A0A5K4FC69_SCHMA Loading...

Putative tbx2 protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FC69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M68.3Low78.9Confident191 Ų191128.5 Ų128.594%0.94161%0.612SS**  0-43.50-155.7166.6-174.200114T3M1-T3 PolarHBondContact O-N 3.12Å
2K78.9Confident79Confident186 Ų186124.5 Ų124.581%0.80959%0.593SS**Hα-helixtrans-63-35.6179.8-75.4-178178177.30115.1R5 R6K2-R5 PolarHBondContact O-N 2.91Å; K2-R6 PolarHBondContact O-N 2.94Å
3T78.1Confident79.2Confident104 Ų104122.3 Ų122.364%0.63859%0.585SS**Hα-helixtrans-67-44.1-178.246.70000112.9M1 R5 R6 T7M1-T3 PolarHBondContact O-N 3.12Å; T3-R5 VanDerWaalsContact C-N 3.3Å; T3-R5 PolarHBondContact O-N 3.12Å; T3-R6 PolarHBondContact O-N 3.29Å; T3-T7 PolarHBondContact O-N 3.15Å; T3-T7 PolarHBondContact O-OG1 2.79Å
4L77.4Confident79.2Confident130 Ų130122.3 Ų122.368%0.68158%0.584SS**Hα-helixtrans-60.4-36.8176.3-108166.7000113T7 Q8L4-T7 WeakPolarHBondContact CA-OG1 3.27Å; L4-T7 PolarHBondContact O-OG1 2.96Å; L4-Q8 PolarHBondContact O-N 3.06Å
5R78.7Confident79.2Confident157 Ų157125.2 Ų125.259%0.59259%0.587SS**Hα-helixtrans-66.3-46.8177.4-163.9-178.7-65.7170.8-2.7111.1K2 T3 T7 Q8 D9K2-R5 PolarHBondContact O-N 2.91Å; T3-R5 VanDerWaalsContact C-N 3.3Å; T3-R5 PolarHBondContact O-N 3.12Å; R5-T7 VanDerWaalsContact C-N 3.31Å; R5-T7 PolarHBondContact O-N 3.5Å; R5-Q8 WeakPolarHBondContact O-CB 3.36Å; R5-Q8 PolarHBondContact O-N 2.87Å; R5-Q8 VanDerWaalsContact O-N 3.08Å; R5-D9 VanDerWaalsContact O-CG 3.26Å; R5-D9 PolarHBondContact O-N 3.29Å; R5-D9 VanDerWaalsContact O-OD2 3.1Å
6R81.9Confident79.4Confident176 Ų176121.8 Ų121.866%0.66457%0.573SS**Hα-helixtrans-58.8-41178.6-167.9-172.7-63.5156.1-3112.2K2 T3 D9 V10K2-R6 PolarHBondContact O-N 2.94Å; T3-R6 PolarHBondContact O-N 3.29Å; R6-D9 PolarHBondContact O-N 3.41Å; R6-V10 VanDerWaalsContact O-CG2 3.27Å; R6-V10 WeakPolarHBondContact O-CG2 3.34Å; R6-V10 PolarHBondContact O-N 3.06Å; R6-V10 VanDerWaalsContact O-N 3.08Å
7T80.8Confident79.5Confident69 Ų69121.1 Ų121.142%0.42357%0.573SS.*Hα-helixtrans-65.2-40.8176.747.60000111.8T3 L4 R5 V10 F11T3-T7 PolarHBondContact O-N 3.15Å; T3-T7 PolarHBondContact O-OG1 2.79Å; L4-T7 WeakPolarHBondContact CA-OG1 3.27Å; L4-T7 PolarHBondContact O-OG1 2.96Å; R5-T7 VanDerWaalsContact C-N 3.31Å; R5-T7 PolarHBondContact O-N 3.5Å; T7-V10 PolarHBondContact O-N 2.81Å; T7-F11 WeakPolarHBondContact O-CD2 3.24Å; T7-F11 PolarHBondContact O-N 3.22Å
8Q79.5Confident79.7Confident111 Ų111119.6 Ų119.652%0.51957%0.573SS.*Hα-helixtrans-61.7-45.6176.4-175.8-177.8-32.600111.5L4 R5 V10 F11 E12L4-Q8 PolarHBondContact O-N 3.06Å; R5-Q8 WeakPolarHBondContact O-CB 3.36Å; R5-Q8 PolarHBondContact O-N 2.87Å; R5-Q8 VanDerWaalsContact O-N 3.08Å; Q8-V10 VanDerWaalsContact C-N 3.35Å; Q8-V10 PolarHBondContact O-N 3.13Å; Q8-F11 PolarHBondContact O-N 3.21Å; Q8-E12 PolarHBondContact NE2-OE1 2.93Å; Q8-E12 WeakPolarHBondContact O-CG 3.48Å; Q8-E12 PolarHBondContact O-N 2.89Å
9D83Confident79.9Confident75 Ų75114 Ų11440%0.40155%0.55SS.*Hα-helixtrans-60.9-43.3179.1-59.7-37.7000111.3R5 R6 E12 I13R5-D9 VanDerWaalsContact O-CG 3.26Å; R5-D9 PolarHBondContact O-N 3.29Å; R5-D9 VanDerWaalsContact O-OD2 3.1Å; R6-D9 PolarHBondContact O-N 3.41Å; D9-E12 PolarHBondContact O-N 3.42Å; D9-I13 WeakPolarHBondContact O-CD1 3.36Å; D9-I13 VanDerWaalsContact O-CG1 3.25Å; D9-I13 WeakPolarHBondContact O-CG1 3.32Å; D9-I13 PolarHBondContact O-N 2.76Å
10V81.3Confident80.4Confident76 Ų76110.8 Ų110.846%0.46153%0.534SS..Hα-helixtrans-63.1-44.2177.5173.50000111.4R6 T7 Q8 E12 I13 E14R6-V10 VanDerWaalsContact O-CG2 3.27Å; R6-V10 WeakPolarHBondContact O-CG2 3.34Å; R6-V10 PolarHBondContact O-N 3.06Å; R6-V10 VanDerWaalsContact O-N 3.08Å; T7-V10 PolarHBondContact O-N 2.81Å; Q8-V10 VanDerWaalsContact C-N 3.35Å; Q8-V10 PolarHBondContact O-N 3.13Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3Å; V10-I13 PolarHBondContact O-N 3.39Å; V10-E14 PolarHBondContact O-N 2.95Å
11F80Confident80.8Confident138 Ų138109.3 Ų109.361%0.60553%0.533SS*.Hα-helixtrans-66.4-33.4177.1-78.2-62.5000113.4T7 Q8 R15T7-F11 WeakPolarHBondContact O-CD2 3.24Å; T7-F11 PolarHBondContact O-N 3.22Å; Q8-F11 PolarHBondContact O-N 3.21Å; F11-R15 WeakPolarHBondContact O-CB 3.27Å; F11-R15 PolarHBondContact O-N 3.26Å; F11-R15 VanDerWaalsContact O-N 3.11Å
12E79.7Confident81.9Confident81 Ų81102.9 Ų102.938%0.37950%0.501SS..Hα-helixtrans-68.1-42.7173.4-75.8-179.8-162.800111.2Q8 D9 V10 N16Q8-E12 PolarHBondContact NE2-OE1 2.93Å; Q8-E12 WeakPolarHBondContact O-CG 3.48Å; Q8-E12 PolarHBondContact O-N 2.89Å; D9-E12 PolarHBondContact O-N 3.42Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3Å; E12-N16 PolarHBondContact O-N 3.23Å; E12-N16 PolarHBondContact O-ND2 3.2Å
13I81.7Confident82.5Confident96 Ų9694.3 Ų94.349%0.49246%0.464SS..Hα-helixtrans-61.6-48175.6-68.8164.4000110.7D9 V10 R15 N16 I17D9-I13 WeakPolarHBondContact O-CD1 3.36Å; D9-I13 VanDerWaalsContact O-CG1 3.25Å; D9-I13 WeakPolarHBondContact O-CG1 3.32Å; D9-I13 PolarHBondContact O-N 2.76Å; V10-I13 PolarHBondContact O-N 3.39Å; I13-R15 PolarHBondContact O-N 3.38Å; I13-N16 PolarHBondContact O-N 3.12Å; I13-N16 VanDerWaalsContact O-N 3.16Å; I13-I17 HydrophobicContact CG2-CD1 3.63Å; I13-I17 HydrophobicContact CG2-CG1 4.31Å; I13-I17 VanDerWaalsContact O-CG1 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.26Å
14E79.7Confident83.2Confident122 Ų12295.3 Ų95.357%0.5746%0.46SS*.Hα-helixtrans-65.5-40.6-177.7-167.3140.8169.800112.2V10 N16 I17 V18V10-E14 PolarHBondContact O-N 2.95Å; E14-N16 VanDerWaalsContact C-N 3.33Å; E14-N16 PolarHBondContact O-N 3.32Å; E14-I17 PolarHBondContact O-N 3.3Å; E14-V18 WeakPolarHBondContact O-CG2 3.1Å; E14-V18 PolarHBondContact O-N 2.89Å
15R78.6Confident83.9Confident166 Ų16691.7 Ų91.763%0.62645%0.445SS*.Hα-helixtrans-62-39.4172.2-88.5-167.1-71.5162.7-3.5112.8F11 I13 G19F11-R15 WeakPolarHBondContact O-CB 3.27Å; F11-R15 PolarHBondContact O-N 3.26Å; F11-R15 VanDerWaalsContact O-N 3.11Å; I13-R15 PolarHBondContact O-N 3.38Å; R15-G19 PolarHBondContact O-N 3.3Å
16N82.3Confident84.5Confident70 Ų7085.7 Ų85.737%0.37442%0.424SS..Hα-helixtrans-63.7-49.1175.4-69.7-33.4000109.9E12 I13 E14 V18 G19 E20E12-N16 PolarHBondContact O-N 3.23Å; E12-N16 PolarHBondContact O-ND2 3.2Å; I13-N16 PolarHBondContact O-N 3.12Å; I13-N16 VanDerWaalsContact O-N 3.16Å; E14-N16 VanDerWaalsContact C-N 3.33Å; E14-N16 PolarHBondContact O-N 3.32Å; N16-V18 PolarHBondContact O-N 3.08Å; N16-G19 CarbonylContact O-C 3.55Å; N16-G19 PolarHBondContact O-N 3.41Å; N16-G19 VanDerWaalsContact O-N 3.07Å; N16-E20 VanDerWaalsContact O-CG 3.25Å; N16-E20 WeakPolarHBondContact O-CG 3.45Å; N16-E20 PolarHBondContact O-N 2.98Å
17I82.4Confident85Confident111 Ų11178.8 Ų78.857%0.56940%0.4SS*.Hα-helixtrans-57.8-45.5-179.4-67.3167.2000112.2I13 E14 G19 P21I13-I17 HydrophobicContact CG2-CD1 3.63Å; I13-I17 HydrophobicContact CG2-CG1 4.31Å; I13-I17 VanDerWaalsContact O-CG1 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.26Å; E14-I17 PolarHBondContact O-N 3.3Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-P21 VanDerWaalsContact O-CD 3.25Å; I17-P21 WeakPolarHBondContact O-CD 3.38Å
18V82.1Confident85.5Confident93 Ų9381.1 Ų81.156%0.56441%0.41SS*.Hα-helixtrans-69.3-32.9178.2176.70000111.5E14 N16 P21E14-V18 WeakPolarHBondContact O-CG2 3.1Å; E14-V18 PolarHBondContact O-N 2.89Å; N16-V18 PolarHBondContact O-N 3.08Å; V18-P21 WeakPolarHBondContact O-CD 3.36Å; V18-P21 WeakPolarHBondContact O-CG 3.02Å
19G84.1Confident86Confident14 Ų1481.7 Ų81.714%0.14442%0.416CS..Hα-helixtrans-79.4-28.5178.800000114.9R15 N16 I17 E22 I23R15-G19 PolarHBondContact O-N 3.3Å; N16-G19 CarbonylContact O-C 3.55Å; N16-G19 PolarHBondContact O-N 3.41Å; N16-G19 VanDerWaalsContact O-N 3.07Å; I17-G19 VanDerWaalsContact C-N 3.33Å; G19-E22 PolarHBondContact O-N 3.32Å; G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.2Å; G19-I23 PolarHBondContact O-N 3.43Å
20E88.8Confident86.2Confident50 Ų5079.9 Ų79.923%0.23441%0.406CS..Hα-helixtrans-50.8-48.5179.8-72.6-48.6143.500114.4N16 E22 I23 K24 W112N16-E20 VanDerWaalsContact O-CG 3.25Å; N16-E20 WeakPolarHBondContact O-CG 3.45Å; N16-E20 PolarHBondContact O-N 2.98Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.46Å; E20-I23 PolarHBondContact O-N 3.26Å; E20-K24 WeakPolarHBondContact O-CG 3.45Å; E20-K24 PolarHBondContact O-N 2.67Å; E20-W112 WeakPolarHBondContact OE1-CZ2 3.4Å
21P89.8Confident86.5Confident79 Ų7981.9 Ų81.951%0.51341%0.411SS..Hα-helixtrans-63.4-38.3-179.624.8-35.2000112.2I17 V18 K24 S25I17-P21 VanDerWaalsContact O-CD 3.25Å; I17-P21 WeakPolarHBondContact O-CD 3.38Å; V18-P21 WeakPolarHBondContact O-CD 3.36Å; V18-P21 WeakPolarHBondContact O-CG 3.02Å; P21-K24 PolarHBondContact O-N 2.91Å; P21-S25 PolarHBondContact O-N 3.5Å; P21-S25 PolarHBondContact O-OG 3.46Å
22E91.2Very high86.7Confident56 Ų5680 Ų8026%0.26241%0.407SS..Hα-helixtrans-66.1-41.6176.1-64.6-172.4-167.700111.5G19 E20 K24 S25 L26 V119 R122 H123G19-E22 PolarHBondContact O-N 3.32Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.46Å; E22-K24 VanDerWaalsContact C-N 3.33Å; E22-K24 PolarHBondContact O-N 2.86Å; E22-S25 WeakPolarHBondContact CA-OG 3.29Å; E22-S25 PolarHBondContact O-N 2.79Å; E22-S25 PolarHBondContact O-OG 3.23Å; E22-L26 WeakPolarHBondContact O-CB 3.14Å; E22-L26 PolarHBondContact O-N 2.84Å; E22-V119 HydrophobicContact CB-CG1 4.17Å; E22-V119 WeakPolarHBondContact OE2-CG1 3.46Å; E22-R122 IonicContact OE2-CZ 3.01Å; E22-R122 IonicContact OE2-NH2 3.48Å; E22-R122 PolarHBondContact OE2-NH2 2.78Å; E22-H123 IonicContact OE1-CE1 2.67Å; E22-H123 IonicContact OE1-NE2 3.45Å; E22-H123 PolarHBondContact OE1-NE2 3.22Å; E22-H123 IonicContact OE2-CD2 3.56Å; E22-H123 IonicContact OE2-CE1 3.49Å; E22-H123 PolarHBondContact OE2-CE1 3.04Å; E22-H123 IonicContact OE2-NE2 3.79Å; E22-H123 PolarHBondContact OE2-NE2 3.31Å
23I92.1Very high87Confident7 Ų779.7 Ų79.74%0.03640%0.402CS..Hα-helixtrans-61-45.4176-65.6164.4000109.9G19 E20 L26 M27 C115 R116 V119G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.2Å; G19-I23 PolarHBondContact O-N 3.43Å; E20-I23 PolarHBondContact O-N 3.26Å; I23-L26 PolarHBondContact O-N 3.36Å; I23-M27 HydrophobicContact CG2-CE 3.6Å; I23-M27 HydrophobicContact CG2-CG 4.47Å; I23-M27 HydrophobicContact CG2-SD 4.18Å; I23-M27 VanDerWaalsContact O-CG 3.22Å; I23-M27 WeakPolarHBondContact O-CG 3.33Å; I23-M27 PolarHBondContact O-N 2.93Å; I23-C115 HydrophobicContact CG2-CB 4.02Å; I23-R116 HydrophobicContact CD1-CB 3.85Å; I23-R116 HydrophobicContact CD1-CG 3.76Å; I23-R116 HydrophobicContact CG1-CB 4.42Å; I23-V119 HydrophobicContact CG1-CB 4.11Å; I23-V119 HydrophobicContact CG1-CG1 4.33Å; I23-V119 HydrophobicContact CG1-CG2 3.9Å
24K92.3Very high87.2Confident125 Ų12576.1 Ų76.154%0.54338%0.383SS..Hα-helixtrans-63.7-41.3177.3-72.1176.7-177.1-179.20112.4E20 P21 E22 L26 M27 L28E20-K24 WeakPolarHBondContact O-CG 3.45Å; E20-K24 PolarHBondContact O-N 2.67Å; P21-K24 PolarHBondContact O-N 2.91Å; E22-K24 VanDerWaalsContact C-N 3.33Å; E22-K24 PolarHBondContact O-N 2.86Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-M27 WeakPolarHBondContact O-CB 3.35Å; K24-M27 PolarHBondContact O-N 3.31Å; K24-L28 WeakPolarHBondContact O-CG 3.45Å; K24-L28 PolarHBondContact O-N 2.83Å; K24-L28 VanDerWaalsContact O-N 3.1Å
25S93Very high87.3Confident54 Ų5470.8 Ų70.838%0.37836%0.359SS..Hα-helixtrans-61-45.1174.8640000111.4P21 E22 M27 L28 D29P21-S25 PolarHBondContact O-N 3.5Å; P21-S25 PolarHBondContact O-OG 3.46Å; E22-S25 WeakPolarHBondContact CA-OG 3.29Å; E22-S25 PolarHBondContact O-N 2.79Å; E22-S25 PolarHBondContact O-OG 3.23Å; S25-M27 VanDerWaalsContact C-N 3.28Å; S25-M27 PolarHBondContact O-N 3.37Å; S25-L28 PolarHBondContact O-N 2.91Å; S25-D29 PolarHBondContact O-N 3.16Å; S25-D29 VanDerWaalsContact O-N 3.08Å
26L91.5Very high87.6Confident30 Ų3065.4 Ų65.416%0.15734%0.343CS..Hα-helixtrans-63.7-35.9176.5-172.169.8000111.5E22 I23 K24 D29 L30 C115 L118 V119E22-L26 WeakPolarHBondContact O-CB 3.14Å; E22-L26 PolarHBondContact O-N 2.84Å; I23-L26 PolarHBondContact O-N 3.36Å; K24-L26 VanDerWaalsContact C-N 3.34Å; L26-D29 PolarHBondContact O-N 2.87Å; L26-L30 HydrophobicContact CD1-CD1 3.57Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CD2 4.48Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 VanDerWaalsContact O-CD1 3.29Å; L26-L30 WeakPolarHBondContact O-CD1 3.45Å; L26-L30 PolarHBondContact O-N 3.14Å; L26-C115 HydrophobicContact CD2-CB 4.29Å; L26-L118 HydrophobicContact CD2-CB 3.92Å; L26-L118 HydrophobicContact CD2-CD1 4.3Å; L26-V119 HydrophobicContact CB-CG2 4.35Å; L26-V119 HydrophobicContact CD2-CG2 3.66Å
27M91.2Very high87.8Confident31 Ų3162.8 Ų62.815%0.15333%0.329CS..Hα-helixtrans-63.7-39.6176.6-76.8172.3171.100113.6I23 K24 S25 L30 E31 Y111 W112 C115I23-M27 HydrophobicContact CG2-CE 3.6Å; I23-M27 HydrophobicContact CG2-CG 4.47Å; I23-M27 HydrophobicContact CG2-SD 4.18Å; I23-M27 VanDerWaalsContact O-CG 3.22Å; I23-M27 WeakPolarHBondContact O-CG 3.33Å; I23-M27 PolarHBondContact O-N 2.93Å; K24-M27 WeakPolarHBondContact O-CB 3.35Å; K24-M27 PolarHBondContact O-N 3.31Å; S25-M27 VanDerWaalsContact C-N 3.28Å; S25-M27 PolarHBondContact O-N 3.37Å; M27-L30 PolarHBondContact O-N 3.48Å; M27-E31 PolarHBondContact O-N 2.74Å; M27-E31 VanDerWaalsContact O-N 3.08Å; M27-Y111 WeakPolarHBondContact CA-OH 3.2Å; M27-Y111 HydrophobicContact CB-CE1 3.82Å; M27-Y111 HydrophobicContact CE-CD1 4.43Å; M27-Y111 HydrophobicContact CG-CD1 4.2Å; M27-Y111 HydrophobicContact CG-CE1 3.59Å; M27-Y111 PolarHBondContact O-OH 2.85Å; M27-W112 HydrophobicContact CE-CB 3.44Å; M27-W112 VanDerWaalsContact CE-CB 3.44Å; M27-W112 HydrophobicContact CE-CG 3.43Å; M27-W112 VanDerWaalsContact CE-CG 3.43Å; M27-C115 HydrophobicContact CE-CB 4.01Å; M27-C115 HydrophobicContact CG-CB 3.99Å
28L90.7Very high87.9Confident119 Ų11957.8 Ų57.862%0.62330%0.303SS*.Hα-helixtrans-67.6-43.6177.2-67.8170.2000110K24 S25 L30 E31K24-L28 WeakPolarHBondContact O-CG 3.45Å; K24-L28 PolarHBondContact O-N 2.83Å; K24-L28 VanDerWaalsContact O-N 3.1Å; S25-L28 PolarHBondContact O-N 2.91Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 3.33Å; L28-E31 WeakPolarHBondContact O-CB 3.47Å; L28-E31 PolarHBondContact O-N 3.4Å
29D89.9Confident88Confident122 Ų12259.6 Ų59.665%0.65230%0.304SS*.Hα-helixtrans-64.2-31.2177.7-66-18.5000112.7S25 L26S25-D29 PolarHBondContact O-N 3.16Å; S25-D29 VanDerWaalsContact O-N 3.08Å; L26-D29 PolarHBondContact O-N 2.87Å
30L88.6Confident87.8Confident38 Ų3861.6 Ų61.620%0.19932%0.315CS..THydrogen-bonded Turntrans-97.76.3-179.4-83.667.8000113.1L26 M27 L28 D32 W33 F34 I37 Y111 L118L26-L30 HydrophobicContact CD1-CD1 3.57Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CD2 4.48Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 VanDerWaalsContact O-CD1 3.29Å; L26-L30 WeakPolarHBondContact O-CD1 3.45Å; L26-L30 PolarHBondContact O-N 3.14Å; M27-L30 PolarHBondContact O-N 3.48Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 3.33Å; L30-D32 VanDerWaalsContact C-N 3.29Å; L30-D32 PolarHBondContact O-N 3.44Å; L30-W33 CarbonylContact O-C 3.45Å; L30-W33 WeakPolarHBondContact O-CA 3.39Å; L30-W33 PolarHBondContact O-N 3.17Å; L30-F34 PolarHBondContact O-N 2.98Å; L30-I37 HydrophobicContact CB-CD1 3.99Å; L30-I37 HydrophobicContact CD2-CD1 3.73Å; L30-I37 HydrophobicContact CG-CD1 4.15Å; L30-Y111 HydrophobicContact CB-CE2 4.38Å; L30-Y111 WeakPolarHBondContact CB-OH 3.35Å; L30-Y111 PolarHBondContact O-OH 2.84Å; L30-L118 HydrophobicContact CD2-CD1 4.21Å
