G4VAZ9_SCHMA Loading...

Aldedh domain-containing protein

AlphaFold DB , UniProt , Accession G4VAZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 513 aa.

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

 

Download Structure   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
1M45.2Very low76.2Confident153 Ų15381.9 Ų81.975%0.75443%0.425SS*.  0123.70-74.7-179-132.800108.8P340M1-P340 HydrophobicContact CE-CB 4.46Å; M1-P340 HydrophobicContact CE-CG 3.8Å; M1-P340 HydrophobicContact SD-CG 3.79Å
2N50.6Low77.7Confident127 Ų12782.6 Ų82.668%0.67943%0.425SS*.  trans-67.7160.8169.8-74.2-6000109.6E4 S5N2-E4 PolarHBondContact O-N 2.88Å; N2-E4 VanDerWaalsContact O-N 3.13Å; N2-S5 WeakPolarHBondContact O-CB 3.13Å; N2-S5 PolarHBondContact O-N 3.2Å
3S56.6Low79.1Confident79 Ų7976.2 Ų76.255%0.55239%0.392SS*.Hα-helixtrans-52.7-34.118047.50000113.8S5 F6S3-S5 PolarHBondContact O-N 2.89Å; S3-F6 VanDerWaalsContact O-CD1 3.31Å; S3-F6 WeakPolarHBondContact O-CD1 3.48Å; S3-F6 VanDerWaalsContact O-CE1 3.31Å; S3-F6 WeakPolarHBondContact O-CE1 3.43Å
4E60.6Low80.3Confident149 Ų14974.3 Ų74.370%0.69638%0.382SS*.Hα-helixtrans-62.2-29.6178.3-66.1176.3166.300113N2 E8N2-E4 PolarHBondContact O-N 2.88Å; N2-E4 VanDerWaalsContact O-N 3.13Å; E4-E8 WeakPolarHBondContact O-CB 3.44Å; E4-E8 PolarHBondContact O-N 2.94Å
5S83.4Confident81.3Confident48 Ų4876.1 Ų76.134%0.33639%0.388SS..Hα-helixtrans-70.6-39-173.4179.40000113.3N2 S3 C9N2-S5 WeakPolarHBondContact O-CB 3.13Å; N2-S5 PolarHBondContact O-N 3.2Å; S3-S5 PolarHBondContact O-N 2.89Å; S5-C9 PolarHBondContact O-N 2.88Å; S5-C9 PolarHBondContact O-SG 2.94Å
6F87.3Confident82.2Confident27 Ų2778 Ų7812%0.11839%0.389CS..Hα-helixtrans-84.4-30-176.371.2-102000112.7S3 E8 C9 R10 D336 F338 N339S3-F6 VanDerWaalsContact O-CD1 3.31Å; S3-F6 WeakPolarHBondContact O-CD1 3.48Å; S3-F6 VanDerWaalsContact O-CE1 3.31Å; S3-F6 WeakPolarHBondContact O-CE1 3.43Å; F6-E8 VanDerWaalsContact C-N 3.26Å; F6-E8 PolarHBondContact O-N 2.87Å; F6-C9 WeakPolarHBondContact O-CB 3.32Å; F6-C9 PolarHBondContact O-N 3.44Å; F6-R10 PolarHBondContact O-N 3.07Å; F6-D336 HydrophobicContact CD2-CB 4.04Å; F6-D336 HydrophobicContact CE2-CB 3.59Å; F6-D336 HydrophobicContact CZ-CB 4.43Å; F6-F338 HydrophobicContact CB-CB 4.48Å; F6-F338 WeakPolarHBondContact CB-O 3.36Å; F6-N339 HydrophobicContact CB-CB 4.29Å; F6-N339 HydrophobicContact CD1-CB 3.82Å; F6-N339 HydrophobicContact CD2-CB 4.02Å; F6-N339 HydrophobicContact CE1-CB 4.1Å; F6-N339 HydrophobicContact CE2-CB 4.34Å; F6-N339 HydrophobicContact CG-CB 3.78Å; F6-N339 HydrophobicContact CZ-CB 4.38Å
7Q86.9Confident83Confident84 Ų8473.4 Ų73.439%0.39337%0.366SS..Hα-helixtrans-63.4-38.9172.2-67.9-177-43.900110.4R10 K11Q7-R10 PolarHBondContact O-N 3.5Å; Q7-K11 WeakPolarHBondContact O-CB 3.42Å; Q7-K11 PolarHBondContact O-N 2.78Å
8E89.9Confident83.6Confident74 Ų7473.3 Ų73.335%0.34636%0.364SS..Hα-helixtrans-64.7-41172-17657-154.600111.8E4 F6 R10 K11 Q12E4-E8 WeakPolarHBondContact O-CB 3.44Å; E4-E8 PolarHBondContact O-N 2.94Å; F6-E8 VanDerWaalsContact C-N 3.26Å; F6-E8 PolarHBondContact O-N 2.87Å; E8-R10 PolarHBondContact O-N 2.99Å; E8-K11 PolarHBondContact O-N 2.94Å; E8-K11 IonicContact OE2-NZ 2.65Å; E8-Q12 WeakPolarHBondContact O-CB 3.48Å; E8-Q12 VanDerWaalsContact O-CG 3.29Å; E8-Q12 WeakPolarHBondContact O-CG 3.25Å; E8-Q12 PolarHBondContact O-N 3.01Å; E8-Q12 PolarHBondContact OE1-NE2 3.39Å
9C91.9Very high84.1Confident45 Ų4576.9 Ų76.930%0.30438%0.378SS..Hα-helixtrans-57.8-45.6173.2-66.60000112.6S5 F6 K11 Q12 A13 F338S5-C9 PolarHBondContact O-N 2.88Å; S5-C9 PolarHBondContact O-SG 2.94Å; F6-C9 WeakPolarHBondContact O-CB 3.32Å; F6-C9 PolarHBondContact O-N 3.44Å; C9-K11 PolarHBondContact O-N 2.84Å; C9-Q12 PolarHBondContact O-N 3.29Å; C9-A13 PolarHBondContact O-N 3.16Å; C9-F338 HydrophobicContact CB-CD1 4.11Å
10R92.9Very high84.7Confident7 Ų774.4 Ų74.43%0.02636%0.364CS..Hα-helixtrans-59.6-47.2175.4174.1-175.5-69.1-78.7-1.4111.4F6 Q7 E8 Q12 A13 I14 D48 S50 D336 F338F6-R10 PolarHBondContact O-N 3.07Å; Q7-R10 PolarHBondContact O-N 3.5Å; E8-R10 PolarHBondContact O-N 2.99Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-Q12 PolarHBondContact O-N 3.36Å; R10-A13 WeakPolarHBondContact O-CB 3.2Å; R10-A13 PolarHBondContact O-N 3.1Å; R10-I14 HydrophobicContact CG-CD1 4.03Å; R10-I14 WeakPolarHBondContact O-CG1 3.32Å; R10-I14 PolarHBondContact O-N 3.12Å; R10-D48 IonicContact CZ-OD2 3.26Å; R10-D48 VanDerWaalsContact NH1-CG 3.34Å; R10-D48 IonicContact NH1-OD1 2.84Å; R10-D48 PolarHBondContact NH1-OD1 3.43Å; R10-D48 IonicContact NH1-OD2 2.81Å; R10-D48 PolarHBondContact NH1-OD2 2.89Å; R10-S50 PolarHBondContact NH1-OG 2.8Å; R10-S50 PolarHBondContact NH2-OG 2.84Å; R10-D336 IonicContact CZ-OD1 2.79Å; R10-D336 IonicContact CZ-OD2 3.01Å; R10-D336 IonicContact NE-OD1 3.87Å; R10-D336 IonicContact NE-OD2 2.69Å; R10-D336 PolarHBondContact NE-OD2 3Å; R10-D336 VanDerWaalsContact NE-OD2 3.13Å; R10-D336 VanDerWaalsContact NH2-CG 3.29Å; R10-D336 IonicContact NH2-OD1 3.04Å; R10-D336 PolarHBondContact NH2-OD1 2.79Å; R10-D336 IonicContact NH2-OD2 3.56Å; R10-D336 PolarHBondContact NH2-OD2 3.35Å; R10-F338 HydrophobicContact CB-CB 4.37Å; R10-F338 HydrophobicContact CB-CD1 4.24Å; R10-F338 HydrophobicContact CB-CD2 3.8Å; R10-F338 HydrophobicContact CB-CE2 4.08Å; R10-F338 HydrophobicContact CB-CG 3.88Å; R10-F338 HydrophobicContact CB-CZ 4.43Å; R10-F338 HydrophobicContact CG-CD2 4.11Å; R10-F338 HydrophobicContact CG-CE2 4.05Å
11K92.9Very high85.1Confident108 Ų10871.1 Ų71.147%0.4735%0.348SS..Hα-helixtrans-59-45.4179.3-178.2-175166.4-155.60111.1Q7 E8 C9 A13 I14 E15Q7-K11 WeakPolarHBondContact O-CB 3.42Å; Q7-K11 PolarHBondContact O-N 2.78Å; E8-K11 PolarHBondContact O-N 2.94Å; E8-K11 IonicContact OE2-NZ 2.65Å; C9-K11 PolarHBondContact O-N 2.84Å; K11-A13 PolarHBondContact O-N 3.37Å; K11-I14 PolarHBondContact O-N 2.93Å; K11-E15 WeakPolarHBondContact CE-OE1 3.41Å; K11-E15 IonicContact NZ-OE1 3.7Å; K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 3.15Å
12Q94.5Very high87.1Confident90 Ų9069 Ų6942%0.42134%0.339SS..Hα-helixtrans-61.6-40.7175.7-71.3172.9500112.2E8 C9 R10 I14 E15 R16E8-Q12 WeakPolarHBondContact O-CB 3.48Å; E8-Q12 VanDerWaalsContact O-CG 3.29Å; E8-Q12 WeakPolarHBondContact O-CG 3.25Å; E8-Q12 PolarHBondContact O-N 3.01Å; E8-Q12 PolarHBondContact OE1-NE2 3.39Å; C9-Q12 PolarHBondContact O-N 3.29Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-Q12 PolarHBondContact O-N 3.36Å; Q12-I14 VanDerWaalsContact C-N 3.34Å; Q12-I14 PolarHBondContact O-N 3.15Å; Q12-E15 PolarHBondContact O-N 3.31Å; Q12-R16 WeakPolarHBondContact O-CB 3.29Å; Q12-R16 VanDerWaalsContact O-CG 3.26Å; Q12-R16 WeakPolarHBondContact O-CG 3.25Å; Q12-R16 PolarHBondContact O-N 3.02Å
13A96.1Very high88.8Confident0 Ų069 Ų690%034%0.339CS..Hα-helixtrans-61-42.1174.800000112C9 R10 K11 R16 L17 E108 L112 F338C9-A13 PolarHBondContact O-N 3.16Å; R10-A13 WeakPolarHBondContact O-CB 3.2Å; R10-A13 PolarHBondContact O-N 3.1Å; K11-A13 PolarHBondContact O-N 3.37Å; A13-R16 PolarHBondContact O-N 3.33Å; A13-L17 WeakPolarHBondContact O-CB 3.39Å; A13-L17 PolarHBondContact O-N 3.26Å; A13-E108 HydrophobicContact CB-CB 4.04Å; A13-E108 HydrophobicContact CB-CG 4.04Å; A13-L112 HydrophobicContact CB-CD1 4.13Å; A13-F338 HydrophobicContact CB-CE1 3.72Å; A13-F338 HydrophobicContact CB-CZ 3.75Å
14I95.6Very high89.8Confident49 Ų4966 Ų6625%0.25132%0.319SS..Hα-helixtrans-65.9-41.9175.6-66.1168.9000111.4R10 K11 Q12 R16 L17 H18 F30 L112R10-I14 HydrophobicContact CG-CD1 4.03Å; R10-I14 WeakPolarHBondContact O-CG1 3.32Å; R10-I14 PolarHBondContact O-N 3.12Å; K11-I14 PolarHBondContact O-N 2.93Å; Q12-I14 VanDerWaalsContact C-N 3.34Å; Q12-I14 PolarHBondContact O-N 3.15Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.5Å; I14-L17 WeakPolarHBondContact O-CB 3.42Å; I14-L17 PolarHBondContact O-N 3.16Å; I14-H18 PolarHBondContact O-N 3.43Å; I14-F30 HydrophobicContact CG2-CE2 4.03Å; I14-F30 HydrophobicContact CG2-CZ 3.74Å; I14-L112 HydrophobicContact CG1-CD2 4.09Å
15E95Very high90.8Very high102 Ų10268.6 Ų68.648%0.47733%0.331SS..Hα-helixtrans-62.9-40.7175.7-73.4174.9-178.400111.9K11 Q12 H18 K19K11-E15 WeakPolarHBondContact CE-OE1 3.41Å; K11-E15 IonicContact NZ-OE1 3.7Å; K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 3.15Å; Q12-E15 PolarHBondContact O-N 3.31Å; E15-H18 PolarHBondContact O-N 2.96Å; E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 PolarHBondContact O-N 2.71Å
16R95.6Very high90.9Very high106 Ų10667 Ų6740%0.432%0.318SS..Hα-helixtrans-64.1-41.2173.6-72.5175.771.3-177.110.4111.9Q12 A13 I14 K19 W20 W105 E108Q12-R16 WeakPolarHBondContact O-CB 3.29Å; Q12-R16 VanDerWaalsContact O-CG 3.26Å; Q12-R16 WeakPolarHBondContact O-CG 3.25Å; Q12-R16 PolarHBondContact O-N 3.02Å; A13-R16 PolarHBondContact O-N 3.33Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.5Å; R16-K19 PolarHBondContact O-N 2.81Å; R16-W20 WeakPolarHBondContact O-CB 3.35Å; R16-W20 PolarHBondContact O-N 2.84Å; R16-W105 HydrophobicContact CB-CE3 4.15Å; R16-W105 HydrophobicContact CB-CH2 3.83Å; R16-W105 HydrophobicContact CB-CZ3 3.52Å; R16-E108 IonicContact CZ-OE2 3.73Å; R16-E108 IonicContact NE-OE2 3.99Å; R16-E108 VanDerWaalsContact NH1-CD 3.26Å; R16-E108 IonicContact NH1-OE1 2.79Å; R16-E108 PolarHBondContact NH1-OE1 2.95Å; R16-E108 IonicContact NH1-OE2 3.96Å; R16-E108 PolarHBondContact NH1-OE2 2.7Å
17L96.1Very high90.9Very high0 Ų069.1 Ų69.10%034%0.335CS..Hα-helixtrans-58.6-50.3174.3172.460.1000110.7A13 I14 K19 W20 L21 F30 L55 W105 L109 L112 L204A13-L17 WeakPolarHBondContact O-CB 3.39Å; A13-L17 PolarHBondContact O-N 3.26Å; I14-L17 WeakPolarHBondContact O-CB 3.42Å; I14-L17 PolarHBondContact O-N 3.16Å; L17-K19 PolarHBondContact O-N 2.85Å; L17-W20 HydrophobicContact CD1-CE3 3.69Å; L17-W20 HydrophobicContact CD1-CZ3 3.88Å; L17-W20 PolarHBondContact O-N 2.93Å; L17-L21 HydrophobicContact CD1-CD1 3.71Å; L17-L21 HydrophobicContact CD1-CG 4.02Å; L17-L21 HydrophobicContact CG-CD1 4.03Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.3Å; L17-F30 HydrophobicContact CD2-CD2 4.38Å; L17-F30 HydrophobicContact CD2-CE2 4.22Å; L17-F30 HydrophobicContact CG-CD2 4.19Å; L17-F30 HydrophobicContact CG-CE2 4.28Å; L17-L55 HydrophobicContact CD2-CD2 4.07Å; L17-W105 HydrophobicContact CB-CH2 3.98Å; L17-L109 HydrophobicContact CD1-CD2 3.97Å; L17-L112 HydrophobicContact CD2-CD1 4.42Å; L17-L204 HydrophobicContact CD1-CD1 4.35Å; L17-L204 HydrophobicContact CD1-CD2 3.99Å; L17-L204 HydrophobicContact CD2-CD1 4.35Å
18H93.7Very high91.1Very high71 Ų7165.2 Ų65.233%0.32932%0.317SS..Hα-helixtrans-58.8-46.1177.5-176.9-165.4000111.8I14 E15 W20 L21 N22 F30I14-H18 PolarHBondContact O-N 3.43Å; E15-H18 PolarHBondContact O-N 2.96Å; H18-W20 PolarHBondContact O-N 3.48Å; H18-L21 PolarHBondContact O-N 2.82Å; H18-N22 PolarHBondContact CD2-ND2 3.19Å; H18-N22 PolarHBondContact NE2-ND2 3.11Å; H18-N22 WeakPolarHBondContact O-CB 3.37Å; H18-N22 PolarHBondContact O-N 2.95Å; H18-F30 HydrophobicContact CB-CD1 3.97Å; H18-F30 HydrophobicContact CB-CD2 3.96Å; H18-F30 HydrophobicContact CB-CE1 3.98Å; H18-F30 HydrophobicContact CB-CE2 3.95Å; H18-F30 HydrophobicContact CB-CG 3.98Å; H18-F30 HydrophobicContact CB-CZ 3.97Å; H18-F30 AromaticContact CD2-CD1 3.54Å; H18-F30 AromaticContact CD2-CG 3.77Å; H18-F30 AromaticContact CG-CD1 3.62Å; H18-F30 AromaticContact CG-CE1 3.84Å; H18-F30 AromaticContact CG-CG 3.97Å; H18-F30 AromaticContact NE2-CD1 3.99Å
19K94.1Very high91.2Very high143 Ų14366.2 Ų66.262%0.62232%0.32SS*.Hα-helixtrans-62.9-42177.2-178.6176.2178.1-179.10112.5E15 R16 L17 N23E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 PolarHBondContact O-N 2.71Å; R16-K19 PolarHBondContact O-N 2.81Å; L17-K19 PolarHBondContact O-N 2.85Å; K19-N23 WeakPolarHBondContact CG-ND2 3.35Å; K19-N23 WeakPolarHBondContact O-CB 3.32Å; K19-N23 VanDerWaalsContact O-CG 3.3Å; K19-N23 PolarHBondContact O-N 3.16Å; K19-N23 PolarHBondContact O-ND2 3.49Å
20W95.1Very high91.1Very high26 Ų2666.2 Ų66.210%0.09832%0.315CS..Hα-helixtrans-60.3-50.3176.6168.745.7000110.6R16 L17 H18 N22 N23 S24 L26 W105 L109 L204 I207 R208 E211R16-W20 WeakPolarHBondContact O-CB 3.35Å; R16-W20 PolarHBondContact O-N 2.84Å; L17-W20 HydrophobicContact CD1-CE3 3.69Å; L17-W20 HydrophobicContact CD1-CZ3 3.88Å; L17-W20 PolarHBondContact O-N 2.93Å; H18-W20 PolarHBondContact O-N 3.48Å; W20-N22 PolarHBondContact O-N 2.92Å; W20-N23 PolarHBondContact O-N 2.87Å; W20-S24 VanDerWaalsContact O-CB 3.25Å; W20-S24 WeakPolarHBondContact O-CB 3.43Å; W20-S24 PolarHBondContact O-N 3.32Å; W20-S24 PolarHBondContact O-OG 2.93Å; W20-L26 HydrophobicContact CH2-CD1 4.28Å; W20-L26 HydrophobicContact CZ2-CD1 3.45Å; W20-L26 VanDerWaalsContact CZ2-CD1 3.45Å; W20-W105 HydrophobicContact CB-CZ2 4.16Å; W20-W105 HydrophobicContact CD2-CZ2 4.22Å; W20-W105 AromaticContact CE3-CZ2 3.84Å; W20-W105 HydrophobicContact CE3-CZ2 3.84Å; W20-W105 HydrophobicContact CG-CZ2 4.38Å; W20-L109 HydrophobicContact CE3-CD1 4.48Å; W20-L109 HydrophobicContact CE3-CD2 4.3Å; W20-L109 HydrophobicContact CH2-CD1 4.36Å; W20-L109 HydrophobicContact CZ3-CD1 4Å; W20-L109 HydrophobicContact CZ3-CD2 4.03Å; W20-L204 HydrophobicContact CZ3-CD2 4.34Å; W20-I207 HydrophobicContact CH2-CG2 4.34Å; W20-I207 HydrophobicContact CZ2-CG2 4.21Å; W20-R208 HydrophobicContact CH2-CB 4.06Å; W20-R208 HydrophobicContact CZ2-CB 3.92Å; W20-E211 PolarHBondContact NE1-OE2 2.79Å
21L92.8Very high90.8Very high6 Ų666.1 Ų66.13%0.03132%0.315CS..Hα-helixtrans-62.5-42.9-178.8-67173.3000112.5L17 H18 N23 S24 L28 F30 V56L17-L21 HydrophobicContact CD1-CD1 3.71Å; L17-L21 HydrophobicContact CD1-CG 4.02Å; L17-L21 HydrophobicContact CG-CD1 4.03Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.3Å; H18-L21 PolarHBondContact O-N 2.82Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 2.91Å; L21-S24 PolarHBondContact O-N 3.47Å; L21-S24 PolarHBondContact O-OG 3.14Å; L21-L28 HydrophobicContact CD2-CB 3.69Å; L21-L28 HydrophobicContact CD2-CD1 4.37Å; L21-F30 HydrophobicContact CD1-CB 3.83Å; L21-F30 HydrophobicContact CD1-CD2 4.1Å; L21-F30 HydrophobicContact CD1-CG 4.47Å; L21-V56 HydrophobicContact CD1-CG1 3.46Å; L21-V56 VanDerWaalsContact CD1-CG1 3.46Å
22N88.6Confident89.6Confident108 Ų10863.9 Ų63.958%0.57832%0.317SS*.Hα-helixtrans-66.4-31.6179.2-75-11.5000113.9H18 W20 S24H18-N22 PolarHBondContact CD2-ND2 3.19Å; H18-N22 PolarHBondContact NE2-ND2 3.11Å; H18-N22 WeakPolarHBondContact O-CB 3.37Å; H18-N22 PolarHBondContact O-N 2.95Å; W20-N22 PolarHBondContact O-N 2.92Å; N22-S24 VanDerWaalsContact C-N 3.25Å; N22-S24 PolarHBondContact O-N 3.01Å
23N86.1Confident87.9Confident126 Ų12663.1 Ų63.167%0.67433%0.333SS*.THydrogen-bonded Turntrans-86.11.8179.2-67.7-33.7000113K19 W20 L21K19-N23 WeakPolarHBondContact CG-ND2 3.35Å; K19-N23 WeakPolarHBondContact O-CB 3.32Å; K19-N23 VanDerWaalsContact O-CG 3.3Å; K19-N23 PolarHBondContact O-N 3.16Å; K19-N23 PolarHBondContact O-ND2 3.49Å; W20-N23 PolarHBondContact O-N 2.87Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 2.91Å
24S77.8Confident85.9Confident18 Ų1866.5 Ų66.513%0.12635%0.352CS..SBendtrans-119.7147-171.179.70000111.4W20 L21 N22 L26W20-S24 VanDerWaalsContact O-CB 3.25Å; W20-S24 WeakPolarHBondContact O-CB 3.43Å; W20-S24 PolarHBondContact O-N 3.32Å; W20-S24 PolarHBondContact O-OG 2.93Å; L21-S24 PolarHBondContact O-N 3.47Å; L21-S24 PolarHBondContact O-OG 3.14Å; N22-S24 VanDerWaalsContact C-N 3.25Å; N22-S24 PolarHBondContact O-N 3.01Å; S24-L26 PolarHBondContact O-N 2.99Å; S24-L26 WeakPolarHBondContact OG-CB 3.46Å; S24-L26 VanDerWaalsContact OG-CD1 3.27Å; S24-L26 WeakPolarHBondContact OG-CD1 3.41Å; S24-L26 WeakPolarHBondContact OG-CG 3.32Å
25Q80.5Confident83.7Confident203 Ų20370.5 Ų70.595%0.94938%0.378SS*.  trans-87.234.4170.1-65.3-174.1-2.800111.4
26L85.3Confident81.3Confident14 Ų1474.7 Ų74.77%0.07340%0.395CS..  trans-76.2154.3-175.4-66.8174.7000111.8W20 S24 L28 I207 E211W20-L26 HydrophobicContact CH2-CD1 4.28Å; W20-L26 HydrophobicContact CZ2-CD1 3.45Å; W20-L26 VanDerWaalsContact CZ2-CD1 3.45Å; S24-L26 PolarHBondContact O-N 2.99Å; S24-L26 WeakPolarHBondContact OG-CB 3.46Å; S24-L26 VanDerWaalsContact OG-CD1 3.27Å; S24-L26 WeakPolarHBondContact OG-CD1 3.41Å; S24-L26 WeakPolarHBondContact OG-CG 3.32Å; L26-L28 PolarHBondContact O-N 3.15Å; L26-L28 VanDerWaalsContact O-N 3.16Å; L26-I207 HydrophobicContact CB-CG2 4.46Å; L26-I207 HydrophobicContact CD1-CG2 3.67Å; L26-I207 HydrophobicContact CD2-CG2 3.57Å; L26-I207 HydrophobicContact CG-CG2 4.08Å; L26-E211 HydrophobicContact CD2-CG 4.33Å
27P87.6Confident79.2Confident72 Ų7272.9 Ų72.947%0.46839%0.393SS..SBendtrans-72.71.7176.531.8-37.5000113.8Y58 I207 L227P27-Y58 WeakPolarHBondContact O-CB 3.29Å; P27-I207 HydrophobicContact CG-CD1 4.16Å; P27-L227 HydrophobicContact CB-CD1 4.03Å; P27-L227 HydrophobicContact CG-CD1 3.64Å
28L92.3Very high77.2Confident1 Ų179 Ų791%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-97.9140.6178.4-57.2-176.5000110.3L21 L26 V56 Y58 P203 L204 I207 L227L21-L28 HydrophobicContact CD2-CB 3.69Å; L21-L28 HydrophobicContact CD2-CD1 4.37Å; L26-L28 PolarHBondContact O-N 3.15Å; L26-L28 VanDerWaalsContact O-N 3.16Å; L28-V56 HydrophobicContact CD2-CG2 4.41Å; L28-Y58 HydrophobicContact CD2-CD1 3.78Å; L28-Y58 HydrophobicContact CD2-CG 3.84Å; L28-P203 HydrophobicContact CD2-CB 4.46Å; L28-L204 HydrophobicContact CD1-CD2 3.91Å; L28-I207 HydrophobicContact CD1-CB 4.24Å; L28-I207 HydrophobicContact CD1-CG1 4.02Å; L28-I207 HydrophobicContact CD1-CG2 4.32Å; L28-I207 HydrophobicContact CG-CG1 4.39Å; L28-L227 HydrophobicContact CD2-CD1 3.66Å
29K90.9Very high75.5Confident96 Ų9680 Ų8042%0.41745%0.448SS..EExtended strand (participates in β ladder)trans-122.4132.9175.9-61.2-61.8175.3-160.40109.6A31 Y42 V56 H57K29-A31 PolarHBondContact O-N 2.99Å; K29-Y42 HydrophobicContact CB-CE1 4.11Å; K29-Y42 HydrophobicContact CG-CE1 3.83Å; K29-Y42 WeakPolarHBondContact CG-OH 3.19Å; K29-V56 CarbonylContact O-C 3.56Å; K29-V56 WeakPolarHBondContact O-CA 3.37Å; K29-V56 WeakPolarHBondContact O-CB 3.42Å; K29-H57 PolarHBondContact N-O 3.41Å; K29-H57 PolarHBondContact O-N 3.11Å
30F89.5Confident74Confident44 Ų4475.6 Ų75.619%0.19343%0.434CS..EExtended strand (participates in β ladder)trans-64.3131.4179.6-173.5-110.1000110.2I14 L17 H18 L21 A32I14-F30 HydrophobicContact CG2-CE2 4.03Å; I14-F30 HydrophobicContact CG2-CZ 3.74Å; L17-F30 HydrophobicContact CD2-CD2 4.38Å; L17-F30 HydrophobicContact CD2-CE2 4.22Å; L17-F30 HydrophobicContact CG-CD2 4.19Å; L17-F30 HydrophobicContact CG-CE2 4.28Å; H18-F30 HydrophobicContact CB-CD1 3.97Å; H18-F30 HydrophobicContact CB-CD2 3.96Å; H18-F30 HydrophobicContact CB-CE1 3.98Å; H18-F30 HydrophobicContact CB-CE2 3.95Å; H18-F30 HydrophobicContact CB-CG 3.98Å; H18-F30 HydrophobicContact CB-CZ 3.97Å; H18-F30 AromaticContact CD2-CD1 3.54Å; H18-F30 AromaticContact CD2-CG 3.77Å; H18-F30 AromaticContact CG-CD1 3.62Å; H18-F30 AromaticContact CG-CE1 3.84Å; H18-F30 AromaticContact CG-CG 3.97Å; H18-F30 AromaticContact NE2-CD1 3.99Å; L21-F30 HydrophobicContact CD1-CB 3.83Å; L21-F30 HydrophobicContact CD1-CD2 4.1Å; L21-F30 HydrophobicContact CD1-CG 4.47Å; F30-A32 HydrophobicContact CD1-CB 3.74Å; F30-A32 HydrophobicContact CE1-CB 3.93Å; F30-A32 PolarHBondContact O-N 3.01Å; F30-A32 VanDerWaalsContact O-N 3.15Å
