.370%0.70275%0.754SS**  trans-104.3111.9176.3-176.7-179.6-104.2160-5.3110
414V25.3Very low27.8Very low92 Ų92135.9 Ų135.956%0.55876%0.755SS**  trans-87125.1177.1-179.10000109.5
415R26.5Very low28.2Very low211 Ų211133 Ų13380%0.79674%0.739SS**  trans-118.5118.3177.5-161.2-175.3-118.3164.5-2.6109.4
416N26.7Very low28.6Very low141 Ų141132.4 Ų132.475%0.75473%0.728SS**  trans-78.9122.6175.1-92-8.3000110.2
417S32.8Very low29.1Very low98 Ų98138.9 Ų138.969%0.68575%0.753SS**  trans-130.4141.6158.7-163.70000108.1D419 N420S417-D419 PolarHBondContact O-N 3.44Å; S417-N420 PolarHBondContact O-N 3.37Å
418S50.4Low29.4Very low120 Ų120139.3 Ų139.384%0.83975%0.745SS**THydrogen-bonded Turntrans-60.94.4-147.5-55.30000119.2
419D39.2Very low29.8Very low152 Ų152143.2 Ų143.281%0.81375%0.749SS**THydrogen-bonded Turntrans-141.410.1-179.7-79.6-45000116.5S417S417-D419 PolarHBondContact O-N 3.44Å
420N31Very low29.9Very low140 Ų140144.2 Ų144.275%0.74974%0.742SS**  trans-171.9142.3161.7-104.5-37.4000113.6S417 Q422S417-N420 PolarHBondContact O-N 3.37Å; N420-Q422 PolarHBondContact O-N 3.24Å
421I32.2Very low30.2Very low130 Ų130143.9 Ų143.967%0.66774%0.744SS**  trans-80.5109.6174.3-59.2170.9000108.3
422Q26.6Very low30.5Very low155 Ų155142.9 Ų142.972%0.72474%0.738SS**  trans-114.2118.9168.7-75.7-174.3-10.300110.2N420N420-Q422 PolarHBondContact O-N 3.24Å
423T29.1Very low31Very low107 Ų107144.9 Ų144.966%0.65675%0.748SS**  trans-85.7111.7168.239.40000109
424E28.2Very low31.3Very low162 Ų162141.9 Ų141.976%0.75775%0.751SS**  trans-110.7132.5175.6-153.7174.6-162.800110.3
425K27.2Very low31.8Very low133 Ų133145.8 Ų145.858%0.57877%0.766SS**  trans-81.2118.9179.9-135.8-178.9-177.7-160.80107.7E410 L412 V427E410-K425 WeakPolarHBondContact OE1-CE 3.26Å; E410-K425 IonicContact OE1-NZ 2.74Å; E410-K425 PolarHBondContact OE1-NZ 3.34Å; E410-K425 IonicContact OE2-NZ 2.68Å; L412-K425 HydrophobicContact CD2-CG 4.38Å; K425-V427 PolarHBondContact O-N 3.33Å
426M29.5Very low32.2Very low138 Ų138140.3 Ų140.368%0.6876%0.764SS**  trans-72.5119.3167.7-84.8-174.9177.900108.1
427V33.9Very low32.7Very low208 Ų208140.3 Ų140.3100%1.26176%0.764SS**  trans-680169.1176.50000110K425K425-V427 PolarHBondContact O-N 3.33Å

Retrieved 427 of 427 residues in 242.8 ms (Link to these results)

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