31E86.3Confident87.6Confident118 Ų11860.3 Ų60.355%0.55131%0.309SS*.G310 helixtrans-59.6-39.7-176.4-171.7163.9-172.700111.8M27 L28 W33 F34M27-E31 PolarHBondContact O-N 2.74Å; M27-E31 VanDerWaalsContact O-N 3.08Å; L28-E31 WeakPolarHBondContact O-CB 3.47Å; L28-E31 PolarHBondContact O-N 3.4Å; E31-W33 PolarHBondContact O-N 3.48Å; E31-W33 VanDerWaalsContact O-N 3.1Å; E31-F34 VanDerWaalsContact O-CB 3.23Å; E31-F34 WeakPolarHBondContact O-CB 3.48Å; E31-F34 PolarHBondContact O-N 3.31Å; E31-F34 VanDerWaalsContact O-N 3.07Å
32D84Confident87.2Confident99 Ų9959.7 Ų59.753%0.52930%0.302SS..G310 helixtrans-61.1-20174.4-66.9-28.4000113.6L30 L95L30-D32 VanDerWaalsContact C-N 3.29Å; L30-D32 PolarHBondContact O-N 3.44Å; D32-L95 WeakPolarHBondContact O-CD2 3.3Å
33W86.5Confident86.6Confident74 Ų7459.4 Ų59.428%0.2830%0.302SS..G310 helixtrans-108.1-1-179.6-69.586.9000113.2L30 E31 S35 L36 I37 I87L30-W33 CarbonylContact O-C 3.45Å; L30-W33 WeakPolarHBondContact O-CA 3.39Å; L30-W33 PolarHBondContact O-N 3.17Å; E31-W33 PolarHBondContact O-N 3.48Å; E31-W33 VanDerWaalsContact O-N 3.1Å; W33-S35 VanDerWaalsContact C-N 3.28Å; W33-S35 PolarHBondContact O-N 3.31Å; W33-S35 VanDerWaalsContact O-N 3.11Å; W33-L36 HydrophobicContact CD2-CD1 4.43Å; W33-L36 HydrophobicContact CE3-CB 4.16Å; W33-L36 HydrophobicContact CE3-CD1 3.41Å; W33-L36 VanDerWaalsContact CE3-CD1 3.41Å; W33-L36 HydrophobicContact CE3-CG 4.41Å; W33-L36 HydrophobicContact CZ3-CD1 3.47Å; W33-L36 VanDerWaalsContact CZ3-CD1 3.47Å; W33-L36 PolarHBondContact O-N 2.87Å; W33-I37 HydrophobicContact CB-CD1 3.73Å; W33-I37 HydrophobicContact CB-CG1 4.2Å; W33-I37 WeakPolarHBondContact O-CG1 3.4Å; W33-I37 PolarHBondContact O-N 3.19Å; W33-I87 HydrophobicContact CH2-CG2 3.49Å; W33-I87 VanDerWaalsContact CH2-CG2 3.49Å; W33-I87 WeakPolarHBondContact CH2-O 3.43Å; W33-I87 HydrophobicContact CZ2-CG2 4.48Å; W33-I87 HydrophobicContact CZ3-CG2 4.06Å
34F85.9Confident85.7Confident20 Ų2059.8 Ų59.89%0.08830%0.304CS..Hα-helixtrans-44.9-52.4-172.3171.9-95.7000112.2L30 E31 L36 I37 V38 P103 D107 H108 Y111L30-F34 PolarHBondContact O-N 2.98Å; E31-F34 VanDerWaalsContact O-CB 3.23Å; E31-F34 WeakPolarHBondContact O-CB 3.48Å; E31-F34 PolarHBondContact O-N 3.31Å; E31-F34 VanDerWaalsContact O-N 3.07Å; F34-L36 PolarHBondContact O-N 3.29Å; F34-I37 WeakPolarHBondContact O-CB 3.29Å; F34-I37 PolarHBondContact O-N 2.72Å; F34-V38 HydrophobicContact CD1-CG2 4.39Å; F34-V38 HydrophobicContact CD2-CG2 4.36Å; F34-V38 HydrophobicContact CE1-CG2 4.03Å; F34-V38 HydrophobicContact CE2-CG2 4.01Å; F34-V38 HydrophobicContact CZ-CG2 3.83Å; F34-V38 WeakPolarHBondContact O-CG2 3.28Å; F34-V38 PolarHBondContact O-N 3.29Å; F34-P103 HydrophobicContact CE1-CB 3.94Å; F34-P103 HydrophobicContact CZ-CB 4.33Å; F34-D107 HydrophobicContact CE1-CB 4.47Å; F34-D107 HydrophobicContact CZ-CB 4.09Å; F34-H108 AromaticContact CE2-ND1 3.86Å; F34-H108 AromaticContact CZ-ND1 3.89Å; F34-Y111 AromaticContact CD2-CD1 3.47Å; F34-Y111 HydrophobicContact CD2-CD1 3.47Å; F34-Y111 VanDerWaalsContact CD2-CD1 3.47Å; F34-Y111 AromaticContact CD2-CD2 3.61Å; F34-Y111 HydrophobicContact CD2-CD2 3.61Å; F34-Y111 AromaticContact CD2-CE1 3.78Å; F34-Y111 HydrophobicContact CD2-CE1 3.78Å; F34-Y111 AromaticContact CD2-CE2 3.95Å; F34-Y111 HydrophobicContact CD2-CE2 3.95Å; F34-Y111 AromaticContact CD2-CG 3.35Å; F34-Y111 HydrophobicContact CD2-CG 3.35Å; F34-Y111 AromaticContact CE2-CD1 3.59Å; F34-Y111 HydrophobicContact CE2-CD1 3.59Å; F34-Y111 HydrophobicContact CE2-CD2 4.09Å; F34-Y111 HydrophobicContact CE2-CE1 4.34Å; F34-Y111 AromaticContact CE2-CG 3.42Å; F34-Y111 HydrophobicContact CE2-CG 3.42Å; F34-Y111 VanDerWaalsContact CE2-CG 3.42Å
35S83.1Confident84.7Confident10 Ų1055.9 Ų55.97%0.0729%0.292CS..Hα-helixtrans-70.5-35-175.6-63.70000114.1W33 I37 K39 L95 F99W33-S35 VanDerWaalsContact C-N 3.28Å; W33-S35 PolarHBondContact O-N 3.31Å; W33-S35 VanDerWaalsContact O-N 3.11Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-K39 VanDerWaalsContact O-CB 3.23Å; S35-K39 WeakPolarHBondContact O-CB 3.41Å; S35-K39 PolarHBondContact O-N 2.83Å; S35-L95 WeakPolarHBondContact OG-CD1 3.27Å; S35-F99 WeakPolarHBondContact OG-CD2 3.23Å; S35-F99 WeakPolarHBondContact OG-CE2 3.48Å; S35-F99 WeakPolarHBondContact OG-CG 3.42Å; S35-F99 VanDerWaalsContact OG-CZ 3.23Å; S35-F99 WeakPolarHBondContact OG-CZ 3.31Å
36L84.4Confident83.4Confident53 Ų5358.9 Ų58.928%0.27730%0.295SS..Hα-helixtrans-67.3-40.8174.7-72173.2000110.1W33 F34 K39 S40 G91 V94W33-L36 HydrophobicContact CD2-CD1 4.43Å; W33-L36 HydrophobicContact CE3-CB 4.16Å; W33-L36 HydrophobicContact CE3-CD1 3.41Å; W33-L36 VanDerWaalsContact CE3-CD1 3.41Å; W33-L36 HydrophobicContact CE3-CG 4.41Å; W33-L36 HydrophobicContact CZ3-CD1 3.47Å; W33-L36 VanDerWaalsContact CZ3-CD1 3.47Å; W33-L36 PolarHBondContact O-N 2.87Å; F34-L36 PolarHBondContact O-N 3.29Å; L36-K39 PolarHBondContact O-N 2.81Å; L36-S40 WeakPolarHBondContact O-CB 3.46Å; L36-S40 PolarHBondContact O-N 3.11Å; L36-S40 PolarHBondContact O-OG 3.47Å; L36-G91 WeakPolarHBondContact CD1-O 3.27Å; L36-V94 HydrophobicContact CD2-CG1 4.07Å
37I86.3Confident82.5Confident16 Ų1665.2 Ų65.28%0.08232%0.321CS..Hα-helixtrans-62.9-52.5175.7-67162.2000110.3L30 W33 F34 S35 K39 S40 E41 Y111 F114L30-I37 HydrophobicContact CB-CD1 3.99Å; L30-I37 HydrophobicContact CD2-CD1 3.73Å; L30-I37 HydrophobicContact CG-CD1 4.15Å; W33-I37 HydrophobicContact CB-CD1 3.73Å; W33-I37 HydrophobicContact CB-CG1 4.2Å; W33-I37 WeakPolarHBondContact O-CG1 3.4Å; W33-I37 PolarHBondContact O-N 3.19Å; F34-I37 WeakPolarHBondContact O-CB 3.29Å; F34-I37 PolarHBondContact O-N 2.72Å; S35-I37 VanDerWaalsContact C-N 3.33Å; I37-K39 VanDerWaalsContact C-N 3.3Å; I37-K39 PolarHBondContact O-N 3.35Å; I37-S40 WeakPolarHBondContact CA-OG 3.43Å; I37-S40 PolarHBondContact O-N 3.03Å; I37-S40 VanDerWaalsContact O-N 3.16Å; I37-S40 PolarHBondContact O-OG 2.91Å; I37-E41 WeakPolarHBondContact O-CB 3.47Å; I37-E41 PolarHBondContact O-N 3.35Å; I37-Y111 HydrophobicContact CD1-CE2 3.92Å; I37-Y111 HydrophobicContact CG2-CD2 4.07Å; I37-Y111 HydrophobicContact CG2-CE2 4.4Å; I37-F114 HydrophobicContact CD1-CE1 4.42Å; I37-F114 HydrophobicContact CG1-CE1 4.36Å; I37-F114 HydrophobicContact CG2-CB 4.45Å; I37-F114 HydrophobicContact CG2-CD1 3.34Å; I37-F114 HydrophobicContact CG2-CD2 4.33Å; I37-F114 HydrophobicContact CG2-CE1 3.45Å; I37-F114 VanDerWaalsContact CG2-CE1 3.45Å; I37-F114 HydrophobicContact CG2-CE2 4.46Å; I37-F114 HydrophobicContact CG2-CG 3.8Å; I37-F114 HydrophobicContact CG2-CZ 4.05Å
38V85Confident81.7Confident5 Ų568.7 Ų68.73%0.0334%0.341CS..Hα-helixtrans-59.1-42178.8171.40000111.2F34 N42 D107F34-V38 HydrophobicContact CD1-CG2 4.39Å; F34-V38 HydrophobicContact CD2-CG2 4.36Å; F34-V38 HydrophobicContact CE1-CG2 4.03Å; F34-V38 HydrophobicContact CE2-CG2 4.01Å; F34-V38 HydrophobicContact CZ-CG2 3.83Å; F34-V38 WeakPolarHBondContact O-CG2 3.28Å; F34-V38 PolarHBondContact O-N 3.29Å; V38-N42 WeakPolarHBondContact O-CB 3.18Å; V38-N42 PolarHBondContact O-N 2.91Å; V38-N42 PolarHBondContact O-ND2 3.33Å; V38-D107 HydrophobicContact CG1-CB 3.97Å; V38-D107 HydrophobicContact CG2-CB 4.38Å
39K83Confident81Confident132 Ų13267.2 Ų67.257%0.57434%0.338SS*.Hα-helixtrans-65.6-43.9176.8-17364173.5-170.50111.7S35 L36 I37 N42 I43S35-K39 VanDerWaalsContact O-CB 3.23Å; S35-K39 WeakPolarHBondContact O-CB 3.41Å; S35-K39 PolarHBondContact O-N 2.83Å; L36-K39 PolarHBondContact O-N 2.81Å; I37-K39 VanDerWaalsContact C-N 3.3Å; I37-K39 PolarHBondContact O-N 3.35Å; K39-N42 PolarHBondContact O-N 3.44Å; K39-I43 HydrophobicContact CD-CD1 4.49Å; K39-I43 HydrophobicContact CG-CD1 4.08Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.5Å; K39-I43 PolarHBondContact O-N 2.85Å
40S81.1Confident80.7Confident56 Ų5671.9 Ų71.939%0.39235%0.346SS..Hα-helixtrans-63.4-44.3178.474.70000111L36 I37 N42 I43 L44L36-S40 WeakPolarHBondContact O-CB 3.46Å; L36-S40 PolarHBondContact O-N 3.11Å; L36-S40 PolarHBondContact O-OG 3.47Å; I37-S40 WeakPolarHBondContact CA-OG 3.43Å; I37-S40 PolarHBondContact O-N 3.03Å; I37-S40 VanDerWaalsContact O-N 3.16Å; I37-S40 PolarHBondContact O-OG 2.91Å; S40-N42 VanDerWaalsContact C-N 3.34Å; S40-N42 PolarHBondContact O-N 2.85Å; S40-I43 PolarHBondContact O-N 2.79Å; S40-L44 WeakPolarHBondContact O-CB 3.07Å; S40-L44 PolarHBondContact O-N 2.85Å
41E83Confident80.3Confident23 Ų2371.8 Ų71.811%0.10735%0.349CS..Hα-helixtrans-61.5-41.2175.8-179.668.9-172.100111.1I37 I43 L44 S45 R117I37-E41 WeakPolarHBondContact O-CB 3.47Å; I37-E41 PolarHBondContact O-N 3.35Å; E41-I43 PolarHBondContact O-N 3.39Å; E41-L44 PolarHBondContact O-N 3.37Å; E41-S45 WeakPolarHBondContact O-CA 3.4Å; E41-S45 WeakPolarHBondContact O-CB 3.3Å; E41-S45 PolarHBondContact O-N 3.41Å; E41-S45 PolarHBondContact O-OG 3.05Å; E41-R117 IonicContact OE1-CZ 2.79Å; E41-R117 IonicContact OE1-NH1 2.7Å; E41-R117 PolarHBondContact OE1-NH1 3.2Å; E41-R117 IonicContact OE1-NH2 3.38Å; E41-R117 PolarHBondContact OE1-NH2 3.21Å; E41-R117 IonicContact OE2-NH2 3.95Å; E41-R117 PolarHBondContact OE2-NH2 2.84Å
42N81.4Confident80.2Confident65 Ų6566.2 Ų66.235%0.34832%0.323SS..Hα-helixtrans-66.5-36.5176.6-79.6-19.7000113.2V38 K39 S40 S45V38-N42 WeakPolarHBondContact O-CB 3.18Å; V38-N42 PolarHBondContact O-N 2.91Å; V38-N42 PolarHBondContact O-ND2 3.33Å; K39-N42 PolarHBondContact O-N 3.44Å; S40-N42 VanDerWaalsContact C-N 3.34Å; S40-N42 PolarHBondContact O-N 2.85Å; N42-S45 PolarHBondContact O-OG 3.41Å
43I78.4Confident80.2Confident51 Ų5167 Ų6726%0.26233%0.327SS..Hα-helixtrans-71-39.6173.9-68.1165.8000110.5K39 S40 E41 T52 V55K39-I43 HydrophobicContact CD-CD1 4.49Å; K39-I43 HydrophobicContact CG-CD1 4.08Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.5Å; K39-I43 PolarHBondContact O-N 2.85Å; S40-I43 PolarHBondContact O-N 2.79Å; E41-I43 PolarHBondContact O-N 3.39Å; I43-T52 PolarHBondContact O-OG1 3.29Å; I43-V55 HydrophobicContact CG2-CG2 3.62Å
44L73.4Confident80.4Confident15 Ų1569.1 Ų69.18%0.07934%0.343CS..Hα-helixtrans-73.8-39.9-174.6-177.763000111.8S40 E41 W46 F175 P178 N179S40-L44 WeakPolarHBondContact O-CB 3.07Å; S40-L44 PolarHBondContact O-N 2.85Å; E41-L44 PolarHBondContact O-N 3.37Å; L44-W46 PolarHBondContact O-N 3.39Å; L44-W46 PolarHBondContact O-NE1 2.93Å; L44-F175 HydrophobicContact CD1-CD1 3.9Å; L44-F175 HydrophobicContact CD1-CD2 4Å; L44-F175 HydrophobicContact CD1-CE1 3.59Å; L44-F175 HydrophobicContact CD1-CE2 3.7Å; L44-F175 HydrophobicContact CD1-CG 4.1Å; L44-F175 HydrophobicContact CD1-CZ 3.48Å; L44-F175 VanDerWaalsContact CD1-CZ 3.48Å; L44-F175 WeakPolarHBondContact CD1-O 3.4Å; L44-P178 HydrophobicContact CD2-CB 4.07Å; L44-P178 HydrophobicContact CD2-CG 3.78Å; L44-N179 HydrophobicContact CD1-CB 3.78Å; L44-N179 HydrophobicContact CD2-CB 4.24Å; L44-N179 HydrophobicContact CG-CB 3.74Å; L44-N179 VanDerWaalsContact O-CG 3.29Å; L44-N179 PolarHBondContact O-OD1 3.42Å
45S71.7Confident80.4Confident43 Ų4369.9 Ų69.930%0.30135%0.349SS..THydrogen-bonded Turntrans-64.312.6-17255.50000116.5E41 N42 K47 N179E41-S45 WeakPolarHBondContact O-CA 3.4Å; E41-S45 WeakPolarHBondContact O-CB 3.3Å; E41-S45 PolarHBondContact O-N 3.41Å; E41-S45 PolarHBondContact O-OG 3.05Å; N42-S45 PolarHBondContact O-OG 3.41Å; S45-K47 PolarHBondContact O-N 3.5Å; S45-N179 WeakPolarHBondContact CA-OD1 3.49Å
46W66.9Low80.6Confident116 Ų11671.2 Ų71.244%0.43936%0.355SS..SBendtrans49.812.7-178.8-63.365.8000115L44 N48 T52 I56 N179L44-W46 PolarHBondContact O-N 3.39Å; L44-W46 PolarHBondContact O-NE1 2.93Å; W46-N48 PolarHBondContact O-N 3.44Å; W46-N48 VanDerWaalsContact O-N 3.15Å; W46-T52 HydrophobicContact CD2-CG2 3.76Å; W46-T52 HydrophobicContact CE3-CG2 4.13Å; W46-T52 HydrophobicContact CG-CG2 4.24Å; W46-T52 HydrophobicContact CH2-CG2 4.14Å; W46-T52 HydrophobicContact CZ2-CG2 3.75Å; W46-T52 HydrophobicContact CZ3-CG2 4.31Å; W46-I56 HydrophobicContact CH2-CD1 4Å; W46-I56 HydrophobicContact CZ2-CD1 4.27Å; W46-N179 VanDerWaalsContact CD1-OD1 3.24Å; W46-N179 VanDerWaalsContact NE1-CG 3.33Å; W46-N179 PolarHBondContact NE1-ND2 3.45Å
47K71.2Confident80.8Confident164 Ų16474.9 Ų74.971%0.71337%0.369SS*.SBendtrans-58.6-33.3179.4-171.6164.2179.5170.30110.6S45S45-K47 PolarHBondContact O-N 3.5Å
48N73.9Confident81Confident104 Ų10476.5 Ų76.556%0.55639%0.385SS*.SBendtrans-118.7104.1168.9-66.5-35.1000109.9W46 R50 S51 T52W46-N48 PolarHBondContact O-N 3.44Å; W46-N48 VanDerWaalsContact O-N 3.15Å; N48-R50 PolarHBondContact O-N 2.88Å; N48-S51 WeakPolarHBondContact CB-OG 3.47Å; N48-S51 PolarHBondContact O-N 3.46Å; N48-S51 VanDerWaalsContact O-N 3.13Å; N48-S51 PolarHBondContact O-OG 3.06Å; N48-T52 PolarHBondContact O-N 2.84Å; N48-T52 PolarHBondContact O-OG1 3.2Å
49P77.2Confident81.2Confident87 Ų8778.4 Ų78.457%0.56539%0.394SS*.Hα-helixtrans-59.6-26.8-178.823.6-34000112.5L53P49-L53 VanDerWaalsContact O-CB 3.27Å; P49-L53 WeakPolarHBondContact O-CB 3.49Å; P49-L53 PolarHBondContact O-N 3.5Å
50R83.1Confident81.4Confident221 Ų22174 Ų7483%0.83438%0.378SS*.Hα-helixtrans-65-43.3177.7-64.4-177.5-174.4149.40.6113N48 L54N48-R50 PolarHBondContact O-N 2.88Å; R50-L54 WeakPolarHBondContact O-CB 3.37Å; R50-L54 PolarHBondContact O-N 2.94Å; R50-L54 VanDerWaalsContact O-N 3.08Å
51S80.8Confident81.9Confident36 Ų3674.6 Ų74.625%0.25238%0.376SS..Hα-helixtrans-70.8-40-179.252.50000111.2N48 L54 V55N48-S51 WeakPolarHBondContact CB-OG 3.47Å; N48-S51 PolarHBondContact O-N 3.46Å; N48-S51 VanDerWaalsContact O-N 3.13Å; N48-S51 PolarHBondContact O-OG 3.06Å; S51-L54 PolarHBondContact O-N 3.27Å; S51-V55 WeakPolarHBondContact O-CG2 3.39Å; S51-V55 PolarHBondContact O-N 2.94Å; S51-V55 VanDerWaalsContact O-N 3.1Å
52T83.7Confident82.1Confident0 Ų079 Ų790%040%0.4CS..Hα-helixtrans-66.2-41177.6-45.30000111.4I43 W46 N48 L54 V55 I56 F175I43-T52 PolarHBondContact O-OG1 3.29Å; W46-T52 HydrophobicContact CD2-CG2 3.76Å; W46-T52 HydrophobicContact CE3-CG2 4.13Å; W46-T52 HydrophobicContact CG-CG2 4.24Å; W46-T52 HydrophobicContact CH2-CG2 4.14Å; W46-T52 HydrophobicContact CZ2-CG2 3.75Å; W46-T52 HydrophobicContact CZ3-CG2 4.31Å; N48-T52 PolarHBondContact O-N 2.84Å; N48-T52 PolarHBondContact O-OG1 3.2Å; T52-L54 VanDerWaalsContact C-N 3.33Å; T52-L54 PolarHBondContact O-N 3.05Å; T52-V55 PolarHBondContact O-N 3.39Å; T52-I56 HydrophobicContact CG2-CD1 4.21Å; T52-I56 WeakPolarHBondContact O-CG1 3.23Å; T52-I56 PolarHBondContact O-N 3.38Å; T52-F175 HydrophobicContact CG2-CE1 4.19Å
53L85.2Confident82.3Confident117 Ų11777.8 Ų77.861%0.61339%0.392SS*.Hα-helixtrans-61.1-41.3174.4-174.766.4000111.9P49 V55 I56 F57P49-L53 VanDerWaalsContact O-CB 3.27Å; P49-L53 WeakPolarHBondContact O-CB 3.49Å; P49-L53 PolarHBondContact O-N 3.5Å; L53-V55 PolarHBondContact O-N 2.9Å; L53-I56 PolarHBondContact O-N 2.85Å; L53-F57 VanDerWaalsContact O-CB 3.27Å; L53-F57 WeakPolarHBondContact O-CB 3.48Å; L53-F57 PolarHBondContact O-N 3.49Å