31A87.4Confident73.3Confident5 Ų579.8 Ų79.84%0.04146%0.459CS..  trans-87.374.6179.400000109.7K29 G33 P54 L55 H57K29-A31 PolarHBondContact O-N 2.99Å; A31-G33 PolarHBondContact O-N 2.96Å; A31-P54 HydrophobicContact CB-CB 3.47Å; A31-P54 VanDerWaalsContact CB-CB 3.47Å; A31-L55 PolarHBondContact N-O 3.01Å; A31-H57 VanDerWaalsContact CB-NE2 3.28Å; A31-H57 WeakPolarHBondContact CB-NE2 3.05Å
32A67.2Low73.1Confident62 Ų6283.4 Ų83.451%0.51247%0.473SS..  trans-72.177.1-171.400000113.4F30 D34F30-A32 HydrophobicContact CD1-CB 3.74Å; F30-A32 HydrophobicContact CE1-CB 3.93Å; F30-A32 PolarHBondContact O-N 3.01Å; F30-A32 VanDerWaalsContact O-N 3.15Å; A32-D34 PolarHBondContact O-N 2.64Å
33G59.3Low73.4Confident73 Ų7382.5 Ų82.575%0.75347%0.468SS*.SBendtrans54.616.3179.200000113.9A31 T35A31-G33 PolarHBondContact O-N 2.96Å; G33-T35 PolarHBondContact O-N 3.13Å
34D53.5Low73.8Confident72 Ų7279.1 Ų79.139%0.38545%0.446SS..  trans-82.389-166.4-152.6-9000107.2A32 K36 D37A32-D34 PolarHBondContact O-N 2.64Å; D34-K36 PolarHBondContact O-N 3.11Å; D34-D37 PolarHBondContact OD1-N 3.5Å
35T49.6Very low74.7Confident132 Ų13280 Ų8081%0.8145%0.451SS*.  trans-69.182.4168.652.70000107.7G33G33-T35 PolarHBondContact O-N 3.13Å
36K45Very low75.4Confident190 Ų19070.4 Ų70.483%0.82641%0.406SS*.  trans51.670.7167.7-57.7178.9178.6-179.70113.6D34 P38D34-K36 PolarHBondContact O-N 3.11Å; K36-P38 WeakPolarHBondContact O-CD 3.27Å; K36-P38 VanDerWaalsContact O-N 3.15Å
37D51.6Low76Confident68 Ų6873.3 Ų73.336%0.36442%0.417SS..  trans-60.2112.1149.1-179.6-1.2000107.7D34 S39 C40D34-D37 PolarHBondContact OD1-N 3.5Å; D37-S39 PolarHBondContact O-N 3.31Å; D37-S39 VanDerWaalsContact OD1-CB 3.23Å; D37-S39 WeakPolarHBondContact OD1-CB 3.44Å; D37-S39 PolarHBondContact OD1-N 2.97Å; D37-S39 PolarHBondContact OD1-OG 3.46Å; D37-S39 VanDerWaalsContact OD1-OG 3.07Å; D37-S39 PolarHBondContact OD2-OG 3.38Å; D37-C40 HydrophobicContact CB-CB 4.47Å; D37-C40 WeakPolarHBondContact O-CB 3.33Å; D37-C40 PolarHBondContact O-N 3.03Å
38P53.3Low76.4Confident130 Ų13070 Ų7084%0.84440%0.395SS*.THydrogen-bonded Turntrans-63-14.9-179.7-16.831.7000112.9K36 C40K36-P38 WeakPolarHBondContact O-CD 3.27Å; K36-P38 VanDerWaalsContact O-N 3.15Å; P38-C40 VanDerWaalsContact C-N 3.29Å
39S57.5Low76.7Confident92 Ų9269.9 Ų69.964%0.64339%0.394SS*.THydrogen-bonded Turntrans-73.2-22.2175.3910000112.9D37 N41D37-S39 PolarHBondContact O-N 3.31Å; D37-S39 VanDerWaalsContact OD1-CB 3.23Å; D37-S39 WeakPolarHBondContact OD1-CB 3.44Å; D37-S39 PolarHBondContact OD1-N 2.97Å; D37-S39 PolarHBondContact OD1-OG 3.46Å; D37-S39 VanDerWaalsContact OD1-OG 3.07Å; D37-S39 PolarHBondContact OD2-OG 3.38Å; S39-N41 PolarHBondContact O-N 2.94Å; S39-N41 VanDerWaalsContact O-N 3.17Å
40C62.5Low76.9Confident49 Ų4965.3 Ų65.333%0.33138%0.375SS..  trans-83.590.3-178.9-83.20000111.6D37 P38 Y42D37-C40 HydrophobicContact CB-CB 4.47Å; D37-C40 WeakPolarHBondContact O-CB 3.33Å; D37-C40 PolarHBondContact O-N 3.03Å; P38-C40 VanDerWaalsContact C-N 3.29Å; C40-Y42 HydrophobicContact CB-CD2 3.83Å; C40-Y42 HydrophobicContact CB-CE2 3.56Å; C40-Y42 PolarHBondContact O-N 2.98Å; C40-Y42 VanDerWaalsContact O-N 3.09Å
41N81.4Confident77.2Confident115 Ų11563.9 Ų63.962%0.61537%0.369SS*.  trans-7886.5176.2-171.814.4000111.4S39 K59S39-N41 PolarHBondContact O-N 2.94Å; S39-N41 VanDerWaalsContact O-N 3.17Å; N41-K59 WeakPolarHBondContact O-CE 3.44Å
42Y89Confident77.5Confident81 Ų8167 Ų6732%0.31838%0.38SS..  trans-112.4144.9171.3-59.8-73.5000110.7K29 C40 H57 K59K29-Y42 HydrophobicContact CB-CE1 4.11Å; K29-Y42 HydrophobicContact CG-CE1 3.83Å; K29-Y42 WeakPolarHBondContact CG-OH 3.19Å; C40-Y42 HydrophobicContact CB-CD2 3.83Å; C40-Y42 HydrophobicContact CB-CE2 3.56Å; C40-Y42 PolarHBondContact O-N 2.98Å; C40-Y42 VanDerWaalsContact O-N 3.09Å; Y42-H57 HydrophobicContact CD1-CB 3.79Å; Y42-H57 HydrophobicContact CD2-CB 3.42Å; Y42-H57 VanDerWaalsContact CD2-CB 3.42Å; Y42-H57 AromaticContact CD2-CG 3.77Å; Y42-H57 HydrophobicContact CE1-CB 4.13Å; Y42-H57 HydrophobicContact CE2-CB 3.77Å; Y42-H57 HydrophobicContact CG-CB 3.44Å; Y42-H57 VanDerWaalsContact CG-CB 3.44Å; Y42-K59 HydrophobicContact CD1-CG 4.43Å
43D93.5Very high78.8Confident90 Ų9069.1 Ų69.148%0.48138%0.382SS..SBendtrans-86.3-29.6-178.2-58-53.6000112.1Y58 K59 Q60D43-Y58 PolarHBondContact N-O 3.38Å; D43-Y58 VanDerWaalsContact N-O 3.15Å; D43-K59 WeakPolarHBondContact OD2-CA 3.12Å; D43-Q60 HydrophobicContact CB-CB 4.43Å; D43-Q60 PolarHBondContact OD2-N 3.44Å
44Y95.6Very high80.5Confident54 Ų5467.9 Ų67.921%0.21236%0.361CS..EExtended strand (participates in β ladder)trans-136.9149.7-174.7-64.3-87.6000111.8H57 Y58 Q60 P200 G229Y44-H57 WeakPolarHBondContact O-CA 3.41Å; Y44-Y58 WeakPolarHBondContact CB-OH 3.41Å; Y44-Y58 HydrophobicContact CD2-CD2 4.34Å; Y44-Y58 AromaticContact CD2-CE2 3.79Å; Y44-Y58 HydrophobicContact CD2-CE2 3.79Å; Y44-Y58 AromaticContact CG-CE2 3.8Å; Y44-Y58 HydrophobicContact CG-CE2 3.8Å; Y44-Y58 AromaticContact CG-CZ 3.89Å; Y44-Y58 PolarHBondContact N-O 3.32Å; Y44-Y58 VanDerWaalsContact N-O 3.09Å; Y44-Y58 PolarHBondContact O-N 3.39Å; Y44-Q60 HydrophobicContact CE2-CB 4.04Å; Y44-Q60 PolarHBondContact OH-OE1 3.37Å; Y44-P200 HydrophobicContact CD1-CB 3.8Å; Y44-P200 HydrophobicContact CE1-CB 4.03Å; Y44-P200 HydrophobicContact CE1-CG 4.25Å; Y44-G229 VanDerWaalsContact OH-CA 3.25Å; Y44-G229 WeakPolarHBondContact OH-CA 3.42Å; Y44-G229 PolarHBondContact OH-N 2.89Å
45T95.7Very high82.5Confident38 Ų3864.7 Ų64.723%0.23334%0.344CS..EExtended strand (participates in β ladder)trans-129.4129.4169-55.10000107.9Y47 P54 V56 H57T45-Y47 HydrophobicContact CG2-CD2 4.34Å; T45-Y47 HydrophobicContact CG2-CE1 4.05Å; T45-Y47 HydrophobicContact CG2-CE2 3.79Å; T45-Y47 WeakPolarHBondContact O-CE2 3.13Å; T45-P54 HydrophobicContact CG2-CB 3.88Å; T45-V56 CarbonylContact C-O 3.57Å; T45-V56 VanDerWaalsContact CA-O 3.31Å; T45-V56 WeakPolarHBondContact CA-O 3.23Å; T45-H57 PolarHBondContact OG1-CE1 3.23Å; T45-H57 PolarHBondContact OG1-ND1 3.17Å
46S96.3Very high84.7Confident0 Ų058.4 Ų58.40%031%0.305CS..EExtended strand (participates in β ladder)trans-92.2153163.775.80000110.1L55 V56S46-L55 PolarHBondContact O-N 2.78Å; S46-V56 PolarHBondContact N-O 3.32Å; S46-V56 WeakPolarHBondContact OG-CG2 3.42Å
47Y97.1Very high87Confident76 Ų7650.6 Ų50.630%0.29827%0.272SS..EExtended strand (participates in β ladder)trans-128.5146.4-174-63.3-95.2000108.9T45 P49 W52 L53 P54T45-Y47 HydrophobicContact CG2-CD2 4.34Å; T45-Y47 HydrophobicContact CG2-CE1 4.05Å; T45-Y47 HydrophobicContact CG2-CE2 3.79Å; T45-Y47 WeakPolarHBondContact O-CE2 3.13Å; Y47-P49 WeakPolarHBondContact O-CD 3.11Å; Y47-W52 HydrophobicContact CD1-CD2 4.43Å; Y47-W52 HydrophobicContact CD2-CH2 4.23Å; Y47-W52 HydrophobicContact CD2-CZ2 4.4Å; Y47-W52 HydrophobicContact CG-CD2 4.39Å; Y47-W52 HydrophobicContact CG-CE3 4.32Å; Y47-W52 HydrophobicContact CG-CH2 4.28Å; Y47-W52 HydrophobicContact CG-CZ2 4.38Å; Y47-W52 HydrophobicContact CG-CZ3 4.25Å; Y47-L53 WeakPolarHBondContact CA-O 3.18Å; Y47-P54 HydrophobicContact CD1-CG 4.21Å; Y47-P54 HydrophobicContact CE1-CB 4.41Å; Y47-P54 HydrophobicContact CE1-CG 3.89Å
48D96.9Very high89.1Confident1 Ų147.4 Ų47.41%0.00526%0.255CS..  trans-70.2112.3167.3168.1-0.4000108.5R10 S50 T51 W52 L53 L55 L112R10-D48 IonicContact CZ-OD2 3.26Å; R10-D48 VanDerWaalsContact NH1-CG 3.34Å; R10-D48 IonicContact NH1-OD1 2.84Å; R10-D48 PolarHBondContact NH1-OD1 3.43Å; R10-D48 IonicContact NH1-OD2 2.81Å; R10-D48 PolarHBondContact NH1-OD2 2.89Å; D48-S50 PolarHBondContact O-N 3.49Å; D48-S50 WeakPolarHBondContact OD1-CB 3.27Å; D48-S50 PolarHBondContact OD1-N 3.4Å; D48-S50 PolarHBondContact OD1-OG 2.7Å; D48-S50 PolarHBondContact OD2-OG 2.92Å; D48-T51 WeakPolarHBondContact CB-OG1 3.41Å; D48-T51 PolarHBondContact O-N 3.05Å; D48-T51 WeakPolarHBondContact OD2-CG2 3.17Å; D48-T51 PolarHBondContact OD2-OG1 2.96Å; D48-W52 WeakPolarHBondContact O-CA 3.42Å; D48-W52 PolarHBondContact O-N 3.24Å; D48-L53 PolarHBondContact N-O 3.02Å; D48-L55 HydrophobicContact CB-CD1 3.97Å; D48-L55 HydrophobicContact CB-CD2 4.03Å; D48-L55 HydrophobicContact CB-CG 3.93Å; D48-L112 WeakPolarHBondContact CA-O 3.41Å
49P97.6Very high91.1Very high0 Ų046.7 Ų46.70%024%0.238CC..THydrogen-bonded Turntrans-63.5-22.3-173.5-25.537.8000113.5Y47 L112 D113 A346 L347 I348 N388Y47-P49 WeakPolarHBondContact O-CD 3.11Å; P49-L112 WeakPolarHBondContact CD-O 3.41Å; P49-D113 WeakPolarHBondContact CG-O 3.34Å; P49-A346 HydrophobicContact CB-CB 4.11Å; P49-A346 WeakPolarHBondContact O-CB 3.29Å; P49-L347 WeakPolarHBondContact CB-O 3.41Å; P49-I348 HydrophobicContact CG-CD1 3.92Å; P49-N388 WeakPolarHBondContact O-CB 3.29Å; P49-N388 PolarHBondContact O-ND2 3.35Å; P49-N388 VanDerWaalsContact O-ND2 3.08Å
50S95.8Very high93Very high0 Ų044.2 Ų44.20%022%0.216CC..THydrogen-bonded Turntrans-81.8-28.1-178.566.70000113.8R10 D48 L384 N385 F389R10-S50 PolarHBondContact NH1-OG 2.8Å; R10-S50 PolarHBondContact NH2-OG 2.84Å; D48-S50 PolarHBondContact O-N 3.49Å; D48-S50 WeakPolarHBondContact OD1-CB 3.27Å; D48-S50 PolarHBondContact OD1-N 3.4Å; D48-S50 PolarHBondContact OD1-OG 2.7Å; D48-S50 PolarHBondContact OD2-OG 2.92Å; S50-L384 CarbonylContact O-C 3.38Å; S50-L384 WeakPolarHBondContact O-CA 3.4Å; S50-L384 WeakPolarHBondContact O-CD2 3.19Å; S50-N385 PolarHBondContact O-N 3.23Å; S50-F389 WeakPolarHBondContact O-CE2 3.28Å
51T94.6Very high94.7Very high14 Ų1443 Ų439%0.08621%0.207CC..THydrogen-bonded Turntrans-114.8-16.4-179.663.80000113.2D48 L53D48-T51 WeakPolarHBondContact CB-OG1 3.41Å; D48-T51 PolarHBondContact O-N 3.05Å; D48-T51 WeakPolarHBondContact OD2-CG2 3.17Å; D48-T51 PolarHBondContact OD2-OG1 2.96Å; T51-L53 PolarHBondContact O-N 3.27Å; T51-L53 PolarHBondContact OG1-N 3.03Å
52W95.1Very high95.5Very high71 Ų7141.6 Ų41.627%0.26920%0.203SC..  trans57.220.7-169.7-155.2-119.9000114.5Y47 D48 P350 N385Y47-W52 HydrophobicContact CD1-CD2 4.43Å; Y47-W52 HydrophobicContact CD2-CH2 4.23Å; Y47-W52 HydrophobicContact CD2-CZ2 4.4Å; Y47-W52 HydrophobicContact CG-CD2 4.39Å; Y47-W52 HydrophobicContact CG-CE3 4.32Å; Y47-W52 HydrophobicContact CG-CH2 4.28Å; Y47-W52 HydrophobicContact CG-CZ2 4.38Å; Y47-W52 HydrophobicContact CG-CZ3 4.25Å; D48-W52 WeakPolarHBondContact O-CA 3.42Å; D48-W52 PolarHBondContact O-N 3.24Å; W52-P350 HydrophobicContact CD2-CG 4.05Å; W52-P350 HydrophobicContact CE3-CG 4.43Å; W52-P350 HydrophobicContact CH2-CG 4.37Å; W52-P350 VanDerWaalsContact CZ2-CD 3.4Å; W52-P350 HydrophobicContact CZ2-CG 3.95Å; W52-N385 HydrophobicContact CB-CB 3.72Å; W52-N385 WeakPolarHBondContact CB-ND2 3.26Å
53L94.3Very high95.9Very high106 Ų10644.6 Ų44.656%0.55522%0.215SC*.  trans-79.6139.8172.8-64.3176000110.2Y47 D48 T51 L55Y47-L53 WeakPolarHBondContact CA-O 3.18Å; D48-L53 PolarHBondContact N-O 3.02Å; T51-L53 PolarHBondContact O-N 3.27Å; T51-L53 PolarHBondContact OG1-N 3.03Å; L53-L55 PolarHBondContact O-N 3.37Å
54P95Very high96.2Very high47 Ų4744.2 Ų44.231%0.30522%0.219SC..EExtended strand (participates in β ladder)trans-55.2134.7172.2-26.135.2000112A31 T45 Y47A31-P54 HydrophobicContact CB-CB 3.47Å; A31-P54 VanDerWaalsContact CB-CB 3.47Å; T45-P54 HydrophobicContact CG2-CB 3.88Å; Y47-P54 HydrophobicContact CD1-CG 4.21Å; Y47-P54 HydrophobicContact CE1-CB 4.41Å; Y47-P54 HydrophobicContact CE1-CG 3.89Å
55L95.3Very high96.3Very high5 Ų546.8 Ų46.83%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-101.4-59.9175.2-73.1174.3000111.3L17 A31 S46 D48 L53 L112 L204L17-L55 HydrophobicContact CD2-CD2 4.07Å; A31-L55 PolarHBondContact N-O 3.01Å; S46-L55 PolarHBondContact O-N 2.78Å; D48-L55 HydrophobicContact CB-CD1 3.97Å; D48-L55 HydrophobicContact CB-CD2 4.03Å; D48-L55 HydrophobicContact CB-CG 3.93Å; L53-L55 PolarHBondContact O-N 3.37Å; L55-L112 HydrophobicContact CD1-CB 4.02Å; L55-L112 WeakPolarHBondContact CD1-O 3.31Å; L55-L112 HydrophobicContact CD2-CD2 4.37Å; L55-L204 HydrophobicContact CD1-CD1 4.5Å
56V95.5Very high96.4Very high0 Ų045.1 Ų45.10%022%0.218CC..EExtended strand (participates in β ladder)trans-139.7146.7-179.4-63.60000112.7L21 L28 K29 T45 S46 Y58 P203 L204L21-V56 HydrophobicContact CD1-CG1 3.46Å; L21-V56 VanDerWaalsContact CD1-CG1 3.46Å; L28-V56 HydrophobicContact CD2-CG2 4.41Å; K29-V56 CarbonylContact O-C 3.56Å; K29-V56 WeakPolarHBondContact O-CA 3.37Å; K29-V56 WeakPolarHBondContact O-CB 3.42Å; T45-V56 CarbonylContact C-O 3.57Å; T45-V56 VanDerWaalsContact CA-O 3.31Å; T45-V56 WeakPolarHBondContact CA-O 3.23Å; S46-V56 PolarHBondContact N-O 3.32Å; S46-V56 WeakPolarHBondContact OG-CG2 3.42Å; V56-Y58 HydrophobicContact CG2-CD1 4.44Å; V56-P203 HydrophobicContact CG2-CG 4.08Å; V56-L204 HydrophobicContact CG1-CD2 3.83Å; V56-L204 HydrophobicContact CG2-CD2 3.88Å
57H94.1Very high96.6Very high26 Ų2648.5 Ų48.512%0.1224%0.237CC..EExtended strand (participates in β ladder)trans-103.9147166.7-57.5-60.9000110.8K29 A31 Y42 Y44 T45K29-H57 PolarHBondContact N-O 3.41Å; K29-H57 PolarHBondContact O-N 3.11Å; A31-H57 VanDerWaalsContact CB-NE2 3.28Å; A31-H57 WeakPolarHBondContact CB-NE2 3.05Å; Y42-H57 HydrophobicContact CD1-CB 3.79Å; Y42-H57 HydrophobicContact CD2-CB 3.42Å; Y42-H57 VanDerWaalsContact CD2-CB 3.42Å; Y42-H57 AromaticContact CD2-CG 3.77Å; Y42-H57 HydrophobicContact CE1-CB 4.13Å; Y42-H57 HydrophobicContact CE2-CB 3.77Å; Y42-H57 HydrophobicContact CG-CB 3.44Å; Y42-H57 VanDerWaalsContact CG-CB 3.44Å; Y44-H57 WeakPolarHBondContact O-CA 3.41Å; T45-H57 PolarHBondContact OG1-CE1 3.23Å; T45-H57 PolarHBondContact OG1-ND1 3.17Å
58Y94.9Very high96.6Very high1 Ų148.9 Ų48.90%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-156.9162.4172.959.5-84.9000112P27 L28 D43 Y44 V56 P200 P203 L227P27-Y58 WeakPolarHBondContact O-CB 3.29Å; L28-Y58 HydrophobicContact CD2-CD1 3.78Å; L28-Y58 HydrophobicContact CD2-CG 3.84Å; D43-Y58 PolarHBondContact N-O 3.38Å; D43-Y58 VanDerWaalsContact N-O 3.15Å; Y44-Y58 WeakPolarHBondContact CB-OH 3.41Å; Y44-Y58 HydrophobicContact CD2-CD2 4.34Å; Y44-Y58 AromaticContact CD2-CE2 3.79Å; Y44-Y58 HydrophobicContact CD2-CE2 3.79Å; Y44-Y58 AromaticContact CG-CE2 3.8Å; Y44-Y58 HydrophobicContact CG-CE2 3.8Å; Y44-Y58 AromaticContact CG-CZ 3.89Å; Y44-Y58 PolarHBondContact N-O 3.32Å; Y44-Y58 VanDerWaalsContact N-O 3.09Å; Y44-Y58 PolarHBondContact O-N 3.39Å; V56-Y58 HydrophobicContact CG2-CD1 4.44Å; Y58-P200 VanDerWaalsContact OH-C 3.27Å; Y58-P200 WeakPolarHBondContact OH-CA 3.46Å; Y58-P200 WeakPolarHBondContact OH-CB 3.41Å; Y58-P200 PolarHBondContact OH-O 3.21Å; Y58-P203 HydrophobicContact CE1-CB 4.41Å; Y58-P203 HydrophobicContact CE1-CG 3.98Å; Y58-L227 HydrophobicContact CD2-CB 3.78Å; Y58-L227 HydrophobicContact CD2-CD1 3.92Å; Y58-L227 HydrophobicContact CD2-CG 4.36Å; Y58-L227 HydrophobicContact CE2-CB 3.9Å; Y58-L227 HydrophobicContact CG-CD1 4.18Å
59K95.3Very high96.7Very high115 Ų11549.3 Ų49.350%0.524%0.243SC..PPolyproline II helixtrans-93.5149.2172.9-70.4-176.3172.2179.70110.8N41 Y42 D43 T61N41-K59 WeakPolarHBondContact O-CE 3.44Å; Y42-K59 HydrophobicContact CD1-CG 4.43Å; D43-K59 WeakPolarHBondContact OD2-CA 3.12Å; K59-T61 PolarHBondContact O-N 2.83Å
60Q97.5Very high96.8Very high40 Ų4049.3 Ų49.319%0.18724%0.243CC..PPolyproline II helixtrans-58.5137.4165.4-171.7148-78.400109.5D43 Y44 T62 L227 I232D43-Q60 HydrophobicContact CB-CB 4.43Å; D43-Q60 PolarHBondContact OD2-N 3.44Å; Y44-Q60 HydrophobicContact CE2-CB 4.04Å; Y44-Q60 PolarHBondContact OH-OE1 3.37Å; Q60-T62 PolarHBondContact O-N 3.06Å; Q60-L227 WeakPolarHBondContact CA-O 3.16Å; Q60-I232 HydrophobicContact CG-CB 4.03Å; Q60-I232 HydrophobicContact CG-CG2 4.13Å
61T98Very high96.9Very high22 Ų2252.4 Ų52.414%0.13526%0.259CS..PPolyproline II helixtrans-61.2127.2167.9-58.70000109K59 R65 L66 M69 V226 L227 I232K59-T61 PolarHBondContact O-N 2.83Å; T61-R65 HydrophobicContact CG2-CB 3.96Å; T61-R65 HydrophobicContact CG2-CG 3.84Å; T61-L66 HydrophobicContact CG2-CB 4.5Å; T61-M69 HydrophobicContact CG2-SD 3.88Å; T61-V226 HydrophobicContact CG2-CG1 4.29Å; T61-L227 PolarHBondContact N-O 2.92Å; T61-L227 PolarHBondContact OG1-N 3.35Å; T61-L227 PolarHBondContact OG1-O 2.88Å; T61-I232 WeakPolarHBondContact O-CD1 3.38Å; T61-I232 WeakPolarHBondContact O-CG1 3.5Å
62T97.9Very high97.1Very high87 Ų8753.9 Ų53.953%0.53427%0.266SS..PPolyproline II helixtrans-72.9157.8179.265.80000111Q60 S64 R65 L66Q60-T62 PolarHBondContact O-N 3.06Å; T62-S64 VanDerWaalsContact C-N 3.31Å; T62-S64 PolarHBondContact O-N 3.42Å; T62-R65 PolarHBondContact O-N 2.71Å; T62-R65 VanDerWaalsContact O-N 3.12Å; T62-R65 VanDerWaalsContact OG1-CB 3.29Å; T62-R65 WeakPolarHBondContact OG1-CB 3.45Å; T62-R65 PolarHBondContact OG1-N 2.83Å; T62-L66 PolarHBondContact O-N 3.49Å
63Y98.5Very high97.3Very high144 Ų14450.5 Ų50.557%0.56525%0.253SS*.Hα-helixtrans-60.9-39.3176.9-59.9-51.8000112.9R65 L66 D67 I232 A235Y63-R65 VanDerWaalsContact C-N 3.31Å; Y63-R65 PolarHBondContact O-N 3.45Å; Y63-L66 PolarHBondContact O-N 2.88Å; Y63-D67 PolarHBondContact O-N 3.07Å; Y63-I232 HydrophobicContact CD1-CD1 3.86Å; Y63-I232 HydrophobicContact CE1-CD1 4.05Å; Y63-A235 HydrophobicContact CD1-CB 3.7Å; Y63-A235 HydrophobicContact CE1-CB 3.49Å; Y63-A235 VanDerWaalsContact CE1-CB 3.49Å
64S98.4Very high97.5Very high82 Ų8247.2 Ų47.257%0.57324%0.239SC*.Hα-helixtrans-61-41.8174-171.40000111.4T62 D67 E68T62-S64 VanDerWaalsContact C-N 3.31Å; T62-S64 PolarHBondContact O-N 3.42Å; S64-D67 PolarHBondContact O-N 2.94Å; S64-E68 PolarHBondContact O-N 2.9Å; S64-E68 VanDerWaalsContact O-N 3.16Å
65R98.3Very high97.7Very high107 Ų10751 Ų5140%0.40425%0.251SS..Hα-helixtrans-67.8-39.2177.7-178.556.5-179.4170.41.4111.7T61 T62 Y63 D67 E68 M69T61-R65 HydrophobicContact CG2-CB 3.96Å; T61-R65 HydrophobicContact CG2-CG 3.84Å; T62-R65 PolarHBondContact O-N 2.71Å; T62-R65 VanDerWaalsContact O-N 3.12Å; T62-R65 VanDerWaalsContact OG1-CB 3.29Å; T62-R65 WeakPolarHBondContact OG1-CB 3.45Å; T62-R65 PolarHBondContact OG1-N 2.83Å; Y63-R65 VanDerWaalsContact C-N 3.31Å; Y63-R65 PolarHBondContact O-N 3.45Å; R65-D67 VanDerWaalsContact C-N 3.3Å; R65-D67 PolarHBondContact O-N 2.9Å; R65-E68 WeakPolarHBondContact CD-OE2 3.42Å; R65-E68 IonicContact CZ-OE2 3.44Å; R65-E68 IonicContact NH1-OE2 3.13Å; R65-E68 PolarHBondContact NH1-OE2 2.8Å; R65-E68 PolarHBondContact O-N 2.76Å; R65-M69 HydrophobicContact CG-CG 4.34Å; R65-M69 HydrophobicContact CG-SD 4.01Å; R65-M69 WeakPolarHBondContact O-CB 3.45Å; R65-M69 WeakPolarHBondContact O-CG 3.45Å; R65-M69 PolarHBondContact O-N 2.9Å
66L98.7Very high97.9Very high4 Ų450.9 Ų50.92%0.02125%0.251CS..Hα-helixtrans-59-41.2174.7172.763000111.8T61 T62 Y63 M69 A70 V226 I232 A235 L236T61-L66 HydrophobicContact CG2-CB 4.5Å; T62-L66 PolarHBondContact O-N 3.49Å; Y63-L66 PolarHBondContact O-N 2.88Å; L66-M69 WeakPolarHBondContact O-CB 3.46Å; L66-M69 PolarHBondContact O-N 2.93Å; L66-A70 WeakPolarHBondContact O-CB 3.21Å; L66-A70 PolarHBondContact O-N 3.47Å; L66-V226 HydrophobicContact CD1-CG2 3.86Å; L66-I232 HydrophobicContact CB-CD1 4.21Å; L66-I232 HydrophobicContact CD2-CD1 3.84Å; L66-A235 HydrophobicContact CD2-CB 3.84Å; L66-L236 HydrophobicContact CD1-CB 4.41Å; L66-L236 HydrophobicContact CD1-CD1 3.83Å; L66-L236 HydrophobicContact CD2-CB 4.38Å
67D98.8Very high98Very high71 Ų7151.2 Ų51.238%0.3825%0.252SS..Hα-helixtrans-62.8-47.5176.3-175.670000112Y63 S64 R65 M69 A70 I71 H239Y63-D67 PolarHBondContact O-N 3.07Å; S64-D67 PolarHBondContact O-N 2.94Å; R65-D67 VanDerWaalsContact C-N 3.3Å; R65-D67 PolarHBondContact O-N 2.9Å; D67-M69 VanDerWaalsContact C-N 3.31Å; D67-M69 PolarHBondContact O-N 2.66Å; D67-A70 PolarHBondContact O-N 3.12Å; D67-A70 VanDerWaalsContact O-N 3.15Å; D67-I71 WeakPolarHBondContact O-CG1 3.35Å; D67-I71 PolarHBondContact O-N 2.85Å; D67-I71 WeakPolarHBondContact OD2-CD1 3.49Å; D67-H239 WeakPolarHBondContact CA-NE2 3.37Å; D67-H239 IonicContact OD1-CE1 2.8Å; D67-H239 IonicContact OD1-NE2 3.81Å; D67-H239 PolarHBondContact OD1-NE2 2.97Å
68E98.7Very high98.2Very high84 Ų8455.9 Ų55.939%0.39327%0.272SS..Hα-helixtrans-56.4-45.2173.3-69.6170.7-163.600112.1S64 R65 A70 I71 N72S64-E68 PolarHBondContact O-N 2.9Å; S64-E68 VanDerWaalsContact O-N 3.16Å; R65-E68 WeakPolarHBondContact CD-OE2 3.42Å; R65-E68 IonicContact CZ-OE2 3.44Å; R65-E68 IonicContact NH1-OE2 3.13Å; R65-E68 PolarHBondContact NH1-OE2 2.8Å; R65-E68 PolarHBondContact O-N 2.76Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 2.95Å; E68-I71 PolarHBondContact O-N 3.37Å; E68-N72 WeakPolarHBondContact O-CB 3.43Å; E68-N72 PolarHBondContact O-N 2.82Å; E68-N72 PolarHBondContact O-ND2 2.87Å
69M98.7Very high98.4Very high9 Ų961.4 Ų61.44%0.04430%0.298CS..Hα-helixtrans-61-42.6178.4-70.4172.173.600111.1T61 R65 L66 D67 N72 A73 I195 Q224 V225 V226T61-M69 HydrophobicContact CG2-SD 3.88Å; R65-M69 HydrophobicContact CG-CG 4.34Å; R65-M69 HydrophobicContact CG-SD 4.01Å; R65-M69 WeakPolarHBondContact O-CB 3.45Å; R65-M69 WeakPolarHBondContact O-CG 3.45Å; R65-M69 PolarHBondContact O-N 2.9Å; L66-M69 WeakPolarHBondContact O-CB 3.46Å; L66-M69 PolarHBondContact O-N 2.93Å; D67-M69 VanDerWaalsContact C-N 3.31Å; D67-M69 PolarHBondContact O-N 2.66Å; M69-N72 PolarHBondContact O-N 3.24Å; M69-A73 WeakPolarHBondContact O-CB 3.45Å; M69-A73 PolarHBondContact O-N 3.06Å; M69-I195 HydrophobicContact CB-CD1 4.3Å; M69-Q224 VanDerWaalsContact CB-OE1 3.28Å; M69-Q224 HydrophobicContact CE-CB 3.76Å; M69-Q224 HydrophobicContact CE-CG 4.48Å; M69-Q224 VanDerWaalsContact CG-OE1 3.26Å; M69-Q224 PolarHBondContact O-NE2 3.23Å; M69-V225 WeakPolarHBondContact CE-O 3.12Å; M69-V226 HydrophobicContact CE-CG2 3.51Å; M69-V226 HydrophobicContact SD-CG2 3.93Å
70A98.9Very high98.5Very high1 Ų155.9 Ų55.91%0.00827%0.274CS..Hα-helixtrans-65.8-43.8178.300000112.3L66 D67 E68 N72 A73 C74 L166 I195 H239 L241L66-A70 WeakPolarHBondContact O-CB 3.21Å; L66-A70 PolarHBondContact O-N 3.47Å; D67-A70 PolarHBondContact O-N 3.12Å; D67-A70 VanDerWaalsContact O-N 3.15Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 2.95Å; A70-N72 VanDerWaalsContact C-N 3.34Å; A70-N72 PolarHBondContact O-N 2.89Å; A70-A73 PolarHBondContact O-N 3.24Å; A70-C74 PolarHBondContact O-N 2.96Å; A70-C74 PolarHBondContact O-SG 2.6Å; A70-C74 VanDerWaalsContact O-SG 3.38Å; A70-L166 HydrophobicContact CB-CD2 3.78Å; A70-I195 HydrophobicContact CB-CD1 4.38Å; A70-H239 WeakPolarHBondContact CB-CE1 3.44Å; A70-L241 HydrophobicContact CB-CB 4.27Å; A70-L241 HydrophobicContact CB-CD1 3.94Å
71I98.8Very high98.5Very high64 Ų6456.8 Ų56.833%0.32828%0.28SS..Hα-helixtrans-60.1-46175.2-68.5166.4000110.6D67 E68 C74 K75 L241D67-I71 WeakPolarHBondContact O-CG1 3.35Å; D67-I71 PolarHBondContact O-N 2.85Å; D67-I71 WeakPolarHBondContact OD2-CD1 3.49Å; E68-I71 PolarHBondContact O-N 3.37Å; I71-C74 PolarHBondContact O-N 3.31Å; I71-K75 PolarHBondContact O-N 2.97Å; I71-K75 VanDerWaalsContact O-N 3.15Å; I71-L241 HydrophobicContact CG1-CD1 3.93Å
72N98.8Very high98.4Very high45 Ų4562.1 Ų62.124%0.24131%0.307CS..Hα-helixtrans-66.2-38.2179.3-70.6-25.2000112E68 M69 A70 C74 K75 A76 N221E68-N72 WeakPolarHBondContact O-CB 3.43Å; E68-N72 PolarHBondContact O-N 2.82Å; E68-N72 PolarHBondContact O-ND2 2.87Å; M69-N72 PolarHBondContact O-N 3.24Å; A70-N72 VanDerWaalsContact C-N 3.34Å; A70-N72 PolarHBondContact O-N 2.89Å; N72-C74 VanDerWaalsContact C-N 3.31Å; N72-C74 PolarHBondContact O-N 2.87Å; N72-K75 PolarHBondContact O-N 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.45Å; N72-A76 PolarHBondContact O-N 2.71Å; N72-N221 HydrophobicContact CB-CB 3.87Å
73A98.9Very high98.4Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-62.7-37.9174.500000112M69 A70 A76 Q77 L166 S193 I195M69-A73 WeakPolarHBondContact O-CB 3.45Å; M69-A73 PolarHBondContact O-N 3.06Å; A70-A73 PolarHBondContact O-N 3.24Å; A73-A76 PolarHBondContact O-N 3.37Å; A73-Q77 WeakPolarHBondContact O-CB 3.14Å; A73-Q77 PolarHBondContact O-N 3.1Å; A73-L166 HydrophobicContact CB-CD1 3.75Å; A73-L166 HydrophobicContact CB-CD2 4.34Å; A73-S193 WeakPolarHBondContact O-CB 3.3Å; A73-S193 PolarHBondContact O-OG 3.03Å; A73-I195 HydrophobicContact CB-CD1 4.3Å; A73-I195 HydrophobicContact CB-CG1 4.4Å
74C98.8Very high98.4Very high38 Ų3858 Ų5826%0.25730%0.296SS..Hα-helixtrans-65.2-40.1175.1-70.50000112.1A70 I71 N72 Q77 K78A70-C74 PolarHBondContact O-N 2.96Å; A70-C74 PolarHBondContact O-SG 2.6Å; A70-C74 VanDerWaalsContact O-SG 3.38Å; I71-C74 PolarHBondContact O-N 3.31Å; N72-C74 VanDerWaalsContact C-N 3.31Å; N72-C74 PolarHBondContact O-N 2.87Å; C74-Q77 PolarHBondContact O-N 3.46Å; C74-K78 PolarHBondContact O-N 2.97Å
75K98.7Very high98.3Very high125 Ų12557.9 Ų57.954%0.54329%0.288SS..Hα-helixtrans-65-46.2174.9-67173-175.9170.90111.5I71 N72 Q77 K78 Q79I71-K75 PolarHBondContact O-N 2.97Å; I71-K75 VanDerWaalsContact O-N 3.15Å; N72-K75 PolarHBondContact O-N 3.24Å; K75-Q77 VanDerWaalsContact C-N 3.29Å; K75-Q77 PolarHBondContact O-N 3.2Å; K75-K78 PolarHBondContact O-N 3.39Å; K75-Q79 PolarHBondContact O-N 3.09Å
76A98.7Very high98.3Very high3 Ų357.8 Ų57.83%0.02530%0.295CS..Hα-helixtrans-60.9-38177.400000112.2N72 A73 K78 Q79 W80 P219 E220 N221 L222N72-A76 WeakPolarHBondContact O-CB 3.45Å; N72-A76 PolarHBondContact O-N 2.71Å; A73-A76 PolarHBondContact O-N 3.37Å; A76-K78 VanDerWaalsContact C-N 3.31Å; A76-K78 PolarHBondContact O-N 3.29Å; A76-Q79 PolarHBondContact O-N 3.38Å; A76-W80 WeakPolarHBondContact O-CB 3.34Å; A76-W80 PolarHBondContact O-N 3.16Å; A76-P219 HydrophobicContact CB-CB 4.26Å; A76-E220 VanDerWaalsContact CB-O 3.24Å; A76-E220 WeakPolarHBondContact CB-O 3.44Å; A76-N221 HydrophobicContact CB-CB 4.44Å; A76-L222 HydrophobicContact CB-CB 4.27Å
77Q98.7Very high98.2Very high7 Ų761.3 Ų61.33%0.03331%0.312CS..Hα-helixtrans-60.1-39.2176.3-170.8-83.4-42.200112.5A73 C74 K75 W80 I81 G191A73-Q77 WeakPolarHBondContact O-CB 3.14Å; A73-Q77 PolarHBondContact O-N 3.1Å; C74-Q77 PolarHBondContact O-N 3.46Å; K75-Q77 VanDerWaalsContact C-N 3.29Å; K75-Q77 PolarHBondContact O-N 3.2Å; Q77-W80 PolarHBondContact O-N 2.92Å; Q77-I81 WeakPolarHBondContact O-CG2 3.43Å; Q77-I81 PolarHBondContact O-N 3.2Å; Q77-G191 PolarHBondContact NE2-O 3.13Å
78K98.4Very high98.2Very high124 Ų12458.4 Ų58.454%0.53930%0.296SS..Hα-helixtrans-65.3-47.6177.1-62.5-56.1176.5-159.40111.5C74 K75 A76 W80 I81 D82C74-K78 PolarHBondContact O-N 2.97Å; K75-K78 PolarHBondContact O-N 3.39Å; A76-K78 VanDerWaalsContact C-N 3.31Å; A76-K78 PolarHBondContact O-N 3.29Å; K78-W80 PolarHBondContact O-N 2.97Å; K78-I81 WeakPolarHBondContact O-CG2 3.45Å; K78-I81 PolarHBondContact O-N 3.03Å; K78-D82 PolarHBondContact O-N 3.39Å
79Q98.1Very high98.2Very high117 Ų11754.4 Ų54.455%0.54728%0.277SS..Hα-helixtrans-58.1-38.4174-63.4176.7-1.600111.8K75 A76 P219K75-Q79 PolarHBondContact O-N 3.09Å; A76-Q79 PolarHBondContact O-N 3.38Å; Q79-P219 HydrophobicContact CB-CB 4.28Å; Q79-P219 HydrophobicContact CB-CG 4.13Å
80W98.5Very high98.2Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-69.6-43.5-179.2-177.4-120.1000113.7A76 Q77 K78 D82 L83 R88 I91 L92 L188 P219 L222A76-W80 WeakPolarHBondContact O-CB 3.34Å; A76-W80 PolarHBondContact O-N 3.16Å; Q77-W80 PolarHBondContact O-N 2.92Å; K78-W80 PolarHBondContact O-N 2.97Å; W80-D82 VanDerWaalsContact C-N 3.28Å; W80-D82 PolarHBondContact O-N 3.22Å; W80-L83 HydrophobicContact CE3-CD1 3.6Å; W80-L83 HydrophobicContact CZ3-CD1 3.73Å; W80-L83 PolarHBondContact O-N 3.04Å; W80-R88 HydrophobicContact CD2-CG 4.27Å; W80-R88 HydrophobicContact CE3-CG 4.25Å; W80-R88 HydrophobicContact CH2-CB 3.63Å; W80-R88 HydrophobicContact CH2-CG 3.88Å; W80-R88 HydrophobicContact CZ2-CB 3.62Å; W80-R88 HydrophobicContact CZ2-CG 3.88Å; W80-R88 HydrophobicContact CZ3-CB 4.28Å; W80-R88 HydrophobicContact CZ3-CG 4.06Å; W80-R88 WeakPolarHBondContact O-CD 3.33Å; W80-I91 HydrophobicContact CH2-CB 4.1Å; W80-I91 HydrophobicContact CH2-CD1 4.42Å; W80-I91 HydrophobicContact CH2-CG2 4.08Å; W80-I91 HydrophobicContact CZ3-CB 4.28Å; W80-I91 HydrophobicContact CZ3-CD1 3.83Å; W80-I91 HydrophobicContact CZ3-CG2 4.12Å; W80-L92 HydrophobicContact CH2-CG 4.45Å; W80-L92 HydrophobicContact CZ2-CD2 4.42Å; W80-L92 HydrophobicContact CZ2-CG 4.27Å; W80-L188 PolarHBondContact NE1-O 3.3Å; W80-P219 HydrophobicContact CB-CG 4.27Å; W80-P219 HydrophobicContact CE3-CG 4.16Å; W80-L222 HydrophobicContact CB-CD1 3.64Å; W80-L222 HydrophobicContact CB-CD2 4.19Å; W80-L222 HydrophobicContact CD2-CD1 4.49Å; W80-L222 HydrophobicContact CD2-CD2 3.52Å; W80-L222 HydrophobicContact CE3-CD2 3.8Å; W80-L222 HydrophobicContact CG-CD1 3.77Å; W80-L222 HydrophobicContact CG-CD2 3.69Å; W80-L222 HydrophobicContact CG-CG 4.41Å; W80-L222 HydrophobicContact CZ2-CD2 4.45Å; W80-L222 HydrophobicContact CZ3-CD2 4.38Å
81I96.6Very high98.2Very high59 Ų5960.3 Ų60.330%0.30330%0.303SS..Hα-helixtrans-71.2-25.5-179.5-166.559.6000112.3Q77 K78 L83 P163Q77-I81 WeakPolarHBondContact O-CG2 3.43Å; Q77-I81 PolarHBondContact O-N 3.2Å; K78-I81 WeakPolarHBondContact O-CG2 3.45Å; K78-I81 PolarHBondContact O-N 3.03Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 2.73Å; I81-P163 HydrophobicContact CD1-CG 4.07Å; I81-P163 HydrophobicContact CG1-CG 4.41Å
82D96.7Very high98.2Very high133 Ų13357.2 Ų57.271%0.71129%0.287SS*.THydrogen-bonded Turntrans-75.3-15.8178.3-68.2-16.4000113.2K78 W80K78-D82 PolarHBondContact O-N 3.39Å; W80-D82 VanDerWaalsContact C-N 3.28Å; W80-D82 PolarHBondContact O-N 3.22Å
83L97.8Very high98.2Very high58 Ų5859.4 Ų59.430%0.30429%0.292SS..SBendtrans-69.6143.1174.5-67.1179.3000111.6W80 I81 R88 I91W80-L83 HydrophobicContact CE3-CD1 3.6Å; W80-L83 HydrophobicContact CZ3-CD1 3.73Å; W80-L83 PolarHBondContact O-N 3.04Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 2.73Å; L83-R88 HydrophobicContact CB-CG 3.66Å; L83-R88 HydrophobicContact CD1-CG 4.3Å; L83-I91 HydrophobicContact CD1-CD1 3.96Å
84P97.5Very high98.2Very high86 Ų8664 Ų6456%0.55831%0.312SS*.  trans-55.2143.1170.5-24.333.5000112.1L86 E87 R88P84-L86 VanDerWaalsContact C-N 3.28Å; P84-L86 PolarHBondContact O-N 3.5Å; P84-E87 HydrophobicContact CB-CB 4.45Å; P84-E87 HydrophobicContact CB-CG 4.15Å; P84-E87 HydrophobicContact CG-CG 4.25Å; P84-E87 WeakPolarHBondContact O-CB 3.37Å; P84-E87 PolarHBondContact O-N 3.24Å; P84-R88 PolarHBondContact O-N 2.98Å; P84-R88 VanDerWaalsContact O-N 3.11Å
85L96.9Very high98.2Very high80 Ų8062.2 Ų62.242%0.41930%0.3SS..Hα-helixtrans-52.5-43.9-175.7-63.1-178.3000113E87 R88 A89 I139L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 2.9Å; L85-R88 PolarHBondContact O-N 2.87Å; L85-A89 PolarHBondContact O-N 3.43Å; L85-I139 HydrophobicContact CB-CG2 4.07Å; L85-I139 HydrophobicContact CD2-CG2 4.11Å; L85-I139 WeakPolarHBondContact O-CG2 3.39Å
86L97.7Very high98.2Very high105 Ų10556.4 Ų56.455%0.5528%0.275SS..Hα-helixtrans-68.7-30.6179.7-66.6-179.8000113P84 A89 K90 P140P84-L86 VanDerWaalsContact C-N 3.28Å; P84-L86 PolarHBondContact O-N 3.5Å; L86-A89 PolarHBondContact O-N 3.48Å; L86-K90 VanDerWaalsContact O-CG 3.3Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 3.49Å; L86-P140 HydrophobicContact CD2-CB 4.21Å; L86-P140 HydrophobicContact CD2-CG 3.75Å
87E98.2Very high98.2Very high78 Ų7860.7 Ų60.736%0.36430%0.298SS..Hα-helixtrans-70.7-42.4175.4-66.1-51130.400111P84 L85 A89 K90 I91P84-E87 HydrophobicContact CB-CB 4.45Å; P84-E87 HydrophobicContact CB-CG 4.15Å; P84-E87 HydrophobicContact CG-CG 4.25Å; P84-E87 WeakPolarHBondContact O-CB 3.37Å; P84-E87 PolarHBondContact O-N 3.24Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 2.9Å; E87-A89 VanDerWaalsContact C-N 3.28Å; E87-A89 PolarHBondContact O-N 2.97Å; E87-K90 PolarHBondContact O-N 3.25Å; E87-K90 IonicContact OE1-NZ 3.52Å; E87-K90 PolarHBondContact OE1-NZ 2.88Å; E87-K90 IonicContact OE2-NZ 3.52Å; E87-I91 WeakPolarHBondContact O-CG1 3.32Å; E87-I91 PolarHBondContact O-N 2.8Å
88R98.1Very high98.2Very high11 Ų1162.4 Ų62.44%0.04231%0.307CS..Hα-helixtrans-58.9-42.2172.6-61.1-169.6-41.9-163.46.4112W80 L83 P84 L85 I91 L92 I139W80-R88 HydrophobicContact CD2-CG 4.27Å; W80-R88 HydrophobicContact CE3-CG 4.25Å; W80-R88 HydrophobicContact CH2-CB 3.63Å; W80-R88 HydrophobicContact CH2-CG 3.88Å; W80-R88 HydrophobicContact CZ2-CB 3.62Å; W80-R88 HydrophobicContact CZ2-CG 3.88Å; W80-R88 HydrophobicContact CZ3-CB 4.28Å; W80-R88 HydrophobicContact CZ3-CG 4.06Å; W80-R88 WeakPolarHBondContact O-CD 3.33Å; L83-R88 HydrophobicContact CB-CG 3.66Å; L83-R88 HydrophobicContact CD1-CG 4.3Å; P84-R88 PolarHBondContact O-N 2.98Å; P84-R88 VanDerWaalsContact O-N 3.11Å; L85-R88 PolarHBondContact O-N 2.87Å; R88-I91 PolarHBondContact O-N 2.79Å; R88-L92 PolarHBondContact O-N 2.71Å; R88-I139 HydrophobicContact CB-CD1 4.18Å
89A98.5Very high98.2Very high0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-63.8-41.1176.500000112.4L85 L86 E87 L92 R93 A136 I139L85-A89 PolarHBondContact O-N 3.43Å; L86-A89 PolarHBondContact O-N 3.48Å; E87-A89 VanDerWaalsContact C-N 3.28Å; E87-A89 PolarHBondContact O-N 2.97Å; A89-L92 PolarHBondContact O-N 2.87Å; A89-R93 WeakPolarHBondContact O-CG 3.19Å; A89-R93 PolarHBondContact O-N 3.37Å; A89-A136 WeakPolarHBondContact CB-O 3.37Å; A89-I139 HydrophobicContact CB-CB 4.35Å; A89-I139 HydrophobicContact CB-CD1 4.24Å
90K98.6Very high98.2Very high106 Ų10655.1 Ų55.146%0.46127%0.271SS..Hα-helixtrans-61.4-43.9174.2-73.6169.5-174.7172.60111.7L86 E87 R93 K94L86-K90 VanDerWaalsContact O-CG 3.3Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 3.49Å; E87-K90 PolarHBondContact O-N 3.25Å; E87-K90 IonicContact OE1-NZ 3.52Å; E87-K90 PolarHBondContact OE1-NZ 2.88Å; E87-K90 IonicContact OE2-NZ 3.52Å; K90-R93 VanDerWaalsContact CG-NH2 3.31Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-K94 WeakPolarHBondContact O-CB 3.49Å; K90-K94 PolarHBondContact O-N 3.44Å
91I98.8Very high98.2Very high27 Ų2759.2 Ų59.214%0.13831%0.305CS..Hα-helixtrans-62.9-47.8179-67.5165.9000110.6W80 L83 E87 R88 R93 K94 V95 A216 C218W80-I91 HydrophobicContact CH2-CB 4.1Å; W80-I91 HydrophobicContact CH2-CD1 4.42Å; W80-I91 HydrophobicContact CH2-CG2 4.08Å; W80-I91 HydrophobicContact CZ3-CB 4.28Å; W80-I91 HydrophobicContact CZ3-CD1 3.83Å; W80-I91 HydrophobicContact CZ3-CG2 4.12Å; L83-I91 HydrophobicContact CD1-CD1 3.96Å; E87-I91 WeakPolarHBondContact O-CG1 3.32Å; E87-I91 PolarHBondContact O-N 2.8Å; R88-I91 PolarHBondContact O-N 2.79Å; I91-R93 PolarHBondContact O-N 3.24Å; I91-K94 WeakPolarHBondContact O-CB 3.26Å; I91-K94 PolarHBondContact O-N 3.37Å; I91-V95 WeakPolarHBondContact O-CG2 3.44Å; I91-V95 PolarHBondContact O-N 3.42Å; I91-A216 HydrophobicContact CG2-CB 4.34Å; I91-C218 VanDerWaalsContact CG2-SG 3.53Å
92L98.6Very high98.3Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-65.2-37.9178.3-71.4-168.3000113.1W80 R88 A89 K94 V95 G96 A136 I139 L188 A189 Y213W80-L92 HydrophobicContact CH2-CG 4.45Å; W80-L92 HydrophobicContact CZ2-CD2 4.42Å; W80-L92 HydrophobicContact CZ2-CG 4.27Å; R88-L92 PolarHBondContact O-N 2.71Å; A89-L92 PolarHBondContact O-N 2.87Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 3.03Å; L92-V95 WeakPolarHBondContact O-CB 3.44Å; L92-V95 PolarHBondContact O-N 2.96Å; L92-V95 VanDerWaalsContact O-N 3.16Å; L92-G96 PolarHBondContact O-N 2.87Å; L92-G96 VanDerWaalsContact O-N 3.13Å; L92-A136 HydrophobicContact CB-CB 3.85Å; L92-I139 HydrophobicContact CD1-CD1 3.78Å; L92-I139 HydrophobicContact CG-CD1 4.47Å; L92-L188 HydrophobicContact CD2-CB 4.42Å; L92-L188 HydrophobicContact CD2-CD1 4.44Å; L92-A189 HydrophobicContact CD1-CB 4.01Å; L92-Y213 HydrophobicContact CD2-CE1 4.05Å
93R98.6Very high98.4Very high91 Ų9152.5 Ų52.534%0.34327%0.269SS..Hα-helixtrans-59.6-43.3171.6-78.5-170.2-63.8-85.9-0.8111.7A89 K90 I91 V95 G96 D97 A136A89-R93 WeakPolarHBondContact O-CG 3.19Å; A89-R93 PolarHBondContact O-N 3.37Å; K90-R93 VanDerWaalsContact CG-NH2 3.31Å; K90-R93 PolarHBondContact O-N 2.97Å; I91-R93 PolarHBondContact O-N 3.24Å; R93-V95 VanDerWaalsContact C-N 3.26Å; R93-V95 PolarHBondContact O-N 2.84Å; R93-G96 CarbonylContact O-C 3.45Å; R93-G96 WeakPolarHBondContact O-CA 3.45Å; R93-G96 PolarHBondContact O-N 3.25Å; R93-D97 PolarHBondContact O-N 3.42Å; R93-A136 HydrophobicContact CG-CB 3.67Å
94K98.8Very high98.4Very high97 Ų9753.2 Ų53.242%0.42227%0.273SS..Hα-helixtrans-61.2-34175.6-178.1176.9165.8-152.30112.3K90 I91 L92 D97 L98 L215 A216K90-K94 WeakPolarHBondContact O-CB 3.49Å; K90-K94 PolarHBondContact O-N 3.44Å; I91-K94 WeakPolarHBondContact O-CB 3.26Å; I91-K94 PolarHBondContact O-N 3.37Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 3.03Å; K94-D97 PolarHBondContact O-N 3.37Å; K94-L98 HydrophobicContact CG-CD1 4.44Å; K94-L98 VanDerWaalsContact O-CG 3.26Å; K94-L98 WeakPolarHBondContact O-CG 3.28Å; K94-L98 PolarHBondContact O-N 3.05Å; K94-L215 PolarHBondContact NZ-O 3.21Å; K94-A216 HydrophobicContact CB-CB 4.39Å; K94-A216 HydrophobicContact CD-CB 4.49Å; K94-A216 WeakPolarHBondContact CD-O 3.49Å; K94-A216 HydrophobicContact CG-CB 4.22Å; K94-A216 PolarHBondContact NZ-O 3.02Å
95V98.8Very high98.4Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-61-48.2170.4-174.10000110I91 L92 R93 D97 L98 V99 F132 L212 Y213 A216I91-V95 WeakPolarHBondContact O-CG2 3.44Å; I91-V95 PolarHBondContact O-N 3.42Å; L92-V95 WeakPolarHBondContact O-CB 3.44Å; L92-V95 PolarHBondContact O-N 2.96Å; L92-V95 VanDerWaalsContact O-N 3.16Å; R93-V95 VanDerWaalsContact C-N 3.26Å; R93-V95 PolarHBondContact O-N 2.84Å; V95-D97 VanDerWaalsContact C-N 3.32Å; V95-D97 PolarHBondContact O-N 3.39Å; V95-L98 PolarHBondContact O-N 2.87Å; V95-L98 VanDerWaalsContact O-N 3.15Å; V95-V99 HydrophobicContact CG1-CG2 4.37Å; V95-V99 WeakPolarHBondContact O-CG2 3.24Å; V95-V99 PolarHBondContact O-N 2.86Å; V95-F132 HydrophobicContact CB-CD1 3.73Å; V95-F132 HydrophobicContact CB-CE1 3.69Å; V95-F132 HydrophobicContact CB-CG 4.39Å; V95-F132 HydrophobicContact CB-CZ 4.36Å; V95-F132 HydrophobicContact CG1-CD1 3.8Å; V95-F132 HydrophobicContact CG1-CE1 3.28Å; V95-F132 HydrophobicContact CG1-CE2 4.13Å; V95-F132 HydrophobicContact CG1-CG 4.4Å; V95-F132 HydrophobicContact CG1-CZ 3.5Å; V95-F132 HydrophobicContact CG2-CE1 4.4Å; V95-L212 HydrophobicContact CG1-CB 4.47Å; V95-Y213 HydrophobicContact CG1-CD1 4.12Å; V95-Y213 HydrophobicContact CG1-CE1 4.15Å; V95-Y213 HydrophobicContact CG2-CD1 3.66Å; V95-Y213 HydrophobicContact CG2-CE1 4.02Å; V95-A216 HydrophobicContact CB-CB 4.22Å; V95-A216 HydrophobicContact CG2-CB 3.27Å