54L89.2Confident82.6Confident117 Ų11779.9 Ų79.961%0.61340%0.403SS*.Hα-helixtrans-62.9-41.9177.8-168.8155.2000111.5R50 S51 T52 F57 A58R50-L54 WeakPolarHBondContact O-CB 3.37Å; R50-L54 PolarHBondContact O-N 2.94Å; R50-L54 VanDerWaalsContact O-N 3.08Å; S51-L54 PolarHBondContact O-N 3.27Å; T52-L54 VanDerWaalsContact C-N 3.33Å; T52-L54 PolarHBondContact O-N 3.05Å; L54-F57 PolarHBondContact O-N 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.39Å
55V86.7Confident83.2Confident37 Ų3783 Ų8322%0.22442%0.42CS..Hα-helixtrans-64.5-46.1176.3174.10000111.5I43 S51 T52 L53 F57 A58 I59 F175I43-V55 HydrophobicContact CG2-CG2 3.62Å; S51-V55 WeakPolarHBondContact O-CG2 3.39Å; S51-V55 PolarHBondContact O-N 2.94Å; S51-V55 VanDerWaalsContact O-N 3.1Å; T52-V55 PolarHBondContact O-N 3.39Å; L53-V55 PolarHBondContact O-N 2.9Å; V55-F57 VanDerWaalsContact C-N 3.28Å; V55-F57 PolarHBondContact O-N 2.88Å; V55-A58 PolarHBondContact O-N 3.2Å; V55-I59 HydrophobicContact CG1-CD1 3.82Å; V55-I59 HydrophobicContact CG1-CG1 4.44Å; V55-I59 VanDerWaalsContact O-CG1 3.29Å; V55-I59 WeakPolarHBondContact O-CG1 3.1Å; V55-I59 PolarHBondContact O-N 2.91Å; V55-F175 HydrophobicContact CB-CZ 4.33Å; V55-F175 HydrophobicContact CG1-CE1 4.34Å; V55-F175 HydrophobicContact CG1-CE2 3.91Å; V55-F175 HydrophobicContact CG1-CZ 3.62Å
56I86.7Confident83.8Confident37 Ų3783.6 Ų83.619%0.1942%0.421CS..Hα-helixtrans-59.5-43.1176.3-66.7166.7000110.3W46 T52 L53 I59 T60W46-I56 HydrophobicContact CH2-CD1 4Å; W46-I56 HydrophobicContact CZ2-CD1 4.27Å; T52-I56 HydrophobicContact CG2-CD1 4.21Å; T52-I56 WeakPolarHBondContact O-CG1 3.23Å; T52-I56 PolarHBondContact O-N 3.38Å; L53-I56 PolarHBondContact O-N 2.85Å; I56-I59 PolarHBondContact O-N 2.71Å; I56-T60 WeakPolarHBondContact O-CB 3.41Å; I56-T60 PolarHBondContact O-N 3.39Å; I56-T60 PolarHBondContact O-OG1 3.04Å
57F89.6Confident84.5Confident131 Ų13182.3 Ų82.358%0.57542%0.42SS*.Hα-helixtrans-64.8-42.3177.6-171.9-111000112.1L53 L54 V55 T60 I61L53-F57 VanDerWaalsContact O-CB 3.27Å; L53-F57 WeakPolarHBondContact O-CB 3.48Å; L53-F57 PolarHBondContact O-N 3.49Å; L54-F57 PolarHBondContact O-N 3.28Å; V55-F57 VanDerWaalsContact C-N 3.28Å; V55-F57 PolarHBondContact O-N 2.88Å; F57-T60 WeakPolarHBondContact O-CB 2.94Å; F57-T60 PolarHBondContact O-N 2.72Å; F57-I61 HydrophobicContact CD1-CD1 3.56Å; F57-I61 HydrophobicContact CD1-CG1 4.41Å; F57-I61 HydrophobicContact CE1-CD1 3.2Å; F57-I61 HydrophobicContact CE1-CG1 4.16Å; F57-I61 HydrophobicContact CE2-CD1 4.41Å; F57-I61 HydrophobicContact CG-CD1 4.33Å; F57-I61 HydrophobicContact CZ-CD1 3.67Å; F57-I61 HydrophobicContact CZ-CG1 4.23Å; F57-I61 WeakPolarHBondContact O-CG1 3.41Å; F57-I61 PolarHBondContact O-N 3.44Å
58A90.2Very high85.2Confident50 Ų5079.9 Ų79.941%0.41342%0.418SS..Hα-helixtrans-62.3-43.1175.400000111.9L54 V55 T60 I61 L62L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.39Å; V55-A58 PolarHBondContact O-N 3.2Å; A58-T60 VanDerWaalsContact C-N 3.31Å; A58-T60 PolarHBondContact O-N 3.29Å; A58-I61 PolarHBondContact O-N 2.74Å; A58-L62 WeakPolarHBondContact O-CB 2.98Å; A58-L62 PolarHBondContact O-N 3.34Å
59I88.3Confident85.7Confident44 Ų4483.2 Ų83.223%0.22642%0.424CS..Hα-helixtrans-61.7-42.8173.9-66.5165.2000110.2V55 I56 L62 F63 Y168 I171V55-I59 HydrophobicContact CG1-CD1 3.82Å; V55-I59 HydrophobicContact CG1-CG1 4.44Å; V55-I59 VanDerWaalsContact O-CG1 3.29Å; V55-I59 WeakPolarHBondContact O-CG1 3.1Å; V55-I59 PolarHBondContact O-N 2.91Å; I56-I59 PolarHBondContact O-N 2.71Å; I59-L62 PolarHBondContact O-N 3.44Å; I59-F63 VanDerWaalsContact O-CB 3.22Å; I59-F63 WeakPolarHBondContact O-CB 3.3Å; I59-F63 PolarHBondContact O-N 2.78Å; I59-Y168 HydrophobicContact CG2-CE2 4.34Å; I59-I171 HydrophobicContact CG2-CG2 4.09Å
60T88.6Confident86Confident39 Ų3986.3 Ų86.324%0.23943%0.431CS..Hα-helixtrans-62.6-44.9178.3-53.30000111.3I56 F57 A58 F63 L64 Y168I56-T60 WeakPolarHBondContact O-CB 3.41Å; I56-T60 PolarHBondContact O-N 3.39Å; I56-T60 PolarHBondContact O-OG1 3.04Å; F57-T60 WeakPolarHBondContact O-CB 2.94Å; F57-T60 PolarHBondContact O-N 2.72Å; A58-T60 VanDerWaalsContact C-N 3.31Å; A58-T60 PolarHBondContact O-N 3.29Å; T60-F63 PolarHBondContact O-N 2.79Å; T60-L64 HydrophobicContact CG2-CD1 4.29Å; T60-L64 WeakPolarHBondContact O-CB 3.3Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 3.05Å; T60-Y168 PolarHBondContact OG1-OH 3.2Å
61I90.4Very high85.8Confident70 Ų7077.4 Ų77.436%0.35940%0.402SS..Hα-helixtrans-63.3-48175.8-70.3167.4000111F57 A58 F63 L64 L65F57-I61 HydrophobicContact CD1-CD1 3.56Å; F57-I61 HydrophobicContact CD1-CG1 4.41Å; F57-I61 HydrophobicContact CE1-CD1 3.2Å; F57-I61 HydrophobicContact CE1-CG1 4.16Å; F57-I61 HydrophobicContact CE2-CD1 4.41Å; F57-I61 HydrophobicContact CG-CD1 4.33Å; F57-I61 HydrophobicContact CZ-CD1 3.67Å; F57-I61 HydrophobicContact CZ-CG1 4.23Å; F57-I61 WeakPolarHBondContact O-CG1 3.41Å; F57-I61 PolarHBondContact O-N 3.44Å; A58-I61 PolarHBondContact O-N 2.74Å; I61-F63 PolarHBondContact O-N 3.25Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.16Å; I61-L65 HydrophobicContact CG2-CD1 4Å; I61-L65 HydrophobicContact CG2-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CG 3.35Å; I61-L65 PolarHBondContact O-N 3.45Å
62L87Confident86Confident115 Ų11580 Ų8060%0.60242%0.418SS*.Hα-helixtrans-55.5-43.4178.8-17969.1000110.7A58 I59 L65 V66A58-L62 WeakPolarHBondContact O-CB 2.98Å; A58-L62 PolarHBondContact O-N 3.34Å; I59-L62 PolarHBondContact O-N 3.44Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 3.49Å; L62-V66 WeakPolarHBondContact O-CG2 3.44Å; L62-V66 PolarHBondContact O-N 2.83Å
63F85.2Confident86Confident39 Ų3986.2 Ų86.217%0.17145%0.45CS..Hα-helixtrans-69.6-39.6179.1-179.7-98000112.9I59 T60 I61 L65 V66 H67 L164 Y168I59-F63 VanDerWaalsContact O-CB 3.22Å; I59-F63 WeakPolarHBondContact O-CB 3.3Å; I59-F63 PolarHBondContact O-N 2.78Å; T60-F63 PolarHBondContact O-N 2.79Å; I61-F63 PolarHBondContact O-N 3.25Å; F63-L65 VanDerWaalsContact C-N 3.3Å; F63-L65 PolarHBondContact O-N 2.83Å; F63-V66 PolarHBondContact O-N 3.4Å; F63-H67 WeakPolarHBondContact O-CB 3.33Å; F63-H67 PolarHBondContact O-N 2.98Å; F63-L164 HydrophobicContact CE1-CB 4.43Å; F63-L164 VanDerWaalsContact CE2-C 3.41Å; F63-L164 HydrophobicContact CE2-CB 3.57Å; F63-L164 HydrophobicContact CE2-CD2 4.14Å; F63-L164 HydrophobicContact CE2-CG 4.45Å; F63-L164 WeakPolarHBondContact CE2-O 3.31Å; F63-L164 HydrophobicContact CZ-CB 3.34Å; F63-L164 WeakPolarHBondContact CZ-O 3.23Å; F63-Y168 HydrophobicContact CB-CD2 4.15Å; F63-Y168 AromaticContact CD1-CD2 3.94Å; F63-Y168 HydrophobicContact CD1-CD2 3.94Å; F63-Y168 HydrophobicContact CD1-CG 4.11Å; F63-Y168 HydrophobicContact CD2-CD2 4.4Å; F63-Y168 HydrophobicContact CE1-CD2 4.47Å; F63-Y168 HydrophobicContact CE1-CG 4.18Å; F63-Y168 AromaticContact CG-CD2 3.88Å; F63-Y168 HydrophobicContact CG-CD2 3.88Å; F63-Y168 HydrophobicContact CG-CG 4.29Å; F63-Y168 HydrophobicContact CZ-CG 4.43Å
64L86.5Confident85.9Confident96 Ų9688 Ų8850%0.50346%0.459SS..Hα-helixtrans-61.1-39170.9-74.7171.7000111.8T60 I61 H67 V68T60-L64 HydrophobicContact CG2-CD1 4.29Å; T60-L64 WeakPolarHBondContact O-CB 3.3Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 3.05Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.16Å; L64-H67 PolarHBondContact O-N 3.41Å; L64-V68 WeakPolarHBondContact O-CG2 3.44Å; L64-V68 PolarHBondContact O-N 2.95Å
65L85.5Confident85.8Confident81 Ų8188.5 Ų88.542%0.42446%0.456SS..Hα-helixtrans-62.9-49.5174.4-68.5167.8000110.5I61 L62 F63 H67 V68 Y69I61-L65 HydrophobicContact CG2-CD1 4Å; I61-L65 HydrophobicContact CG2-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CG 3.35Å; I61-L65 PolarHBondContact O-N 3.45Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 3.49Å; F63-L65 VanDerWaalsContact C-N 3.3Å; F63-L65 PolarHBondContact O-N 2.83Å; L65-H67 PolarHBondContact O-N 3.11Å; L65-V68 PolarHBondContact O-N 3.19Å; L65-V68 VanDerWaalsContact O-N 3.12Å; L65-Y69 HydrophobicContact CB-CD2 4.27Å; L65-Y69 HydrophobicContact CB-CE2 4.39Å; L65-Y69 HydrophobicContact CD2-CE2 3.94Å; L65-Y69 WeakPolarHBondContact O-CD2 3.43Å; L65-Y69 PolarHBondContact O-N 2.83Å
66V83.5Confident85.8Confident55 Ų5590 Ų9033%0.33347%0.465SS..Hα-helixtrans-57.7-37.5176.2173.40000111.4L62 F63 E70 P71 L164L62-V66 WeakPolarHBondContact O-CG2 3.44Å; L62-V66 PolarHBondContact O-N 2.83Å; F63-V66 PolarHBondContact O-N 3.4Å; V66-E70 PolarHBondContact O-N 2.74Å; V66-E70 VanDerWaalsContact O-N 3.12Å; V66-P71 HydrophobicContact CG1-CG 4.25Å; V66-P71 VanDerWaalsContact O-CD 3.29Å; V66-P71 WeakPolarHBondContact O-CD 3.2Å; V66-L164 HydrophobicContact CG1-CD2 3.86Å
67H83.1Confident85.8Confident89 Ų8994.3 Ų94.341%0.41249%0.486SS..Hα-helixtrans-66.6-40.5176.2-174.848.9000113.4F63 L64 L65 E70 L164F63-H67 WeakPolarHBondContact O-CB 3.33Å; F63-H67 PolarHBondContact O-N 2.98Å; L64-H67 PolarHBondContact O-N 3.41Å; L65-H67 PolarHBondContact O-N 3.11Å; H67-E70 VanDerWaalsContact O-CG 3.32Å; H67-E70 WeakPolarHBondContact O-CG 2.73Å; H67-L164 HydrophobicContact CB-CD1 3.87Å; H67-L164 WeakPolarHBondContact ND1-CD1 3.43Å
68V85.1Confident86Confident112 Ų11289.9 Ų89.968%0.67948%0.478SS*.Hα-helixtrans-73.5-37.6179.2171.30000112L64 L65L64-V68 WeakPolarHBondContact O-CG2 3.44Å; L64-V68 PolarHBondContact O-N 2.95Å; L65-V68 PolarHBondContact O-N 3.19Å; L65-V68 VanDerWaalsContact O-N 3.12Å
69Y84.1Confident85.9Confident175 Ų17589.3 Ų89.369%0.68647%0.47SS*.Hα-helixtrans-81.6-18.4-176.6-76.7-71.5000113.8L65 P71L65-Y69 HydrophobicContact CB-CD2 4.27Å; L65-Y69 HydrophobicContact CB-CE2 4.39Å; L65-Y69 HydrophobicContact CD2-CE2 3.94Å; L65-Y69 WeakPolarHBondContact O-CD2 3.43Å; L65-Y69 PolarHBondContact O-N 2.83Å; Y69-P71 VanDerWaalsContact C-N 3.29Å; Y69-P71 VanDerWaalsContact O-N 3.16Å
70E82.7Confident86Confident151 Ų15190 Ų9071%0.70648%0.479SS*.  trans3655.9-174-62.9-166.2117.100112.8V66 H67V66-E70 PolarHBondContact O-N 2.74Å; V66-E70 VanDerWaalsContact O-N 3.12Å; H67-E70 VanDerWaalsContact O-CG 3.32Å; H67-E70 WeakPolarHBondContact O-CG 2.73Å
71P80.2Confident86.2Confident34 Ų3489.7 Ų89.722%0.22148%0.484CS..  trans-63144.8-17326.6-34.1000110.8V66 Y69 F75 V76V66-P71 HydrophobicContact CG1-CG 4.25Å; V66-P71 VanDerWaalsContact O-CD 3.29Å; V66-P71 WeakPolarHBondContact O-CD 3.2Å; Y69-P71 VanDerWaalsContact C-N 3.29Å; Y69-P71 VanDerWaalsContact O-N 3.16Å; P71-F75 HydrophobicContact CB-CD1 3.85Å; P71-V76 HydrophobicContact CB-CG2 4.34Å; P71-V76 HydrophobicContact CG-CG2 3.93Å
72P85.3Confident86.3Confident90 Ų9092.1 Ų92.158%0.58450%0.497SS*.  trans-61.6144.3178.324.3-31.7000110.7L74 F75 V76P72-L74 PolarHBondContact O-N 2.93Å; P72-F75 HydrophobicContact CG-CB 3.88Å; P72-F75 WeakPolarHBondContact O-CA 3.25Å; P72-F75 WeakPolarHBondContact O-CB 3.27Å; P72-F75 PolarHBondContact O-N 2.98Å; P72-V76 PolarHBondContact O-N 3.26Å
73I82.4Confident86.6Confident132 Ų13291.8 Ų91.868%0.67750%0.495SS*.Hα-helixtrans-52.7-36.3-176.1-60.3167.7000112F75 V76 M77I73-F75 VanDerWaalsContact C-N 3.35Å; I73-F75 PolarHBondContact O-N 3.45Å; I73-V76 WeakPolarHBondContact O-CB 3.14Å; I73-V76 PolarHBondContact O-N 3.11Å; I73-M77 HydrophobicContact CG2-CG 4.38Å; I73-M77 WeakPolarHBondContact O-CG 3.38Å; I73-M77 PolarHBondContact O-N 3.27Å
74L84.3Confident86.9Confident153 Ų15395 Ų9580%0.80151%0.513SS*.Hα-helixtrans-62.5-39.8176.8-67.7167.2000112.6P72 V76 M77 G78P72-L74 PolarHBondContact O-N 2.93Å; L74-V76 VanDerWaalsContact C-N 3.33Å; L74-M77 PolarHBondContact O-N 2.92Å; L74-G78 PolarHBondContact O-N 3.35Å
75F87.3Confident87.2Confident128 Ų12894.1 Ų94.156%0.56152%0.515SS*.Hα-helixtrans-66.7-38.5175.5-177.9-97.9000110.9P71 P72 I73 G78 C79P71-F75 HydrophobicContact CB-CD1 3.85Å; P72-F75 HydrophobicContact CG-CB 3.88Å; P72-F75 WeakPolarHBondContact O-CA 3.25Å; P72-F75 WeakPolarHBondContact O-CB 3.27Å; P72-F75 PolarHBondContact O-N 2.98Å; I73-F75 VanDerWaalsContact C-N 3.35Å; I73-F75 PolarHBondContact O-N 3.45Å; F75-G78 PolarHBondContact O-N 2.91Å; F75-C79 WeakPolarHBondContact CE1-SG 3.28Å; F75-C79 WeakPolarHBondContact CZ-SG 3.49Å; F75-C79 VanDerWaalsContact O-CB 3.23Å; F75-C79 WeakPolarHBondContact O-CB 3.17Å; F75-C79 PolarHBondContact O-N 3.36Å; F75-C79 PolarHBondContact O-SG 2.89Å
76V85.2Confident87.5Confident68 Ų6892.5 Ų92.541%0.41251%0.511SS..Hα-helixtrans-63.5-44.6175.1179.30000111.1P71 P72 I73 L74 S80P71-V76 HydrophobicContact CB-CG2 4.34Å; P71-V76 HydrophobicContact CG-CG2 3.93Å; P72-V76 PolarHBondContact O-N 3.26Å; I73-V76 WeakPolarHBondContact O-CB 3.14Å; I73-V76 PolarHBondContact O-N 3.11Å; L74-V76 VanDerWaalsContact C-N 3.33Å; V76-S80 VanDerWaalsContact O-CB 3.28Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 3.35Å; V76-S80 PolarHBondContact O-OG 2.9Å
77M87.6Confident87.8Confident128 Ų12894.3 Ų94.363%0.63152%0.518SS*.Hα-helixtrans-65.4-41.1177.1-70-67.2-171.900112.6I73 L74 S80 G81I73-M77 HydrophobicContact CG2-CG 4.38Å; I73-M77 WeakPolarHBondContact O-CG 3.38Å; I73-M77 PolarHBondContact O-N 3.27Å; L74-M77 PolarHBondContact O-N 2.92Å; M77-S80 WeakPolarHBondContact CA-OG 3.48Å; M77-S80 PolarHBondContact O-OG 2.92Å; M77-G81 PolarHBondContact O-N 3.39Å; M77-G81 VanDerWaalsContact O-N 3.11Å
78G93.5Very high88Confident38 Ų3894.5 Ų94.539%0.39252%0.522SS..Hα-helixtrans-65.7-47.1175.400000112L74 F75 S80 G81 L82L74-G78 PolarHBondContact O-N 3.35Å; F75-G78 PolarHBondContact O-N 2.91Å; G78-S80 PolarHBondContact O-N 2.79Å; G78-G81 PolarHBondContact O-N 3.28Å; G78-L82 WeakPolarHBondContact O-CG 3.15Å; G78-L82 PolarHBondContact O-N 2.83Å
79C89Confident88.2Confident38 Ų3896.8 Ų96.826%0.25752%0.52SS..Hα-helixtrans-63.2-40.5176.6-72.40000112.1F75 L82 L83F75-C79 WeakPolarHBondContact CE1-SG 3.28Å; F75-C79 WeakPolarHBondContact CZ-SG 3.49Å; F75-C79 VanDerWaalsContact O-CB 3.23Å; F75-C79 WeakPolarHBondContact O-CB 3.17Å; F75-C79 PolarHBondContact O-N 3.36Å; F75-C79 PolarHBondContact O-SG 2.89Å; C79-L82 PolarHBondContact O-N 3.4Å; C79-L83 VanDerWaalsContact O-CB 3.28Å; C79-L83 WeakPolarHBondContact O-CB 3.17Å; C79-L83 WeakPolarHBondContact O-CG 3.28Å; C79-L83 PolarHBondContact O-N 3.38Å
80S88.6Confident88.2Confident59 Ų5993.7 Ų93.741%0.41351%0.51SS..Hα-helixtrans-65.8-40.5179.168.20000111.9V76 M77 G78 L83 L84V76-S80 VanDerWaalsContact O-CB 3.28Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 3.35Å; V76-S80 PolarHBondContact O-OG 2.9Å; M77-S80 WeakPolarHBondContact CA-OG 3.48Å; M77-S80 PolarHBondContact O-OG 2.92Å; G78-S80 PolarHBondContact O-N 2.79Å; S80-L83 PolarHBondContact O-N 3.36Å; S80-L84 WeakPolarHBondContact O-CB 3.34Å; S80-L84 PolarHBondContact O-N 2.87Å
81G93.1Very high88.2Confident33 Ų3386.7 Ų86.734%0.3448%0.478SS..Hα-helixtrans-62.7-47.1173.200000112.5M77 G78 L83 L84 S85M77-G81 PolarHBondContact O-N 3.39Å; M77-G81 VanDerWaalsContact O-N 3.11Å; G78-G81 PolarHBondContact O-N 3.28Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.24Å; G81-L84 PolarHBondContact O-N 3.02Å; G81-S85 PolarHBondContact O-N 3.42Å; G81-S85 PolarHBondContact O-OG 3.08Å