96G98.8Very high98.5Very high2 Ų246.1 Ų46.12%0.02123%0.23CC..Hα-helixtrans-56.2-43.1175.500000113.3L92 R93 L98 V99 R100L92-G96 PolarHBondContact O-N 2.87Å; L92-G96 VanDerWaalsContact O-N 3.13Å; R93-G96 CarbonylContact O-C 3.45Å; R93-G96 WeakPolarHBondContact O-CA 3.45Å; R93-G96 PolarHBondContact O-N 3.25Å; G96-L98 PolarHBondContact O-N 2.83Å; G96-V99 PolarHBondContact O-N 3.07Å; G96-R100 WeakPolarHBondContact O-CB 3.34Å; G96-R100 PolarHBondContact O-N 3.02Å
97D98.8Very high98.6Very high94 Ų9441.1 Ų41.150%0.50320%0.203SC..Hα-helixtrans-62.2-41.7175.9-64.4-30.4000112R93 K94 V95 R100 A101R93-D97 PolarHBondContact O-N 3.42Å; K94-D97 PolarHBondContact O-N 3.37Å; V95-D97 VanDerWaalsContact C-N 3.32Å; V95-D97 PolarHBondContact O-N 3.39Å; D97-R100 PolarHBondContact O-N 2.84Å; D97-A101 WeakPolarHBondContact O-CB 3.39Å; D97-A101 PolarHBondContact O-N 3.45Å
98L98.9Very high98.6Very high43 Ų4338.6 Ų38.623%0.22519%0.191CC..Hα-helixtrans-66.9-40.7176.3-69.5170.5000111.9K94 V95 G96 R100 A101 E102 L212 L215 A216K94-L98 HydrophobicContact CG-CD1 4.44Å; K94-L98 VanDerWaalsContact O-CG 3.26Å; K94-L98 WeakPolarHBondContact O-CG 3.28Å; K94-L98 PolarHBondContact O-N 3.05Å; V95-L98 PolarHBondContact O-N 2.87Å; V95-L98 VanDerWaalsContact O-N 3.15Å; G96-L98 PolarHBondContact O-N 2.83Å; L98-R100 VanDerWaalsContact C-N 3.35Å; L98-A101 PolarHBondContact O-N 3.04Å; L98-E102 PolarHBondContact O-N 3.13Å; L98-L212 HydrophobicContact CB-CD2 4.2Å; L98-L215 HydrophobicContact CD1-CB 3.97Å; L98-A216 HydrophobicContact CD1-CB 4.11Å
99V98.8Very high98.6Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-59.6-47.9173.6172.10000110.1V95 G96 A101 E102 T103 L106 I125 A129 F132 F177 L212V95-V99 HydrophobicContact CG1-CG2 4.37Å; V95-V99 WeakPolarHBondContact O-CG2 3.24Å; V95-V99 PolarHBondContact O-N 2.86Å; G96-V99 PolarHBondContact O-N 3.07Å; V99-A101 VanDerWaalsContact C-N 3.34Å; V99-A101 PolarHBondContact O-N 3.38Å; V99-E102 CarbonylContact O-C 3.6Å; V99-E102 PolarHBondContact O-N 3.43Å; V99-E102 VanDerWaalsContact O-N 3.09Å; V99-T103 PolarHBondContact O-N 3.12Å; V99-T103 VanDerWaalsContact O-N 3.08Å; V99-L106 HydrophobicContact CB-CD1 4.38Å; V99-L106 HydrophobicContact CG1-CD1 3.87Å; V99-I125 HydrophobicContact CG1-CG2 3.87Å; V99-A129 HydrophobicContact CB-CB 4.3Å; V99-A129 HydrophobicContact CG1-CB 3.96Å; V99-F132 HydrophobicContact CG2-CD2 4.35Å; V99-F132 HydrophobicContact CG2-CE2 3.96Å; V99-F177 HydrophobicContact CG1-CE1 3.79Å; V99-F177 HydrophobicContact CG1-CZ 3.92Å; V99-F177 HydrophobicContact CG2-CE1 4.38Å; V99-F177 HydrophobicContact CG2-CZ 3.82Å; V99-L212 HydrophobicContact CG2-CD1 3.73Å
100R98.5Very high98.6Very high88 Ų8838.1 Ų38.133%0.33219%0.19SC..Hα-helixtrans-63.4-40.1179.5-165.5170.4-71.2125.5-11.2111.9G96 D97 L98 E102 T103 A129 D130 E133G96-R100 WeakPolarHBondContact O-CB 3.34Å; G96-R100 PolarHBondContact O-N 3.02Å; D97-R100 PolarHBondContact O-N 2.84Å; L98-R100 VanDerWaalsContact C-N 3.35Å; R100-E102 PolarHBondContact O-N 2.87Å; R100-T103 WeakPolarHBondContact CA-OG1 3.39Å; R100-T103 PolarHBondContact O-N 3.23Å; R100-T103 PolarHBondContact O-OG1 3.02Å; R100-A129 HydrophobicContact CB-CB 4.01Å; R100-D130 IonicContact CZ-OD1 2.8Å; R100-D130 IonicContact NH2-OD1 3.49Å; R100-D130 PolarHBondContact NH2-OD1 2.79Å; R100-E133 IonicContact NH1-OE2 3.9Å; R100-E133 IonicContact NH2-OE2 2.8Å
101A98.6Very high98.6Very high86 Ų8633.1 Ų33.171%0.71117%0.168SC*.Hα-helixtrans-65.3-25.317500000113.3D97 L98 V99D97-A101 WeakPolarHBondContact O-CB 3.39Å; D97-A101 PolarHBondContact O-N 3.45Å; L98-A101 PolarHBondContact O-N 3.04Å; V99-A101 VanDerWaalsContact C-N 3.34Å; V99-A101 PolarHBondContact O-N 3.38Å
102E98.1Very high98.6Very high40 Ų4031.8 Ų31.819%0.18716%0.161CC..THydrogen-bonded Turntrans-105.516.1179-67.5-171.2-162.100114L98 V99 R100 D104 W105 L106 R208L98-E102 PolarHBondContact O-N 3.13Å; V99-E102 CarbonylContact O-C 3.6Å; V99-E102 PolarHBondContact O-N 3.43Å; V99-E102 VanDerWaalsContact O-N 3.09Å; R100-E102 PolarHBondContact O-N 2.87Å; E102-D104 VanDerWaalsContact C-N 3.3Å; E102-D104 PolarHBondContact O-N 3.35Å; E102-W105 WeakPolarHBondContact O-CB 3.39Å; E102-W105 PolarHBondContact O-N 3.1Å; E102-L106 HydrophobicContact CB-CD1 4.18Å; E102-L106 HydrophobicContact CB-CG 4.22Å; E102-L106 WeakPolarHBondContact O-CG 3.32Å; E102-L106 PolarHBondContact O-N 3.14Å; E102-R208 IonicContact OE1-CZ 2.77Å; E102-R208 IonicContact OE1-NH2 2.73Å; E102-R208 PolarHBondContact OE1-NH2 2.99Å; E102-R208 IonicContact OE2-CZ 3.8Å; E102-R208 VanDerWaalsContact OE2-CZ 3.23Å; E102-R208 IonicContact OE2-NE 2.7Å; E102-R208 PolarHBondContact OE2-NE 3.49Å; E102-R208 IonicContact OE2-NH2 3.82Å; E102-R208 PolarHBondContact OE2-NH2 3.01Å
103T98.7Very high98.5Very high10 Ų1031.8 Ų31.86%0.06116%0.161CC..Hα-helixtrans-48-50.4-176.1-61.80000112.7V99 R100 W105 L106 A107 R122 I125 E126V99-T103 PolarHBondContact O-N 3.12Å; V99-T103 VanDerWaalsContact O-N 3.08Å; R100-T103 WeakPolarHBondContact CA-OG1 3.39Å; R100-T103 PolarHBondContact O-N 3.23Å; R100-T103 PolarHBondContact O-OG1 3.02Å; T103-W105 VanDerWaalsContact C-N 3.34Å; T103-W105 PolarHBondContact O-N 2.65Å; T103-L106 PolarHBondContact O-N 2.81Å; T103-A107 WeakPolarHBondContact O-CB 3.33Å; T103-A107 PolarHBondContact O-N 3.48Å; T103-R122 HydrophobicContact CG2-CB 4.4Å; T103-R122 HydrophobicContact CG2-CG 4.43Å; T103-I125 HydrophobicContact CG2-CB 4.35Å; T103-I125 HydrophobicContact CG2-CG2 4.16Å; T103-E126 HydrophobicContact CG2-CG 3.9Å
104D98.2Very high98.5Very high74 Ų7427.6 Ų27.640%0.39615%0.145SC..Hα-helixtrans-60.6-43.2-179.7-73.826.4000112.2E102 E108 R122E102-D104 VanDerWaalsContact C-N 3.3Å; E102-D104 PolarHBondContact O-N 3.35Å; D104-E108 VanDerWaalsContact O-CG 3.23Å; D104-E108 WeakPolarHBondContact O-CG 3.47Å; D104-E108 PolarHBondContact O-N 3.44Å; D104-R122 IonicContact OD1-CZ 2.7Å; D104-R122 VanDerWaalsContact OD1-CZ 3.26Å; D104-R122 IonicContact OD1-NH1 2.6Å; D104-R122 PolarHBondContact OD1-NH1 3.22Å; D104-R122 IonicContact OD1-NH2 2.62Å; D104-R122 PolarHBondContact OD1-NH2 2.87Å; D104-R122 IonicContact OD2-CZ 3.92Å; D104-R122 VanDerWaalsContact OD2-CZ 3.32Å; D104-R122 IonicContact OD2-NH1 3.23Å; D104-R122 PolarHBondContact OD2-NH1 2.8Å; D104-R122 IonicContact OD2-NH2 3.8Å; D104-R122 PolarHBondContact OD2-NH2 3.39Å
105W98.2Very high98.5Very high17 Ų1723 Ų236%0.06413%0.125CC..Hα-helixtrans-69.2-45.9-179.1178.7-132.6000112.1R16 L17 W20 E102 T103 A107 E108 L109R16-W105 HydrophobicContact CB-CE3 4.15Å; R16-W105 HydrophobicContact CB-CH2 3.83Å; R16-W105 HydrophobicContact CB-CZ3 3.52Å; L17-W105 HydrophobicContact CB-CH2 3.98Å; W20-W105 HydrophobicContact CB-CZ2 4.16Å; W20-W105 HydrophobicContact CD2-CZ2 4.22Å; W20-W105 AromaticContact CE3-CZ2 3.84Å; W20-W105 HydrophobicContact CE3-CZ2 3.84Å; W20-W105 HydrophobicContact CG-CZ2 4.38Å; E102-W105 WeakPolarHBondContact O-CB 3.39Å; E102-W105 PolarHBondContact O-N 3.1Å; T103-W105 VanDerWaalsContact C-N 3.34Å; T103-W105 PolarHBondContact O-N 2.65Å; W105-A107 VanDerWaalsContact C-N 3.29Å; W105-A107 PolarHBondContact O-N 2.89Å; W105-E108 HydrophobicContact CE3-CB 4.16Å; W105-E108 VanDerWaalsContact CE3-OE2 3.3Å; W105-E108 HydrophobicContact CZ3-CB 4.34Å; W105-E108 WeakPolarHBondContact O-CB 3.31Å; W105-E108 PolarHBondContact O-N 3.25Å; W105-L109 HydrophobicContact CD2-CD1 4.4Å; W105-L109 HydrophobicContact CD2-CG 4.24Å; W105-L109 HydrophobicContact CE3-CG 4.42Å; W105-L109 HydrophobicContact CH2-CD2 3.45Å; W105-L109 VanDerWaalsContact CH2-CD2 3.45Å; W105-L109 HydrophobicContact CH2-CG 3.92Å; W105-L109 HydrophobicContact CZ2-CD1 3.86Å; W105-L109 HydrophobicContact CZ2-CD2 3.52Å; W105-L109 HydrophobicContact CZ2-CG 3.76Å; W105-L109 HydrophobicContact CZ3-CD2 4.13Å; W105-L109 HydrophobicContact CZ3-CG 4.27Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.44Å
106L98.8Very high98.4Very high0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-63.9-38.5177.8-69.5170.7000111V99 E102 T103 L109 E110 I125 F177 R208 L212V99-L106 HydrophobicContact CB-CD1 4.38Å; V99-L106 HydrophobicContact CG1-CD1 3.87Å; E102-L106 HydrophobicContact CB-CD1 4.18Å; E102-L106 HydrophobicContact CB-CG 4.22Å; E102-L106 WeakPolarHBondContact O-CG 3.32Å; E102-L106 PolarHBondContact O-N 3.14Å; T103-L106 PolarHBondContact O-N 2.81Å; L106-L109 PolarHBondContact O-N 3.19Å; L106-E110 WeakPolarHBondContact O-CB 3.3Å; L106-E110 WeakPolarHBondContact O-CG 3.5Å; L106-E110 PolarHBondContact O-N 3.4Å; L106-I125 HydrophobicContact CB-CD1 3.72Å; L106-I125 HydrophobicContact CB-CG1 3.82Å; L106-I125 HydrophobicContact CB-CG2 4Å; L106-I125 HydrophobicContact CD1-CG2 3.88Å; L106-F177 HydrophobicContact CD1-CE1 4.43Å; L106-F177 HydrophobicContact CD1-CE2 4.24Å; L106-F177 HydrophobicContact CD1-CZ 3.92Å; L106-F177 HydrophobicContact CD2-CD2 4.42Å; L106-F177 HydrophobicContact CD2-CE2 3.98Å; L106-F177 HydrophobicContact CD2-CZ 4.49Å; L106-R208 HydrophobicContact CD2-CB 4.11Å; L106-R208 HydrophobicContact CD2-CG 3.6Å; L106-L212 HydrophobicContact CD1-CD1 4.22Å
107A98.7Very high98.4Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-67.1-37.3175.800000112.6T103 W105 E110 T111 L118 A121 R122T103-A107 WeakPolarHBondContact O-CB 3.33Å; T103-A107 PolarHBondContact O-N 3.48Å; W105-A107 VanDerWaalsContact C-N 3.29Å; W105-A107 PolarHBondContact O-N 2.89Å; A107-E110 PolarHBondContact O-N 2.66Å; A107-T111 VanDerWaalsContact O-CB 3.26Å; A107-T111 WeakPolarHBondContact O-CB 3.4Å; A107-T111 PolarHBondContact O-N 2.98Å; A107-T111 PolarHBondContact O-OG1 2.87Å; A107-L118 HydrophobicContact CB-CD1 3.87Å; A107-A121 HydrophobicContact CB-CB 3.91Å; A107-R122 HydrophobicContact CB-CB 4.23Å; A107-R122 HydrophobicContact CB-CG 3.43Å; A107-R122 VanDerWaalsContact CB-CG 3.43Å
108E98.5Very high98.3Very high24 Ų2419.7 Ų19.711%0.11211%0.107CC..Hα-helixtrans-60.8-46.1171.5-76165.5-156.300111.2A13 R16 D104 W105 T111 L112 L118 F338A13-E108 HydrophobicContact CB-CB 4.04Å; A13-E108 HydrophobicContact CB-CG 4.04Å; R16-E108 IonicContact CZ-OE2 3.73Å; R16-E108 IonicContact NE-OE2 3.99Å; R16-E108 VanDerWaalsContact NH1-CD 3.26Å; R16-E108 IonicContact NH1-OE1 2.79Å; R16-E108 PolarHBondContact NH1-OE1 2.95Å; R16-E108 IonicContact NH1-OE2 3.96Å; R16-E108 PolarHBondContact NH1-OE2 2.7Å; D104-E108 VanDerWaalsContact O-CG 3.23Å; D104-E108 WeakPolarHBondContact O-CG 3.47Å; D104-E108 PolarHBondContact O-N 3.44Å; W105-E108 HydrophobicContact CE3-CB 4.16Å; W105-E108 VanDerWaalsContact CE3-OE2 3.3Å; W105-E108 HydrophobicContact CZ3-CB 4.34Å; W105-E108 WeakPolarHBondContact O-CB 3.31Å; W105-E108 PolarHBondContact O-N 3.25Å; E108-T111 PolarHBondContact O-N 2.87Å; E108-L112 WeakPolarHBondContact O-CB 3.37Å; E108-L112 VanDerWaalsContact O-CG 3.29Å; E108-L112 WeakPolarHBondContact O-CG 3.34Å; E108-L112 PolarHBondContact O-N 3.3Å; E108-L118 HydrophobicContact CG-CD1 4.22Å; E108-F338 HydrophobicContact CG-CE1 4.2Å
109L98.5Very high98.2Very high0 Ų022.9 Ų22.90%012%0.117CC..Hα-helixtrans-62.2-46.7176.3-69.4178.1000112.3L17 W20 W105 L106 T111 L112 D113 L204 T205 R208L17-L109 HydrophobicContact CD1-CD2 3.97Å; W20-L109 HydrophobicContact CE3-CD1 4.48Å; W20-L109 HydrophobicContact CE3-CD2 4.3Å; W20-L109 HydrophobicContact CH2-CD1 4.36Å; W20-L109 HydrophobicContact CZ3-CD1 4Å; W20-L109 HydrophobicContact CZ3-CD2 4.03Å; W105-L109 HydrophobicContact CD2-CD1 4.4Å; W105-L109 HydrophobicContact CD2-CG 4.24Å; W105-L109 HydrophobicContact CE3-CG 4.42Å; W105-L109 HydrophobicContact CH2-CD2 3.45Å; W105-L109 VanDerWaalsContact CH2-CD2 3.45Å; W105-L109 HydrophobicContact CH2-CG 3.92Å; W105-L109 HydrophobicContact CZ2-CD1 3.86Å; W105-L109 HydrophobicContact CZ2-CD2 3.52Å; W105-L109 HydrophobicContact CZ2-CG 3.76Å; W105-L109 HydrophobicContact CZ3-CD2 4.13Å; W105-L109 HydrophobicContact CZ3-CG 4.27Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.44Å; L106-L109 PolarHBondContact O-N 3.19Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 3.09Å; L109-L112 PolarHBondContact O-N 3.09Å; L109-D113 PolarHBondContact O-N 3.04Å; L109-L204 HydrophobicContact CB-CB 4.39Å; L109-L204 HydrophobicContact CD2-CB 4.25Å; L109-L204 HydrophobicContact CD2-CD1 3.97Å; L109-T205 HydrophobicContact CB-CG2 3.53Å; L109-T205 HydrophobicContact CD1-CG2 4.41Å; L109-R208 HydrophobicContact CD1-CB 4.25Å; L109-R208 HydrophobicContact CD1-CG 4.47Å
110E98.6Very high98.1Very high2 Ų223 Ų231%0.00912%0.117CC..Hα-helixtrans-57.4-44.7174.7-82.5-66.1136.700111.6L106 A107 D113 T114 A121 I125 P176 F177 T205L106-E110 WeakPolarHBondContact O-CB 3.3Å; L106-E110 WeakPolarHBondContact O-CG 3.5Å; L106-E110 PolarHBondContact O-N 3.4Å; A107-E110 PolarHBondContact O-N 2.66Å; E110-D113 PolarHBondContact O-N 2.86Å; E110-T114 WeakPolarHBondContact O-CB 3.26Å; E110-T114 WeakPolarHBondContact O-CG2 3.11Å; E110-T114 PolarHBondContact O-N 3.06Å; E110-T114 PolarHBondContact O-OG1 3.39Å; E110-A121 HydrophobicContact CB-CB 3.87Å; E110-I125 HydrophobicContact CG-CD1 4.06Å; E110-P176 WeakPolarHBondContact OE1-CB 3.04Å; E110-P176 VanDerWaalsContact OE2-CD 3.25Å; E110-P176 WeakPolarHBondContact OE2-CD 3.4Å; E110-F177 HydrophobicContact CG-CB 4.37Å; E110-F177 WeakPolarHBondContact OE1-CB 3.38Å; E110-F177 PolarHBondContact OE1-N 2.99Å; E110-T205 HydrophobicContact CG-CG2 3.8Å; E110-T205 WeakPolarHBondContact OE1-CB 3.31Å; E110-T205 WeakPolarHBondContact OE1-CG2 3.32Å; E110-T205 PolarHBondContact OE1-OG1 2.8Å
111T98.5Very high98.1Very high0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-63.7-44.1179-62.20000111.5A107 E108 L109 G115 K116 L118 P337 F338A107-T111 VanDerWaalsContact O-CB 3.26Å; A107-T111 WeakPolarHBondContact O-CB 3.4Å; A107-T111 PolarHBondContact O-N 2.98Å; A107-T111 PolarHBondContact O-OG1 2.87Å; E108-T111 PolarHBondContact O-N 2.87Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 3.09Å; T111-G115 WeakPolarHBondContact O-CA 3.06Å; T111-G115 PolarHBondContact O-N 2.86Å; T111-K116 WeakPolarHBondContact CG2-O 3.35Å; T111-L118 WeakPolarHBondContact OG1-CA 3.29Å; T111-L118 WeakPolarHBondContact OG1-CD1 3.44Å; T111-P337 HydrophobicContact CG2-CB 3.74Å; T111-P337 HydrophobicContact CG2-CG 3.85Å; T111-F338 HydrophobicContact CG2-CD2 3.88Å; T111-F338 HydrophobicContact CG2-CE2 3.58Å; T111-F338 HydrophobicContact CG2-CZ 4.05Å
112L98.1Very high98.1Very high0 Ų018.3 Ų18.30%08%0.081CC..Hα-helixtrans-63.4-44.4177-73.1170000111.6A13 I14 L17 D48 P49 L55 E108 L109 F338A13-L112 HydrophobicContact CB-CD1 4.13Å; I14-L112 HydrophobicContact CG1-CD2 4.09Å; L17-L112 HydrophobicContact CD2-CD1 4.42Å; D48-L112 WeakPolarHBondContact CA-O 3.41Å; P49-L112 WeakPolarHBondContact CD-O 3.41Å; L55-L112 HydrophobicContact CD1-CB 4.02Å; L55-L112 WeakPolarHBondContact CD1-O 3.31Å; L55-L112 HydrophobicContact CD2-CD2 4.37Å; E108-L112 WeakPolarHBondContact O-CB 3.37Å; E108-L112 VanDerWaalsContact O-CG 3.29Å; E108-L112 WeakPolarHBondContact O-CG 3.34Å; E108-L112 PolarHBondContact O-N 3.3Å; L109-L112 PolarHBondContact O-N 3.09Å; L112-F338 HydrophobicContact CD2-CE2 3.89Å; L112-F338 HydrophobicContact CD2-CZ 4Å; L112-F338 HydrophobicContact CG-CE2 4.27Å; L112-F338 HydrophobicContact CG-CZ 4.03Å
113D97.5Very high98Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-74.6-35.2-177.4-100.1-1.7000113.1P49 L109 E110 T202 P203 L204 I348P49-D113 WeakPolarHBondContact CG-O 3.34Å; L109-D113 PolarHBondContact O-N 3.04Å; E110-D113 PolarHBondContact O-N 2.86Å; D113-T202 HydrophobicContact CB-CG2 3.96Å; D113-T202 WeakPolarHBondContact O-CG2 3.28Å; D113-T202 WeakPolarHBondContact OD2-CA 3.44Å; D113-P203 WeakPolarHBondContact OD2-CD 3.28Å; D113-P203 VanDerWaalsContact OD2-N 3.17Å; D113-L204 HydrophobicContact CB-CD1 4.49Å; D113-L204 WeakPolarHBondContact OD1-CD1 3.38Å; D113-L204 VanDerWaalsContact OD1-CG 3.29Å; D113-L204 WeakPolarHBondContact OD1-CG 3.35Å; D113-L204 VanDerWaalsContact OD2-CB 3.27Å; D113-L204 WeakPolarHBondContact OD2-CB 3.37Å; D113-L204 VanDerWaalsContact OD2-CG 3.26Å; D113-L204 WeakPolarHBondContact OD2-CG 3.3Å; D113-L204 PolarHBondContact OD2-N 3.42Å; D113-I348 WeakPolarHBondContact O-CD1 3.37Å
114T98.3Very high97.9Very high2 Ų218.6 Ų18.61%0.0129%0.09CC..Hα-helixtrans-107-20.8-168.467.90000114.4E110 K116 W173 P176 T202E110-T114 WeakPolarHBondContact O-CB 3.26Å; E110-T114 WeakPolarHBondContact O-CG2 3.11Å; E110-T114 PolarHBondContact O-N 3.06Å; E110-T114 PolarHBondContact O-OG1 3.39Å; T114-K116 PolarHBondContact O-N 3.35Å; T114-K116 WeakPolarHBondContact OG1-CE 3.34Å; T114-K116 VanDerWaalsContact OG1-CG 3.28Å; T114-K116 WeakPolarHBondContact OG1-CG 3.39Å; T114-K116 PolarHBondContact OG1-N 3.06Å; T114-W173 WeakPolarHBondContact CG2-O 3.16Å; T114-P176 HydrophobicContact CG2-CG 3.68Å; T114-T202 HydrophobicContact CG2-CG2 4.12Å
115G97.8Very high98Very high0 Ų015.1 Ų15.10%07%0.071CC..  trans76.13.2-172.800000114.5T111 G345 A346T111-G115 WeakPolarHBondContact O-CA 3.06Å; T111-G115 PolarHBondContact O-N 2.86Å; G115-G345 VanDerWaalsContact O-CA 3.31Å; G115-G345 WeakPolarHBondContact O-CA 3.29Å; G115-A346 PolarHBondContact O-N 3.01Å
116K98Very high97.9Very high0 Ų019.3 Ų19.30%09%0.091CC..  trans-71.2150.9177.782.2175.965.1-163.20111.7T111 T114 E120 A121 D124 N174 F175 T300 P337T111-K116 WeakPolarHBondContact CG2-O 3.35Å; T114-K116 PolarHBondContact O-N 3.35Å; T114-K116 WeakPolarHBondContact OG1-CE 3.34Å; T114-K116 VanDerWaalsContact OG1-CG 3.28Å; T114-K116 WeakPolarHBondContact OG1-CG 3.39Å; T114-K116 PolarHBondContact OG1-N 3.06Å; K116-E120 HydrophobicContact CD-CB 4.37Å; K116-A121 HydrophobicContact CD-CB 4.02Å; K116-A121 HydrophobicContact CG-CB 4.08Å; K116-D124 IonicContact NZ-OD2 3.26Å; K116-D124 PolarHBondContact NZ-OD2 3.13Å; K116-N174 WeakPolarHBondContact CE-O 3.28Å; K116-N174 PolarHBondContact NZ-O 3.27Å; K116-F175 VanDerWaalsContact NZ-CE1 3.29Å; K116-T300 HydrophobicContact CB-CG2 4.14Å; K116-P337 WeakPolarHBondContact O-CB 3.48Å
117P97.9Very high97.9Very high0 Ų020.7 Ų20.70%010%0.103CC..  trans-56.1140.6176.5-24.832.6000113.3W119 E120 A121 Q301P117-W119 HydrophobicContact CB-CG 4.44Å; P117-W119 PolarHBondContact O-N 3.38Å; P117-W119 VanDerWaalsContact O-N 3.16Å; P117-E120 HydrophobicContact CB-CG 4.19Å; P117-E120 HydrophobicContact CG-CG 4.3Å; P117-E120 WeakPolarHBondContact O-CB 3.25Å; P117-E120 PolarHBondContact O-N 2.92Å; P117-A121 PolarHBondContact O-N 3.15Å; P117-A121 VanDerWaalsContact O-N 3.1Å; P117-Q301 VanDerWaalsContact CD-NE2 3.3Å
118L97.7Very high97.9Very high27 Ų2720.7 Ų20.714%0.14110%0.103CC..Hα-helixtrans-58.2-33.4-176.1-178.561.9000113.6A107 E108 T111 A121 R122 P337 F338A107-L118 HydrophobicContact CB-CD1 3.87Å; E108-L118 HydrophobicContact CG-CD1 4.22Å; T111-L118 WeakPolarHBondContact OG1-CA 3.29Å; T111-L118 WeakPolarHBondContact OG1-CD1 3.44Å; L118-A121 PolarHBondContact O-N 3.28Å; L118-R122 WeakPolarHBondContact O-CG 3.45Å; L118-R122 PolarHBondContact O-N 3.41Å; L118-P337 PolarHBondContact N-O 2.96Å; L118-F338 HydrophobicContact CD2-CD1 4.21Å