82L94.1Very high88.1Confident120 Ų12087.5 Ų87.563%0.62848%0.483SS*.Hα-helixtrans-60.9-40.9175.5-73174.3000112.1G78 C79 S86G78-L82 WeakPolarHBondContact O-CG 3.15Å; G78-L82 PolarHBondContact O-N 2.83Å; C79-L82 PolarHBondContact O-N 3.4Å; L82-S86 WeakPolarHBondContact O-CB 3.23Å; L82-S86 PolarHBondContact O-N 2.83Å; L82-S86 PolarHBondContact O-OG 3.28Å
83L91.4Very high87.9Confident109 Ų10985.6 Ų85.657%0.57147%0.468SS*.Hα-helixtrans-64.3-42.2175.7-76.3169.5000111.3C79 S80 G81 S86 I87C79-L83 VanDerWaalsContact O-CB 3.28Å; C79-L83 WeakPolarHBondContact O-CB 3.17Å; C79-L83 WeakPolarHBondContact O-CG 3.28Å; C79-L83 PolarHBondContact O-N 3.38Å; S80-L83 PolarHBondContact O-N 3.36Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.24Å; L83-S86 PolarHBondContact O-N 2.78Å; L83-I87 WeakPolarHBondContact O-CB 3.19Å; L83-I87 WeakPolarHBondContact O-CD1 3.38Å; L83-I87 WeakPolarHBondContact O-CG1 3.33Å; L83-I87 PolarHBondContact O-N 3.39Å
84L92.1Very high87.7Confident105 Ų10582 Ų8255%0.5545%0.452SS..Hα-helixtrans-62.2-50.7177.3-17561.7000111.1S80 G81 S86 I87 D88S80-L84 WeakPolarHBondContact O-CB 3.34Å; S80-L84 PolarHBondContact O-N 2.87Å; G81-L84 PolarHBondContact O-N 3.02Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.49Å; L84-I87 PolarHBondContact O-N 3.38Å; L84-I87 VanDerWaalsContact O-N 3.14Å; L84-D88 PolarHBondContact O-N 3.44Å
85S93.1Very high87.1Confident78 Ų7876.7 Ų76.755%0.54542%0.424SS..Hα-helixtrans-62.5-34.8176.3-57.10000112.7G81 Y89G81-S85 PolarHBondContact O-N 3.42Å; G81-S85 PolarHBondContact O-OG 3.08Å; S85-Y89 WeakPolarHBondContact O-CB 3.49Å; S85-Y89 PolarHBondContact O-N 3.31Å; S85-Y89 VanDerWaalsContact O-N 3.13Å
86S91.2Very high86.4Confident48 Ų4874.3 Ų74.334%0.33642%0.424SS..Hα-helixtrans-65.9-45.8174.2-630000110.8L82 L83 L84 Y89 F90L82-S86 WeakPolarHBondContact O-CB 3.23Å; L82-S86 PolarHBondContact O-N 2.83Å; L82-S86 PolarHBondContact O-OG 3.28Å; L83-S86 PolarHBondContact O-N 2.78Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.49Å; S86-Y89 PolarHBondContact O-N 3.44Å; S86-F90 VanDerWaalsContact O-CB 3.28Å; S86-F90 WeakPolarHBondContact O-CB 3.29Å; S86-F90 WeakPolarHBondContact O-CD2 3.4Å; S86-F90 PolarHBondContact O-N 2.94Å
87I89.8Confident85.9Confident93 Ų9379.8 Ų79.848%0.47744%0.437SS..Hα-helixtrans-58.7-50.2177.1-73.5164.9000109.4W33 L83 L84 Y89 F90 G91W33-I87 HydrophobicContact CH2-CG2 3.49Å; W33-I87 VanDerWaalsContact CH2-CG2 3.49Å; W33-I87 WeakPolarHBondContact CH2-O 3.43Å; W33-I87 HydrophobicContact CZ2-CG2 4.48Å; W33-I87 HydrophobicContact CZ3-CG2 4.06Å; L83-I87 WeakPolarHBondContact O-CB 3.19Å; L83-I87 WeakPolarHBondContact O-CD1 3.38Å; L83-I87 WeakPolarHBondContact O-CG1 3.33Å; L83-I87 PolarHBondContact O-N 3.39Å; L84-I87 PolarHBondContact O-N 3.38Å; L84-I87 VanDerWaalsContact O-N 3.14Å; I87-Y89 VanDerWaalsContact C-N 3.26Å; I87-Y89 PolarHBondContact O-N 2.73Å; I87-F90 PolarHBondContact O-N 2.68Å; I87-G91 WeakPolarHBondContact O-CA 3.31Å; I87-G91 PolarHBondContact O-N 3.22Å
88D89Confident84.8Confident93 Ų9380.6 Ų80.650%0.49744%0.441SS..Hα-helixtrans-57.3-37.3179.8-66.9-30.2000112.9L84 P92L84-D88 PolarHBondContact O-N 3.44Å; D88-P92 WeakPolarHBondContact O-CD 3.35Å
89Y88Confident83.4Confident160 Ų16082.2 Ų82.263%0.62744%0.437SS*.Hα-helixtrans-81.4-45.6178.1179.5-100.9000113.8S85 S86 I87 G91 L93S85-Y89 WeakPolarHBondContact O-CB 3.49Å; S85-Y89 PolarHBondContact O-N 3.31Å; S85-Y89 VanDerWaalsContact O-N 3.13Å; S86-Y89 PolarHBondContact O-N 3.44Å; I87-Y89 VanDerWaalsContact C-N 3.26Å; I87-Y89 PolarHBondContact O-N 2.73Å; Y89-G91 VanDerWaalsContact C-N 3.34Å; Y89-L93 HydrophobicContact CE1-CD2 4.21Å
90F85.1Confident82.3Confident110 Ų11087.6 Ų87.648%0.48246%0.463SS..Hα-helixtrans-74.4-25.9-177.5-76.3-67.9000112.4S86 I87 L93 V94S86-F90 VanDerWaalsContact O-CB 3.28Å; S86-F90 WeakPolarHBondContact O-CB 3.29Å; S86-F90 WeakPolarHBondContact O-CD2 3.4Å; S86-F90 PolarHBondContact O-N 2.94Å; I87-F90 PolarHBondContact O-N 2.68Å; F90-L93 HydrophobicContact CD1-CD2 4.36Å; F90-L93 PolarHBondContact O-N 2.96Å; F90-V94 WeakPolarHBondContact O-CB 3.33Å; F90-V94 VanDerWaalsContact O-CG2 3.24Å; F90-V94 WeakPolarHBondContact O-CG2 3.25Å; F90-V94 PolarHBondContact O-N 2.86Å
91G81.2Confident81.6Confident3 Ų392.7 Ų92.73%0.03148%0.478CS..Hα-helixtrans-52.1-62.4-179.300000112.8L36 I87 Y89 L93 V94 L95L36-G91 WeakPolarHBondContact CD1-O 3.27Å; I87-G91 WeakPolarHBondContact O-CA 3.31Å; I87-G91 PolarHBondContact O-N 3.22Å; Y89-G91 VanDerWaalsContact C-N 3.34Å; G91-L93 VanDerWaalsContact C-N 3.3Å; G91-L93 PolarHBondContact O-N 3.28Å; G91-V94 PolarHBondContact O-N 3.18Å; G91-L95 PolarHBondContact O-N 2.89Å
92P78.8Confident80.8Confident52 Ų5296.5 Ų96.534%0.33850%0.497SS..Hα-helixtrans-62.9-33176.2-22.233000113.2D88 L95 S96D88-P92 WeakPolarHBondContact O-CD 3.35Å; P92-L95 WeakPolarHBondContact O-CB 3.36Å; P92-L95 PolarHBondContact O-N 3.43Å; P92-S96 PolarHBondContact O-N 3.39Å
93L81.6Confident79.9Confident50 Ų5093.6 Ų93.626%0.26249%0.485SS..Hα-helixtrans-69.7-40.4-178.4-169.764.3000112.2Y89 F90 G91 L95 S96 R97Y89-L93 HydrophobicContact CE1-CD2 4.21Å; F90-L93 HydrophobicContact CD1-CD2 4.36Å; F90-L93 PolarHBondContact O-N 2.96Å; G91-L93 VanDerWaalsContact C-N 3.3Å; G91-L93 PolarHBondContact O-N 3.28Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 3.34Å; L93-S96 PolarHBondContact O-N 2.92Å; L93-S96 PolarHBondContact O-OG 3.3Å; L93-R97 PolarHBondContact O-N 3.5Å
94V76.9Confident79.5Confident56 Ų5691 Ų9134%0.33948%0.476SS..Hα-helixtrans-65.2-35.4176.5172.90000110.6L36 F90 G91 S96 R97 M98L36-V94 HydrophobicContact CD2-CG1 4.07Å; F90-V94 WeakPolarHBondContact O-CB 3.33Å; F90-V94 VanDerWaalsContact O-CG2 3.24Å; F90-V94 WeakPolarHBondContact O-CG2 3.25Å; F90-V94 PolarHBondContact O-N 2.86Å; G91-V94 PolarHBondContact O-N 3.18Å; V94-S96 PolarHBondContact O-N 3.42Å; V94-R97 PolarHBondContact O-N 2.82Å; V94-M98 HydrophobicContact CG1-CG 3.68Å; V94-M98 WeakPolarHBondContact O-CB 3.49Å; V94-M98 WeakPolarHBondContact O-CG 3.5Å; V94-M98 PolarHBondContact O-N 3.04Å
95L71.8Confident79.1Confident41 Ų4195 Ų9522%0.21549%0.485CS..Hα-helixtrans-56.4-50.9174.617763.3000111.1D32 S35 G91 P92 L93 R97 M98 F99D32-L95 WeakPolarHBondContact O-CD2 3.3Å; S35-L95 WeakPolarHBondContact OG-CD1 3.27Å; G91-L95 PolarHBondContact O-N 2.89Å; P92-L95 WeakPolarHBondContact O-CB 3.36Å; P92-L95 PolarHBondContact O-N 3.43Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 3.34Å; L95-R97 PolarHBondContact O-N 3.44Å; L95-M98 PolarHBondContact O-N 3.22Å; L95-F99 HydrophobicContact CD1-CD2 4.43Å; L95-F99 PolarHBondContact O-N 3.12Å
96S73.2Confident78.8Confident79 Ų7997.8 Ų97.855%0.55249%0.49SS*.Hα-helixtrans-60-28.5-179.574.20000114.1P92 L93 V94P92-S96 PolarHBondContact O-N 3.39Å; L93-S96 PolarHBondContact O-N 2.92Å; L93-S96 PolarHBondContact O-OG 3.3Å; V94-S96 PolarHBondContact O-N 3.42Å
97R74.8Confident78.5Confident183 Ų18397.2 Ų97.269%0.69148%0.483SS*.Hα-helixtrans-92.4-37.1-177.1-69.2-175.3-178175.21.3113.7L93 V94 L95L93-R97 PolarHBondContact O-N 3.5Å; V94-R97 PolarHBondContact O-N 2.82Å; L95-R97 PolarHBondContact O-N 3.44Å
98M65.6Low78.4Confident144 Ų14497.2 Ų97.271%0.70948%0.481SS*.Hα-helixtrans-83.4-26.8-172.6-66.2-66.6-87.600112.3V94 L95 N100V94-M98 HydrophobicContact CG1-CG 3.68Å; V94-M98 WeakPolarHBondContact O-CB 3.49Å; V94-M98 WeakPolarHBondContact O-CG 3.5Å; V94-M98 PolarHBondContact O-N 3.04Å; L95-M98 PolarHBondContact O-N 3.22Å; M98-N100 PolarHBondContact O-N 2.82Å
99F62.3Low78.4Confident73 Ų7399.8 Ų99.832%0.3248%0.484SS..  trans-99.267.9-177.7-92.1-105.8000112.6S35 L95 K101 P103S35-F99 WeakPolarHBondContact OG-CD2 3.23Å; S35-F99 WeakPolarHBondContact OG-CE2 3.48Å; S35-F99 WeakPolarHBondContact OG-CG 3.42Å; S35-F99 VanDerWaalsContact OG-CZ 3.23Å; S35-F99 WeakPolarHBondContact OG-CZ 3.31Å; L95-F99 HydrophobicContact CD1-CD2 4.43Å; L95-F99 PolarHBondContact O-N 3.12Å; F99-K101 VanDerWaalsContact CD1-O 3.29Å; F99-K101 WeakPolarHBondContact CD1-O 2.98Å; F99-P103 HydrophobicContact CE1-CB 4.31Å
100N66.3Low78.2Confident150 Ų15093.8 Ų93.880%0.80246%0.464SS*.  trans-79.4-8.7156.1-74.7-6.8000112M98M98-N100 PolarHBondContact O-N 2.82Å
101K73.3Confident78.3Confident166 Ų16689.1 Ų89.172%0.72244%0.444SS*.SBendtrans-97.4135.3177.3-74.6-176162.8750109.8F99F99-K101 VanDerWaalsContact CD1-O 3.29Å; F99-K101 WeakPolarHBondContact CD1-O 2.98Å
102P76.9Confident78.8Confident114 Ų11492.1 Ų92.174%0.7445%0.454SS*.PPolyproline II helixtrans-60.9138.7171.326.9-33.3000109.6
103P74.7Confident79.2Confident58 Ų5890.3 Ų90.338%0.37744%0.441SS..PPolyproline II helixtrans-60.5137.7178.426-34.2000110.6F34 F99 H108F34-P103 HydrophobicContact CE1-CB 3.94Å; F34-P103 HydrophobicContact CZ-CB 4.33Å; F99-P103 HydrophobicContact CE1-CB 4.31Å; P103-H108 WeakPolarHBondContact CB-NE2 3.32Å; P103-H108 VanDerWaalsContact CG-NE2 3.28Å; P103-H108 WeakPolarHBondContact CG-NE2 3.41Å
104S83.1Confident79.4Confident55 Ų5589.5 Ų89.539%0.38544%0.436SS..PPolyproline II helixtrans-76.5154.9176.9-174.80000110.7E106 D107 H108S104-E106 PolarHBondContact O-N 3.26Å; S104-D107 WeakPolarHBondContact CB-OD2 3.07Å; S104-D107 PolarHBondContact N-OD2 3.13Å; S104-D107 VanDerWaalsContact N-OD2 3.13Å; S104-D107 WeakPolarHBondContact O-CB 3.19Å; S104-D107 PolarHBondContact O-N 3.3Å; S104-H108 PolarHBondContact O-CD2 3.32Å; S104-H108 PolarHBondContact O-N 2.73Å
105Y85.4Confident80Confident188 Ų18886.9 Ų86.974%0.73742%0.42SS*.Hα-helixtrans-55.4-36171.5178.3-99.8000112.1D107 H108 W109Y105-D107 VanDerWaalsContact C-N 3.34Å; Y105-D107 PolarHBondContact O-N 3.29Å; Y105-H108 PolarHBondContact O-N 2.98Å; Y105-W109 PolarHBondContact O-N 2.96Å; Y105-W109 VanDerWaalsContact O-N 3.09Å
106E85.7Confident80.8Confident138 Ų13889.4 Ų89.465%0.64543%0.427SS*.Hα-helixtrans-64.4-36.4176.7-63.8-177.5168.400112.6S104 W109 C110S104-E106 PolarHBondContact O-N 3.26Å; E106-W109 PolarHBondContact O-N 3.46Å; E106-C110 PolarHBondContact O-N 2.74Å; E106-C110 PolarHBondContact O-SG 3.4Å
107D85Confident81.4Confident35 Ų3590.3 Ų90.319%0.18742%0.418CS..Hα-helixtrans-68.7-43.9179.3-63.2-39.3000110.6F34 V38 S104 Y105 W109 C110 Y111F34-D107 HydrophobicContact CE1-CB 4.47Å; F34-D107 HydrophobicContact CZ-CB 4.09Å; V38-D107 HydrophobicContact CG1-CB 3.97Å; V38-D107 HydrophobicContact CG2-CB 4.38Å; S104-D107 WeakPolarHBondContact CB-OD2 3.07Å; S104-D107 PolarHBondContact N-OD2 3.13Å; S104-D107 VanDerWaalsContact N-OD2 3.13Å; S104-D107 WeakPolarHBondContact O-CB 3.19Å; S104-D107 PolarHBondContact O-N 3.3Å; Y105-D107 VanDerWaalsContact C-N 3.34Å; Y105-D107 PolarHBondContact O-N 3.29Å; D107-W109 VanDerWaalsContact C-N 3.3Å; D107-W109 PolarHBondContact O-N 3.1Å; D107-C110 PolarHBondContact O-N 3.49Å; D107-Y111 WeakPolarHBondContact O-CB 3.49Å; D107-Y111 PolarHBondContact O-N 2.87Å
108H87.4Confident82.1Confident94 Ų9484.9 Ų84.944%0.43540%0.402SS..Hα-helixtrans-60.4-39.7174.1-78-72.7000112.2F34 P103 S104 Y105 Y111 W112F34-H108 AromaticContact CE2-ND1 3.86Å; F34-H108 AromaticContact CZ-ND1 3.89Å; P103-H108 WeakPolarHBondContact CB-NE2 3.32Å; P103-H108 VanDerWaalsContact CG-NE2 3.28Å; P103-H108 WeakPolarHBondContact CG-NE2 3.41Å; S104-H108 PolarHBondContact O-CD2 3.32Å; S104-H108 PolarHBondContact O-N 2.73Å; Y105-H108 PolarHBondContact O-N 2.98Å; H108-Y111 PolarHBondContact O-N 3.35Å; H108-W112 WeakPolarHBondContact O-CB 3.4Å; H108-W112 PolarHBondContact O-N 3.28Å
109W88.1Confident83.2Confident147 Ų14778.2 Ų78.256%0.55737%0.37SS*.Hα-helixtrans-68.1-39.9177-173.282.3000112.5Y105 E106 D107 W112 N113Y105-W109 PolarHBondContact O-N 2.96Å; Y105-W109 VanDerWaalsContact O-N 3.09Å; E106-W109 PolarHBondContact O-N 3.46Å; D107-W109 VanDerWaalsContact C-N 3.3Å; D107-W109 PolarHBondContact O-N 3.1Å; W109-W112 PolarHBondContact O-N 2.83Å; W109-N113 VanDerWaalsContact CD2-ND2 3.32Å; W109-N113 VanDerWaalsContact CE3-ND2 3.27Å; W109-N113 WeakPolarHBondContact CH2-ND2 3.2Å; W109-N113 WeakPolarHBondContact CZ2-ND2 3.39Å; W109-N113 WeakPolarHBondContact CZ3-ND2 3.42Å; W109-N113 PolarHBondContact O-N 3.44Å; W109-N113 PolarHBondContact O-ND2 3.42Å
110C85.3Confident84.4Confident33 Ų3379.9 Ų79.922%0.22338%0.378CS..Hα-helixtrans-63-44.9174.4-69.30000111.3E106 D107 W112 N113 F114E106-C110 PolarHBondContact O-N 2.74Å; E106-C110 PolarHBondContact O-SG 3.4Å; D107-C110 PolarHBondContact O-N 3.49Å; C110-W112 VanDerWaalsContact C-N 3.33Å; C110-W112 PolarHBondContact O-N 2.77Å; C110-N113 PolarHBondContact O-N 3.19Å; C110-F114 PolarHBondContact O-N 2.78Å
111Y87.6Confident85.3Confident13 Ų1378.4 Ų78.45%0.05137%0.368CS..Hα-helixtrans-59.3-43.6174.4-179.1-116.5000111.9M27 L30 F34 I37 D107 H108 N113 F114 C115M27-Y111 WeakPolarHBondContact CA-OH 3.2Å; M27-Y111 HydrophobicContact CB-CE1 3.82Å; M27-Y111 HydrophobicContact CE-CD1 4.43Å; M27-Y111 HydrophobicContact CG-CD1 4.2Å; M27-Y111 HydrophobicContact CG-CE1 3.59Å; M27-Y111 PolarHBondContact O-OH 2.85Å; L30-Y111 HydrophobicContact CB-CE2 4.38Å; L30-Y111 WeakPolarHBondContact CB-OH 3.35Å; L30-Y111 PolarHBondContact O-OH 2.84Å; F34-Y111 AromaticContact CD2-CD1 3.47Å; F34-Y111 HydrophobicContact CD2-CD1 3.47Å; F34-Y111 VanDerWaalsContact CD2-CD1 3.47Å; F34-Y111 AromaticContact CD2-CD2 3.61Å; F34-Y111 HydrophobicContact CD2-CD2 3.61Å; F34-Y111 AromaticContact CD2-CE1 3.78Å; F34-Y111 HydrophobicContact CD2-CE1 3.78Å; F34-Y111 AromaticContact CD2-CE2 3.95Å; F34-Y111 HydrophobicContact CD2-CE2 3.95Å; F34-Y111 AromaticContact CD2-CG 3.35Å; F34-Y111 HydrophobicContact CD2-CG 3.35Å; F34-Y111 AromaticContact CE2-CD1 3.59Å; F34-Y111 HydrophobicContact CE2-CD1 3.59Å; F34-Y111 HydrophobicContact CE2-CD2 4.09Å; F34-Y111 HydrophobicContact CE2-CE1 4.34Å; F34-Y111 AromaticContact CE2-CG 3.42Å; F34-Y111 HydrophobicContact CE2-CG 3.42Å; F34-Y111 VanDerWaalsContact CE2-CG 3.42Å; I37-Y111 HydrophobicContact CD1-CE2 3.92Å; I37-Y111 HydrophobicContact CG2-CD2 4.07Å; I37-Y111 HydrophobicContact CG2-CE2 4.4Å; D107-Y111 WeakPolarHBondContact O-CB 3.49Å; D107-Y111 PolarHBondContact O-N 2.87Å; H108-Y111 PolarHBondContact O-N 3.35Å; Y111-N113 PolarHBondContact O-N 3.06Å; Y111-F114 WeakPolarHBondContact O-CB 2.83Å; Y111-F114 PolarHBondContact O-N 2.81Å; Y111-F114 VanDerWaalsContact O-N 3.12Å; Y111-C115 PolarHBondContact O-N 3.13Å
112W90Very high86.1Confident65 Ų6575.6 Ų75.625%0.24635%0.353CS..Hα-helixtrans-61-43.4177.5-176.1101000113.3E20 M27 H108 W109 C110 F114 R116E20-W112 WeakPolarHBondContact OE1-CZ2 3.4Å; M27-W112 HydrophobicContact CE-CB 3.44Å; M27-W112 VanDerWaalsContact CE-CB 3.44Å; M27-W112 HydrophobicContact CE-CG 3.43Å; M27-W112 VanDerWaalsContact CE-CG 3.43Å; H108-W112 WeakPolarHBondContact O-CB 3.4Å; H108-W112 PolarHBondContact O-N 3.28Å; W109-W112 PolarHBondContact O-N 2.83Å; C110-W112 VanDerWaalsContact C-N 3.33Å; C110-W112 PolarHBondContact O-N 2.77Å; W112-F114 VanDerWaalsContact C-N 3.33Å; W112-F114 PolarHBondContact O-N 3.32Å; W112-R116 WeakPolarHBondContact O-CB 3.47Å; W112-R116 PolarHBondContact O-N 3.14Å