119W96.5Very high97.9Very high111 Ų11119.6 Ų19.642%0.4210%0.098SC..Hα-helixtrans-72.1-31.9178.165.3-95.1000112.6P117 A123 V342P117-W119 HydrophobicContact CB-CG 4.44Å; P117-W119 PolarHBondContact O-N 3.38Å; P117-W119 VanDerWaalsContact O-N 3.16Å; W119-A123 PolarHBondContact O-N 3.04Å; W119-V342 PolarHBondContact NE1-O 3.15Å
120E97.2Very high97.9Very high2 Ų223 Ų231%0.00912%0.116CC..Hα-helixtrans-67.7-47172.2-64.2-172.9178.700109.6K116 P117 R122 A123 D124 Y299 T300K116-E120 HydrophobicContact CD-CB 4.37Å; P117-E120 HydrophobicContact CB-CG 4.19Å; P117-E120 HydrophobicContact CG-CG 4.3Å; P117-E120 WeakPolarHBondContact O-CB 3.25Å; P117-E120 PolarHBondContact O-N 2.92Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 3Å; E120-A123 PolarHBondContact O-N 2.6Å; E120-A123 VanDerWaalsContact O-N 3.14Å; E120-D124 PolarHBondContact O-N 3.33Å; E120-Y299 HydrophobicContact CB-CE2 3.98Å; E120-Y299 HydrophobicContact CG-CD2 4.06Å; E120-Y299 HydrophobicContact CG-CE2 3.6Å; E120-Y299 WeakPolarHBondContact OE1-CD2 3.4Å; E120-T300 PolarHBondContact OE1-N 3.11Å; E120-T300 WeakPolarHBondContact OE2-CA 3.45Å; E120-T300 PolarHBondContact OE2-N 3.49Å; E120-T300 PolarHBondContact OE2-OG1 3.08Å
121A98.3Very high97.9Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-57.7-41.417800000112.1A107 E110 K116 P117 L118 D124 I125A107-A121 HydrophobicContact CB-CB 3.91Å; E110-A121 HydrophobicContact CB-CB 3.87Å; K116-A121 HydrophobicContact CD-CB 4.02Å; K116-A121 HydrophobicContact CG-CB 4.08Å; P117-A121 PolarHBondContact O-N 3.15Å; P117-A121 VanDerWaalsContact O-N 3.1Å; L118-A121 PolarHBondContact O-N 3.28Å; A121-D124 PolarHBondContact O-N 3.06Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 2.9Å; A121-I125 PolarHBondContact O-N 2.81Å
122R98.1Very high97.9Very high76 Ų7622.9 Ų22.929%0.28712%0.116SC..Hα-helixtrans-59.8-47.5175.2-75.1172-179.6-111.3-5.7112.1T103 D104 A107 L118 E120 D124 I125 E126T103-R122 HydrophobicContact CG2-CB 4.4Å; T103-R122 HydrophobicContact CG2-CG 4.43Å; D104-R122 IonicContact OD1-CZ 2.7Å; D104-R122 VanDerWaalsContact OD1-CZ 3.26Å; D104-R122 IonicContact OD1-NH1 2.6Å; D104-R122 PolarHBondContact OD1-NH1 3.22Å; D104-R122 IonicContact OD1-NH2 2.62Å; D104-R122 PolarHBondContact OD1-NH2 2.87Å; D104-R122 IonicContact OD2-CZ 3.92Å; D104-R122 VanDerWaalsContact OD2-CZ 3.32Å; D104-R122 IonicContact OD2-NH1 3.23Å; D104-R122 PolarHBondContact OD2-NH1 2.8Å; D104-R122 IonicContact OD2-NH2 3.8Å; D104-R122 PolarHBondContact OD2-NH2 3.39Å; A107-R122 HydrophobicContact CB-CB 4.23Å; A107-R122 HydrophobicContact CB-CG 3.43Å; A107-R122 VanDerWaalsContact CB-CG 3.43Å; L118-R122 WeakPolarHBondContact O-CG 3.45Å; L118-R122 PolarHBondContact O-N 3.41Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 3Å; R122-D124 VanDerWaalsContact C-N 3.33Å; R122-D124 PolarHBondContact O-N 3.16Å; R122-I125 PolarHBondContact O-N 3.16Å; R122-E126 WeakPolarHBondContact O-CG 3.46Å; R122-E126 PolarHBondContact O-N 3.32Å
123A96.9Very high97.9Very high47 Ų4728 Ų2839%0.38814%0.139SC..Hα-helixtrans-61.7-41178.300000112.1W119 E120 I125 E126 A127W119-A123 PolarHBondContact O-N 3.04Å; E120-A123 PolarHBondContact O-N 2.6Å; E120-A123 VanDerWaalsContact O-N 3.14Å; A123-I125 PolarHBondContact O-N 3.07Å; A123-E126 PolarHBondContact O-N 3.14Å; A123-A127 PolarHBondContact O-N 3.35Å; A123-A127 VanDerWaalsContact O-N 3.09Å
124D96.7Very high97.9Very high9 Ų930.1 Ų30.15%0.04815%0.151CC..Hα-helixtrans-60.7-43.4175.3-70.2-19.7000111.2K116 E120 A121 R122 A127 C128 F175 Y299K116-D124 IonicContact NZ-OD2 3.26Å; K116-D124 PolarHBondContact NZ-OD2 3.13Å; E120-D124 PolarHBondContact O-N 3.33Å; A121-D124 PolarHBondContact O-N 3.06Å; R122-D124 VanDerWaalsContact C-N 3.33Å; R122-D124 PolarHBondContact O-N 3.16Å; D124-A127 PolarHBondContact O-N 3.43Å; D124-C128 PolarHBondContact O-N 2.83Å; D124-C128 PolarHBondContact O-SG 3.06Å; D124-F175 VanDerWaalsContact OD2-CD1 3.23Å; D124-F175 WeakPolarHBondContact OD2-CD1 3.24Å; D124-F175 VanDerWaalsContact OD2-CE1 3.31Å; D124-F175 WeakPolarHBondContact OD2-CE1 3.29Å; D124-Y299 PolarHBondContact OD1-OH 3.48Å
125I98.6Very high97.9Very high1 Ų130 Ų301%0.00515%0.15CC..Hα-helixtrans-67.6-40.4179.4-64.7-58.1000112V99 T103 L106 E110 A121 R122 A123 C128 A129 F177V99-I125 HydrophobicContact CG1-CG2 3.87Å; T103-I125 HydrophobicContact CG2-CB 4.35Å; T103-I125 HydrophobicContact CG2-CG2 4.16Å; L106-I125 HydrophobicContact CB-CD1 3.72Å; L106-I125 HydrophobicContact CB-CG1 3.82Å; L106-I125 HydrophobicContact CB-CG2 4Å; L106-I125 HydrophobicContact CD1-CG2 3.88Å; E110-I125 HydrophobicContact CG-CD1 4.06Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 2.9Å; A121-I125 PolarHBondContact O-N 2.81Å; R122-I125 PolarHBondContact O-N 3.16Å; A123-I125 PolarHBondContact O-N 3.07Å; I125-C128 WeakPolarHBondContact O-CB 3.35Å; I125-C128 PolarHBondContact O-N 2.86Å; I125-C128 VanDerWaalsContact O-N 3.14Å; I125-A129 PolarHBondContact O-N 3.39Å; I125-F177 HydrophobicContact CD1-CB 3.82Å; I125-F177 HydrophobicContact CD1-CD1 3.29Å; I125-F177 HydrophobicContact CD1-CD2 4.42Å; I125-F177 HydrophobicContact CD1-CE1 3.87Å; I125-F177 HydrophobicContact CD1-CG 3.6Å
126E97.9Very high97.9Very high104 Ų10430 Ų3049%0.48615%0.15SC..Hα-helixtrans-60.4-46.7175.9-72.8173.6179.400111.2T103 R122 A123 C128 A129 D130T103-E126 HydrophobicContact CG2-CG 3.9Å; R122-E126 WeakPolarHBondContact O-CG 3.46Å; R122-E126 PolarHBondContact O-N 3.32Å; A123-E126 PolarHBondContact O-N 3.14Å; E126-C128 PolarHBondContact O-N 3.35Å; E126-A129 WeakPolarHBondContact O-CB 3.32Å; E126-A129 PolarHBondContact O-N 3.21Å; E126-A129 VanDerWaalsContact O-N 3.08Å; E126-D130 PolarHBondContact O-N 3.06Å; E126-D130 VanDerWaalsContact O-N 3.1Å
127A97.6Very high97.9Very high29 Ų2932.2 Ų32.224%0.2417%0.172CC..Hα-helixtrans-62.2-31174.800000112.9A123 D124 D130 S131 P470A123-A127 PolarHBondContact O-N 3.35Å; A123-A127 VanDerWaalsContact O-N 3.09Å; D124-A127 PolarHBondContact O-N 3.43Å; A127-D130 PolarHBondContact O-N 3.05Å; A127-S131 PolarHBondContact O-N 2.88Å; A127-S131 VanDerWaalsContact O-N 3.08Å; A127-S131 PolarHBondContact O-OG 3.14Å; A127-P470 VanDerWaalsContact O-CG 3.28Å; A127-P470 WeakPolarHBondContact O-CG 3.43Å
128C98.5Very high97.9Very high1 Ų134.6 Ų34.61%0.00718%0.183CC..Hα-helixtrans-69.2-39.2173.1-70.10000112.4D124 I125 E126 D130 S131 F132 F177 Q178 V181D124-C128 PolarHBondContact O-N 2.83Å; D124-C128 PolarHBondContact O-SG 3.06Å; I125-C128 WeakPolarHBondContact O-CB 3.35Å; I125-C128 PolarHBondContact O-N 2.86Å; I125-C128 VanDerWaalsContact O-N 3.14Å; E126-C128 PolarHBondContact O-N 3.35Å; C128-D130 VanDerWaalsContact C-N 3.31Å; C128-D130 PolarHBondContact O-N 2.98Å; C128-S131 VanDerWaalsContact O-CB 3.29Å; C128-S131 WeakPolarHBondContact O-CB 3.4Å; C128-S131 PolarHBondContact O-N 3.27Å; C128-S131 VanDerWaalsContact O-N 3.17Å; C128-F132 VanDerWaalsContact O-CD2 3.24Å; C128-F132 WeakPolarHBondContact O-CD2 3.14Å; C128-F132 PolarHBondContact O-N 3.36Å; C128-F177 HydrophobicContact CB-CD1 3.73Å; C128-F177 HydrophobicContact CB-CE1 3.62Å; C128-Q178 VanDerWaalsContact SG-CA 3.5Å; C128-V181 HydrophobicContact CB-CB 4.33Å; C128-V181 HydrophobicContact CB-CG1 4.06Å; C128-V181 HydrophobicContact CB-CG2 4.11Å
129A98.6Very high97.9Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-60.6-42.5173.400000111.2V99 R100 I125 E126 S131 F132 E133V99-A129 HydrophobicContact CB-CB 4.3Å; V99-A129 HydrophobicContact CG1-CB 3.96Å; R100-A129 HydrophobicContact CB-CB 4.01Å; I125-A129 PolarHBondContact O-N 3.39Å; E126-A129 WeakPolarHBondContact O-CB 3.32Å; E126-A129 PolarHBondContact O-N 3.21Å; E126-A129 VanDerWaalsContact O-N 3.08Å; A129-S131 VanDerWaalsContact C-N 3.26Å; A129-S131 PolarHBondContact O-N 2.84Å; A129-F132 WeakPolarHBondContact O-CB 3.33Å; A129-F132 PolarHBondContact O-N 3.31Å; A129-E133 PolarHBondContact O-N 3.36Å
130D98.2Very high97.9Very high72 Ų7230.7 Ų30.739%0.38517%0.173SC..Hα-helixtrans-62.7-33175.4-67.4-6.2000112.2R100 E126 A127 C128 F132 E133 L134 P470R100-D130 IonicContact CZ-OD1 2.8Å; R100-D130 IonicContact NH2-OD1 3.49Å; R100-D130 PolarHBondContact NH2-OD1 2.79Å; E126-D130 PolarHBondContact O-N 3.06Å; E126-D130 VanDerWaalsContact O-N 3.1Å; A127-D130 PolarHBondContact O-N 3.05Å; C128-D130 VanDerWaalsContact C-N 3.31Å; C128-D130 PolarHBondContact O-N 2.98Å; D130-F132 VanDerWaalsContact C-N 3.33Å; D130-F132 PolarHBondContact O-N 3.26Å; D130-E133 WeakPolarHBondContact O-CB 3.35Å; D130-E133 PolarHBondContact O-N 3.47Å; D130-L134 WeakPolarHBondContact O-CB 3.09Å; D130-L134 PolarHBondContact O-N 3.5Å; D130-P470 HydrophobicContact CB-CG 3.85Å
131S98.5Very high97.8Very high0 Ų034.4 Ų34.40%020%0.199CC..Hα-helixtrans-61.8-39.9175.4-59.70000112A127 C128 A129 E133 L134 F135 P470A127-S131 PolarHBondContact O-N 2.88Å; A127-S131 VanDerWaalsContact O-N 3.08Å; A127-S131 PolarHBondContact O-OG 3.14Å; C128-S131 VanDerWaalsContact O-CB 3.29Å; C128-S131 WeakPolarHBondContact O-CB 3.4Å; C128-S131 PolarHBondContact O-N 3.27Å; C128-S131 VanDerWaalsContact O-N 3.17Å; A129-S131 VanDerWaalsContact C-N 3.26Å; A129-S131 PolarHBondContact O-N 2.84Å; S131-E133 VanDerWaalsContact C-N 3.35Å; S131-L134 PolarHBondContact O-N 3.09Å; S131-F135 WeakPolarHBondContact O-CD2 3.16Å; S131-F135 PolarHBondContact O-N 3.35Å; S131-P470 WeakPolarHBondContact OG-CG 3.26Å
132F98.7Very high97.6Very high0 Ų036.1 Ų36.10%021%0.207CC..Hα-helixtrans-61.1-45.1174.4-78.5-82000111.9V95 V99 C128 A129 D130 A136 V181 V185 L209 Y213V95-F132 HydrophobicContact CB-CD1 3.73Å; V95-F132 HydrophobicContact CB-CE1 3.69Å; V95-F132 HydrophobicContact CB-CG 4.39Å; V95-F132 HydrophobicContact CB-CZ 4.36Å; V95-F132 HydrophobicContact CG1-CD1 3.8Å; V95-F132 HydrophobicContact CG1-CE1 3.28Å; V95-F132 HydrophobicContact CG1-CE2 4.13Å; V95-F132 HydrophobicContact CG1-CG 4.4Å; V95-F132 HydrophobicContact CG1-CZ 3.5Å; V95-F132 HydrophobicContact CG2-CE1 4.4Å; V99-F132 HydrophobicContact CG2-CD2 4.35Å; V99-F132 HydrophobicContact CG2-CE2 3.96Å; C128-F132 VanDerWaalsContact O-CD2 3.24Å; C128-F132 WeakPolarHBondContact O-CD2 3.14Å; C128-F132 PolarHBondContact O-N 3.36Å; A129-F132 WeakPolarHBondContact O-CB 3.33Å; A129-F132 PolarHBondContact O-N 3.31Å; D130-F132 VanDerWaalsContact C-N 3.33Å; D130-F132 PolarHBondContact O-N 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.29Å; F132-A136 PolarHBondContact O-N 3.36Å; F132-V181 HydrophobicContact CD2-CG1 4.42Å; F132-V181 HydrophobicContact CE2-CG1 3.96Å; F132-V181 HydrophobicContact CE2-CG2 3.79Å; F132-V181 HydrophobicContact CZ-CG1 4.5Å; F132-V181 HydrophobicContact CZ-CG2 4.16Å; F132-V185 HydrophobicContact CD1-CB 4.49Å; F132-V185 HydrophobicContact CD1-CG1 3.96Å; F132-V185 HydrophobicContact CD1-CG2 3.61Å; F132-V185 HydrophobicContact CD2-CG2 4.26Å; F132-V185 HydrophobicContact CE1-CB 4.38Å; F132-V185 HydrophobicContact CE1-CG1 4.31Å; F132-V185 HydrophobicContact CE1-CG2 3.22Å; F132-V185 HydrophobicContact CE2-CG2 3.91Å; F132-V185 HydrophobicContact CG-CG1 4.46Å; F132-V185 HydrophobicContact CG-CG2 4.1Å; F132-V185 HydrophobicContact CZ-CG2 3.35Å; F132-L209 HydrophobicContact CE2-CD1 4.48Å; F132-L209 HydrophobicContact CZ-CD1 3.92Å; F132-Y213 AromaticContact CE1-CE1 3.65Å; F132-Y213 HydrophobicContact CE1-CE1 3.65Å; F132-Y213 AromaticContact CE1-CZ 3.68Å; F132-Y213 WeakPolarHBondContact CE1-OH 3.41Å; F132-Y213 HydrophobicContact CZ-CE1 4.3Å; F132-Y213 AromaticContact CZ-CZ 3.94Å
133E97.5Very high97.2Very high106 Ų10637.2 Ų37.250%0.49522%0.222SC..Hα-helixtrans-61-48.1179.1-173.3170.4170.500111.4R100 A129 D130 S131 A136 G137R100-E133 IonicContact NH1-OE2 3.9Å; R100-E133 IonicContact NH2-OE2 2.8Å; A129-E133 PolarHBondContact O-N 3.36Å; D130-E133 WeakPolarHBondContact O-CB 3.35Å; D130-E133 PolarHBondContact O-N 3.47Å; S131-E133 VanDerWaalsContact C-N 3.35Å; E133-A136 PolarHBondContact O-N 3.36Å; E133-G137 PolarHBondContact O-N 3.05Å
134L98.2Very high97.1Very high46 Ų4636.2 Ų36.224%0.24122%0.216CC..Hα-helixtrans-57.6-55.8177.9178.668.9000112.2D130 S131 A136 G137 F138 P470 G471D130-L134 WeakPolarHBondContact O-CB 3.09Å; D130-L134 PolarHBondContact O-N 3.5Å; S131-L134 PolarHBondContact O-N 3.09Å; L134-A136 PolarHBondContact O-N 3.28Å; L134-G137 WeakPolarHBondContact O-CA 3.29Å; L134-G137 PolarHBondContact O-N 2.97Å; L134-F138 HydrophobicContact CD1-CE1 4.31Å; L134-F138 HydrophobicContact CD1-CE2 3.85Å; L134-F138 HydrophobicContact CD1-CZ 3.6Å; L134-F138 HydrophobicContact CD2-CE2 4.08Å; L134-F138 HydrophobicContact CD2-CZ 4.44Å; L134-F138 HydrophobicContact CG-CD2 4.37Å; L134-F138 HydrophobicContact CG-CE2 3.63Å; L134-F138 HydrophobicContact CG-CZ 3.94Å; L134-F138 PolarHBondContact O-N 3.38Å; L134-P470 HydrophobicContact CB-CB 4.43Å; L134-P470 HydrophobicContact CD2-CB 3.7Å; L134-G471 VanDerWaalsContact CD2-N 3.26Å
135F98.7Very high97Very high0 Ų039.9 Ų39.90%024%0.239CC..Hα-helixtrans-70.6-31.3-175.6-77.7-67000112.7S131 G137 F138 V185 P186 A189 S487 L491S131-F135 WeakPolarHBondContact O-CD2 3.16Å; S131-F135 PolarHBondContact O-N 3.35Å; F135-G137 VanDerWaalsContact C-N 3.26Å; F135-G137 PolarHBondContact O-N 2.92Å; F135-F138 AromaticContact CD1-CD2 3.8Å; F135-F138 HydrophobicContact CD1-CD2 3.8Å; F135-F138 HydrophobicContact CD1-CE2 4.25Å; F135-F138 HydrophobicContact CE1-CD2 4.22Å; F135-F138 HydrophobicContact CE1-CE2 4.3Å; F135-F138 PolarHBondContact O-N 3.28Å; F135-V185 HydrophobicContact CB-CG1 3.5Å; F135-V185 HydrophobicContact CD2-CB 4.21Å; F135-V185 HydrophobicContact CD2-CG1 3.82Å; F135-V185 HydrophobicContact CG-CG1 3.98Å; F135-P186 HydrophobicContact CD1-CB 3.83Å; F135-P186 HydrophobicContact CE1-CB 3.58Å; F135-P186 HydrophobicContact CE1-CG 4.3Å; F135-P186 HydrophobicContact CE2-CB 4.35Å; F135-P186 HydrophobicContact CE2-CG 4.27Å; F135-P186 HydrophobicContact CG-CB 4.36Å; F135-P186 HydrophobicContact CZ-CB 3.86Å; F135-P186 HydrophobicContact CZ-CG 4.07Å; F135-A189 HydrophobicContact CB-CB 4.13Å; F135-S487 VanDerWaalsContact CE1-O 3.3Å; F135-S487 WeakPolarHBondContact CE1-O 3.43Å; F135-S487 WeakPolarHBondContact CZ-O 3.16Å; F135-L491 HydrophobicContact CD1-CB 4.37Å; F135-L491 HydrophobicContact CE1-CB 4.17Å
136A98.5Very high97Very high0 Ų045.8 Ų45.80%027%0.266CS..Hα-helixtrans-62.3-37169.300000111.6A89 L92 R93 F132 E133 L134 F138 I139A89-A136 WeakPolarHBondContact CB-O 3.37Å; L92-A136 HydrophobicContact CB-CB 3.85Å; R93-A136 HydrophobicContact CG-CB 3.67Å; F132-A136 WeakPolarHBondContact O-CB 3.29Å; F132-A136 PolarHBondContact O-N 3.36Å; E133-A136 PolarHBondContact O-N 3.36Å; L134-A136 PolarHBondContact O-N 3.28Å; A136-F138 VanDerWaalsContact C-N 3.32Å; A136-F138 PolarHBondContact O-N 3.3Å; A136-I139 PolarHBondContact O-N 3.24Å
137G97.9Very high96.9Very high45 Ų4542.7 Ų42.746%0.46426%0.256SS..Hα-helixtrans-63.6-31.7174.800000114E133 L134 F135 P140E133-G137 PolarHBondContact O-N 3.05Å; L134-G137 WeakPolarHBondContact O-CA 3.29Å; L134-G137 PolarHBondContact O-N 2.97Å; F135-G137 VanDerWaalsContact C-N 3.26Å; F135-G137 PolarHBondContact O-N 2.92Å; G137-P140 WeakPolarHBondContact O-CD 3.28Å
138F97.7Very high96.8Very high51 Ų5145.6 Ų45.622%0.22427%0.273CS..Hα-helixtrans-75.5-23.1177.4-65.8-42.4000114.5L134 F135 A136 S141 F142 V488 L491L134-F138 HydrophobicContact CD1-CE1 4.31Å; L134-F138 HydrophobicContact CD1-CE2 3.85Å; L134-F138 HydrophobicContact CD1-CZ 3.6Å; L134-F138 HydrophobicContact CD2-CE2 4.08Å; L134-F138 HydrophobicContact CD2-CZ 4.44Å; L134-F138 HydrophobicContact CG-CD2 4.37Å; L134-F138 HydrophobicContact CG-CE2 3.63Å; L134-F138 HydrophobicContact CG-CZ 3.94Å; L134-F138 PolarHBondContact O-N 3.38Å; F135-F138 AromaticContact CD1-CD2 3.8Å; F135-F138 HydrophobicContact CD1-CD2 3.8Å; F135-F138 HydrophobicContact CD1-CE2 4.25Å; F135-F138 HydrophobicContact CE1-CD2 4.22Å; F135-F138 HydrophobicContact CE1-CE2 4.3Å; F135-F138 PolarHBondContact O-N 3.28Å; A136-F138 VanDerWaalsContact C-N 3.32Å; A136-F138 PolarHBondContact O-N 3.3Å; F138-S141 PolarHBondContact O-N 2.99Å; F138-S141 VanDerWaalsContact O-N 3.16Å; F138-S141 PolarHBondContact O-OG 2.78Å; F138-S141 VanDerWaalsContact O-OG 3.14Å; F138-F142 WeakPolarHBondContact O-CB 3.47Å; F138-F142 PolarHBondContact O-N 2.88Å; F138-V488 HydrophobicContact CE2-CB 4.13Å; F138-V488 HydrophobicContact CZ-CB 4.03Å; F138-L491 HydrophobicContact CB-CD2 3.53Å; F138-L491 HydrophobicContact CD2-CD2 4.21Å; F138-L491 HydrophobicContact CG-CD2 4.15Å
139I97.6Very high96.5Very high1 Ų147.4 Ų47.41%0.00528%0.283CS..G310 helixtrans-53-48.8-173.3-68.2173.2000113.1L85 R88 A89 L92 A136 S141 F142 A189L85-I139 HydrophobicContact CB-CG2 4.07Å; L85-I139 HydrophobicContact CD2-CG2 4.11Å; L85-I139 WeakPolarHBondContact O-CG2 3.39Å; R88-I139 HydrophobicContact CB-CD1 4.18Å; A89-I139 HydrophobicContact CB-CB 4.35Å; A89-I139 HydrophobicContact CB-CD1 4.24Å; L92-I139 HydrophobicContact CD1-CD1 3.78Å; L92-I139 HydrophobicContact CG-CD1 4.47Å; A136-I139 PolarHBondContact O-N 3.24Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.09Å; I139-F142 PolarHBondContact O-N 2.88Å; I139-A189 HydrophobicContact CD1-CB 4.15Å; I139-A189 HydrophobicContact CG1-CB 3.85Å
140P96Very high96Very high55 Ų5552.5 Ų52.536%0.35732%0.316SS..G310 helixtrans-72.4-23.5-175.7-18.434.8000113.5L86 G137L86-P140 HydrophobicContact CD2-CB 4.21Å; L86-P140 HydrophobicContact CD2-CG 3.75Å; G137-P140 WeakPolarHBondContact O-CD 3.28Å
141S94.4Very high95.6Very high79 Ų7954.6 Ų54.655%0.55233%0.334SS*.G310 helixtrans-96.70.6179.757.30000113.3F138 I139 V143F138-S141 PolarHBondContact O-N 2.99Å; F138-S141 VanDerWaalsContact O-N 3.16Å; F138-S141 PolarHBondContact O-OG 2.78Å; F138-S141 VanDerWaalsContact O-OG 3.14Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.09Å; S141-V143 VanDerWaalsContact C-N 3.26Å; S141-V143 PolarHBondContact O-N 3.38Å
142F94.1Very high94.8Very high37 Ų3757.9 Ų57.916%0.16235%0.352CS..  trans-7973.3179.4-165.8-122.1000111.9F138 I139 R161 A190 L491 L492 S495F138-F142 WeakPolarHBondContact O-CB 3.47Å; F138-F142 PolarHBondContact O-N 2.88Å; I139-F142 PolarHBondContact O-N 2.88Å; F142-R161 HydrophobicContact CD1-CB 4.18Å; F142-R161 HydrophobicContact CE1-CB 3.72Å; F142-R161 HydrophobicContact CE1-CG 4.42Å; F142-R161 HydrophobicContact CZ-CB 4.05Å; F142-R161 HydrophobicContact CZ-CG 4.29Å; F142-A190 HydrophobicContact CE1-CB 4.16Å; F142-L491 HydrophobicContact CB-CD2 4.35Å; F142-L491 HydrophobicContact CD2-CD2 3.36Å; F142-L491 HydrophobicContact CD2-CG 3.81Å; F142-L491 HydrophobicContact CE1-CG 4.44Å; F142-L491 HydrophobicContact CE2-CB 4.4Å; F142-L491 HydrophobicContact CE2-CD2 3.59Å; F142-L491 HydrophobicContact CE2-CG 3.5Å; F142-L491 VanDerWaalsContact CE2-CG 3.5Å; F142-L491 HydrophobicContact CG-CD2 3.92Å; F142-L491 HydrophobicContact CG-CG 4.37Å; F142-L491 HydrophobicContact CZ-CD1 4.49Å; F142-L491 HydrophobicContact CZ-CD2 4.32Å; F142-L491 HydrophobicContact CZ-CG 3.82Å; F142-L492 HydrophobicContact CD2-CD2 4.44Å; F142-L492 HydrophobicContact CE2-CD2 3.66Å; F142-S495 VanDerWaalsContact CZ-OG 3.31Å; F142-S495 WeakPolarHBondContact CZ-OG 3.44Å
143V90.7Very high94.2Very high99 Ų9963.4 Ų63.460%0.639%0.388SS*.  trans-116170.2-174.2-60.20000112S141S141-V143 VanDerWaalsContact C-N 3.26Å; S141-V143 PolarHBondContact O-N 3.38Å
144G93.9Very high93.9Very high26 Ų2661.1 Ų61.127%0.26839%0.392SS..  trans-92.9-165.4166.300000112.4T159G144-T159 VanDerWaalsContact CA-O 3.29Å; G144-T159 WeakPolarHBondContact CA-O 3.39Å; G144-T159 WeakPolarHBondContact CA-OG1 3.17Å
145T96.2Very high93.8Very high85 Ų8559.1 Ų59.152%0.52138%0.382SS..  trans-116.4158.7-175.556.50000110.6Y158 T159T145-Y158 CarbonylContact O-C 3.58Å; T145-Y158 WeakPolarHBondContact O-CA 3.36Å; T145-Y158 WeakPolarHBondContact O-CB 3.09Å; T145-T159 PolarHBondContact N-OG1 2.99Å; T145-T159 PolarHBondContact O-N 3.38Å; T145-T159 PolarHBondContact OG1-OG1 3.1Å
146H97.2Very high93.7Very high125 Ų12562 Ų6258%0.57940%0.395SS*.EExtended strand (participates in β ladder)trans-126.5132.6170.1176.4-72.4000108.4F156H146-F156 AromaticContact CD2-CD2 3.63Å; H146-F156 AromaticContact CE1-CD2 3.97Å; H146-F156 AromaticContact CE1-CG 3.95Å; H146-F156 AromaticContact NE2-CD2 3.09Å; H146-F156 WeakPolarHBondContact NE2-CD2 3.24Å; H146-F156 AromaticContact NE2-CE2 3.63Å; H146-F156 AromaticContact NE2-CG 3.44Å; H146-F156 WeakPolarHBondContact NE2-CG 3.34Å
147S96.4Very high93.6Very high39 Ų3966 Ų6627%0.27341%0.411SS..EExtended strand (participates in β ladder)trans-142.7138.2180-177.50000111.6F156 Y157S147-F156 CarbonylContact O-C 3.57Å; S147-F156 WeakPolarHBondContact O-CA 3.24Å; S147-F156 WeakPolarHBondContact O-CB 3.38Å; S147-Y157 VanDerWaalsContact CB-CE1 3.49Å; S147-Y157 PolarHBondContact N-O 3.12Å; S147-Y157 PolarHBondContact O-N 3.02Å
148P94.9Very high93.6Very high91 Ų9168 Ų6859%0.59141%0.405SS*.EExtended strand (participates in β ladder)trans-65156.9168.930.3-35000111.1
149V93.5Very high93.6Very high38 Ų3866.2 Ų66.223%0.2340%0.398CS..  trans-122.787177-175.40000110.2N152 S155 Y157 Y501V149-N152 PolarHBondContact O-N 3.12Å; V149-S155 PolarHBondContact N-O 3.04Å; V149-Y157 HydrophobicContact CG2-CD1 3.62Å; V149-Y157 HydrophobicContact CG2-CE1 4.43Å; V149-Y501 HydrophobicContact CB-CE2 4.02Å; V149-Y501 HydrophobicContact CG1-CE2 3.98Å; V149-Y501 HydrophobicContact CG2-CD2 4.18Å; V149-Y501 HydrophobicContact CG2-CE2 3.94Å
150P88.1Confident93.5Very high107 Ų10771.8 Ų71.870%0.69542%0.419SS*.THydrogen-bonded Turntrans-68.3157.1173.429.4-34.3000111.8
151P88.1Confident93.5Very high117 Ų11772.9 Ų72.976%0.7642%0.416SS*.THydrogen-bonded Turncis-83.3-0.31.934.5-36000114.6P153P151-P153 WeakPolarHBondContact O-CD 3.21Å
152N83.3Confident93.7Very high69 Ų6970.5 Ų70.537%0.36940%0.396SS..SBendtrans-70.5108-173.4-66.7-4.9000111.4V149 G154 S155V149-N152 PolarHBondContact O-N 3.12Å; N152-G154 PolarHBondContact O-N 3Å; N152-S155 PolarHBondContact O-N 3.37Å
153P85.7Confident93.9Very high116 Ų11670.1 Ų70.175%0.75340%0.397SS*.THydrogen-bonded Turntrans-62.9131.7-179.7-19.934.5000110.6P151 S155P151-P153 WeakPolarHBondContact O-CD 3.21Å; P153-S155 VanDerWaalsContact C-N 3.28Å; P153-S155 PolarHBondContact O-N 2.89Å
154G90.6Very high94.2Very high58 Ų5866.9 Ų66.960%0.59838%0.375SS*.THydrogen-bonded Turntrans84.7-12.8179.900000115.2N152 F156N152-G154 PolarHBondContact O-N 3Å; G154-F156 WeakPolarHBondContact O-CD1 3.44Å
155S95.8Very high94.5Very high4 Ų466.3 Ų66.33%0.02837%0.369CS..  trans-80140.2176.6-58.50000111.6V149 N152 P153 Y501 V502 E503 G504V149-S155 PolarHBondContact N-O 3.04Å; N152-S155 PolarHBondContact O-N 3.37Å; P153-S155 VanDerWaalsContact C-N 3.28Å; P153-S155 PolarHBondContact O-N 2.89Å; S155-Y501 WeakPolarHBondContact CB-OH 3.44Å; S155-V502 WeakPolarHBondContact CA-O 3.12Å; S155-E503 PolarHBondContact OG-OE1 3.01Å; S155-G504 PolarHBondContact OG-N 3.03Å
156F96.6Very high94.6Very high60 Ų6062.3 Ų62.326%0.26334%0.344SS..EExtended strand (participates in β ladder)trans-148.4162.818062.2-86.7000110.2H146 S147 G154 Y158 V502H146-F156 AromaticContact CD2-CD2 3.63Å; H146-F156 AromaticContact CE1-CD2 3.97Å; H146-F156 AromaticContact CE1-CG 3.95Å; H146-F156 AromaticContact NE2-CD2 3.09Å; H146-F156 WeakPolarHBondContact NE2-CD2 3.24Å; H146-F156 AromaticContact NE2-CE2 3.63Å; H146-F156 AromaticContact NE2-CG 3.44Å; H146-F156 WeakPolarHBondContact NE2-CG 3.34Å; S147-F156 CarbonylContact O-C 3.57Å; S147-F156 WeakPolarHBondContact O-CA 3.24Å; S147-F156 WeakPolarHBondContact O-CB 3.38Å; G154-F156 WeakPolarHBondContact O-CD1 3.44Å; F156-Y158 HydrophobicContact CD2-CD1 4.19Å; F156-Y158 AromaticContact CE2-CD1 3.81Å; F156-Y158 HydrophobicContact CE2-CD1 3.81Å; F156-Y158 HydrophobicContact CE2-CE1 4.26Å; F156-V502 HydrophobicContact CD1-CB 4.15Å; F156-V502 HydrophobicContact CD1-CG1 4.45Å; F156-V502 HydrophobicContact CD2-CB 4.24Å; F156-V502 HydrophobicContact CD2-CG2 4.23Å; F156-V502 HydrophobicContact CE1-CB 3.76Å; F156-V502 HydrophobicContact CE1-CG1 3.72Å; F156-V502 HydrophobicContact CE1-CG2 4.3Å; F156-V502 HydrophobicContact CE2-CB 3.89Å; F156-V502 HydrophobicContact CE2-CG2 3.6Å; F156-V502 HydrophobicContact CG-CB 4.38Å; F156-V502 HydrophobicContact CZ-CB 3.63Å; F156-V502 HydrophobicContact CZ-CG1 3.76Å; F156-V502 HydrophobicContact CZ-CG2 3.64Å; F156-V502 PolarHBondContact N-O 3.38Å; F156-V502 VanDerWaalsContact N-O 3.15Å; F156-V502 PolarHBondContact O-N 2.74Å
157Y97.2Very high94.7Very high84 Ų8456.4 Ų56.433%0.32932%0.317SS..EExtended strand (participates in β ladder)trans-122.1153.7160.476.5-89.4000109.8S147 V149 T159 I500S147-Y157 VanDerWaalsContact CB-CE1 3.49Å; S147-Y157 PolarHBondContact N-O 3.12Å; S147-Y157 PolarHBondContact O-N 3.02Å; V149-Y157 HydrophobicContact CG2-CD1 3.62Å; V149-Y157 HydrophobicContact CG2-CE1 4.43Å; Y157-T159 HydrophobicContact CD2-CG2 4.05Å; Y157-T159 HydrophobicContact CE2-CG2 3.94Å; Y157-I500 CarbonylContact C-O 3.42Å; Y157-I500 WeakPolarHBondContact CA-O 3.45Å; Y157-I500 WeakPolarHBondContact CB-O 3.47Å
158Y97.8Very high94.8Very high88 Ų8854.6 Ų54.635%0.34531%0.305SS..EExtended strand (participates in β ladder)trans-130.4156.9165.865-82.4000110.5T145 F156 S499 I500 V502T145-Y158 CarbonylContact O-C 3.58Å; T145-Y158 WeakPolarHBondContact O-CA 3.36Å; T145-Y158 WeakPolarHBondContact O-CB 3.09Å; F156-Y158 HydrophobicContact CD2-CD1 4.19Å; F156-Y158 AromaticContact CE2-CD1 3.81Å; F156-Y158 HydrophobicContact CE2-CD1 3.81Å; F156-Y158 HydrophobicContact CE2-CE1 4.26Å; Y158-S499 WeakPolarHBondContact O-CA 3.26Å; Y158-I500 HydrophobicContact CD1-CB 4.21Å; Y158-I500 HydrophobicContact CD1-CG2 4.42Å; Y158-I500 HydrophobicContact CD2-CB 4.47Å; Y158-I500 HydrophobicContact CD2-CD1 4.42Å; Y158-I500 HydrophobicContact CE1-CB 3.74Å; Y158-I500 HydrophobicContact CE1-CG2 3.59Å; Y158-I500 HydrophobicContact CE2-CB 4.05Å; Y158-I500 HydrophobicContact CE2-CD1 3.51Å; Y158-I500 HydrophobicContact CE2-CG1 4.29Å; Y158-I500 PolarHBondContact N-O 2.98Å; Y158-I500 PolarHBondContact O-N 3.28Å; Y158-I500 WeakPolarHBondContact OH-CD1 3.28Å; Y158-V502 HydrophobicContact CD1-CG2 4.42Å; Y158-V502 HydrophobicContact CE1-CG2 3.98Å
159T97.9Very high95Very high12 Ų1250.3 Ų50.37%0.07428%0.277CS..EExtended strand (participates in β ladder)trans-114.9156176.266.40000110.5G144 T145 Y157 L497 K498G144-T159 VanDerWaalsContact CA-O 3.29Å; G144-T159 WeakPolarHBondContact CA-O 3.39Å; G144-T159 WeakPolarHBondContact CA-OG1 3.17Å; T145-T159 PolarHBondContact N-OG1 2.99Å; T145-T159 PolarHBondContact O-N 3.38Å; T145-T159 PolarHBondContact OG1-OG1 3.1Å; Y157-T159 HydrophobicContact CD2-CG2 4.05Å; Y157-T159 HydrophobicContact CE2-CG2 3.94Å; T159-L497 HydrophobicContact CG2-CD1 4.47Å; T159-L497 HydrophobicContact CG2-CD2 4.13Å; T159-L497 HydrophobicContact CG2-CG 4.27Å; T159-K498 CarbonylContact C-O 3.55Å; T159-K498 WeakPolarHBondContact CA-O 3.36Å
160R95.9Very high95.2Very high119 Ų11949.3 Ų49.345%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-137.4148.6167.770-176.7-159.3-174.15.4110.1E162 K498R160-E162 HydrophobicContact CG-CG 4.18Å; R160-E162 IonicContact CZ-OE1 3.74Å; R160-E162 IonicContact NE-OE1 2.85Å; R160-E162 PolarHBondContact NE-OE1 3.11Å; R160-E162 IonicContact NH2-OE1 3.31Å; R160-E162 PolarHBondContact NH2-OE1 3.03Å; R160-K498 HydrophobicContact CG-CB 3.95Å; R160-K498 HydrophobicContact CG-CD 4.45Å; R160-K498 HydrophobicContact CG-CG 4.4Å; R160-K498 PolarHBondContact N-O 2.72Å; R160-K498 PolarHBondContact O-N 3.4Å
161R96.1Very high95.7Very high78 Ų7844.5 Ų44.529%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-93.3130.1171.4-69.2-166.1174.7-95.7-1109.9F142 L492 S495 Q496 L497F142-R161 HydrophobicContact CD1-CB 4.18Å; F142-R161 HydrophobicContact CE1-CB 3.72Å; F142-R161 HydrophobicContact CE1-CG 4.42Å; F142-R161 HydrophobicContact CZ-CB 4.05Å; F142-R161 HydrophobicContact CZ-CG 4.29Å; R161-L492 VanDerWaalsContact NH2-CD2 3.26Å; R161-S495 PolarHBondContact NH1-OG 3.33Å; R161-Q496 WeakPolarHBondContact CA-O 3.4Å; R161-L497 HydrophobicContact CG-CD1 4.02Å
162E97.1Very high96.1Very high29 Ų2939.8 Ų39.814%0.13621%0.211CC..EExtended strand (participates in β ladder)trans-119141179.3-61.3-173.7152.700110.8R160 S495 Q496 K498R160-E162 HydrophobicContact CG-CG 4.18Å; R160-E162 IonicContact CZ-OE1 3.74Å; R160-E162 IonicContact NE-OE1 2.85Å; R160-E162 PolarHBondContact NE-OE1 3.11Å; R160-E162 IonicContact NH2-OE1 3.31Å; R160-E162 PolarHBondContact NH2-OE1 3.03Å; E162-S495 CarbonylContact O-C 3.46Å; E162-S495 WeakPolarHBondContact O-CA 3.47Å; E162-S495 WeakPolarHBondContact O-CB 3.38Å; E162-Q496 HydrophobicContact CB-CG 3.99Å; E162-Q496 PolarHBondContact N-O 3.19Å; E162-Q496 PolarHBondContact O-N 3.29Å; E162-Q496 PolarHBondContact OE2-NE2 3.42Å; E162-K498 WeakPolarHBondContact OE1-CD 3.42Å; E162-K498 WeakPolarHBondContact OE1-CE 3.37Å; E162-K498 IonicContact OE1-NZ 3.23Å; E162-K498 PolarHBondContact OE1-NZ 3.33Å; E162-K498 VanDerWaalsContact OE2-CE 3.31Å; E162-K498 WeakPolarHBondContact OE2-CE 3.5Å; E162-K498 IonicContact OE2-NZ 2.73Å; E162-K498 PolarHBondContact OE2-NZ 3.5Å
163P98.1Very high96.8Very high29 Ų2938.6 Ų38.619%0.18820%0.201CC..EExtended strand (participates in β ladder)trans-65153.3168.226.6-32.3000111I81 G165 A190 G191 N192I81-P163 HydrophobicContact CD1-CG 4.07Å; I81-P163 HydrophobicContact CG1-CG 4.41Å; P163-G165 VanDerWaalsContact C-N 3.34Å; P163-A190 WeakPolarHBondContact CB-O 3.4Å; P163-G191 WeakPolarHBondContact CB-O 3.3Å; P163-N192 VanDerWaalsContact CB-OD1 3.31Å; P163-N192 WeakPolarHBondContact CB-OD1 3.46Å
164F98.5Very high97.4Very high31 Ų3133.3 Ų33.314%0.13617%0.166CC..  trans-72.1-27.3171.4-69.3-69.4000113.1N192 R243 K244 P267 A493 Y494 S495 Q496F164-N192 PolarHBondContact N-OD1 2.92Å; F164-R243 HydrophobicContact CB-CB 3.93Å; F164-K244 HydrophobicContact CB-CB 4.49Å; F164-K244 HydrophobicContact CD2-CB 4.02Å; F164-K244 HydrophobicContact CD2-CD 3.8Å; F164-K244 HydrophobicContact CE2-CD 3.76Å; F164-K244 HydrophobicContact CG-CB 4.24Å; F164-P267 HydrophobicContact CE1-CG 3.85Å; F164-P267 HydrophobicContact CZ-CB 4.42Å; F164-P267 HydrophobicContact CZ-CG 3.93Å; F164-A493 WeakPolarHBondContact CE2-O 3.46Å; F164-Y494 WeakPolarHBondContact CD2-O 3.4Å; F164-Y494 VanDerWaalsContact CE2-C 3.47Å; F164-S495 WeakPolarHBondContact CE2-O 3.42Å; F164-S495 WeakPolarHBondContact CZ-O 3.27Å; F164-Q496 HydrophobicContact CE1-CB 3.91Å; F164-Q496 HydrophobicContact CE1-CG 4.48Å; F164-Q496 HydrophobicContact CZ-CB 4.17Å
165G98.7Very high97.8Very high13 Ų1330.7 Ų30.713%0.13414%0.138CC..SBendtrans112.7-116.3-173.300000110.5P163 N192 S193P163-G165 VanDerWaalsContact C-N 3.34Å; G165-N192 PolarHBondContact N-OD1 3.49Å; G165-N192 CarbonylContact O-C 3.58Å; G165-N192 VanDerWaalsContact O-CA 3.24Å; G165-N192 WeakPolarHBondContact O-CA 3.1Å; G165-N192 WeakPolarHBondContact O-CB 3.39Å; G165-N192 PolarHBondContact O-OD1 3.47Å; G165-S193 PolarHBondContact O-N 3.49Å
166L98.9Very high97.9Very high2 Ų230.6 Ų30.61%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-83.9120174.6168.658.9000110.4A70 A73 I195 L241 V242 R243A70-L166 HydrophobicContact CB-CD2 3.78Å; A73-L166 HydrophobicContact CB-CD1 3.75Å; A73-L166 HydrophobicContact CB-CD2 4.34Å; L166-I195 HydrophobicContact CD1-CB 4.42Å; L166-I195 HydrophobicContact CD1-CD1 3.9Å; L166-I195 HydrophobicContact CD1-CG1 3.8Å; L166-I195 HydrophobicContact CD2-CD1 4.12Å; L166-L241 HydrophobicContact CD2-CB 4.03Å; L166-V242 HydrophobicContact CD2-CG2 3.94Å; L166-V242 HydrophobicContact CG-CG2 4.05Å; L166-R243 PolarHBondContact O-N 2.59Å
167C98.9Very high98Very high0 Ų027.8 Ų27.80%013%0.126CC..EExtended strand (participates in β ladder)trans-105.8152.1170.9-63.70000110.6N192 S193 F194 I195 K244 Y494C167-N192 VanDerWaalsContact SG-CG 3.59Å; C167-S193 PolarHBondContact N-O 3.45Å; C167-F194 HydrophobicContact CB-CD2 3.72Å; C167-F194 HydrophobicContact CB-CE2 3.93Å; C167-F194 WeakPolarHBondContact O-CA 3.33Å; C167-I195 PolarHBondContact O-N 3.12Å; C167-K244 WeakPolarHBondContact CA-O 3.47Å; C167-Y494 HydrophobicContact CB-CD1 4.32Å; C167-Y494 HydrophobicContact CB-CE1 4.11Å
168A98.9Very high98.1Very high2 Ų224.2 Ų24.22%0.01711%0.112CC..EExtended strand (participates in β ladder)trans-121.8145.817500000111.9I195 L236 V242 K244 V245 S246A168-I195 CarbonylContact C-O 3.58Å; A168-I195 VanDerWaalsContact CA-O 3.28Å; A168-I195 WeakPolarHBondContact CA-O 3.1Å; A168-L236 HydrophobicContact CB-CD1 3.87Å; A168-L236 HydrophobicContact CB-CD2 4.01Å; A168-L236 HydrophobicContact CB-CG 3.78Å; A168-V242 HydrophobicContact CB-CG1 3.7Å; A168-V242 HydrophobicContact CB-CG2 4.02Å; A168-K244 PolarHBondContact N-O 2.93Å; A168-V245 HydrophobicContact CB-CG1 4.32Å; A168-V245 CarbonylContact O-C 3.56Å; A168-V245 WeakPolarHBondContact O-CA 3.35Å; A168-S246 PolarHBondContact O-N 2.9Å
169G98.7Very high98.1Very high0 Ų020.3 Ų20.30%010%0.097CC..EExtended strand (participates in β ladder)trans-126.4139176.800000111.9F194 I195 F196 K197 S246G169-F194 VanDerWaalsContact CA-CZ 3.42Å; G169-I195 PolarHBondContact N-O 3.2Å; G169-F196 CarbonylContact O-C 3.45Å; G169-F196 WeakPolarHBondContact O-CA 3.46Å; G169-K197 PolarHBondContact O-N 3.44Å; G169-S246 CarbonylContact C-O 3.4Å; G169-S246 VanDerWaalsContact CA-O 3.26Å; G169-S246 WeakPolarHBondContact CA-O 3.5Å
170I98.8Very high98.1Very high18 Ų1819.8 Ų19.89%0.0929%0.093CC..EExtended strand (participates in β ladder)trans-122.3127.4168.8-62174.9000107.9K197 V237 S246 F247 T248I170-K197 HydrophobicContact CG1-CB 4.23Å; I170-V237 HydrophobicContact CD1-CG2 3.7Å; I170-S246 PolarHBondContact N-O 2.82Å; I170-F247 HydrophobicContact CB-CD2 3.76Å; I170-F247 HydrophobicContact CB-CE2 4.39Å; I170-F247 HydrophobicContact CD1-CD2 4.3Å; I170-F247 HydrophobicContact CG2-CD2 3.73Å; I170-F247 HydrophobicContact CG2-CE2 3.84Å; I170-T248 PolarHBondContact O-N 3.15Å
171G98.2Very high98.2Very high5 Ų514.1 Ų14.15%0.0527%0.072CC..  trans-112.1151.3-176.900000114K197 S199G171-K197 PolarHBondContact N-O 2.88Å; G171-K197 VanDerWaalsContact N-O 3.1Å; G171-S199 PolarHBondContact O-N 3.21Å
172A97.5Very high98.3Very high19 Ų1910.7 Ų10.716%0.1576%0.059CC..  trans-78.5174.8168.100000111.5T248A172-T248 HydrophobicContact CB-CG2 4.27Å; A172-T248 PolarHBondContact N-O 3.06Å
173W98Very high98.4Very high44 Ų449.3 Ų9.317%0.1675%0.053CC..SBendtrans-93.4-10.9-172.848.9-101.7000115.4T114 P176 L201 T202 Q303 I348 F410T114-W173 WeakPolarHBondContact CG2-O 3.16Å; W173-P176 VanDerWaalsContact O-CD 3.31Å; W173-P176 WeakPolarHBondContact O-CD 2.99Å; W173-P176 WeakPolarHBondContact O-CG 3.29Å; W173-L201 HydrophobicContact CB-CB 4.37Å; W173-L201 HydrophobicContact CG-CD1 4.35Å; W173-T202 WeakPolarHBondContact CA-OG1 3.32Å; W173-T202 HydrophobicContact CB-CG2 3.78Å; W173-T202 WeakPolarHBondContact O-CG2 2.99Å; W173-Q303 HydrophobicContact CH2-CB 3.78Å; W173-Q303 VanDerWaalsContact CH2-CD 3.47Å; W173-Q303 HydrophobicContact CH2-CG 3.81Å; W173-Q303 HydrophobicContact CZ3-CB 3.82Å; W173-Q303 VanDerWaalsContact CZ3-CD 3.46Å; W173-Q303 HydrophobicContact CZ3-CG 4.07Å; W173-I348 HydrophobicContact CD2-CB 4.18Å; W173-I348 HydrophobicContact CD2-CD1 4.43Å; W173-I348 HydrophobicContact CD2-CG1 3.91Å; W173-I348 HydrophobicContact CD2-CG2 4.14Å; W173-I348 HydrophobicContact CE3-CB 3.72Å; W173-I348 HydrophobicContact CE3-CD1 3.91Å; W173-I348 HydrophobicContact CE3-CG1 3.7Å; W173-I348 HydrophobicContact CE3-CG2 4.06Å; W173-I348 HydrophobicContact CG-CG1 4.3Å; W173-I348 HydrophobicContact CH2-CB 3.97Å; W173-I348 HydrophobicContact CH2-CG2 3.62Å; W173-I348 HydrophobicContact CZ2-CB 4.41Å; W173-I348 HydrophobicContact CZ2-CG2 3.71Å; W173-I348 HydrophobicContact CZ3-CB 3.63Å; W173-I348 HydrophobicContact CZ3-CG1 4.16Å; W173-I348 HydrophobicContact CZ3-CG2 3.83Å; W173-F410 AromaticContact CH2-CD1 3.51Å; W173-F410 HydrophobicContact CH2-CD1 3.51Å; W173-F410 AromaticContact CH2-CE1 3.31Å; W173-F410 HydrophobicContact CH2-CE1 3.31Å; W173-F410 AromaticContact CZ2-CD1 3.56Å; W173-F410 HydrophobicContact CZ2-CD1 3.56Å; W173-F410 AromaticContact CZ2-CE1 3.4Å; W173-F410 HydrophobicContact CZ2-CE1 3.4Å; W173-F410 HydrophobicContact CZ3-CE1 4.02Å
174N98.1Very high98.4Very high4 Ų48 Ų82%0.0214%0.044CC..SBendtrans-85.8-28.2-169.660.5-39.3000114.3K116 P176 Q303 F410K116-N174 WeakPolarHBondContact CE-O 3.28Å; K116-N174 PolarHBondContact NZ-O 3.27Å; N174-P176 VanDerWaalsContact C-CD 3.5Å; N174-Q303 HydrophobicContact CB-CB 4.49Å; N174-Q303 WeakPolarHBondContact CB-O 3.17Å; N174-Q303 PolarHBondContact ND2-O 2.96Å; N174-F410 HydrophobicContact CB-CE1 4.16Å; N174-F410 HydrophobicContact CB-CZ 4.17Å; N174-F410 WeakPolarHBondContact ND2-CZ 3.41Å
175F98Very high98.4Very high3 Ų36.5 Ų6.51%0.0134%0.037CC..SBendtrans-132.462.9169.5-61.3-93.2000111.3K116 D124 F177 Q178 M179 Y299 T300 V304K116-F175 VanDerWaalsContact NZ-CE1 3.29Å; D124-F175 VanDerWaalsContact OD2-CD1 3.23Å; D124-F175 WeakPolarHBondContact OD2-CD1 3.24Å; D124-F175 VanDerWaalsContact OD2-CE1 3.31Å; D124-F175 WeakPolarHBondContact OD2-CE1 3.29Å; F175-F177 PolarHBondContact O-N 3.29Å; F175-Q178 HydrophobicContact CB-CB 3.88Å; F175-Q178 PolarHBondContact O-N 3.32Å; F175-M179 HydrophobicContact CB-CE 4.34Å; F175-M179 HydrophobicContact CB-CG 4.48Å; F175-M179 WeakPolarHBondContact O-CB 3.43Å; F175-M179 WeakPolarHBondContact O-CG 3.12Å; F175-M179 PolarHBondContact O-N 3.46Å; F175-Y299 AromaticContact CE1-CE1 3.94Å; F175-Y299 HydrophobicContact CE1-CE1 3.94Å; F175-Y299 HydrophobicContact CZ-CD1 4.42Å; F175-Y299 AromaticContact CZ-CE1 3.89Å; F175-Y299 HydrophobicContact CZ-CE1 3.89Å; F175-T300 HydrophobicContact CZ-CG2 4.22Å; F175-V304 HydrophobicContact CE2-CB 4.41Å; F175-V304 HydrophobicContact CE2-CG1 4.13Å; F175-V304 HydrophobicContact CE2-CG2 4.07Å; F175-V304 HydrophobicContact CZ-CG1 4.36Å; F175-V304 HydrophobicContact CZ-CG2 3.98Å
176P98.5Very high98.4Very high3 Ų35.9 Ų5.92%0.0193%0.031CC..Hα-helixtrans-50.8-52.2-171-2428.7000114.5E110 T114 W173 N174 M179 A180 T202E110-P176 WeakPolarHBondContact OE1-CB 3.04Å; E110-P176 VanDerWaalsContact OE2-CD 3.25Å; E110-P176 WeakPolarHBondContact OE2-CD 3.4Å; T114-P176 HydrophobicContact CG2-CG 3.68Å; W173-P176 VanDerWaalsContact O-CD 3.31Å; W173-P176 WeakPolarHBondContact O-CD 2.99Å; W173-P176 WeakPolarHBondContact O-CG 3.29Å; N174-P176 VanDerWaalsContact C-CD 3.5Å; P176-M179 PolarHBondContact O-N 2.91Å; P176-A180 PolarHBondContact O-N 3.43Å; P176-A180 VanDerWaalsContact O-N 3.15Å; P176-T202 HydrophobicContact CG-CG2 3.95Å; P176-T202 WeakPolarHBondContact CG-OG1 3.35Å