113N87.2Confident86.8Confident14 Ų1473.3 Ų73.38%0.07533%0.332CS..Hα-helixtrans-63.6-38.8173.8-78-42.6000112.9W109 C110 Y111 R116 R117W109-N113 VanDerWaalsContact CD2-ND2 3.32Å; W109-N113 VanDerWaalsContact CE3-ND2 3.27Å; W109-N113 WeakPolarHBondContact CH2-ND2 3.2Å; W109-N113 WeakPolarHBondContact CZ2-ND2 3.39Å; W109-N113 WeakPolarHBondContact CZ3-ND2 3.42Å; W109-N113 PolarHBondContact O-N 3.44Å; W109-N113 PolarHBondContact O-ND2 3.42Å; C110-N113 PolarHBondContact O-N 3.19Å; Y111-N113 PolarHBondContact O-N 3.06Å; N113-R116 PolarHBondContact O-N 2.74Å; N113-R116 PolarHBondContact OD1-NH2 3.24Å; N113-R117 WeakPolarHBondContact O-CG 3.12Å; N113-R117 PolarHBondContact O-N 2.98Å
114F86.2Confident87.4Confident34 Ų3474 Ų7415%0.14934%0.335CS..Hα-helixtrans-63.3-51.6177.5179.7-95.5000111.6I37 C110 Y111 W112 R116 R117 L118I37-F114 HydrophobicContact CD1-CE1 4.42Å; I37-F114 HydrophobicContact CG1-CE1 4.36Å; I37-F114 HydrophobicContact CG2-CB 4.45Å; I37-F114 HydrophobicContact CG2-CD1 3.34Å; I37-F114 HydrophobicContact CG2-CD2 4.33Å; I37-F114 HydrophobicContact CG2-CE1 3.45Å; I37-F114 VanDerWaalsContact CG2-CE1 3.45Å; I37-F114 HydrophobicContact CG2-CE2 4.46Å; I37-F114 HydrophobicContact CG2-CG 3.8Å; I37-F114 HydrophobicContact CG2-CZ 4.05Å; C110-F114 PolarHBondContact O-N 2.78Å; Y111-F114 WeakPolarHBondContact O-CB 2.83Å; Y111-F114 PolarHBondContact O-N 2.81Å; Y111-F114 VanDerWaalsContact O-N 3.12Å; W112-F114 VanDerWaalsContact C-N 3.33Å; W112-F114 PolarHBondContact O-N 3.32Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-R116 PolarHBondContact O-N 3.33Å; F114-R117 PolarHBondContact O-N 3.39Å; F114-R117 VanDerWaalsContact O-N 3.11Å; F114-L118 HydrophobicContact CD1-CD1 3.8Å; F114-L118 HydrophobicContact CD1-CG 4.32Å; F114-L118 HydrophobicContact CE1-CD1 3.22Å; F114-L118 HydrophobicContact CE1-CG 3.94Å; F114-L118 HydrophobicContact CZ-CD1 3.73Å; F114-L118 HydrophobicContact CZ-CD2 4.37Å; F114-L118 HydrophobicContact CZ-CG 4.1Å; F114-L118 PolarHBondContact O-N 3.43Å
115C89.2Confident87.7Confident0 Ų076.4 Ų76.40%034%0.343CS..Hα-helixtrans-59.3-41.9176.6-67.50000111.8I23 L26 M27 Y111 R117 L118 V119I23-C115 HydrophobicContact CG2-CB 4.02Å; L26-C115 HydrophobicContact CD2-CB 4.29Å; M27-C115 HydrophobicContact CE-CB 4.01Å; M27-C115 HydrophobicContact CG-CB 3.99Å; Y111-C115 PolarHBondContact O-N 3.13Å; C115-R117 PolarHBondContact O-N 3.28Å; C115-L118 PolarHBondContact O-N 2.95Å; C115-V119 WeakPolarHBondContact O-CG2 3.47Å; C115-V119 PolarHBondContact O-N 2.92Å
116R89.2Confident88Confident94 Ų9471.1 Ų71.136%0.35533%0.327SS..Hα-helixtrans-58.8-44174.3-177.8173.265.7160.8-3.1112.6I23 W112 N113 F114 H120I23-R116 HydrophobicContact CD1-CB 3.85Å; I23-R116 HydrophobicContact CD1-CG 3.76Å; I23-R116 HydrophobicContact CG1-CB 4.42Å; W112-R116 WeakPolarHBondContact O-CB 3.47Å; W112-R116 PolarHBondContact O-N 3.14Å; N113-R116 PolarHBondContact O-N 2.74Å; N113-R116 PolarHBondContact OD1-NH2 3.24Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-R116 PolarHBondContact O-N 3.33Å; R116-H120 WeakPolarHBondContact O-CB 3.17Å; R116-H120 PolarHBondContact O-N 3.44Å
117R86Confident88.4Confident99 Ų9969.5 Ų69.537%0.37432%0.323SS..Hα-helixtrans-64.4-41.7176.3-73.5-175-53-124.13.8111.5E41 N113 F114 C115 H120 M121E41-R117 IonicContact OE1-CZ 2.79Å; E41-R117 IonicContact OE1-NH1 2.7Å; E41-R117 PolarHBondContact OE1-NH1 3.2Å; E41-R117 IonicContact OE1-NH2 3.38Å; E41-R117 PolarHBondContact OE1-NH2 3.21Å; E41-R117 IonicContact OE2-NH2 3.95Å; E41-R117 PolarHBondContact OE2-NH2 2.84Å; N113-R117 WeakPolarHBondContact O-CG 3.12Å; N113-R117 PolarHBondContact O-N 2.98Å; F114-R117 PolarHBondContact O-N 3.39Å; F114-R117 VanDerWaalsContact O-N 3.11Å; C115-R117 PolarHBondContact O-N 3.28Å; R117-H120 PolarHBondContact O-N 2.99Å; R117-M121 WeakPolarHBondContact O-CB 3.4Å; R117-M121 VanDerWaalsContact O-CG 3.23Å; R117-M121 WeakPolarHBondContact O-CG 3.41Å; R117-M121 PolarHBondContact O-N 3.27Å
118L88.5Confident88.7Confident68 Ų6873.9 Ų73.936%0.35634%0.34SS..Hα-helixtrans-61.8-47.1176.7-76.4179.9000112.4L26 L30 F114 C115 H120 M121 R122L26-L118 HydrophobicContact CD2-CB 3.92Å; L26-L118 HydrophobicContact CD2-CD1 4.3Å; L30-L118 HydrophobicContact CD2-CD1 4.21Å; F114-L118 HydrophobicContact CD1-CD1 3.8Å; F114-L118 HydrophobicContact CD1-CG 4.32Å; F114-L118 HydrophobicContact CE1-CD1 3.22Å; F114-L118 HydrophobicContact CE1-CG 3.94Å; F114-L118 HydrophobicContact CZ-CD1 3.73Å; F114-L118 HydrophobicContact CZ-CD2 4.37Å; F114-L118 HydrophobicContact CZ-CG 4.1Å; F114-L118 PolarHBondContact O-N 3.43Å; C115-L118 PolarHBondContact O-N 2.95Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 2.78Å; L118-M121 PolarHBondContact O-N 3.47Å; L118-R122 WeakPolarHBondContact O-CB 3.31Å; L118-R122 PolarHBondContact O-N 2.88Å
119V90.1Very high88.9Confident5 Ų573.2 Ų73.23%0.0334%0.34CS..Hα-helixtrans-59.9-43.4176.2171.60000110.6E22 I23 L26 C115 R122 H123E22-V119 HydrophobicContact CB-CG1 4.17Å; E22-V119 WeakPolarHBondContact OE2-CG1 3.46Å; I23-V119 HydrophobicContact CG1-CB 4.11Å; I23-V119 HydrophobicContact CG1-CG1 4.33Å; I23-V119 HydrophobicContact CG1-CG2 3.9Å; L26-V119 HydrophobicContact CB-CG2 4.35Å; L26-V119 HydrophobicContact CD2-CG2 3.66Å; C115-V119 WeakPolarHBondContact O-CG2 3.47Å; C115-V119 PolarHBondContact O-N 2.92Å; V119-R122 WeakPolarHBondContact O-CB 3.23Å; V119-R122 PolarHBondContact O-N 3.2Å; V119-H123 PolarHBondContact O-CD2 2.88Å; V119-H123 PolarHBondContact O-N 3.42Å
120H87.5Confident89.2Confident108 Ų10869.7 Ų69.750%0.533%0.334SS..Hα-helixtrans-62.1-45.8176.2-171.666.8000112.4R116 R117 L118 R122 H123 V124R116-H120 WeakPolarHBondContact O-CB 3.17Å; R116-H120 PolarHBondContact O-N 3.44Å; R117-H120 PolarHBondContact O-N 2.99Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 2.78Å; H120-R122 VanDerWaalsContact C-N 3.3Å; H120-R122 PolarHBondContact O-N 2.9Å; H120-H123 PolarHBondContact O-N 3.3Å; H120-V124 WeakPolarHBondContact O-CG2 3.26Å; H120-V124 PolarHBondContact O-N 3.03Å
121M85.5Confident89.4Confident119 Ų11974 Ų7459%0.58635%0.349SS*.Hα-helixtrans-60.9-40.1176.5-71.7-67.3-81.500111.6R117 L118 V124 L125R117-M121 WeakPolarHBondContact O-CB 3.4Å; R117-M121 VanDerWaalsContact O-CG 3.23Å; R117-M121 WeakPolarHBondContact O-CG 3.41Å; R117-M121 PolarHBondContact O-N 3.27Å; L118-M121 PolarHBondContact O-N 3.47Å; M121-V124 PolarHBondContact O-N 3.23Å; M121-L125 VanDerWaalsContact O-CB 3.31Å; M121-L125 WeakPolarHBondContact O-CB 3.49Å; M121-L125 PolarHBondContact O-N 3.5Å
122R90.1Very high89.4Confident107 Ų10775.5 Ų75.540%0.40436%0.36SS..Hα-helixtrans-58.7-49173.7-178179.272.7178.72111.2E22 L118 V119 H120 V124 L125 I126E22-R122 IonicContact OE2-CZ 3.01Å; E22-R122 IonicContact OE2-NH2 3.48Å; E22-R122 PolarHBondContact OE2-NH2 2.78Å; L118-R122 WeakPolarHBondContact O-CB 3.31Å; L118-R122 PolarHBondContact O-N 2.88Å; V119-R122 WeakPolarHBondContact O-CB 3.23Å; V119-R122 PolarHBondContact O-N 3.2Å; H120-R122 VanDerWaalsContact C-N 3.3Å; H120-R122 PolarHBondContact O-N 2.9Å; R122-V124 PolarHBondContact O-N 3Å; R122-L125 PolarHBondContact O-N 3.43Å; R122-I126 HydrophobicContact CG-CD1 3.77Å; R122-I126 HydrophobicContact CG-CG1 4.45Å; R122-I126 WeakPolarHBondContact O-CB 2.95Å; R122-I126 VanDerWaalsContact O-CG1 3.28Å; R122-I126 WeakPolarHBondContact O-CG1 3.48Å; R122-I126 PolarHBondContact O-N 3.44Å
123H90.6Very high89.3Confident65 Ų6578.2 Ų78.230%0.30138%0.375SS..Hα-helixtrans-62.2-42.4177.2-79.3-60.6000112.8E22 V119 H120 L125 I126 N127E22-H123 IonicContact OE1-CE1 2.67Å; E22-H123 IonicContact OE1-NE2 3.45Å; E22-H123 PolarHBondContact OE1-NE2 3.22Å; E22-H123 IonicContact OE2-CD2 3.56Å; E22-H123 IonicContact OE2-CE1 3.49Å; E22-H123 PolarHBondContact OE2-CE1 3.04Å; E22-H123 IonicContact OE2-NE2 3.79Å; E22-H123 PolarHBondContact OE2-NE2 3.31Å; V119-H123 PolarHBondContact O-CD2 2.88Å; V119-H123 PolarHBondContact O-N 3.42Å; H120-H123 PolarHBondContact O-N 3.3Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L125 PolarHBondContact O-N 3.05Å; H123-I126 PolarHBondContact O-N 2.99Å; H123-N127 VanDerWaalsContact O-CB 3.23Å; H123-N127 WeakPolarHBondContact O-CB 3.48Å; H123-N127 PolarHBondContact O-N 2.78Å; H123-N127 PolarHBondContact O-ND2 2.79Å
124V87.6Confident89.5Confident74 Ų7485.8 Ų85.845%0.44840%0.402SS..Hα-helixtrans-61.3-43.6175.7171.40000110.6H120 M121 R122 N127 F128H120-V124 WeakPolarHBondContact O-CG2 3.26Å; H120-V124 PolarHBondContact O-N 3.03Å; M121-V124 PolarHBondContact O-N 3.23Å; R122-V124 PolarHBondContact O-N 3Å; V124-N127 PolarHBondContact O-N 2.81Å; V124-F128 VanDerWaalsContact O-CB 3.25Å; V124-F128 WeakPolarHBondContact O-CB 3.1Å; V124-F128 PolarHBondContact O-N 2.74Å
125L89Confident89.5Confident105 Ų10585.8 Ų85.855%0.5541%0.405SS..Hα-helixtrans-65.9-45.8178.6-172.7149.8000111.6M121 R122 H123 F128 L129M121-L125 VanDerWaalsContact O-CB 3.31Å; M121-L125 WeakPolarHBondContact O-CB 3.49Å; M121-L125 PolarHBondContact O-N 3.5Å; R122-L125 PolarHBondContact O-N 3.43Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L125 PolarHBondContact O-N 3.05Å; L125-F128 WeakPolarHBondContact O-CB 3.28Å; L125-F128 PolarHBondContact O-N 3.32Å; L125-L129 HydrophobicContact CD2-CD1 3.56Å; L125-L129 HydrophobicContact CD2-CG 4.09Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 2.91Å
126I92.9Very high89.4Confident76 Ų7693.3 Ų93.339%0.3943%0.433SS..Hα-helixtrans-61.1-47.6176.3-68.9167.6000110.3R122 H123 F128 L129 V130R122-I126 HydrophobicContact CG-CD1 3.77Å; R122-I126 HydrophobicContact CG-CG1 4.45Å; R122-I126 WeakPolarHBondContact O-CB 2.95Å; R122-I126 VanDerWaalsContact O-CG1 3.28Å; R122-I126 WeakPolarHBondContact O-CG1 3.48Å; R122-I126 PolarHBondContact O-N 3.44Å; H123-I126 PolarHBondContact O-N 2.99Å; I126-F128 VanDerWaalsContact C-N 3.28Å; I126-F128 PolarHBondContact O-N 2.93Å; I126-L129 PolarHBondContact O-N 2.77Å; I126-V130 HydrophobicContact CG2-CG2 4.36Å; I126-V130 WeakPolarHBondContact O-CG2 3.04Å; I126-V130 PolarHBondContact O-N 3.3Å
127N93.1Very high89.3Confident104 Ų10499 Ų9956%0.55646%0.457SS*.Hα-helixtrans-61.4-38.8177.6-74.5-24.2000111.8H123 V124 V130 F131H123-N127 VanDerWaalsContact O-CB 3.23Å; H123-N127 WeakPolarHBondContact O-CB 3.48Å; H123-N127 PolarHBondContact O-N 2.78Å; H123-N127 PolarHBondContact O-ND2 2.79Å; V124-N127 PolarHBondContact O-N 2.81Å; N127-V130 PolarHBondContact O-N 3.28Å; N127-F131 VanDerWaalsContact O-CB 3.28Å; N127-F131 WeakPolarHBondContact O-CB 3.43Å; N127-F131 PolarHBondContact O-N 3.09Å
128F90.8Very high89.4Confident128 Ų128103 Ų10356%0.56147%0.471SS*.Hα-helixtrans-64.5-45.7174.2-179.3-100.9000111.6V124 L125 I126 V130 F131 V132V124-F128 VanDerWaalsContact O-CB 3.25Å; V124-F128 WeakPolarHBondContact O-CB 3.1Å; V124-F128 PolarHBondContact O-N 2.74Å; L125-F128 WeakPolarHBondContact O-CB 3.28Å; L125-F128 PolarHBondContact O-N 3.32Å; I126-F128 VanDerWaalsContact C-N 3.28Å; I126-F128 PolarHBondContact O-N 2.93Å; F128-V130 PolarHBondContact O-N 3.15Å; F128-F131 WeakPolarHBondContact O-CB 3.35Å; F128-F131 PolarHBondContact O-N 3.24Å; F128-V132 HydrophobicContact CD1-CG2 4.25Å; F128-V132 HydrophobicContact CE1-CG2 3.85Å; F128-V132 HydrophobicContact CE2-CG2 4.36Å; F128-V132 HydrophobicContact CZ-CG2 3.91Å; F128-V132 WeakPolarHBondContact O-CG2 3.44Å; F128-V132 PolarHBondContact O-N 3.37Å
129L92.4Very high89.3Confident80 Ų80103.1 Ų103.142%0.41947%0.473SS..Hα-helixtrans-60.9-45.7175.2-71.2178.7000111.3L125 I126 F131 V132 H133L125-L129 HydrophobicContact CD2-CD1 3.56Å; L125-L129 HydrophobicContact CD2-CG 4.09Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 2.91Å; I126-L129 PolarHBondContact O-N 2.77Å; L129-F131 VanDerWaalsContact C-N 3.29Å; L129-F131 PolarHBondContact O-N 3.45Å; L129-V132 PolarHBondContact O-N 2.85Å; L129-H133 PolarHBondContact O-N 3.49Å; L129-H133 PolarHBondContact O-ND1 2.84Å
130V93.6Very high89.2Confident72 Ų72106 Ų10644%0.43650%0.497SS..Hα-helixtrans-61.3-39.5175.7170.80000111I126 N127 F128 H133 R134I126-V130 HydrophobicContact CG2-CG2 4.36Å; I126-V130 WeakPolarHBondContact O-CG2 3.04Å; I126-V130 PolarHBondContact O-N 3.3Å; N127-V130 PolarHBondContact O-N 3.28Å; F128-V130 PolarHBondContact O-N 3.15Å; V130-H133 PolarHBondContact O-N 3.49Å; V130-R134 VanDerWaalsContact O-CB 3.29Å; V130-R134 WeakPolarHBondContact O-CB 3.5Å; V130-R134 PolarHBondContact O-N 3.37Å
131F89.9Confident89.2Confident124 Ų124105.9 Ų105.954%0.54450%0.504SS..Hα-helixtrans-61.8-47.5174.4174.1-97.1000111.6N127 F128 L129 H133 R134 V135N127-F131 VanDerWaalsContact O-CB 3.28Å; N127-F131 WeakPolarHBondContact O-CB 3.43Å; N127-F131 PolarHBondContact O-N 3.09Å; F128-F131 WeakPolarHBondContact O-CB 3.35Å; F128-F131 PolarHBondContact O-N 3.24Å; L129-F131 VanDerWaalsContact C-N 3.29Å; L129-F131 PolarHBondContact O-N 3.45Å; F131-H133 PolarHBondContact O-N 3.42Å; F131-R134 WeakPolarHBondContact O-CB 3.35Å; F131-R134 PolarHBondContact O-N 3.3Å; F131-V135 HydrophobicContact CD1-CG2 4.36Å; F131-V135 HydrophobicContact CE1-CG2 3.95Å; F131-V135 HydrophobicContact CE2-CG2 4.18Å; F131-V135 HydrophobicContact CZ-CG2 3.85Å; F131-V135 WeakPolarHBondContact O-CG2 3.41Å; F131-V135 PolarHBondContact O-N 3.21Å
132V87.8Confident89.4Confident45 Ų45104.4 Ų104.427%0.27350%0.498SS..Hα-helixtrans-59.4-46.3176171.90000110.9F128 L129 R134 V135 R136F128-V132 HydrophobicContact CD1-CG2 4.25Å; F128-V132 HydrophobicContact CE1-CG2 3.85Å; F128-V132 HydrophobicContact CE2-CG2 4.36Å; F128-V132 HydrophobicContact CZ-CG2 3.91Å; F128-V132 WeakPolarHBondContact O-CG2 3.44Å; F128-V132 PolarHBondContact O-N 3.37Å; L129-V132 PolarHBondContact O-N 2.85Å; V132-R134 VanDerWaalsContact C-N 3.34Å; V132-R134 PolarHBondContact O-N 2.82Å; V132-V135 PolarHBondContact O-N 3.38Å; V132-R136 PolarHBondContact O-N 2.83Å
133H89.1Confident89.3Confident121 Ų121101 Ų10156%0.5649%0.487SS*.Hα-helixtrans-61.3-41175.9-75.788.9000112.2L129 V130 F131 R136 Y137L129-H133 PolarHBondContact O-N 3.49Å; L129-H133 PolarHBondContact O-ND1 2.84Å; V130-H133 PolarHBondContact O-N 3.49Å; F131-H133 PolarHBondContact O-N 3.42Å; H133-R136 WeakPolarHBondContact O-CB 3.49Å; H133-R136 PolarHBondContact O-N 3.19Å; H133-Y137 PolarHBondContact O-N 2.85Å
134R90Very high89.3Confident173 Ų173104.8 Ų104.865%0.65350%0.502SS*.Hα-helixtrans-64.4-40.8176.6-174.5-175.5-65.3-170.3-0.9112V130 F131 V132 R136 Y137 R138V130-R134 VanDerWaalsContact O-CB 3.29Å; V130-R134 WeakPolarHBondContact O-CB 3.5Å; V130-R134 PolarHBondContact O-N 3.37Å; F131-R134 WeakPolarHBondContact O-CB 3.35Å; F131-R134 PolarHBondContact O-N 3.3Å; V132-R134 VanDerWaalsContact C-N 3.34Å; V132-R134 PolarHBondContact O-N 2.82Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-Y137 PolarHBondContact O-N 3.21Å; R134-R138 WeakPolarHBondContact O-CB 3.4Å; R134-R138 PolarHBondContact O-N 3.49Å
135V86.5Confident89.5Confident34 Ų34106.2 Ų106.221%0.20651%0.507CS..Hα-helixtrans-62.9-42.3175.4172.20000110.4F131 V132 R138 N139 H143F131-V135 HydrophobicContact CD1-CG2 4.36Å; F131-V135 HydrophobicContact CE1-CG2 3.95Å; F131-V135 HydrophobicContact CE2-CG2 4.18Å; F131-V135 HydrophobicContact CZ-CG2 3.85Å; F131-V135 WeakPolarHBondContact O-CG2 3.41Å; F131-V135 PolarHBondContact O-N 3.21Å; V132-V135 PolarHBondContact O-N 3.38Å; V135-R138 PolarHBondContact O-N 2.96Å; V135-N139 CarbonylContact O-C 3.6Å; V135-N139 PolarHBondContact O-N 2.83Å; V135-H143 HydrophobicContact CG1-CB 4.3Å