177F98.7Very high98.4Very high1 Ų15.8 Ų5.80%0.0043%0.031CC..Hα-helixtrans-67.4-46.2-179.2-167.4-103000112V99 L106 E110 I125 C128 F175 M179 A180 V181 T205 L209V99-F177 HydrophobicContact CG1-CE1 3.79Å; V99-F177 HydrophobicContact CG1-CZ 3.92Å; V99-F177 HydrophobicContact CG2-CE1 4.38Å; V99-F177 HydrophobicContact CG2-CZ 3.82Å; L106-F177 HydrophobicContact CD1-CE1 4.43Å; L106-F177 HydrophobicContact CD1-CE2 4.24Å; L106-F177 HydrophobicContact CD1-CZ 3.92Å; L106-F177 HydrophobicContact CD2-CD2 4.42Å; L106-F177 HydrophobicContact CD2-CE2 3.98Å; L106-F177 HydrophobicContact CD2-CZ 4.49Å; E110-F177 HydrophobicContact CG-CB 4.37Å; E110-F177 WeakPolarHBondContact OE1-CB 3.38Å; E110-F177 PolarHBondContact OE1-N 2.99Å; I125-F177 HydrophobicContact CD1-CB 3.82Å; I125-F177 HydrophobicContact CD1-CD1 3.29Å; I125-F177 HydrophobicContact CD1-CD2 4.42Å; I125-F177 HydrophobicContact CD1-CE1 3.87Å; I125-F177 HydrophobicContact CD1-CG 3.6Å; C128-F177 HydrophobicContact CB-CD1 3.73Å; C128-F177 HydrophobicContact CB-CE1 3.62Å; F175-F177 PolarHBondContact O-N 3.29Å; F177-M179 VanDerWaalsContact C-N 3.3Å; F177-M179 PolarHBondContact O-N 3.38Å; F177-A180 WeakPolarHBondContact O-CB 3.42Å; F177-A180 PolarHBondContact O-N 3.34Å; F177-A180 VanDerWaalsContact O-N 3.1Å; F177-V181 HydrophobicContact CD1-CG2 3.83Å; F177-V181 HydrophobicContact CE1-CG2 3.61Å; F177-V181 HydrophobicContact CG-CG2 4.43Å; F177-V181 HydrophobicContact CZ-CG2 4.03Å; F177-V181 WeakPolarHBondContact O-CG2 3.38Å; F177-V181 PolarHBondContact O-N 3.46Å; F177-T205 PolarHBondContact N-OG1 2.84Å; F177-L209 HydrophobicContact CD2-CB 4.36Å; F177-L209 HydrophobicContact CE2-CB 3.81Å; F177-L209 HydrophobicContact CE2-CD1 3.95Å; F177-L209 HydrophobicContact CE2-CD2 4.41Å; F177-L209 HydrophobicContact CE2-CG 4.26Å; F177-L209 HydrophobicContact CZ-CD1 3.99Å
178Q98.3Very high98.4Very high9 Ų95.8 Ų5.84%0.0423%0.031CC..Hα-helixtrans-56.9-44.1177.1-171.6-175.1-60.600111.6C128 F175 A180 V181 W182C128-Q178 VanDerWaalsContact SG-CA 3.5Å; F175-Q178 HydrophobicContact CB-CB 3.88Å; F175-Q178 PolarHBondContact O-N 3.32Å; Q178-A180 VanDerWaalsContact C-N 3.31Å; Q178-A180 PolarHBondContact O-N 3.32Å; Q178-V181 PolarHBondContact O-N 3.42Å; Q178-W182 HydrophobicContact CG-CD2 3.85Å; Q178-W182 HydrophobicContact CG-CG 4.03Å; Q178-W182 HydrophobicContact CG-CZ2 4.14Å; Q178-W182 VanDerWaalsContact O-CB 3.29Å; Q178-W182 WeakPolarHBondContact O-CB 3.1Å; Q178-W182 PolarHBondContact O-N 3.17Å
179M97.9Very high98.4Very high6 Ų65.7 Ų5.73%0.033%0.03CC..Hα-helixtrans-64.3-36.5178.5-68.4-64.915600112.2F175 P176 F177 K183 F196 T248F175-M179 HydrophobicContact CB-CE 4.34Å; F175-M179 HydrophobicContact CB-CG 4.48Å; F175-M179 WeakPolarHBondContact O-CB 3.43Å; F175-M179 WeakPolarHBondContact O-CG 3.12Å; F175-M179 PolarHBondContact O-N 3.46Å; P176-M179 PolarHBondContact O-N 2.91Å; F177-M179 VanDerWaalsContact C-N 3.3Å; F177-M179 PolarHBondContact O-N 3.38Å; M179-K183 WeakPolarHBondContact O-CD 3.43Å; M179-K183 VanDerWaalsContact O-CG 3.25Å; M179-K183 WeakPolarHBondContact O-CG 3.23Å; M179-F196 HydrophobicContact CB-CZ 4.29Å; M179-T248 HydrophobicContact CE-CG2 3.95Å; M179-T248 HydrophobicContact SD-CG2 3.61Å; M179-T248 PolarHBondContact SD-OG1 3.43Å
180A98.7Very high98.4Very high0 Ų05.9 Ų5.90%03%0.031CC..Hα-helixtrans-67.4-43.217400000111.1P176 F177 Q178 S184 F196 L209P176-A180 PolarHBondContact O-N 3.43Å; P176-A180 VanDerWaalsContact O-N 3.15Å; F177-A180 WeakPolarHBondContact O-CB 3.42Å; F177-A180 PolarHBondContact O-N 3.34Å; F177-A180 VanDerWaalsContact O-N 3.1Å; Q178-A180 VanDerWaalsContact C-N 3.31Å; Q178-A180 PolarHBondContact O-N 3.32Å; A180-S184 WeakPolarHBondContact O-CB 3.45Å; A180-S184 PolarHBondContact O-N 3.12Å; A180-S184 PolarHBondContact O-OG 3.43Å; A180-F196 HydrophobicContact CB-CD1 3.89Å; A180-F196 HydrophobicContact CB-CE1 3.62Å; A180-F196 HydrophobicContact CB-CE2 4.43Å; A180-F196 HydrophobicContact CB-CG 4.39Å; A180-F196 HydrophobicContact CB-CZ 3.9Å; A180-L209 HydrophobicContact CB-CD2 3.67Å
181V98.6Very high98.4Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-68.9-53.4-178.5168.80000111.9C128 F132 F177 Q178 K183 S184 V185 L209C128-V181 HydrophobicContact CB-CB 4.33Å; C128-V181 HydrophobicContact CB-CG1 4.06Å; C128-V181 HydrophobicContact CB-CG2 4.11Å; F132-V181 HydrophobicContact CD2-CG1 4.42Å; F132-V181 HydrophobicContact CE2-CG1 3.96Å; F132-V181 HydrophobicContact CE2-CG2 3.79Å; F132-V181 HydrophobicContact CZ-CG1 4.5Å; F132-V181 HydrophobicContact CZ-CG2 4.16Å; F177-V181 HydrophobicContact CD1-CG2 3.83Å; F177-V181 HydrophobicContact CE1-CG2 3.61Å; F177-V181 HydrophobicContact CG-CG2 4.43Å; F177-V181 HydrophobicContact CZ-CG2 4.03Å; F177-V181 WeakPolarHBondContact O-CG2 3.38Å; F177-V181 PolarHBondContact O-N 3.46Å; Q178-V181 PolarHBondContact O-N 3.42Å; V181-K183 PolarHBondContact O-N 2.87Å; V181-S184 PolarHBondContact O-N 2.96Å; V181-V185 HydrophobicContact CB-CG2 4.41Å; V181-V185 HydrophobicContact CG1-CG2 3.75Å; V181-V185 WeakPolarHBondContact O-CB 3.2Å; V181-V185 VanDerWaalsContact O-CG2 3.29Å; V181-V185 WeakPolarHBondContact O-CG2 3.27Å; V181-V185 PolarHBondContact O-N 3.04Å; V181-L209 HydrophobicContact CG2-CD2 3.98Å
182W98.1Very high98.4Very high7 Ų74.8 Ų4.83%0.0272%0.024CC..Hα-helixtrans-57.4-22.7-179-80.213.8000113.8Q178 P186 Y468 F474 E485 N486Q178-W182 HydrophobicContact CG-CD2 3.85Å; Q178-W182 HydrophobicContact CG-CG 4.03Å; Q178-W182 HydrophobicContact CG-CZ2 4.14Å; Q178-W182 VanDerWaalsContact O-CB 3.29Å; Q178-W182 WeakPolarHBondContact O-CB 3.1Å; Q178-W182 PolarHBondContact O-N 3.17Å; W182-P186 WeakPolarHBondContact O-CD 3.46Å; W182-P186 WeakPolarHBondContact O-CG 3.36Å; W182-Y468 AromaticContact CH2-CD2 3.84Å; W182-Y468 HydrophobicContact CH2-CD2 3.84Å; W182-Y468 HydrophobicContact CH2-CE2 4.37Å; W182-Y468 HydrophobicContact CH2-CG 4.3Å; W182-Y468 AromaticContact CZ2-CD2 3.74Å; W182-Y468 HydrophobicContact CZ2-CD2 3.74Å; W182-Y468 HydrophobicContact CZ2-CE2 4.29Å; W182-F474 HydrophobicContact CH2-CB 4.25Å; W182-F474 HydrophobicContact CH2-CG 4.28Å; W182-F474 HydrophobicContact CZ3-CB 4.06Å; W182-F474 AromaticContact CZ3-CD1 3.92Å; W182-F474 HydrophobicContact CZ3-CD1 3.92Å; W182-F474 HydrophobicContact CZ3-CG 4.03Å; W182-E485 HydrophobicContact CE3-CB 3.96Å; W182-N486 HydrophobicContact CD2-CB 3.97Å; W182-N486 VanDerWaalsContact CE2-OD1 3.26Å; W182-N486 HydrophobicContact CE3-CB 4.18Å; W182-N486 HydrophobicContact CH2-CB 3.99Å; W182-N486 HydrophobicContact CZ2-CB 3.76Å; W182-N486 VanDerWaalsContact CZ2-CG 3.42Å; W182-N486 WeakPolarHBondContact CZ2-OD1 3.41Å; W182-N486 HydrophobicContact CZ3-CB 4.19Å; W182-N486 PolarHBondContact NE1-OD1 2.95Å; W182-N486 VanDerWaalsContact NE1-OD1 3.09Å
183K98.6Very high98.5Very high0 Ų03.9 Ų3.90%02%0.017CC..Hα-helixtrans-97.5-49.1176.9-61179.6-167.7-55.80112.6M179 V181 A187 F194 F196 S246 T248 E485 Y494M179-K183 WeakPolarHBondContact O-CD 3.43Å; M179-K183 VanDerWaalsContact O-CG 3.25Å; M179-K183 WeakPolarHBondContact O-CG 3.23Å; V181-K183 PolarHBondContact O-N 2.87Å; K183-A187 WeakPolarHBondContact O-CB 3.41Å; K183-A187 PolarHBondContact O-N 3.18Å; K183-F194 HydrophobicContact CB-CE1 4.05Å; K183-F194 HydrophobicContact CB-CE2 4.34Å; K183-F194 HydrophobicContact CB-CZ 3.56Å; K183-F196 HydrophobicContact CD-CE2 4.18Å; K183-S246 PolarHBondContact NZ-OG 3.08Å; K183-T248 VanDerWaalsContact CE-OG1 3.29Å; K183-T248 WeakPolarHBondContact CE-OG1 3.3Å; K183-T248 PolarHBondContact NZ-OG1 2.98Å; K183-E485 VanDerWaalsContact NZ-CD 3.29Å; K183-E485 IonicContact NZ-OE1 3.32Å; K183-E485 PolarHBondContact NZ-OE1 3.16Å; K183-E485 IonicContact NZ-OE2 3.96Å; K183-E485 PolarHBondContact NZ-OE2 3.07Å; K183-Y494 PolarHBondContact O-OH 3.29Å
184S98.8Very high98.5Very high0 Ų01.8 Ų1.80%01%0.009CC..Hα-helixtrans-71.3-46.2-173.662.70000112A180 V181 A187 L188 Y213A180-S184 WeakPolarHBondContact O-CB 3.45Å; A180-S184 PolarHBondContact O-N 3.12Å; A180-S184 PolarHBondContact O-OG 3.43Å; V181-S184 PolarHBondContact O-N 2.96Å; S184-A187 WeakPolarHBondContact O-CB 3.35Å; S184-A187 PolarHBondContact O-N 3.06Å; S184-A187 VanDerWaalsContact O-N 3.12Å; S184-L188 VanDerWaalsContact O-CG 3.29Å; S184-L188 WeakPolarHBondContact O-CG 3.32Å; S184-L188 PolarHBondContact O-N 3.44Å; S184-Y213 PolarHBondContact OG-OH 2.91Å
185V98.7Very high98.6Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-58.8-53.1-174.7-174.20000112.5F132 F135 V181 A187 L188 A189 Y213F132-V185 HydrophobicContact CD1-CB 4.49Å; F132-V185 HydrophobicContact CD1-CG1 3.96Å; F132-V185 HydrophobicContact CD1-CG2 3.61Å; F132-V185 HydrophobicContact CD2-CG2 4.26Å; F132-V185 HydrophobicContact CE1-CB 4.38Å; F132-V185 HydrophobicContact CE1-CG1 4.31Å; F132-V185 HydrophobicContact CE1-CG2 3.22Å; F132-V185 HydrophobicContact CE2-CG2 3.91Å; F132-V185 HydrophobicContact CG-CG1 4.46Å; F132-V185 HydrophobicContact CG-CG2 4.1Å; F132-V185 HydrophobicContact CZ-CG2 3.35Å; F135-V185 HydrophobicContact CB-CG1 3.5Å; F135-V185 HydrophobicContact CD2-CB 4.21Å; F135-V185 HydrophobicContact CD2-CG1 3.82Å; F135-V185 HydrophobicContact CG-CG1 3.98Å; V181-V185 HydrophobicContact CB-CG2 4.41Å; V181-V185 HydrophobicContact CG1-CG2 3.75Å; V181-V185 WeakPolarHBondContact O-CB 3.2Å; V181-V185 VanDerWaalsContact O-CG2 3.29Å; V181-V185 WeakPolarHBondContact O-CG2 3.27Å; V181-V185 PolarHBondContact O-N 3.04Å; V185-A187 VanDerWaalsContact C-N 3.29Å; V185-A187 PolarHBondContact O-N 3.3Å; V185-L188 PolarHBondContact O-N 2.62Å; V185-A189 VanDerWaalsContact O-CB 3.29Å; V185-A189 WeakPolarHBondContact O-CB 3.36Å; V185-A189 PolarHBondContact O-N 3.2Å; V185-Y213 WeakPolarHBondContact CG2-OH 3.28Å
186P98.5Very high98.6Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-63.3-33.7176.120.2-30.4000113F135 W182 A189 A190 T490 L491 Y494F135-P186 HydrophobicContact CD1-CB 3.83Å; F135-P186 HydrophobicContact CE1-CB 3.58Å; F135-P186 HydrophobicContact CE1-CG 4.3Å; F135-P186 HydrophobicContact CE2-CB 4.35Å; F135-P186 HydrophobicContact CE2-CG 4.27Å; F135-P186 HydrophobicContact CG-CB 4.36Å; F135-P186 HydrophobicContact CZ-CB 3.86Å; F135-P186 HydrophobicContact CZ-CG 4.07Å; W182-P186 WeakPolarHBondContact O-CD 3.46Å; W182-P186 WeakPolarHBondContact O-CG 3.36Å; P186-A189 PolarHBondContact O-N 3.06Å; P186-A190 WeakPolarHBondContact O-CB 3.43Å; P186-A190 PolarHBondContact O-N 3.36Å; P186-T490 HydrophobicContact CB-CG2 3.84Å; P186-T490 HydrophobicContact CG-CG2 3.53Å; P186-L491 WeakPolarHBondContact O-CD1 3.41Å; P186-Y494 HydrophobicContact CB-CD2 3.87Å; P186-Y494 HydrophobicContact CB-CE2 4.21Å; P186-Y494 HydrophobicContact CG-CD2 4.07Å; P186-Y494 HydrophobicContact CG-CE2 3.87Å
187A98.7Very high98.6Very high0 Ų02 Ų20%01%0.009CC..Hα-helixtrans-62.9-48.5175.600000111.4K183 S184 V185 A190 G191 N192 F194 Y494K183-A187 WeakPolarHBondContact O-CB 3.41Å; K183-A187 PolarHBondContact O-N 3.18Å; S184-A187 WeakPolarHBondContact O-CB 3.35Å; S184-A187 PolarHBondContact O-N 3.06Å; S184-A187 VanDerWaalsContact O-N 3.12Å; V185-A187 VanDerWaalsContact C-N 3.29Å; V185-A187 PolarHBondContact O-N 3.3Å; A187-A190 PolarHBondContact O-N 2.8Å; A187-G191 PolarHBondContact O-N 3.45Å; A187-N192 HydrophobicContact CB-CB 4.31Å; A187-N192 WeakPolarHBondContact O-CB 3.26Å; A187-N192 PolarHBondContact O-N 3.49Å; A187-N192 PolarHBondContact O-ND2 3.38Å; A187-F194 HydrophobicContact CB-CD2 3.46Å; A187-F194 VanDerWaalsContact CB-CD2 3.46Å; A187-F194 HydrophobicContact CB-CE2 3.95Å; A187-F194 HydrophobicContact CB-CG 4.35Å; A187-Y494 HydrophobicContact CB-CD1 3.53Å; A187-Y494 HydrophobicContact CB-CD2 4.25Å; A187-Y494 HydrophobicContact CB-CE1 3.61Å; A187-Y494 HydrophobicContact CB-CE2 4.32Å; A187-Y494 HydrophobicContact CB-CG 3.89Å
188L98.8Very high98.6Very high0 Ų02.1 Ų2.10%01%0.011CC..Hα-helixtrans-66.6-39.9178.1-61.7-171.6000111.4W80 L92 S184 V185 A190 G191 N192 F194 Y213 L222W80-L188 PolarHBondContact NE1-O 3.3Å; L92-L188 HydrophobicContact CD2-CB 4.42Å; L92-L188 HydrophobicContact CD2-CD1 4.44Å; S184-L188 VanDerWaalsContact O-CG 3.29Å; S184-L188 WeakPolarHBondContact O-CG 3.32Å; S184-L188 PolarHBondContact O-N 3.44Å; V185-L188 PolarHBondContact O-N 2.62Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-A190 PolarHBondContact O-N 3.09Å; L188-G191 WeakPolarHBondContact O-CA 3.49Å; L188-G191 PolarHBondContact O-N 3.3Å; L188-N192 WeakPolarHBondContact CD2-O 3.35Å; L188-F194 HydrophobicContact CD2-CB 4.18Å; L188-Y213 HydrophobicContact CD1-CD1 3.9Å; L188-Y213 HydrophobicContact CD1-CE1 3.32Å; L188-Y213 HydrophobicContact CD1-CE2 4.3Å; L188-L222 HydrophobicContact CD1-CD2 4.23Å; L188-L222 HydrophobicContact CD1-CG 4.49Å; L188-L222 HydrophobicContact CD2-CD1 4.07Å; L188-L222 HydrophobicContact CD2-CD2 3.99Å; L188-L222 HydrophobicContact CD2-CG 3.66Å
189A98.5Very high98.6Very high0 Ų02.4 Ų2.40%01%0.013CC..Hα-helixtrans-61.1-39.2175.400000112.2L92 F135 I139 V185 P186 G191 L491L92-A189 HydrophobicContact CD1-CB 4.01Å; F135-A189 HydrophobicContact CB-CB 4.13Å; I139-A189 HydrophobicContact CD1-CB 4.15Å; I139-A189 HydrophobicContact CG1-CB 3.85Å; V185-A189 VanDerWaalsContact O-CB 3.29Å; V185-A189 WeakPolarHBondContact O-CB 3.36Å; V185-A189 PolarHBondContact O-N 3.2Å; P186-A189 PolarHBondContact O-N 3.06Å; A189-G191 PolarHBondContact O-N 3.27Å; A189-L491 HydrophobicContact CB-CD1 3.7Å
190A98.2Very high98.6Very high4 Ų43.7 Ų3.73%0.0332%0.022CC..THydrogen-bonded Turntrans-70.3-8.8172.500000113.7F142 P163 P186 A187 L188 L491F142-A190 HydrophobicContact CE1-CB 4.16Å; P163-A190 WeakPolarHBondContact CB-O 3.4Å; P186-A190 WeakPolarHBondContact O-CB 3.43Å; P186-A190 PolarHBondContact O-N 3.36Å; A187-A190 PolarHBondContact O-N 2.8Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-A190 PolarHBondContact O-N 3.09Å; A190-L491 HydrophobicContact CB-CD1 3.91Å
191G98.3Very high98.5Very high0 Ų06.5 Ų6.50%04%0.037CC..THydrogen-bonded Turntrans9716.5177.300000115.2Q77 P163 A187 L188 A189Q77-G191 PolarHBondContact NE2-O 3.13Å; P163-G191 WeakPolarHBondContact CB-O 3.3Å; A187-G191 PolarHBondContact O-N 3.45Å; L188-G191 WeakPolarHBondContact O-CA 3.49Å; L188-G191 PolarHBondContact O-N 3.3Å; A189-G191 PolarHBondContact O-N 3.27Å
192N98.9Very high98.5Very high0 Ų06.5 Ų6.50%04%0.037CC..  trans-86.1167.2177.2-58.8-78000111.8P163 F164 G165 C167 A187 L188 Y494P163-N192 VanDerWaalsContact CB-OD1 3.31Å; P163-N192 WeakPolarHBondContact CB-OD1 3.46Å; F164-N192 PolarHBondContact N-OD1 2.92Å; G165-N192 PolarHBondContact N-OD1 3.49Å; G165-N192 CarbonylContact O-C 3.58Å; G165-N192 VanDerWaalsContact O-CA 3.24Å; G165-N192 WeakPolarHBondContact O-CA 3.1Å; G165-N192 WeakPolarHBondContact O-CB 3.39Å; G165-N192 PolarHBondContact O-OD1 3.47Å; C167-N192 VanDerWaalsContact SG-CG 3.59Å; A187-N192 HydrophobicContact CB-CB 4.31Å; A187-N192 WeakPolarHBondContact O-CB 3.26Å; A187-N192 PolarHBondContact O-N 3.49Å; A187-N192 PolarHBondContact O-ND2 3.38Å; L188-N192 WeakPolarHBondContact CD2-O 3.35Å; N192-Y494 PolarHBondContact ND2-O 3.48Å
193S98.9Very high98.5Very high0 Ų06.1 Ų6.10%04%0.036CC..EExtended strand (participates in β ladder)trans-98.5161.4154.656.40000110.2A73 G165 C167 L222A73-S193 WeakPolarHBondContact O-CB 3.3Å; A73-S193 PolarHBondContact O-OG 3.03Å; G165-S193 PolarHBondContact O-N 3.49Å; C167-S193 PolarHBondContact N-O 3.45Å; S193-L222 CarbonylContact C-O 3.29Å; S193-L222 WeakPolarHBondContact CA-O 3.27Å; S193-L222 WeakPolarHBondContact CB-O 3.45Å
194F98.9Very high98.5Very high0 Ų06.1 Ų6.10%04%0.036CC..EExtended strand (participates in β ladder)trans-139.2127-170.7-155.1-96.9000113C167 G169 K183 A187 L188 F196 L222 Y223 Q224 Y494C167-F194 HydrophobicContact CB-CD2 3.72Å; C167-F194 HydrophobicContact CB-CE2 3.93Å; C167-F194 WeakPolarHBondContact O-CA 3.33Å; G169-F194 VanDerWaalsContact CA-CZ 3.42Å; K183-F194 HydrophobicContact CB-CE1 4.05Å; K183-F194 HydrophobicContact CB-CE2 4.34Å; K183-F194 HydrophobicContact CB-CZ 3.56Å; A187-F194 HydrophobicContact CB-CD2 3.46Å; A187-F194 VanDerWaalsContact CB-CD2 3.46Å; A187-F194 HydrophobicContact CB-CE2 3.95Å; A187-F194 HydrophobicContact CB-CG 4.35Å; L188-F194 HydrophobicContact CD2-CB 4.18Å; F194-F196 HydrophobicContact CD1-CB 4.12Å; F194-F196 HydrophobicContact CE1-CB 3.95Å; F194-F196 HydrophobicContact CE1-CD2 4.01Å; F194-F196 HydrophobicContact CE1-CG 4.43Å; F194-L222 PolarHBondContact N-O 3.08Å; F194-Y223 HydrophobicContact CB-CD2 4.31Å; F194-Y223 HydrophobicContact CD1-CD2 4.13Å; F194-Y223 HydrophobicContact CD1-CE2 4.15Å; F194-Y223 CarbonylContact O-C 3.48Å; F194-Y223 VanDerWaalsContact O-CA 3.29Å; F194-Y223 WeakPolarHBondContact O-CA 3.36Å; F194-Q224 PolarHBondContact O-N 3.4Å; F194-Y494 AromaticContact CE2-CE1 3.97Å; F194-Y494 HydrophobicContact CE2-CE1 3.97Å
195I98.9Very high98.5Very high0 Ų06.1 Ų6.10%04%0.036CC..EExtended strand (participates in β ladder)trans-110.4120.5168.4-64.6175000108.8M69 A70 A73 L166 C167 A168 G169 Q224 V226 L236M69-I195 HydrophobicContact CB-CD1 4.3Å; A70-I195 HydrophobicContact CB-CD1 4.38Å; A73-I195 HydrophobicContact CB-CD1 4.3Å; A73-I195 HydrophobicContact CB-CG1 4.4Å; L166-I195 HydrophobicContact CD1-CB 4.42Å; L166-I195 HydrophobicContact CD1-CD1 3.9Å; L166-I195 HydrophobicContact CD1-CG1 3.8Å; L166-I195 HydrophobicContact CD2-CD1 4.12Å; C167-I195 PolarHBondContact O-N 3.12Å; A168-I195 CarbonylContact C-O 3.58Å; A168-I195 VanDerWaalsContact CA-O 3.28Å; A168-I195 WeakPolarHBondContact CA-O 3.1Å; G169-I195 PolarHBondContact N-O 3.2Å; I195-Q224 WeakPolarHBondContact CA-O 3.33Å; I195-Q224 HydrophobicContact CG1-CB 4.26Å; I195-V226 HydrophobicContact CG2-CB 4.19Å; I195-V226 HydrophobicContact CG2-CG2 3.36Å; I195-L236 HydrophobicContact CB-CD1 4.04Å; I195-L236 HydrophobicContact CD1-CD1 4.49Å; I195-L236 HydrophobicContact CG2-CD1 3.68Å; I195-L236 HydrophobicContact CG2-CD2 4.03Å
196F98.9Very high98.5Very high1 Ų16.1 Ų6.10%0.0044%0.036CC..EExtended strand (participates in β ladder)trans-107.6136.4-179.6-174.3-112.3000111.7G169 M179 A180 K183 F194 P198 A206 Y223 Q224 V225 V226G169-F196 CarbonylContact O-C 3.45Å; G169-F196 WeakPolarHBondContact O-CA 3.46Å; M179-F196 HydrophobicContact CB-CZ 4.29Å; A180-F196 HydrophobicContact CB-CD1 3.89Å; A180-F196 HydrophobicContact CB-CE1 3.62Å; A180-F196 HydrophobicContact CB-CE2 4.43Å; A180-F196 HydrophobicContact CB-CG 4.39Å; A180-F196 HydrophobicContact CB-CZ 3.9Å; K183-F196 HydrophobicContact CD-CE2 4.18Å; F194-F196 HydrophobicContact CD1-CB 4.12Å; F194-F196 HydrophobicContact CE1-CB 3.95Å; F194-F196 HydrophobicContact CE1-CD2 4.01Å; F194-F196 HydrophobicContact CE1-CG 4.43Å; F196-P198 HydrophobicContact CD1-CB 4.41Å; F196-P198 HydrophobicContact CE1-CB 3.89Å; F196-A206 HydrophobicContact CD1-CB 3.89Å; F196-A206 HydrophobicContact CE1-CB 3.91Å; F196-Y223 HydrophobicContact CB-CE2 3.81Å; F196-Q224 PolarHBondContact N-O 3.3Å; F196-V225 CarbonylContact O-C 3.54Å; F196-V225 VanDerWaalsContact O-CA 3.27Å; F196-V225 WeakPolarHBondContact O-CA 3.42Å; F196-V226 PolarHBondContact O-N 3.37Å