136R88.3Confident89.6Confident158 Ų158104.9 Ų104.960%0.59650%0.503SS*.Hα-helixtrans-60.3-44.4175.7-172.9177.4176162.9-0.3112.6V132 H133 R134 A140 H143V132-R136 PolarHBondContact O-N 2.83Å; H133-R136 WeakPolarHBondContact O-CB 3.49Å; H133-R136 PolarHBondContact O-N 3.19Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R136-A140 PolarHBondContact O-N 3.25Å; R136-H143 HydrophobicContact CB-CB 4.33Å
137Y87.1Confident89.5Confident215 Ų215102.9 Ų102.984%0.84350%0.496SS*.Hα-helixtrans-68-42.8178.3-176.7-98.7000112.3H133 R134H133-Y137 PolarHBondContact O-N 2.85Å; R134-Y137 PolarHBondContact O-N 3.21Å
138R87Confident89.4Confident182 Ų182100.9 Ų100.969%0.68749%0.49SS*.Hα-helixtrans-69.4-51-176.8-169.217673.5179.52.4112.1R134 V135R134-R138 WeakPolarHBondContact O-CB 3.4Å; R134-R138 PolarHBondContact O-N 3.49Å; V135-R138 PolarHBondContact O-N 2.96Å
139N87Confident89.5Confident71 Ų7198 Ų9838%0.3849%0.485SS..  trans-142.187.6-175.7-70-24.7000110.1V135 T141 L142 H143V135-N139 CarbonylContact O-C 3.6Å; V135-N139 PolarHBondContact O-N 2.83Å; N139-T141 PolarHBondContact O-N 2.85Å; N139-L142 HydrophobicContact CB-CB 4.07Å; N139-L142 HydrophobicContact CB-CD1 3.9Å; N139-L142 HydrophobicContact CB-CG 3.97Å; N139-L142 WeakPolarHBondContact ND2-CD1 3.25Å; N139-L142 PolarHBondContact O-N 3.42Å; N139-L142 VanDerWaalsContact O-N 3.12Å; N139-H143 PolarHBondContact O-N 2.85Å
140A87.7Confident89.5Confident65 Ų6599.3 Ų99.354%0.53749%0.493SS..Hα-helixtrans-54.3-36.817900000112.8R136 L142 H143 F144R136-A140 PolarHBondContact O-N 3.25Å; A140-L142 PolarHBondContact O-N 3.43Å; A140-H143 PolarHBondContact O-N 3.35Å; A140-F144 WeakPolarHBondContact O-CB 3.3Å; A140-F144 PolarHBondContact O-N 3.31Å
141T88.3Confident89.3Confident105 Ų105101.9 Ų101.964%0.64450%0.503SS*.Hα-helixtrans-62.3-43.5178.3-43.30000112.7N139 F144 L145N139-T141 PolarHBondContact O-N 2.85Å; T141-F144 PolarHBondContact O-N 2.88Å; T141-L145 HydrophobicContact CG2-CD1 4.35Å; T141-L145 WeakPolarHBondContact O-CG 3.49Å; T141-L145 PolarHBondContact O-N 3.49Å
142L88.1Confident89.5Confident89 Ų89100.1 Ų100.147%0.46651%0.505SS..Hα-helixtrans-66.9-42178.1-68.6-178.7000110.9N139 A140 F144 L145 T146N139-L142 HydrophobicContact CB-CB 4.07Å; N139-L142 HydrophobicContact CB-CD1 3.9Å; N139-L142 HydrophobicContact CB-CG 3.97Å; N139-L142 WeakPolarHBondContact ND2-CD1 3.25Å; N139-L142 PolarHBondContact O-N 3.42Å; N139-L142 VanDerWaalsContact O-N 3.12Å; A140-L142 PolarHBondContact O-N 3.43Å; L142-F144 VanDerWaalsContact C-N 3.31Å; L142-F144 PolarHBondContact O-N 3.48Å; L142-L145 PolarHBondContact O-N 3.36Å; L142-T146 WeakPolarHBondContact O-CG2 3.49Å; L142-T146 PolarHBondContact O-N 3.26Å; L142-T146 PolarHBondContact O-OG1 2.86Å
143H87.9Confident89.7Confident36 Ų36102.8 Ų102.817%0.16752%0.517CS..Hα-helixtrans-60.7-41.4175.7-179.2-79.3000111.9V135 R136 N139 A140 T146 S147V135-H143 HydrophobicContact CG1-CB 4.3Å; R136-H143 HydrophobicContact CB-CB 4.33Å; N139-H143 PolarHBondContact O-N 2.85Å; A140-H143 PolarHBondContact O-N 3.35Å; H143-T146 PolarHBondContact O-OG1 3.44Å; H143-T146 VanDerWaalsContact O-OG1 3.11Å; H143-S147 PolarHBondContact CE1-OG 3.26Å; H143-S147 VanDerWaalsContact CE1-OG 3.28Å; H143-S147 WeakPolarHBondContact O-CB 3.14Å; H143-S147 PolarHBondContact O-N 3.48Å; H143-S147 PolarHBondContact O-OG 3.49Å
144F90.6Very high89.6Confident143 Ų143101.4 Ų101.463%0.62752%0.517SS*.Hα-helixtrans-64.8-45.8176.9-178.4-101.4000111.7A140 T141 L142 S148A140-F144 WeakPolarHBondContact O-CB 3.3Å; A140-F144 PolarHBondContact O-N 3.31Å; T141-F144 PolarHBondContact O-N 2.88Å; L142-F144 VanDerWaalsContact C-N 3.31Å; L142-F144 PolarHBondContact O-N 3.48Å; F144-S148 WeakPolarHBondContact O-CB 3.26Å; F144-S148 PolarHBondContact O-N 2.74Å
145L92.4Very high89.5Confident105 Ų10594.9 Ų94.955%0.5550%0.503SS..Hα-helixtrans-62.9-45.5177.8-73.5169.7000112.2T141 L142 S149T141-L145 HydrophobicContact CG2-CD1 4.35Å; T141-L145 WeakPolarHBondContact O-CG 3.49Å; T141-L145 PolarHBondContact O-N 3.49Å; L142-L145 PolarHBondContact O-N 3.36Å; L145-S149 WeakPolarHBondContact O-CB 3.03Å; L145-S149 PolarHBondContact O-N 3.16Å
146T90.7Very high89.6Confident76 Ų7699.3 Ų99.347%0.46652%0.52SS..Hα-helixtrans-66.8-45.6178.554.80000111.5L142 H143 S149 L150L142-T146 WeakPolarHBondContact O-CG2 3.49Å; L142-T146 PolarHBondContact O-N 3.26Å; L142-T146 PolarHBondContact O-OG1 2.86Å; H143-T146 PolarHBondContact O-OG1 3.44Å; H143-T146 VanDerWaalsContact O-OG1 3.11Å; T146-S149 PolarHBondContact O-N 2.81Å; T146-L150 WeakPolarHBondContact O-CB 3.46Å; T146-L150 VanDerWaalsContact O-CG 3.23Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 3.34Å
147S90.3Very high89.4Confident34 Ų3494.9 Ų94.924%0.23851%0.511CS..Hα-helixtrans-63.1-45178.1-56.90000111.2H143 S149 L150 L151H143-S147 PolarHBondContact CE1-OG 3.26Å; H143-S147 VanDerWaalsContact CE1-OG 3.28Å; H143-S147 WeakPolarHBondContact O-CB 3.14Å; H143-S147 PolarHBondContact O-N 3.48Å; H143-S147 PolarHBondContact O-OG 3.49Å; S147-S149 PolarHBondContact O-N 2.81Å; S147-L150 PolarHBondContact O-N 2.86Å; S147-L151 WeakPolarHBondContact O-CB 3.48Å; S147-L151 WeakPolarHBondContact O-CD1 3.2Å; S147-L151 PolarHBondContact O-N 3.28Å
148S91.9Very high89.2Confident62 Ų6285.9 Ų85.943%0.43448%0.483SS..Hα-helixtrans-61.4-45177.1-177.50000111.8F144 L150 L151 C152F144-S148 WeakPolarHBondContact O-CB 3.26Å; F144-S148 PolarHBondContact O-N 2.74Å; S148-L150 PolarHBondContact O-N 3.25Å; S148-L151 PolarHBondContact O-N 3.44Å; S148-C152 VanDerWaalsContact O-CB 3.3Å; S148-C152 WeakPolarHBondContact O-CB 3.43Å; S148-C152 PolarHBondContact O-N 3.47Å
149S93.5Very high89Confident67 Ų6784.2 Ų84.247%0.46949%0.486SS..Hα-helixtrans-62.1-41.6175.4-175.90000112.2L145 T146 S147 C152 I153L145-S149 WeakPolarHBondContact O-CB 3.03Å; L145-S149 PolarHBondContact O-N 3.16Å; T146-S149 PolarHBondContact O-N 2.81Å; S147-S149 PolarHBondContact O-N 2.81Å; S149-C152 PolarHBondContact O-N 3.01Å; S149-I153 VanDerWaalsContact O-CG1 3.3Å; S149-I153 WeakPolarHBondContact O-CG1 3.46Å; S149-I153 PolarHBondContact O-N 2.82Å
150L91.5Very high88.8Confident109 Ų10987.1 Ų87.157%0.57150%0.497SS*.Hα-helixtrans-65.4-45.3177.3-72.7169.7000111.3T146 S147 S148 C152 I153 V154T146-L150 WeakPolarHBondContact O-CB 3.46Å; T146-L150 VanDerWaalsContact O-CG 3.23Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 3.34Å; S147-L150 PolarHBondContact O-N 2.86Å; S148-L150 PolarHBondContact O-N 3.25Å; L150-C152 VanDerWaalsContact C-N 3.3Å; L150-C152 PolarHBondContact O-N 3.45Å; L150-I153 PolarHBondContact O-N 2.77Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.25Å
151L90.6Very high88.5Confident125 Ų12586 Ų8665%0.65448%0.484SS*.Hα-helixtrans-62.8-37.6176.1-93.169.9000111.6S147 S148 V154 G155S147-L151 WeakPolarHBondContact O-CB 3.48Å; S147-L151 WeakPolarHBondContact O-CD1 3.2Å; S147-L151 PolarHBondContact O-N 3.28Å; S148-L151 PolarHBondContact O-N 3.44Å; L151-V154 PolarHBondContact O-N 3.34Å; L151-G155 PolarHBondContact O-N 2.97Å
152C93.4Very high88.1Confident88 Ų8884.3 Ų84.360%0.59548%0.476SS*.Hα-helixtrans-63.9-43.3175.6-172.20000111.6S148 S149 L150 G155 F156S148-C152 VanDerWaalsContact O-CB 3.3Å; S148-C152 WeakPolarHBondContact O-CB 3.43Å; S148-C152 PolarHBondContact O-N 3.47Å; S149-C152 PolarHBondContact O-N 3.01Å; L150-C152 VanDerWaalsContact C-N 3.3Å; L150-C152 PolarHBondContact O-N 3.45Å; C152-G155 PolarHBondContact O-N 2.67Å; C152-F156 VanDerWaalsContact O-CB 3.28Å; C152-F156 WeakPolarHBondContact O-CB 3.17Å; C152-F156 PolarHBondContact O-N 2.72Å
153I91.1Very high87.5Confident100 Ų10086.6 Ų86.651%0.51349%0.489SS..Hα-helixtrans-62.7-46.4174.9-65.9162.4000110.5S149 L150 G155 F156 V157S149-I153 VanDerWaalsContact O-CG1 3.3Å; S149-I153 WeakPolarHBondContact O-CG1 3.46Å; S149-I153 PolarHBondContact O-N 2.82Å; L150-I153 PolarHBondContact O-N 2.77Å; I153-G155 PolarHBondContact O-N 3.5Å; I153-F156 PolarHBondContact O-N 3.35Å; I153-V157 VanDerWaalsContact O-CG2 3.31Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 3.44Å
154V86.8Confident87Confident93 Ų9387 Ų8756%0.56449%0.492SS*.Hα-helixtrans-62.8-42.7178.2173.40000111.1L150 L151 V157 G158L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.25Å; L151-V154 PolarHBondContact O-N 3.34Å; V154-V157 PolarHBondContact O-N 3.32Å; V154-G158 PolarHBondContact O-N 3.37Å
155G88Confident86.5Confident35 Ų3582.2 Ų82.236%0.36148%0.476SS..Hα-helixtrans-65.1-39.7176.200000112.6L151 C152 I153 G158 I159L151-G155 PolarHBondContact O-N 2.97Å; C152-G155 PolarHBondContact O-N 2.67Å; I153-G155 PolarHBondContact O-N 3.5Å; G155-G158 PolarHBondContact O-N 3.18Å; G155-I159 WeakPolarHBondContact O-CG1 3.33Å; G155-I159 PolarHBondContact O-N 3.47Å
156F89.1Confident85.9Confident127 Ų12780.3 Ų80.356%0.55747%0.466SS*.Hα-helixtrans-62.8-45.3174.3-176.5-99.4000111.6C152 I153 G158 I159 H160C152-F156 VanDerWaalsContact O-CB 3.28Å; C152-F156 WeakPolarHBondContact O-CB 3.17Å; C152-F156 PolarHBondContact O-N 2.72Å; I153-F156 PolarHBondContact O-N 3.35Å; F156-G158 VanDerWaalsContact C-N 3.31Å; F156-G158 PolarHBondContact O-N 3.28Å; F156-I159 PolarHBondContact O-N 3.06Å; F156-H160 AromaticContact CD1-CD2 3.86Å; F156-H160 AromaticContact CD2-CD2 3.84Å; F156-H160 AromaticContact CD2-NE2 3.98Å; F156-H160 AromaticContact CE1-CD2 3.48Å; F156-H160 VanDerWaalsContact CE1-CD2 3.48Å; F156-H160 WeakPolarHBondContact CE1-CD2 3.41Å; F156-H160 AromaticContact CE1-NE2 3.82Å; F156-H160 AromaticContact CE2-CD2 3.47Å; F156-H160 VanDerWaalsContact CE2-CD2 3.47Å; F156-H160 WeakPolarHBondContact CE2-CD2 3.43Å; F156-H160 AromaticContact CE2-NE2 3.2Å; F156-H160 WeakPolarHBondContact CE2-NE2 3.28Å; F156-H160 AromaticContact CZ-CD2 3.27Å; F156-H160 WeakPolarHBondContact CZ-CD2 3.31Å; F156-H160 AromaticContact CZ-NE2 3.1Å; F156-H160 WeakPolarHBondContact CZ-NE2 3.23Å; F156-H160 PolarHBondContact O-CD2 3.47Å; F156-H160 VanDerWaalsContact O-CD2 3.31Å; F156-H160 PolarHBondContact O-N 2.91Å; F156-H160 VanDerWaalsContact O-N 3.15Å
157V85.2Confident85.5Confident66 Ų6680.1 Ų80.140%0.447%0.465SS..Hα-helixtrans-61.3-41.6173.7173.70000110.5I153 V154 I159 H160 T161I153-V157 VanDerWaalsContact O-CG2 3.31Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 3.44Å; V154-V157 PolarHBondContact O-N 3.32Å; V157-I159 PolarHBondContact O-N 3.07Å; V157-H160 PolarHBondContact O-N 3.11Å; V157-T161 HydrophobicContact CG1-CG2 4.22Å; V157-T161 WeakPolarHBondContact O-CB 3.34Å; V157-T161 WeakPolarHBondContact O-CG2 3.29Å; V157-T161 PolarHBondContact O-N 3.01Å; V157-T161 PolarHBondContact O-OG1 2.92Å
158G82.1Confident85.2Confident26 Ų2680.9 Ų80.927%0.26846%0.463SS..Hα-helixtrans-64.9-34.7177.900000114.4V154 G155 F156V154-G158 PolarHBondContact O-N 3.37Å; G155-G158 PolarHBondContact O-N 3.18Å; F156-G158 VanDerWaalsContact C-N 3.31Å; F156-G158 PolarHBondContact O-N 3.28Å
159I83.8Confident84.8Confident147 Ų14782 Ų8275%0.75446%0.463SS*.Hα-helixtrans-72.2-35.7174.8-67.9165.1000111.2G155 F156 V157G155-I159 WeakPolarHBondContact O-CG1 3.33Å; G155-I159 PolarHBondContact O-N 3.47Å; F156-I159 PolarHBondContact O-N 3.06Å; V157-I159 PolarHBondContact O-N 3.07Å
160H81.5Confident84.3Confident132 Ų13283.6 Ų83.661%0.61147%0.466SS*.Hα-helixtrans-84-21.4-177.1-83.5-66.8000114.4F156 V157F156-H160 AromaticContact CD1-CD2 3.86Å; F156-H160 AromaticContact CD2-CD2 3.84Å; F156-H160 AromaticContact CD2-NE2 3.98Å; F156-H160 AromaticContact CE1-CD2 3.48Å; F156-H160 VanDerWaalsContact CE1-CD2 3.48Å; F156-H160 WeakPolarHBondContact CE1-CD2 3.41Å; F156-H160 AromaticContact CE1-NE2 3.82Å; F156-H160 AromaticContact CE2-CD2 3.47Å; F156-H160 VanDerWaalsContact CE2-CD2 3.47Å; F156-H160 WeakPolarHBondContact CE2-CD2 3.43Å; F156-H160 AromaticContact CE2-NE2 3.2Å; F156-H160 WeakPolarHBondContact CE2-NE2 3.28Å; F156-H160 AromaticContact CZ-CD2 3.27Å; F156-H160 WeakPolarHBondContact CZ-CD2 3.31Å; F156-H160 AromaticContact CZ-NE2 3.1Å; F156-H160 WeakPolarHBondContact CZ-NE2 3.23Å; F156-H160 PolarHBondContact O-CD2 3.47Å; F156-H160 VanDerWaalsContact O-CD2 3.31Å; F156-H160 PolarHBondContact O-N 2.91Å; F156-H160 VanDerWaalsContact O-N 3.15Å; V157-H160 PolarHBondContact O-N 3.11Å
161T80.8Confident83.9Confident41 Ų4182 Ų8225%0.25246%0.457SS..SBendtrans-111.1145.2-178.7590000110.2V157V157-T161 HydrophobicContact CG1-CG2 4.22Å; V157-T161 WeakPolarHBondContact O-CB 3.34Å; V157-T161 WeakPolarHBondContact O-CG2 3.29Å; V157-T161 PolarHBondContact O-N 3.01Å; V157-T161 PolarHBondContact O-OG1 2.92Å
162S79.8Confident83.5Confident70 Ų7078.3 Ų78.349%0.4944%0.438SS..  trans-63.1140.4171.853.40000109.7L164 C165 L166S162-L164 CarbonylContact O-C 3.38Å; S162-L164 PolarHBondContact O-N 2.99Å; S162-C165 WeakPolarHBondContact O-CA 3.45Å; S162-C165 WeakPolarHBondContact O-CB 3.21Å; S162-C165 PolarHBondContact O-N 3.24Å; S162-C165 VanDerWaalsContact OG-CB 3.25Å; S162-C165 WeakPolarHBondContact OG-CB 3.35Å; S162-L166 PolarHBondContact O-N 3.1Å
163D76.9Confident83Confident136 Ų13678.4 Ų78.473%0.72744%0.436SS*.Hα-helixtrans-48.2-41.3-178.1-67.9-60.9000112.1L166 V167D163-L166 PolarHBondContact O-N 3.31Å; D163-V167 PolarHBondContact O-N 3.16Å
164L77.8Confident82.4Confident44 Ų4477.3 Ų77.323%0.2344%0.436CS..Hα-helixtrans-62.6-48.2176.3-68.5172000111F63 V66 H67 S162 L166 V167 Y168F63-L164 HydrophobicContact CE1-CB 4.43Å; F63-L164 VanDerWaalsContact CE2-C 3.41Å; F63-L164 HydrophobicContact CE2-CB 3.57Å; F63-L164 HydrophobicContact CE2-CD2 4.14Å; F63-L164 HydrophobicContact CE2-CG 4.45Å; F63-L164 WeakPolarHBondContact CE2-O 3.31Å; F63-L164 HydrophobicContact CZ-CB 3.34Å; F63-L164 WeakPolarHBondContact CZ-O 3.23Å; V66-L164 HydrophobicContact CG1-CD2 3.86Å; H67-L164 HydrophobicContact CB-CD1 3.87Å; H67-L164 WeakPolarHBondContact ND1-CD1 3.43Å; S162-L164 CarbonylContact O-C 3.38Å; S162-L164 PolarHBondContact O-N 2.99Å; L164-L166 PolarHBondContact O-N 3.42Å; L164-V167 PolarHBondContact O-N 3.22Å; L164-Y168 PolarHBondContact O-N 2.86Å
165C79.6Confident82Confident43 Ų4375 Ų7529%0.29142%0.419SS..Hα-helixtrans-58.1-35.2-178-176.20000111.7S162 Y168 L169S162-C165 WeakPolarHBondContact O-CA 3.45Å; S162-C165 WeakPolarHBondContact O-CB 3.21Å; S162-C165 PolarHBondContact O-N 3.24Å; S162-C165 VanDerWaalsContact OG-CB 3.25Å; S162-C165 WeakPolarHBondContact OG-CB 3.35Å; C165-Y168 PolarHBondContact O-N 3.23Å; C165-L169 WeakPolarHBondContact O-CB 3.46Å; C165-L169 WeakPolarHBondContact O-CG 3.36Å; C165-L169 PolarHBondContact O-N 3.42Å
166L79.7Confident81.4Confident66 Ų6676.2 Ų76.235%0.34642%0.416SS..Hα-helixtrans-65.2-47.1175.8-160.3164.4000110.9S162 D163 L164 Y168 L169 L170S162-L166 PolarHBondContact O-N 3.1Å; D163-L166 PolarHBondContact O-N 3.31Å; L164-L166 PolarHBondContact O-N 3.42Å; L166-Y168 VanDerWaalsContact C-N 3.33Å; L166-Y168 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 2.92Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 PolarHBondContact O-N 3.21Å
167V82.1Confident80.5Confident72 Ų7272.3 Ų72.344%0.43641%0.407SS..Hα-helixtrans-61.4-41.6175.9177.30000111.4D163 L164 L170 I171D163-V167 PolarHBondContact O-N 3.16Å; L164-V167 PolarHBondContact O-N 3.22Å; V167-L170 WeakPolarHBondContact O-CB 3.28Å; V167-L170 PolarHBondContact O-N 3.4Å; V167-I171 HydrophobicContact CG1-CD1 3.94Å; V167-I171 HydrophobicContact CG1-CG1 4.46Å; V167-I171 WeakPolarHBondContact O-CG1 3.16Å; V167-I171 PolarHBondContact O-N 2.94Å
168Y84.6Confident79.5Confident50 Ų5072 Ų7220%0.19641%0.407CS..Hα-helixtrans-61.4-47.4175.2174.3-102.6000112.1I59 T60 F63 L164 C165 L166 L170 I171 L172I59-Y168 HydrophobicContact CG2-CE2 4.34Å; T60-Y168 PolarHBondContact OG1-OH 3.2Å; F63-Y168 HydrophobicContact CB-CD2 4.15Å; F63-Y168 AromaticContact CD1-CD2 3.94Å; F63-Y168 HydrophobicContact CD1-CD2 3.94Å; F63-Y168 HydrophobicContact CD1-CG 4.11Å; F63-Y168 HydrophobicContact CD2-CD2 4.4Å; F63-Y168 HydrophobicContact CE1-CD2 4.47Å; F63-Y168 HydrophobicContact CE1-CG 4.18Å; F63-Y168 AromaticContact CG-CD2 3.88Å; F63-Y168 HydrophobicContact CG-CD2 3.88Å; F63-Y168 HydrophobicContact CG-CG 4.29Å; F63-Y168 HydrophobicContact CZ-CG 4.43Å; L164-Y168 PolarHBondContact O-N 2.86Å; C165-Y168 PolarHBondContact O-N 3.23Å; L166-Y168 VanDerWaalsContact C-N 3.33Å; L166-Y168 PolarHBondContact O-N 2.95Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.11Å; Y168-I171 PolarHBondContact O-N 2.93Å; Y168-L172 HydrophobicContact CE1-CD2 4.49Å; Y168-L172 VanDerWaalsContact O-CB 3.31Å; Y168-L172 WeakPolarHBondContact O-CB 3.08Å; Y168-L172 PolarHBondContact O-N 2.92Å
169L82.8Confident78.6Confident86 Ų8672.4 Ų72.445%0.4540%0.403SS..Hα-helixtrans-61.6-38.7175.3-75.4178.6000111.6C165 L166 L172 V173C165-L169 WeakPolarHBondContact O-CB 3.46Å; C165-L169 WeakPolarHBondContact O-CG 3.36Å; C165-L169 PolarHBondContact O-N 3.42Å; L166-L169 PolarHBondContact O-N 2.92Å; L169-L172 PolarHBondContact O-N 3.37Å; L169-V173 WeakPolarHBondContact O-CB 3.49Å; L169-V173 VanDerWaalsContact O-CG2 3.25Å; L169-V173 WeakPolarHBondContact O-CG2 3.39Å; L169-V173 PolarHBondContact O-N 3.33Å
170L83.6Confident77.3Confident100 Ų10068 Ų6852%0.52438%0.38SS..Hα-helixtrans-63.2-49.1176.5-176.369.3000111.2L166 V167 Y168 L172 V173 C174L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 PolarHBondContact O-N 3.21Å; V167-L170 WeakPolarHBondContact O-CB 3.28Å; V167-L170 PolarHBondContact O-N 3.4Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.11Å; L170-L172 VanDerWaalsContact C-N 3.28Å; L170-L172 PolarHBondContact O-N 2.88Å; L170-V173 PolarHBondContact O-N 3.02Å; L170-C174 WeakPolarHBondContact O-CB 3.49Å; L170-C174 PolarHBondContact O-N 2.97Å; L170-C174 PolarHBondContact O-SG 3.46Å
171I82.8Confident76.1Confident76 Ų7667.2 Ų67.239%0.3938%0.377SS..Hα-helixtrans-59.7-43176.6-68168000110.2I59 V167 Y168 C174 F175I59-I171 HydrophobicContact CG2-CG2 4.09Å; V167-I171 HydrophobicContact CG1-CD1 3.94Å; V167-I171 HydrophobicContact CG1-CG1 4.46Å; V167-I171 WeakPolarHBondContact O-CG1 3.16Å; V167-I171 PolarHBondContact O-N 2.94Å; Y168-I171 PolarHBondContact O-N 2.93Å; I171-C174 PolarHBondContact O-N 2.95Å; I171-F175 WeakPolarHBondContact O-CB 3.14Å; I171-F175 PolarHBondContact O-N 3.21Å
172L83Confident74.9Confident46 Ų4669.7 Ų69.724%0.24139%0.393CS..Hα-helixtrans-62.8-46.4178.2-172.469.4000111.4Y168 L169 L170 C174 F175 I176Y168-L172 HydrophobicContact CE1-CD2 4.49Å; Y168-L172 VanDerWaalsContact O-CB 3.31Å; Y168-L172 WeakPolarHBondContact O-CB 3.08Å; Y168-L172 PolarHBondContact O-N 2.92Å; L169-L172 PolarHBondContact O-N 3.37Å; L170-L172 VanDerWaalsContact C-N 3.28Å; L170-L172 PolarHBondContact O-N 2.88Å; L172-C174 VanDerWaalsContact C-N 3.35Å; L172-F175 PolarHBondContact O-N 3.32Å; L172-I176 HydrophobicContact CD1-CD1 4.08Å; L172-I176 HydrophobicContact CD2-CD1 4.42Å; L172-I176 HydrophobicContact CG-CD1 3.76Å; L172-I176 WeakPolarHBondContact O-CB 3.43Å; L172-I176 WeakPolarHBondContact O-CD1 3.41Å; L172-I176 WeakPolarHBondContact O-CG1 2.97Å; L172-I176 PolarHBondContact O-N 3.33Å
173V81.5Confident73.8Confident91 Ų9174.4 Ų74.455%0.55241%0.405SS*.Hα-helixtrans-63-42.2175.2170.10000110.6L169 L170 F175 I176 A177L169-V173 WeakPolarHBondContact O-CB 3.49Å; L169-V173 VanDerWaalsContact O-CG2 3.25Å; L169-V173 WeakPolarHBondContact O-CG2 3.39Å; L169-V173 PolarHBondContact O-N 3.33Å; L170-V173 PolarHBondContact O-N 3.02Å; V173-F175 VanDerWaalsContact C-N 3.32Å; V173-F175 PolarHBondContact O-N 3.26Å; V173-I176 PolarHBondContact O-N 3.46Å; V173-A177 WeakPolarHBondContact O-CA 2.9Å; V173-A177 WeakPolarHBondContact O-CB 3.36Å; V173-A177 PolarHBondContact O-N 3.31Å
174C78.8Confident72.8Confident76 Ų7669.3 Ų69.351%0.51439%0.385SS..Hα-helixtrans-64.1-33.5175.7-75.40000112.8L170 I171 L172 P178L170-C174 WeakPolarHBondContact O-CB 3.49Å; L170-C174 PolarHBondContact O-N 2.97Å; L170-C174 PolarHBondContact O-SG 3.46Å; I171-C174 PolarHBondContact O-N 2.95Å; L172-C174 VanDerWaalsContact C-N 3.35Å; C174-P178 WeakPolarHBondContact O-CD 3.29Å; C174-P178 WeakPolarHBondContact O-CG 3.42Å
175F77.8Confident71.9Confident46 Ų4670 Ų7020%0.20239%0.388CS..Hα-helixtrans-75.6-38.5175.6-166.2-103.4000111.1L44 T52 V55 I171 L172 V173 P178L44-F175 HydrophobicContact CD1-CD1 3.9Å; L44-F175 HydrophobicContact CD1-CD2 4Å; L44-F175 HydrophobicContact CD1-CE1 3.59Å; L44-F175 HydrophobicContact CD1-CE2 3.7Å; L44-F175 HydrophobicContact CD1-CG 4.1Å; L44-F175 HydrophobicContact CD1-CZ 3.48Å; L44-F175 VanDerWaalsContact CD1-CZ 3.48Å; L44-F175 WeakPolarHBondContact CD1-O 3.4Å; T52-F175 HydrophobicContact CG2-CE1 4.19Å; V55-F175 HydrophobicContact CB-CZ 4.33Å; V55-F175 HydrophobicContact CG1-CE1 4.34Å; V55-F175 HydrophobicContact CG1-CE2 3.91Å; V55-F175 HydrophobicContact CG1-CZ 3.62Å; I171-F175 WeakPolarHBondContact O-CB 3.14Å; I171-F175 PolarHBondContact O-N 3.21Å; L172-F175 PolarHBondContact O-N 3.32Å; V173-F175 VanDerWaalsContact C-N 3.32Å; V173-F175 PolarHBondContact O-N 3.26Å; F175-P178 WeakPolarHBondContact O-CD 3.23Å
176I76Confident71Confident59 Ų5973.8 Ų73.830%0.30341%0.405SS..Hα-helixtrans-73.4-38178.1-63.2167.4000110.7L172 V173 N179 L180L172-I176 HydrophobicContact CD1-CD1 4.08Å; L172-I176 HydrophobicContact CD2-CD1 4.42Å; L172-I176 HydrophobicContact CG-CD1 3.76Å; L172-I176 WeakPolarHBondContact O-CB 3.43Å; L172-I176 WeakPolarHBondContact O-CD1 3.41Å; L172-I176 WeakPolarHBondContact O-CG1 2.97Å; L172-I176 PolarHBondContact O-N 3.33Å; V173-I176 PolarHBondContact O-N 3.46Å; I176-N179 WeakPolarHBondContact O-CB 2.9Å; I176-N179 PolarHBondContact O-N 3Å; I176-L180 HydrophobicContact CG2-CD1 3.78Å; I176-L180 HydrophobicContact CG2-CD2 3.63Å; I176-L180 HydrophobicContact CG2-CG 3.56Å; I176-L180 VanDerWaalsContact O-CD1 3.26Å; I176-L180 WeakPolarHBondContact O-CD1 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.42Å; I176-L180 PolarHBondContact O-N 3.5Å
177A70.6Confident70.2Confident45 Ų4576.4 Ų76.437%0.37242%0.417SS..Hα-helixtrans-45.7-57.5-178.500000115.2V173 N179V173-A177 WeakPolarHBondContact O-CA 2.9Å; V173-A177 WeakPolarHBondContact O-CB 3.36Å; V173-A177 PolarHBondContact O-N 3.31Å; A177-N179 VanDerWaalsContact C-N 3.28Å; A177-N179 PolarHBondContact O-N 3.08Å
178P64.7Low69.6Low61 Ų6176.1 Ų76.140%0.39642%0.415SS..Hα-helixtrans-69.1-28179.325.9-33.8000112.8L44 C174 F175L44-P178 HydrophobicContact CD2-CB 4.07Å; L44-P178 HydrophobicContact CD2-CG 3.78Å; C174-P178 WeakPolarHBondContact O-CD 3.29Å; C174-P178 WeakPolarHBondContact O-CG 3.42Å; F175-P178 WeakPolarHBondContact O-CD 3.23Å
179N63.3Low68.8Low34 Ų3477.6 Ų77.618%0.18243%0.425CS..Hα-helixtrans-82.2-20.4-176.3-179.663.4000113.9L44 S45 W46 I176 A177 H181L44-N179 HydrophobicContact CD1-CB 3.78Å; L44-N179 HydrophobicContact CD2-CB 4.24Å; L44-N179 HydrophobicContact CG-CB 3.74Å; L44-N179 VanDerWaalsContact O-CG 3.29Å; L44-N179 PolarHBondContact O-OD1 3.42Å; S45-N179 WeakPolarHBondContact CA-OD1 3.49Å; W46-N179 VanDerWaalsContact CD1-OD1 3.24Å; W46-N179 VanDerWaalsContact NE1-CG 3.33Å; W46-N179 PolarHBondContact NE1-ND2 3.45Å; I176-N179 WeakPolarHBondContact O-CB 2.9Å; I176-N179 PolarHBondContact O-N 3Å; A177-N179 VanDerWaalsContact C-N 3.28Å; A177-N179 PolarHBondContact O-N 3.08Å; N179-H181 VanDerWaalsContact C-N 3.29Å; N179-H181 PolarHBondContact O-N 3.23Å
180L55.7Low68.3Low54 Ų5477.4 Ų77.428%0.28343%0.428SS..  trans-70.492.7-177.6-58.2135.4000109.3I176 I185I176-L180 HydrophobicContact CG2-CD1 3.78Å; I176-L180 HydrophobicContact CG2-CD2 3.63Å; I176-L180 HydrophobicContact CG2-CG 3.56Å; I176-L180 VanDerWaalsContact O-CD1 3.26Å; I176-L180 WeakPolarHBondContact O-CD1 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.42Å; I176-L180 PolarHBondContact O-N 3.5Å; L180-I185 HydrophobicContact CB-CD1 3.78Å; L180-I185 HydrophobicContact CB-CG1 3.29Å; L180-I185 HydrophobicContact CD1-CG1 4.25Å; L180-I185 HydrophobicContact CD2-CG1 4.31Å; L180-I185 HydrophobicContact CG-CG1 4.18Å; L180-I185 WeakPolarHBondContact O-CD1 3.45Å
181H57.2Low68Low116 Ų11681.3 Ų81.354%0.53744%0.436SS..  trans-47.3136.8165.9-174.6-95.1000109N179 K183 G184 I185N179-H181 VanDerWaalsContact C-N 3.29Å; N179-H181 PolarHBondContact O-N 3.23Å; H181-K183 PolarHBondContact ND1-N 2.71Å; H181-K183 PolarHBondContact O-N 3.35Å; H181-G184 WeakPolarHBondContact O-CA 3.33Å; H181-G184 PolarHBondContact O-N 3.43Å; H181-I185 PolarHBondContact O-N 3.08Å
182P55.2Low67.8Low92 Ų9283.1 Ų83.160%0.59745%0.445SS*.Hα-helixtrans-54.5-26.6-171.814.5-28.8000114
183K56.6Low67.6Low169 Ų16985.5 Ų85.574%0.73546%0.457SS*.Hα-helixtrans-69.2-33.8174.2-59.6-177-175.2177.40113.4H181H181-K183 PolarHBondContact ND1-N 2.71Å; H181-K183 PolarHBondContact O-N 3.35Å
184G56.5Low67.6Low30 Ų3089 Ų8931%0.30946%0.461SS..Hα-helixtrans-77.8-36.1178.900000113.1H181 L186 M187 V188H181-G184 WeakPolarHBondContact O-CA 3.33Å; H181-G184 PolarHBondContact O-N 3.43Å; G184-L186 PolarHBondContact O-N 3.22Å; G184-M187 PolarHBondContact O-N 2.79Å; G184-M187 VanDerWaalsContact O-N 3.09Å; G184-V188 WeakPolarHBondContact O-CG2 3.46Å; G184-V188 PolarHBondContact O-N 3.31Å
185I58.2Low67.7Low59 Ų5993.1 Ų93.130%0.30347%0.467SS..Hα-helixtrans-57.3-48.2175.8-65.4-179.7000110.8L180 H181 M187 V188 I189L180-I185 HydrophobicContact CB-CD1 3.78Å; L180-I185 HydrophobicContact CB-CG1 3.29Å; L180-I185 HydrophobicContact CD1-CG1 4.25Å; L180-I185 HydrophobicContact CD2-CG1 4.31Å; L180-I185 HydrophobicContact CG-CG1 4.18Å; L180-I185 WeakPolarHBondContact O-CD1 3.45Å; H181-I185 PolarHBondContact O-N 3.08Å; I185-M187 PolarHBondContact O-N 2.74Å; I185-V188 PolarHBondContact O-N 3.1Å; I185-I189 HydrophobicContact CG2-CD1 3.27Å; I185-I189 HydrophobicContact CG2-CG1 3.84Å; I185-I189 VanDerWaalsContact O-CB 3.23Å; I185-I189 WeakPolarHBondContact O-CB 3.35Å; I185-I189 VanDerWaalsContact O-CG1 3.31Å; I185-I189 WeakPolarHBondContact O-CG1 3.36Å; I185-I189 PolarHBondContact O-N 3.49Å
186L59.8Low67.6Low121 Ų12193.9 Ų93.963%0.63448%0.476SS*.Hα-helixtrans-57.6-42177.8-71.8177.8000110.4G184 V190G184-L186 PolarHBondContact O-N 3.22Å; L186-V190 WeakPolarHBondContact O-CA 3.41Å; L186-V190 WeakPolarHBondContact O-CB 3.23Å; L186-V190 WeakPolarHBondContact O-CG2 3.38Å; L186-V190 PolarHBondContact O-N 2.7Å
187M63.3Low67.8Low121 Ų12195.7 Ų95.760%0.59649%0.485SS*.Hα-helixtrans-66.8-49.3177.6-161170.885.200112G184 I185 V190 W191G184-M187 PolarHBondContact O-N 2.79Å; G184-M187 VanDerWaalsContact O-N 3.09Å; I185-M187 PolarHBondContact O-N 2.74Å; M187-V190 CarbonylContact O-C 3.56Å; M187-V190 PolarHBondContact O-N 2.86Å; M187-W191 WeakPolarHBondContact O-CB 3.4Å; M187-W191 PolarHBondContact O-N 3.38Å
188V69Low68.4Low66 Ų6695.2 Ų95.240%0.448%0.478SS..Hα-helixtrans-66-43.7-178.7175.40000111.7G184 I185 W191 I192G184-V188 WeakPolarHBondContact O-CG2 3.46Å; G184-V188 PolarHBondContact O-N 3.31Å; I185-V188 PolarHBondContact O-N 3.1Å; V188-W191 PolarHBondContact O-N 2.96Å; V188-I192 HydrophobicContact CG1-CD1 3.66Å; V188-I192 HydrophobicContact CG1-CG1 4.24Å; V188-I192 WeakPolarHBondContact O-CB 3.46Å; V188-I192 VanDerWaalsContact O-CG1 3.3Å; V188-I192 WeakPolarHBondContact O-CG1 3.22Å; V188-I192 PolarHBondContact O-N 3.34Å
189I68.7Low69.2Low81 Ų8196 Ų9642%0.41548%0.478SS..Hα-helixtrans-63.9-42.7174.2-67.9-178.3000110.2I185 W191 I192 L193I185-I189 HydrophobicContact CG2-CD1 3.27Å; I185-I189 HydrophobicContact CG2-CG1 3.84Å; I185-I189 VanDerWaalsContact O-CB 3.23Å; I185-I189 WeakPolarHBondContact O-CB 3.35Å; I185-I189 VanDerWaalsContact O-CG1 3.31Å; I185-I189 WeakPolarHBondContact O-CG1 3.36Å; I185-I189 PolarHBondContact O-N 3.49Å; I189-W191 VanDerWaalsContact C-N 3.28Å; I189-W191 PolarHBondContact O-N 2.97Å; I189-I192 PolarHBondContact O-N 3.27Å; I189-L193 HydrophobicContact CG2-CD1 3.54Å; I189-L193 HydrophobicContact CG2-CG 4.03Å; I189-L193 VanDerWaalsContact O-CB 3.23Å; I189-L193 WeakPolarHBondContact O-CB 3.42Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.32Å; I189-L193 PolarHBondContact O-N 3.12Å
190V73.1Confident70.1Confident82 Ų82100.1 Ų100.150%0.49750%0.499SS..Hα-helixtrans-58.6-42.9173.5165.50000110L186 M187 W194L186-V190 WeakPolarHBondContact O-CA 3.41Å; L186-V190 WeakPolarHBondContact O-CB 3.23Å; L186-V190 WeakPolarHBondContact O-CG2 3.38Å; L186-V190 PolarHBondContact O-N 2.7Å; M187-V190 CarbonylContact O-C 3.56Å; M187-V190 PolarHBondContact O-N 2.86Å; V190-W194 WeakPolarHBondContact O-CA 3.36Å; V190-W194 WeakPolarHBondContact O-CB 3.44Å; V190-W194 PolarHBondContact O-N 3.48Å
191W75.7Confident71.3Confident183 Ų183105.5 Ų105.569%0.69352%0.516SS*.Hα-helixtrans-66.6-45.1176.9-87.372.4000113M187 V188 I189 L193 W194 Y195M187-W191 WeakPolarHBondContact O-CB 3.4Å; M187-W191 PolarHBondContact O-N 3.38Å; V188-W191 PolarHBondContact O-N 2.96Å; I189-W191 VanDerWaalsContact C-N 3.28Å; I189-W191 PolarHBondContact O-N 2.97Å; W191-L193 VanDerWaalsContact C-N 3.33Å; W191-L193 PolarHBondContact O-N 2.96Å; W191-W194 PolarHBondContact O-N 3.49Å; W191-Y195 PolarHBondContact O-N 3.41Å
192I79.2Confident72.2Confident114 Ų114103.3 Ų103.359%0.58551%0.514SS*.Hα-helixtrans-67.3-32.8178.2-69.6171.9000111.5V188 I189 P196V188-I192 HydrophobicContact CG1-CD1 3.66Å; V188-I192 HydrophobicContact CG1-CG1 4.24Å; V188-I192 WeakPolarHBondContact O-CB 3.46Å; V188-I192 VanDerWaalsContact O-CG1 3.3Å; V188-I192 WeakPolarHBondContact O-CG1 3.22Å; V188-I192 PolarHBondContact O-N 3.34Å; I189-I192 PolarHBondContact O-N 3.27Å; I192-P196 WeakPolarHBondContact O-CD 3.48Å; I192-P196 VanDerWaalsContact O-CG 3.25Å; I192-P196 WeakPolarHBondContact O-CG 3.09Å
193L78Confident73.3Confident96 Ų96105 Ų10550%0.50351%0.512SS..Hα-helixtrans-78.7-37.1172.4-71.8173.4000111.2I189 W191 Y195 P196 I197I189-L193 HydrophobicContact CG2-CD1 3.54Å; I189-L193 HydrophobicContact CG2-CG 4.03Å; I189-L193 VanDerWaalsContact O-CB 3.23Å; I189-L193 WeakPolarHBondContact O-CB 3.42Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.32Å; I189-L193 PolarHBondContact O-N 3.12Å; W191-L193 VanDerWaalsContact C-N 3.33Å; W191-L193 PolarHBondContact O-N 2.96Å; L193-Y195 VanDerWaalsContact C-N 3.32Å; L193-Y195 PolarHBondContact O-N 3.13Å; L193-P196 WeakPolarHBondContact O-CD 3.42Å; L193-P196 VanDerWaalsContact O-CG 3.27Å; L193-P196 WeakPolarHBondContact O-CG 3.11Å; L193-I197 HydrophobicContact CB-CD1 4.29Å; L193-I197 WeakPolarHBondContact O-CB 3.48Å; L193-I197 WeakPolarHBondContact O-CD1 3.42Å; L193-I197 WeakPolarHBondContact O-CG1 3.29Å; L193-I197 PolarHBondContact O-N 3.05Å
194W82.9Confident73.9Confident164 Ų16499.6 Ų99.662%0.62150%0.499SS*.Hα-helixtrans-62.1-40.9178.3-172.7-89000111.3V190 W191 I197 T198V190-W194 WeakPolarHBondContact O-CA 3.36Å; V190-W194 WeakPolarHBondContact O-CB 3.44Å; V190-W194 PolarHBondContact O-N 3.48Å; W191-W194 PolarHBondContact O-N 3.49Å; W194-I197 CarbonylContact O-C 3.56Å; W194-I197 PolarHBondContact O-N 3.46Å; W194-T198 HydrophobicContact CG-CG2 4.26Å; W194-T198 VanDerWaalsContact NE1-CG2 3.32Å; W194-T198 VanDerWaalsContact O-CG2 3.31Å; W194-T198 WeakPolarHBondContact O-CG2 3.46Å; W194-T198 PolarHBondContact O-N 3.27Å; W194-T198 PolarHBondContact O-OG1 3.47Å
195Y79.9Confident74.6Confident162 Ų162101.7 Ų101.764%0.63551%0.509SS*.Hα-helixtrans-56.7-56.9179.3-169.4-99.5000113.8W191 L193 I197 T198 I199W191-Y195 PolarHBondContact O-N 3.41Å; L193-Y195 VanDerWaalsContact C-N 3.32Å; L193-Y195 PolarHBondContact O-N 3.13Å; Y195-I197 VanDerWaalsContact C-N 3.34Å; Y195-I197 PolarHBondContact O-N 3.41Å; Y195-T198 PolarHBondContact O-N 3.24Å; Y195-T198 PolarHBondContact O-OG1 3.33Å; Y195-I199 HydrophobicContact CD1-CD1 4.11Å; Y195-I199 HydrophobicContact CE1-CD1 3.55Å; Y195-I199 HydrophobicContact CE2-CD1 4.39Å; Y195-I199 PolarHBondContact O-N 3.23Å
196P75.9Confident75.2Confident62 Ų62107.4 Ų107.440%0.40353%0.532SS..Hα-helixtrans-66.5-32.1174.427.9-33.9000112I192 L193 T198 I199 L200I192-P196 WeakPolarHBondContact O-CD 3.48Å; I192-P196 VanDerWaalsContact O-CG 3.25Å; I192-P196 WeakPolarHBondContact O-CG 3.09Å; L193-P196 WeakPolarHBondContact O-CD 3.42Å; L193-P196 VanDerWaalsContact O-CG 3.27Å; L193-P196 WeakPolarHBondContact O-CG 3.11Å; P196-T198 VanDerWaalsContact C-N 3.31Å; P196-T198 PolarHBondContact O-N 3.41Å; P196-I199 PolarHBondContact O-N 2.9Å; P196-L200 WeakPolarHBondContact O-CB 3.16Å; P196-L200 PolarHBondContact O-N 3.04Å
197I81.2Confident75.5Confident97 Ų97109.7 Ų109.750%0.49754%0.537SS..Hα-helixtrans-62-40173.2-71163.8000110.7L193 W194 Y195 R201L193-I197 HydrophobicContact CB-CD1 4.29Å; L193-I197 WeakPolarHBondContact O-CB 3.48Å; L193-I197 WeakPolarHBondContact O-CD1 3.42Å; L193-I197 WeakPolarHBondContact O-CG1 3.29Å; L193-I197 PolarHBondContact O-N 3.05Å; W194-I197 CarbonylContact O-C 3.56Å; W194-I197 PolarHBondContact O-N 3.46Å; Y195-I197 VanDerWaalsContact C-N 3.34Å; Y195-I197 PolarHBondContact O-N 3.41Å; I197-R201 WeakPolarHBondContact O-CB 3.36Å; I197-R201 PolarHBondContact O-N 2.9Å
198T81.7Confident75.3Confident36 Ų36113.6 Ų113.622%0.22155%0.545CS..Hα-helixtrans-70.1-38.5176.959.30000112.6W194 Y195 P196 R201 S202W194-T198 HydrophobicContact CG-CG2 4.26Å; W194-T198 VanDerWaalsContact NE1-CG2 3.32Å; W194-T198 VanDerWaalsContact O-CG2 3.31Å; W194-T198 WeakPolarHBondContact O-CG2 3.46Å; W194-T198 PolarHBondContact O-N 3.27Å; W194-T198 PolarHBondContact O-OG1 3.47Å; Y195-T198 PolarHBondContact O-N 3.24Å; Y195-T198 PolarHBondContact O-OG1 3.33Å; P196-T198 VanDerWaalsContact C-N 3.31Å; P196-T198 PolarHBondContact O-N 3.41Å; T198-R201 PolarHBondContact O-N 3.38Å; T198-S202 WeakPolarHBondContact O-CB 3.32Å; T198-S202 PolarHBondContact O-N 3.09Å
199I82.1Confident74.8Confident78 Ų78115.2 Ų115.240%0.456%0.557SS.*Hα-helixtrans-65.7-43.8173.2-104.8131.2000111.1Y195 P196 R201 S202 F203Y195-I199 HydrophobicContact CD1-CD1 4.11Å; Y195-I199 HydrophobicContact CE1-CD1 3.55Å; Y195-I199 HydrophobicContact CE2-CD1 4.39Å; Y195-I199 PolarHBondContact O-N 3.23Å; P196-I199 PolarHBondContact O-N 2.9Å; I199-R201 VanDerWaalsContact C-N 3.34Å; I199-R201 PolarHBondContact O-N 3.46Å; I199-S202 CarbonylContact O-C 3.57Å; I199-S202 WeakPolarHBondContact O-CB 3.25Å; I199-S202 PolarHBondContact O-N 2.97Å; I199-S202 VanDerWaalsContact O-N 3.14Å; I199-F203 PolarHBondContact O-N 3.31Å
200L81.8Confident74.4Confident119 Ų119122.5 Ų122.562%0.62358%0.579SS**Hα-helixtrans-65-39.6176.6-174.665.1000110.7P196 S202 F203 A204P196-L200 WeakPolarHBondContact O-CB 3.16Å; P196-L200 PolarHBondContact O-N 3.04Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-F203 PolarHBondContact O-N 2.8Å; L200-A204 WeakPolarHBondContact O-CB 3.28Å; L200-A204 PolarHBondContact O-N 3.37Å
201R80.8Confident73.7Confident167 Ų167124.4 Ų124.463%0.6359%0.585SS**Hα-helixtrans-63.7-38.6172.2-176.8-179.265.2821.3111.7I197 T198 I199 A204 S205I197-R201 WeakPolarHBondContact O-CB 3.36Å; I197-R201 PolarHBondContact O-N 2.9Å; T198-R201 PolarHBondContact O-N 3.38Å; I199-R201 VanDerWaalsContact C-N 3.34Å; I199-R201 PolarHBondContact O-N 3.46Å; R201-A204 PolarHBondContact O-N 2.9Å; R201-S205 WeakPolarHBondContact O-CB 3.47Å; R201-S205 PolarHBondContact O-N 3.42Å; R201-S205 PolarHBondContact O-OG 3.18Å
202S77.2Confident72.7Confident71 Ų71119.1 Ų119.150%0.49757%0.574SS.*Hα-helixtrans-67.3-38.3175.1-173.20000111.9T198 I199 L200 S205 K206T198-S202 WeakPolarHBondContact O-CB 3.32Å; T198-S202 PolarHBondContact O-N 3.09Å; I199-S202 CarbonylContact O-C 3.57Å; I199-S202 WeakPolarHBondContact O-CB 3.25Å; I199-S202 PolarHBondContact O-N 2.97Å; I199-S202 VanDerWaalsContact O-N 3.14Å; L200-S202 VanDerWaalsContact C-N 3.34Å; S202-S205 PolarHBondContact O-OG 2.81Å; S202-K206 WeakPolarHBondContact O-CB 3.25Å; S202-K206 PolarHBondContact O-N 3.07Å
203F77Confident71.8Confident126 Ų126124.1 Ų124.155%0.55359%0.586SS**Hα-helixtrans-69.1-42.6172.3-96.1-86.4000111.7I199 L200 S205 K206 F207I199-F203 PolarHBondContact O-N 3.31Å; L200-F203 PolarHBondContact O-N 2.8Å; F203-S205 PolarHBondContact O-N 2.97Å; F203-K206 CarbonylContact O-C 3.6Å; F203-K206 WeakPolarHBondContact O-CB 3.35Å; F203-K206 PolarHBondContact O-N 2.91Å; F203-F207 WeakPolarHBondContact O-CB 3.26Å; F203-F207 PolarHBondContact O-N 3.36Å
204A69.9Low71.1Confident57 Ų57125.5 Ų125.547%0.47159%0.588SS.*Hα-helixtrans-68.1-31.2178.800000112.7L200 R201 F207 R208L200-A204 WeakPolarHBondContact O-CB 3.28Å; L200-A204 PolarHBondContact O-N 3.37Å; R201-A204 PolarHBondContact O-N 2.9Å; A204-F207 CarbonylContact O-C 3.6Å; A204-F207 PolarHBondContact O-N 3.01Å; A204-R208 WeakPolarHBondContact O-CA 3.43Å; A204-R208 PolarHBondContact O-N 2.98Å
205S71.1Confident69.9Low74 Ų74122.1 Ų122.152%0.51758%0.582SS.*Hα-helixtrans-71.8-35.4171.2680000111.5R201 S202 F203 F207 R208R201-S205 WeakPolarHBondContact O-CB 3.47Å; R201-S205 PolarHBondContact O-N 3.42Å; R201-S205 PolarHBondContact O-OG 3.18Å; S202-S205 PolarHBondContact O-OG 2.81Å; F203-S205 PolarHBondContact O-N 2.97Å; S205-F207 VanDerWaalsContact C-N 3.33Å; S205-R208 VanDerWaalsContact O-CB 3.3Å; S205-R208 WeakPolarHBondContact O-CB 3.44Å; S205-R208 PolarHBondContact O-N 3.3Å
206K71.2Confident69.1Low179 Ų179118.1 Ų118.178%0.77857%0.574SS**Hα-helixtrans-67.8-34.4172.7-160.5174-173.3-177.90112.1S202 F203S202-K206 WeakPolarHBondContact O-CB 3.25Å; S202-K206 PolarHBondContact O-N 3.07Å; F203-K206 CarbonylContact O-C 3.6Å; F203-K206 WeakPolarHBondContact O-CB 3.35Å; F203-K206 PolarHBondContact O-N 2.91Å
207F66.5Low68.5Low168 Ų168122.7 Ų122.774%0.73758%0.584SS**THydrogen-bonded Turntrans-91.65.7173.6-97.7-84.9000114.2F203 A204 S205 P209F203-F207 WeakPolarHBondContact O-CB 3.26Å; F203-F207 PolarHBondContact O-N 3.36Å; A204-F207 CarbonylContact O-C 3.6Å; A204-F207 PolarHBondContact O-N 3.01Å; S205-F207 VanDerWaalsContact C-N 3.33Å; F207-P209 WeakPolarHBondContact O-CD 3.39Å
208R59.2Low67.8Low204 Ų204122.1 Ų122.177%0.7758%0.58SS**SBendtrans-58.8112171.3-170.1-179.7-147-169.36.2104.7A204 S205 R210A204-R208 WeakPolarHBondContact O-CA 3.43Å; A204-R208 PolarHBondContact O-N 2.98Å; S205-R208 VanDerWaalsContact O-CB 3.3Å; S205-R208 WeakPolarHBondContact O-CB 3.44Å; S205-R208 PolarHBondContact O-N 3.3Å; R208-R210 PolarHBondContact O-N 2.9Å
209P58.7Low67.1Low100 Ų100126.4 Ų126.465%0.64960%0.601SS**  trans-58.6112.7175.924.1-30.6000104.3F207 I211F207-P209 WeakPolarHBondContact O-CD 3.39Å; P209-I211 PolarHBondContact O-N 3.45Å
210R59.4Low66.5Low233 Ų233131.6 Ų131.688%0.87962%0.616SS**  trans-58.893.8161.6-179.4-176.6-156.9169.16.6102.6R208 P212R208-R210 PolarHBondContact O-N 2.9Å; R210-P212 VanDerWaalsContact C-N 3.35Å; R210-P212 WeakPolarHBondContact O-CD 3.03Å
211I57.4Low65.8Low123 Ų123130.6 Ų130.663%0.63161%0.61SS**  trans-45.1107.1-179.2-68.9167.9000104.8P209 R213P209-I211 PolarHBondContact O-N 3.45Å; I211-R213 PolarHBondContact O-N 3.06Å
212P56.5Low65.3Low71 Ų71126.1 Ų126.146%0.46160%0.604SS.*  trans-66.3129.7-177.922.8-28.1000104.9R210 F214 L215R210-P212 VanDerWaalsContact C-N 3.35Å; R210-P212 WeakPolarHBondContact O-CD 3.03Å; P212-F214 HydrophobicContact CB-CB 4.31Å; P212-F214 PolarHBondContact O-N 3.16Å; P212-L215 HydrophobicContact CG-CD1 4.43Å; P212-L215 PolarHBondContact O-N 3.11Å
213R60.3Low64.9Low219 Ų219128.2 Ų128.283%0.82661%0.61SS**THydrogen-bonded Turntrans-56-0.5172.7-59.9-175.6-163153.41.6113I211 T216I211-R213 PolarHBondContact O-N 3.06Å; R213-T216 PolarHBondContact O-OG1 2.97Å
214F63.2Low64.4Low125 Ų125130.4 Ų130.455%0.54862%0.615SS.*THydrogen-bonded Turntrans-71-34.9169.9-164.1-106.8000112.6P212 T216 R217 I218P212-F214 HydrophobicContact CB-CB 4.31Å; P212-F214 PolarHBondContact O-N 3.16Å; F214-T216 VanDerWaalsContact C-N 3.34Å; F214-T216 PolarHBondContact O-N 2.92Å; F214-R217 WeakPolarHBondContact O-CA 3.49Å; F214-R217 VanDerWaalsContact O-CB 3.27Å; F214-R217 WeakPolarHBondContact O-CB 3.45Å; F214-R217 PolarHBondContact O-N 3Å; F214-I218 HydrophobicContact CD1-CD1 3.77Å; F214-I218 HydrophobicContact CD1-CG1 4.01Å; F214-I218 HydrophobicContact CE1-CD1 3.55Å; F214-I218 HydrophobicContact CE1-CG1 3.78Å; F214-I218 HydrophobicContact CZ-CG1 4.39Å; F214-I218 PolarHBondContact O-N 3.47Å
215L57.8Low64.1Low93 Ų93132 Ų13249%0.48762%0.616SS.*Hα-helixtrans-65.1-36.7177.9-87.9162.9000112.3P212 R217 I218 L219P212-L215 HydrophobicContact CG-CD1 4.43Å; P212-L215 PolarHBondContact O-N 3.11Å; L215-R217 PolarHBondContact O-N 3.46Å; L215-I218 PolarHBondContact O-N 3.29Å; L215-L219 PolarHBondContact O-N 3.45Å
216T63Low63.8Low79 Ų79132.5 Ų132.549%0.48562%0.615SS.*Hα-helixtrans-66.6-20.2172.356.90000112.4R213 F214 R220R213-T216 PolarHBondContact O-OG1 2.97Å; F214-T216 VanDerWaalsContact C-N 3.34Å; F214-T216 PolarHBondContact O-N 2.92Å; T216-R220 WeakPolarHBondContact O-CB 3.25Å; T216-R220 PolarHBondContact O-N 3.3Å
217R62.3Low63.7Low158 Ų158130 Ų13060%0.59661%0.611SS**Hα-helixtrans-84.4-39.8176.6-150.8-176.4-69.7-176.8-3112F214 L215 R220 I221F214-R217 WeakPolarHBondContact O-CA 3.49Å; F214-R217 VanDerWaalsContact O-CB 3.27Å; F214-R217 WeakPolarHBondContact O-CB 3.45Å; F214-R217 PolarHBondContact O-N 3Å; L215-R217 PolarHBondContact O-N 3.46Å; R217-R220 PolarHBondContact O-N 3.33Å; R217-I221 HydrophobicContact CG-CD1 4.49Å; R217-I221 WeakPolarHBondContact O-CG1 3.49Å; R217-I221 PolarHBondContact O-N 2.96Å
218I67.6Low63.7Low84 Ų84128.8 Ų128.843%0.43161%0.605SS.*Hα-helixtrans-66.2-45174.5-57.9177.4000110.7F214 L215 R220 I221 S222F214-I218 HydrophobicContact CD1-CD1 3.77Å; F214-I218 HydrophobicContact CD1-CG1 4.01Å; F214-I218 HydrophobicContact CE1-CD1 3.55Å; F214-I218 HydrophobicContact CE1-CG1 3.78Å; F214-I218 HydrophobicContact CZ-CG1 4.39Å; F214-I218 PolarHBondContact O-N 3.47Å; L215-I218 PolarHBondContact O-N 3.29Å; I218-R220 PolarHBondContact O-N 3.05Å; I218-I221 PolarHBondContact O-N 2.97Å; I218-I221 VanDerWaalsContact O-N 3.13Å; I218-S222 PolarHBondContact O-N 3.08Å
219L67.2Low63.9Low126 Ų126126.2 Ų126.266%0.6661%0.606SS**Hα-helixtrans-59.2-36.4175.3-88.5161.8000111.9L215 N223L215-L219 PolarHBondContact O-N 3.45Å; L219-N223 WeakPolarHBondContact O-CB 3.31Å; L219-N223 PolarHBondContact O-N 3.21Å; L219-N223 VanDerWaalsContact O-N 3.11Å
220R68.5Low64Low188 Ų188132.3 Ų132.371%0.70963%0.626SS**Hα-helixtrans-71.4-35.8175.7-166.6-178.9-61.9175-2.2113.2T216 R217 I218 R224T216-R220 WeakPolarHBondContact O-CB 3.25Å; T216-R220 PolarHBondContact O-N 3.3Å; R217-R220 PolarHBondContact O-N 3.33Å; I218-R220 PolarHBondContact O-N 3.05Å; R220-R224 PolarHBondContact O-N 3.44Å
221I68Low64.3Low97 Ų97127.3 Ų127.350%0.49761%0.613SS.*Hα-helixtrans-70.1-42.9175.7-70.8160000110.5R217 I218 N223 R224 N225R217-I221 HydrophobicContact CG-CD1 4.49Å; R217-I221 WeakPolarHBondContact O-CG1 3.49Å; R217-I221 PolarHBondContact O-N 2.96Å; I218-I221 PolarHBondContact O-N 2.97Å; I218-I221 VanDerWaalsContact O-N 3.13Å; I221-N223 VanDerWaalsContact C-N 3.32Å; I221-N223 PolarHBondContact O-N 3.19Å; I221-R224 PolarHBondContact O-N 3.31Å; I221-R224 VanDerWaalsContact O-N 3.08Å; I221-N225 PolarHBondContact O-N 3.31Å; I221-N225 VanDerWaalsContact O-N 3.12Å
222S69.8Low64.6Low73 Ų73127.5 Ų127.551%0.5161%0.613SS.*Hα-helixtrans-58-45.1176-167.80000111.5I218 R224 N225 T226I218-S222 PolarHBondContact O-N 3.08Å; S222-R224 VanDerWaalsContact C-N 3.25Å; S222-R224 PolarHBondContact O-N 2.8Å; S222-N225 PolarHBondContact O-N 3.44Å; S222-T226 PolarHBondContact O-N 3.08Å; S222-T226 PolarHBondContact O-OG1 3.4Å
223N68Low65.1Low115 Ų115130.6 Ų130.662%0.61562%0.621SS**Hα-helixtrans-68-22.6178-161.765.8000113.6L219 I221 T226L219-N223 WeakPolarHBondContact O-CB 3.31Å; L219-N223 PolarHBondContact O-N 3.21Å; L219-N223 VanDerWaalsContact O-N 3.11Å; I221-N223 VanDerWaalsContact C-N 3.32Å; I221-N223 PolarHBondContact O-N 3.19Å; N223-T226 WeakPolarHBondContact CA-OG1 3.27Å; N223-T226 PolarHBondContact O-OG1 3.45Å
224R67.5Low65.4Low173 Ų173125.4 Ų125.465%0.65361%0.609SS**Hα-helixtrans-82.2-27.1176.3-171.9178.8175.2-170.6-1.3112.5R220 I221 S222R220-R224 PolarHBondContact O-N 3.44Å; I221-R224 PolarHBondContact O-N 3.31Å; I221-R224 VanDerWaalsContact O-N 3.08Å; S222-R224 VanDerWaalsContact C-N 3.25Å; S222-R224 PolarHBondContact O-N 2.8Å
225N63.9Low65.5Low91 Ų91125.4 Ų125.449%0.48761%0.613SS.*Hα-helixtrans-76-38.5176.9-81.46.9000111.7I221 S222 D227 K228 D229I221-N225 PolarHBondContact O-N 3.31Å; I221-N225 VanDerWaalsContact O-N 3.12Å; S222-N225 PolarHBondContact O-N 3.44Å; N225-D227 PolarHBondContact O-N 3.34Å; N225-K228 PolarHBondContact O-N 3.39Å; N225-D229 PolarHBondContact O-N 3.47Å
226T64.9Low66Low83 Ų83127.6 Ų127.651%0.50962%0.621SS.*Hα-helixtrans-61.4-26.7174.841.80000113.7S222 N223 K228S222-T226 PolarHBondContact O-N 3.08Å; S222-T226 PolarHBondContact O-OG1 3.4Å; N223-T226 WeakPolarHBondContact CA-OG1 3.27Å; N223-T226 PolarHBondContact O-OG1 3.45Å; T226-K228 VanDerWaalsContact C-N 3.32Å
227D68.7Low66.2Low128 Ų128131.1 Ų131.168%0.68463%0.631SS**THydrogen-bonded Turntrans-84.4-5.5178.6-14212.3000113.1N225N225-D227 PolarHBondContact O-N 3.34Å
228K66Low66.5Low142 Ų142129 Ų12962%0.61763%0.634SS**THydrogen-bonded Turntrans-102.4-18.7175.5-75.1-173.5173.4-171.70113.6N225 T226 Q230N225-K228 PolarHBondContact O-N 3.39Å; T226-K228 VanDerWaalsContact C-N 3.32Å; K228-Q230 VanDerWaalsContact C-N 3.29Å
229D64.4Low66.4Low149 Ų149132.8 Ų132.880%0.79765%0.65SS**  trans-89.93.9179.8-65.7-28000112.2N225N225-D229 PolarHBondContact O-N 3.47Å
230Q60.5Low66.4Low228 Ų228133.4 Ų133.4100%1.06565%0.65SS**  trans-116.60176.4-164172.1-34.500110.4K228K228-Q230 VanDerWaalsContact C-N 3.29Å

Retrieved 230 of 230 residues in 225.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).