197K98.7Very high98.4Very high13 Ų136.4 Ų6.46%0.0574%0.037CC..EExtended strand (participates in β ladder)trans-112.7103.4170.5-165.2-145.685.972.60109.7G169 I170 G171 V226 G228 I232 L236G169-K197 PolarHBondContact O-N 3.44Å; I170-K197 HydrophobicContact CG1-CB 4.23Å; G171-K197 PolarHBondContact N-O 2.88Å; G171-K197 VanDerWaalsContact N-O 3.1Å; K197-V226 WeakPolarHBondContact CA-O 3.11Å; K197-V226 HydrophobicContact CG-CG1 4.46Å; K197-V226 VanDerWaalsContact CG-O 3.31Å; K197-V226 WeakPolarHBondContact CG-O 3.18Å; K197-G228 PolarHBondContact NZ-O 3.42Å; K197-I232 HydrophobicContact CD-CG2 4.34Å; K197-L236 HydrophobicContact CB-CD2 4.12Å
198P98.6Very high98.4Very high5 Ų57.9 Ų7.93%0.0324%0.042CC..  trans-67.3166.9173.129.2-35.5000111.2F196 A206 V225 V226 L227F196-P198 HydrophobicContact CD1-CB 4.41Å; F196-P198 HydrophobicContact CE1-CB 3.89Å; P198-A206 HydrophobicContact CB-CB 3.93Å; P198-A206 HydrophobicContact CG-CB 3.98Å; P198-V225 HydrophobicContact CG-CG1 3.97Å; P198-V226 WeakPolarHBondContact CD-O 3.41Å; P198-L227 HydrophobicContact CG-CD2 3.99Å
199S98.2Very high98.4Very high14 Ų147.9 Ų7.910%0.0984%0.042CC..  trans-59.4143.3165.2179.70000110.4G171 L201 T202G171-S199 PolarHBondContact O-N 3.21Å; S199-L201 PolarHBondContact O-N 2.83Å; S199-L201 VanDerWaalsContact O-N 3.12Å; S199-L201 PolarHBondContact OG-N 3.28Å; S199-T202 PolarHBondContact O-N 2.97Å; S199-T202 VanDerWaalsContact O-N 3.13Å
200P97.6Very high98.4Very high33 Ų3310.4 Ų10.421%0.2145%0.052CC..THydrogen-bonded Turntrans-59-23174-22.933000114.2Y44 Y58Y44-P200 HydrophobicContact CD1-CB 3.8Å; Y44-P200 HydrophobicContact CE1-CB 4.03Å; Y44-P200 HydrophobicContact CE1-CG 4.25Å; Y58-P200 VanDerWaalsContact OH-C 3.27Å; Y58-P200 WeakPolarHBondContact OH-CA 3.46Å; Y58-P200 WeakPolarHBondContact OH-CB 3.41Å; Y58-P200 PolarHBondContact OH-O 3.21Å
201L97.9Very high98.3Very high59 Ų5911.9 Ų11.931%0.3096%0.059SC..THydrogen-bonded Turntrans-76.4-25.2-179.4-59.7177.4000112.8W173 S199 I348W173-L201 HydrophobicContact CB-CB 4.37Å; W173-L201 HydrophobicContact CG-CD1 4.35Å; S199-L201 PolarHBondContact O-N 2.83Å; S199-L201 VanDerWaalsContact O-N 3.12Å; S199-L201 PolarHBondContact OG-N 3.28Å; L201-I348 HydrophobicContact CB-CD1 4.43Å; L201-I348 HydrophobicContact CB-CG1 4.28Å; L201-I348 HydrophobicContact CD1-CG1 3.74Å
202T98.4Very high98.3Very high0 Ų011.9 Ų11.90%06%0.059CC..  trans-139.865.6-167.560.60000112.5D113 T114 W173 P176 S199 I348D113-T202 HydrophobicContact CB-CG2 3.96Å; D113-T202 WeakPolarHBondContact O-CG2 3.28Å; D113-T202 WeakPolarHBondContact OD2-CA 3.44Å; T114-T202 HydrophobicContact CG2-CG2 4.12Å; W173-T202 WeakPolarHBondContact CA-OG1 3.32Å; W173-T202 HydrophobicContact CB-CG2 3.78Å; W173-T202 WeakPolarHBondContact O-CG2 2.99Å; P176-T202 HydrophobicContact CG-CG2 3.95Å; P176-T202 WeakPolarHBondContact CG-OG1 3.35Å; S199-T202 PolarHBondContact O-N 2.97Å; S199-T202 VanDerWaalsContact O-N 3.13Å; T202-I348 HydrophobicContact CG2-CD1 3.86Å
203P97.8Very high98.3Very high0 Ų012 Ų120%06%0.059CC..  trans-86.8-17.8-172.335.5-36.9000114.5L28 V56 Y58 D113 T205 I207 L227L28-P203 HydrophobicContact CD2-CB 4.46Å; V56-P203 HydrophobicContact CG2-CG 4.08Å; Y58-P203 HydrophobicContact CE1-CB 4.41Å; Y58-P203 HydrophobicContact CE1-CG 3.98Å; D113-P203 WeakPolarHBondContact OD2-CD 3.28Å; D113-P203 VanDerWaalsContact OD2-N 3.17Å; P203-T205 PolarHBondContact O-N 3.39Å; P203-I207 WeakPolarHBondContact O-CG1 3.15Å; P203-I207 PolarHBondContact O-N 2.83Å; P203-L227 HydrophobicContact CB-CD2 4.03Å
204L98.4Very high98.2Very high0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-64.2-51.2-159.9-63176.8000112.3L17 W20 L28 L55 V56 L109 D113 A206 I207 R208L17-L204 HydrophobicContact CD1-CD1 4.35Å; L17-L204 HydrophobicContact CD1-CD2 3.99Å; L17-L204 HydrophobicContact CD2-CD1 4.35Å; W20-L204 HydrophobicContact CZ3-CD2 4.34Å; L28-L204 HydrophobicContact CD1-CD2 3.91Å; L55-L204 HydrophobicContact CD1-CD1 4.5Å; V56-L204 HydrophobicContact CG1-CD2 3.83Å; V56-L204 HydrophobicContact CG2-CD2 3.88Å; L109-L204 HydrophobicContact CB-CB 4.39Å; L109-L204 HydrophobicContact CD2-CB 4.25Å; L109-L204 HydrophobicContact CD2-CD1 3.97Å; D113-L204 HydrophobicContact CB-CD1 4.49Å; D113-L204 WeakPolarHBondContact OD1-CD1 3.38Å; D113-L204 VanDerWaalsContact OD1-CG 3.29Å; D113-L204 WeakPolarHBondContact OD1-CG 3.35Å; D113-L204 VanDerWaalsContact OD2-CB 3.27Å; D113-L204 WeakPolarHBondContact OD2-CB 3.37Å; D113-L204 VanDerWaalsContact OD2-CG 3.26Å; D113-L204 WeakPolarHBondContact OD2-CG 3.3Å; D113-L204 PolarHBondContact OD2-N 3.42Å; L204-A206 PolarHBondContact O-N 3.01Å; L204-I207 PolarHBondContact O-N 2.91Å; L204-R208 PolarHBondContact O-N 2.89Å
205T98.5Very high98.2Very high0 Ų021.8 Ų21.80%011%0.106CC..Hα-helixtrans-76.3-29.5-168.458.40000112.1L109 E110 F177 P203 I207 R208 L209L109-T205 HydrophobicContact CB-CG2 3.53Å; L109-T205 HydrophobicContact CD1-CG2 4.41Å; E110-T205 HydrophobicContact CG-CG2 3.8Å; E110-T205 WeakPolarHBondContact OE1-CB 3.31Å; E110-T205 WeakPolarHBondContact OE1-CG2 3.32Å; E110-T205 PolarHBondContact OE1-OG1 2.8Å; F177-T205 PolarHBondContact N-OG1 2.84Å; P203-T205 PolarHBondContact O-N 3.39Å; T205-I207 VanDerWaalsContact C-N 3.32Å; T205-I207 PolarHBondContact O-N 2.97Å; T205-R208 PolarHBondContact O-N 3.44Å; T205-L209 WeakPolarHBondContact O-CB 3.15Å; T205-L209 PolarHBondContact O-N 2.6Å
206A98.4Very high98.2Very high0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-62-39.9170.600000112.1F196 P198 L204 L209 Y210 Y223 V225F196-A206 HydrophobicContact CD1-CB 3.89Å; F196-A206 HydrophobicContact CE1-CB 3.91Å; P198-A206 HydrophobicContact CB-CB 3.93Å; P198-A206 HydrophobicContact CG-CB 3.98Å; L204-A206 PolarHBondContact O-N 3.01Å; A206-L209 WeakPolarHBondContact O-CB 3.31Å; A206-L209 PolarHBondContact O-N 2.91Å; A206-Y210 PolarHBondContact O-N 3.33Å; A206-Y223 PolarHBondContact O-OH 2.93Å; A206-V225 HydrophobicContact CB-CG1 4.41Å; A206-V225 HydrophobicContact CB-CG2 4.35Å; A206-V225 VanDerWaalsContact O-CG2 3.25Å; A206-V225 WeakPolarHBondContact O-CG2 3.44Å
207I97.9Very high98.1Very high5 Ų524 Ų243%0.02613%0.128CC..Hα-helixtrans-70.5-42.3176.4-67.2-72.4000110.7W20 L26 P27 L28 P203 L204 T205 L209 Y210 E211 V225 L227W20-I207 HydrophobicContact CH2-CG2 4.34Å; W20-I207 HydrophobicContact CZ2-CG2 4.21Å; L26-I207 HydrophobicContact CB-CG2 4.46Å; L26-I207 HydrophobicContact CD1-CG2 3.67Å; L26-I207 HydrophobicContact CD2-CG2 3.57Å; L26-I207 HydrophobicContact CG-CG2 4.08Å; P27-I207 HydrophobicContact CG-CD1 4.16Å; L28-I207 HydrophobicContact CD1-CB 4.24Å; L28-I207 HydrophobicContact CD1-CG1 4.02Å; L28-I207 HydrophobicContact CD1-CG2 4.32Å; L28-I207 HydrophobicContact CG-CG1 4.39Å; P203-I207 WeakPolarHBondContact O-CG1 3.15Å; P203-I207 PolarHBondContact O-N 2.83Å; L204-I207 PolarHBondContact O-N 2.91Å; T205-I207 VanDerWaalsContact C-N 3.32Å; T205-I207 PolarHBondContact O-N 2.97Å; I207-L209 VanDerWaalsContact C-N 3.26Å; I207-L209 PolarHBondContact O-N 3.44Å; I207-Y210 WeakPolarHBondContact O-CB 3.23Å; I207-Y210 PolarHBondContact O-N 2.84Å; I207-Y210 VanDerWaalsContact O-N 3.13Å; I207-E211 PolarHBondContact O-N 3.31Å; I207-V225 HydrophobicContact CD1-CB 3.67Å; I207-V225 HydrophobicContact CD1-CG1 3.58Å; I207-V225 HydrophobicContact CD1-CG2 4.2Å; I207-V225 HydrophobicContact CG1-CG1 4.19Å; I207-L227 HydrophobicContact CD1-CD1 4.28Å; I207-L227 HydrophobicContact CD1-CD2 4.24Å; I207-L227 HydrophobicContact CD1-CG 4.42Å; I207-L227 HydrophobicContact CG1-CD2 4.39Å
208R98Very high98.1Very high31 Ų3123.8 Ų23.812%0.11713%0.128CC..Hα-helixtrans-60.2-40.3174.4-175.955.6-178.5165.31.1111.3W20 E102 L106 L109 L204 T205 Y210 E211 L212W20-R208 HydrophobicContact CH2-CB 4.06Å; W20-R208 HydrophobicContact CZ2-CB 3.92Å; E102-R208 IonicContact OE1-CZ 2.77Å; E102-R208 IonicContact OE1-NH2 2.73Å; E102-R208 PolarHBondContact OE1-NH2 2.99Å; E102-R208 IonicContact OE2-CZ 3.8Å; E102-R208 VanDerWaalsContact OE2-CZ 3.23Å; E102-R208 IonicContact OE2-NE 2.7Å; E102-R208 PolarHBondContact OE2-NE 3.49Å; E102-R208 IonicContact OE2-NH2 3.82Å; E102-R208 PolarHBondContact OE2-NH2 3.01Å; L106-R208 HydrophobicContact CD2-CB 4.11Å; L106-R208 HydrophobicContact CD2-CG 3.6Å; L109-R208 HydrophobicContact CD1-CB 4.25Å; L109-R208 HydrophobicContact CD1-CG 4.47Å; L204-R208 PolarHBondContact O-N 2.89Å; T205-R208 PolarHBondContact O-N 3.44Å; R208-Y210 PolarHBondContact O-N 3.14Å; R208-E211 VanDerWaalsContact CD-OE2 3.31Å; R208-E211 WeakPolarHBondContact CD-OE2 3.28Å; R208-E211 IonicContact CZ-OE2 2.67Å; R208-E211 IonicContact NE-OE2 3.72Å; R208-E211 IonicContact NH1-OE2 2.7Å; R208-E211 PolarHBondContact NH1-OE2 3.23Å; R208-E211 WeakPolarHBondContact O-CB 3.29Å; R208-E211 PolarHBondContact O-N 2.87Å; R208-L212 HydrophobicContact CG-CG 4.5Å; R208-L212 WeakPolarHBondContact O-CG 3.44Å; R208-L212 PolarHBondContact O-N 3.05Å
209L98.6Very high98.1Very high0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-58.4-35.6176.5-176.957.7000112.9F132 F177 A180 V181 T205 A206 I207 E211 L212 Y213 Y223F132-L209 HydrophobicContact CE2-CD1 4.48Å; F132-L209 HydrophobicContact CZ-CD1 3.92Å; F177-L209 HydrophobicContact CD2-CB 4.36Å; F177-L209 HydrophobicContact CE2-CB 3.81Å; F177-L209 HydrophobicContact CE2-CD1 3.95Å; F177-L209 HydrophobicContact CE2-CD2 4.41Å; F177-L209 HydrophobicContact CE2-CG 4.26Å; F177-L209 HydrophobicContact CZ-CD1 3.99Å; A180-L209 HydrophobicContact CB-CD2 3.67Å; V181-L209 HydrophobicContact CG2-CD2 3.98Å; T205-L209 WeakPolarHBondContact O-CB 3.15Å; T205-L209 PolarHBondContact O-N 2.6Å; A206-L209 WeakPolarHBondContact O-CB 3.31Å; A206-L209 PolarHBondContact O-N 2.91Å; I207-L209 VanDerWaalsContact C-N 3.26Å; I207-L209 PolarHBondContact O-N 3.44Å; L209-E211 VanDerWaalsContact C-N 3.34Å; L209-E211 PolarHBondContact O-N 2.75Å; L209-L212 PolarHBondContact O-N 2.91Å; L209-Y213 HydrophobicContact CD1-CD2 4.02Å; L209-Y213 HydrophobicContact CD1-CE2 3.76Å; L209-Y213 HydrophobicContact CD2-CE2 3.96Å; L209-Y213 HydrophobicContact CG-CD2 3.87Å; L209-Y213 HydrophobicContact CG-CE2 3.62Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.21Å; L209-Y213 PolarHBondContact O-N 2.92Å; L209-Y223 HydrophobicContact CB-CE1 4.35Å; L209-Y223 HydrophobicContact CD2-CE1 4.49Å; L209-Y223 HydrophobicContact CD2-CE2 4.38Å; L209-Y223 HydrophobicContact CG-CE1 4.23Å
210Y97.9Very high98Very high54 Ų5429 Ų2921%0.21215%0.153CC..Hα-helixtrans-59.3-44.3173.6163.4-99.4000112.5A206 I207 R208 L212 Y213 K214 Y223A206-Y210 PolarHBondContact O-N 3.33Å; I207-Y210 WeakPolarHBondContact O-CB 3.23Å; I207-Y210 PolarHBondContact O-N 2.84Å; I207-Y210 VanDerWaalsContact O-N 3.13Å; R208-Y210 PolarHBondContact O-N 3.14Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-Y213 PolarHBondContact O-N 3.09Å; Y210-K214 PolarHBondContact O-N 2.73Å; Y210-K214 VanDerWaalsContact O-N 3.17Å; Y210-Y223 HydrophobicContact CD2-CD1 4.31Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.25Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.05Å
211E97.3Very high98.1Very high35 Ų3528.9 Ų28.916%0.16415%0.15CC..Hα-helixtrans-65.2-39.7176.8-60.2-178.3121.300111.5W20 L26 I207 R208 L209 K214 L215W20-E211 PolarHBondContact NE1-OE2 2.79Å; L26-E211 HydrophobicContact CD2-CG 4.33Å; I207-E211 PolarHBondContact O-N 3.31Å; R208-E211 VanDerWaalsContact CD-OE2 3.31Å; R208-E211 WeakPolarHBondContact CD-OE2 3.28Å; R208-E211 IonicContact CZ-OE2 2.67Å; R208-E211 IonicContact NE-OE2 3.72Å; R208-E211 IonicContact NH1-OE2 2.7Å; R208-E211 PolarHBondContact NH1-OE2 3.23Å; R208-E211 WeakPolarHBondContact O-CB 3.29Å; R208-E211 PolarHBondContact O-N 2.87Å; L209-E211 VanDerWaalsContact C-N 3.34Å; L209-E211 PolarHBondContact O-N 2.75Å; E211-K214 WeakPolarHBondContact O-CB 3.29Å; E211-K214 PolarHBondContact O-N 3.09Å; E211-L215 WeakPolarHBondContact O-CB 3.37Å; E211-L215 VanDerWaalsContact O-CG 3.27Å; E211-L215 WeakPolarHBondContact O-CG 3.43Å; E211-L215 PolarHBondContact O-N 3.42Å
212L98.5Very high98.1Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-63.8-42.4178.7-62.3-179.7000112.4V95 L98 V99 L106 R208 L209 Y210 K214 L215 A216V95-L212 HydrophobicContact CG1-CB 4.47Å; L98-L212 HydrophobicContact CB-CD2 4.2Å; V99-L212 HydrophobicContact CG2-CD1 3.73Å; L106-L212 HydrophobicContact CD1-CD1 4.22Å; R208-L212 HydrophobicContact CG-CG 4.5Å; R208-L212 WeakPolarHBondContact O-CG 3.44Å; R208-L212 PolarHBondContact O-N 3.05Å; L209-L212 PolarHBondContact O-N 2.91Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.96Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-A216 WeakPolarHBondContact O-CB 3.19Å; L212-A216 PolarHBondContact O-N 2.98Å
213Y98.7Very high98.1Very high3 Ų326.2 Ų26.21%0.01214%0.136CC..Hα-helixtrans-58.9-44.4172.2-82.7-61.2000111.9L92 V95 F132 S184 V185 L188 L209 Y210 A216 G217 C218 Y223L92-Y213 HydrophobicContact CD2-CE1 4.05Å; V95-Y213 HydrophobicContact CG1-CD1 4.12Å; V95-Y213 HydrophobicContact CG1-CE1 4.15Å; V95-Y213 HydrophobicContact CG2-CD1 3.66Å; V95-Y213 HydrophobicContact CG2-CE1 4.02Å; F132-Y213 AromaticContact CE1-CE1 3.65Å; F132-Y213 HydrophobicContact CE1-CE1 3.65Å; F132-Y213 AromaticContact CE1-CZ 3.68Å; F132-Y213 WeakPolarHBondContact CE1-OH 3.41Å; F132-Y213 HydrophobicContact CZ-CE1 4.3Å; F132-Y213 AromaticContact CZ-CZ 3.94Å; S184-Y213 PolarHBondContact OG-OH 2.91Å; V185-Y213 WeakPolarHBondContact CG2-OH 3.28Å; L188-Y213 HydrophobicContact CD1-CD1 3.9Å; L188-Y213 HydrophobicContact CD1-CE1 3.32Å; L188-Y213 HydrophobicContact CD1-CE2 4.3Å; L209-Y213 HydrophobicContact CD1-CD2 4.02Å; L209-Y213 HydrophobicContact CD1-CE2 3.76Å; L209-Y213 HydrophobicContact CD2-CE2 3.96Å; L209-Y213 HydrophobicContact CG-CD2 3.87Å; L209-Y213 HydrophobicContact CG-CE2 3.62Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.21Å; L209-Y213 PolarHBondContact O-N 2.92Å; Y210-Y213 PolarHBondContact O-N 3.09Å; Y213-A216 PolarHBondContact O-N 3.23Å; Y213-G217 PolarHBondContact O-N 2.68Å; Y213-C218 VanDerWaalsContact O-CB 3.3Å; Y213-C218 WeakPolarHBondContact O-CB 3.27Å; Y213-C218 PolarHBondContact O-N 3.41Å; Y213-C218 VanDerWaalsContact O-N 3.14Å; Y213-Y223 AromaticContact CD2-CD1 3.6Å; Y213-Y223 HydrophobicContact CD2-CD1 3.6Å; Y213-Y223 HydrophobicContact CD2-CD2 4.14Å; Y213-Y223 HydrophobicContact CD2-CE1 4.26Å; Y213-Y223 AromaticContact CD2-CG 3.5Å; Y213-Y223 HydrophobicContact CD2-CG 3.5Å; Y213-Y223 HydrophobicContact CE2-CD1 4.05Å; Y213-Y223 AromaticContact CE2-CD2 3.79Å; Y213-Y223 HydrophobicContact CE2-CD2 3.79Å; Y213-Y223 HydrophobicContact CE2-CE1 4.48Å; Y213-Y223 HydrophobicContact CE2-CE2 4.28Å; Y213-Y223 AromaticContact CE2-CG 3.65Å; Y213-Y223 HydrophobicContact CE2-CG 3.65Å; Y213-Y223 HydrophobicContact CG-CG 4.47Å
214K97.1Very high98.2Very high107 Ų10726.5 Ų26.547%0.46514%0.137SC..Hα-helixtrans-63.5-45.6177.7-175.2168.9177.5163.90111.7Y210 E211 L212 A216 G217 E220Y210-K214 PolarHBondContact O-N 2.73Å; Y210-K214 VanDerWaalsContact O-N 3.17Å; E211-K214 WeakPolarHBondContact O-CB 3.29Å; E211-K214 PolarHBondContact O-N 3.09Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.96Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 3.09Å; K214-G217 PolarHBondContact O-N 2.83Å; K214-G217 VanDerWaalsContact O-N 3.13Å; K214-E220 IonicContact NZ-OE1 3.04Å; K214-E220 PolarHBondContact NZ-OE1 3.08Å
215L97.8Very high98.2Very high98 Ų9827.2 Ų27.251%0.51314%0.141SC..Hα-helixtrans-64.9-32.7178.5-72.9169.8000113.1K94 L98 E211 L212 G217K94-L215 PolarHBondContact NZ-O 3.21Å; L98-L215 HydrophobicContact CD1-CB 3.97Å; E211-L215 WeakPolarHBondContact O-CB 3.37Å; E211-L215 VanDerWaalsContact O-CG 3.27Å; E211-L215 WeakPolarHBondContact O-CG 3.43Å; E211-L215 PolarHBondContact O-N 3.42Å; L212-L215 PolarHBondContact O-N 3.36Å; L215-G217 PolarHBondContact O-N 2.95Å
216A98.5Very high98.2Very high4 Ų427.2 Ų27.23%0.03314%0.141CC..Hα-helixtrans-66.3-26.4175.100000112.5I91 K94 V95 L98 L212 Y213 K214I91-A216 HydrophobicContact CG2-CB 4.34Å; K94-A216 HydrophobicContact CB-CB 4.39Å; K94-A216 HydrophobicContact CD-CB 4.49Å; K94-A216 WeakPolarHBondContact CD-O 3.49Å; K94-A216 HydrophobicContact CG-CB 4.22Å; K94-A216 PolarHBondContact NZ-O 3.02Å; V95-A216 HydrophobicContact CB-CB 4.22Å; V95-A216 HydrophobicContact CG2-CB 3.27Å; L98-A216 HydrophobicContact CD1-CB 4.11Å; L212-A216 WeakPolarHBondContact O-CB 3.19Å; L212-A216 PolarHBondContact O-N 2.98Å; Y213-A216 PolarHBondContact O-N 3.23Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 3.09Å
217G98.1Very high98.2Very high42 Ų4227.3 Ų27.343%0.43314%0.142SC..THydrogen-bonded Turntrans106.218.8-178.200000113.7Y213 K214 L215Y213-G217 PolarHBondContact O-N 2.68Å; K214-G217 PolarHBondContact O-N 2.83Å; K214-G217 VanDerWaalsContact O-N 3.13Å; L215-G217 PolarHBondContact O-N 2.95Å
218C98.5Very high98.2Very high10 Ų1027.1 Ų27.17%0.06814%0.141CC..PPolyproline II helixtrans-60.9145.2166-70.10000110.1I91 Y213 E220 L222I91-C218 VanDerWaalsContact CG2-SG 3.53Å; Y213-C218 VanDerWaalsContact O-CB 3.3Å; Y213-C218 WeakPolarHBondContact O-CB 3.27Å; Y213-C218 PolarHBondContact O-N 3.41Å; Y213-C218 VanDerWaalsContact O-N 3.14Å; C218-E220 PolarHBondContact O-N 3.16Å; C218-L222 HydrophobicContact CB-CB 4.4Å; C218-L222 HydrophobicContact CB-CD2 3.95Å
219P98.2Very high98.1Very high21 Ų2126 Ų2614%0.13614%0.139CC..PPolyproline II helixtrans-46.8138.3167.3-29.234.9000111.7A76 Q79 W80 N221 L222A76-P219 HydrophobicContact CB-CB 4.26Å; Q79-P219 HydrophobicContact CB-CB 4.28Å; Q79-P219 HydrophobicContact CB-CG 4.13Å; W80-P219 HydrophobicContact CB-CG 4.27Å; W80-P219 HydrophobicContact CE3-CG 4.16Å; P219-N221 PolarHBondContact O-N 3.46Å; P219-L222 HydrophobicContact CB-CB 4.39Å; P219-L222 WeakPolarHBondContact O-CB 3.35Å; P219-L222 PolarHBondContact O-N 2.86Å; P219-L222 VanDerWaalsContact O-N 3.07Å
220E96.9Very high98Very high108 Ų10831.4 Ų31.451%0.50517%0.172SC..THydrogen-bonded Turntrans-58138.2177.9-170167.1-137.600110A76 K214 C218 L222A76-E220 VanDerWaalsContact CB-O 3.24Å; A76-E220 WeakPolarHBondContact CB-O 3.44Å; K214-E220 IonicContact NZ-OE1 3.04Å; K214-E220 PolarHBondContact NZ-OE1 3.08Å; C218-E220 PolarHBondContact O-N 3.16Å; E220-L222 VanDerWaalsContact C-N 3.26Å; E220-L222 PolarHBondContact O-N 3.28Å
221N98.1Very high97.9Very high29 Ų2933.8 Ų33.816%0.15519%0.185CC..THydrogen-bonded Turntrans70.37.4-176.2-46.8-62.9000115.9N72 A76 P219 Q224N72-N221 HydrophobicContact CB-CB 3.87Å; A76-N221 HydrophobicContact CB-CB 4.44Å; P219-N221 PolarHBondContact O-N 3.46Å; N221-Q224 HydrophobicContact CB-CG 4.03Å; N221-Q224 PolarHBondContact O-NE2 3.47Å; N221-Q224 VanDerWaalsContact O-NE2 3.15Å
222L98.8Very high98Very high0 Ų032.1 Ų32.10%018%0.177CC..SBendtrans-62.7-43.8175.5-177.367.2000112A76 W80 L188 S193 F194 C218 P219 E220A76-L222 HydrophobicContact CB-CB 4.27Å; W80-L222 HydrophobicContact CB-CD1 3.64Å; W80-L222 HydrophobicContact CB-CD2 4.19Å; W80-L222 HydrophobicContact CD2-CD1 4.49Å; W80-L222 HydrophobicContact CD2-CD2 3.52Å; W80-L222 HydrophobicContact CE3-CD2 3.8Å; W80-L222 HydrophobicContact CG-CD1 3.77Å; W80-L222 HydrophobicContact CG-CD2 3.69Å; W80-L222 HydrophobicContact CG-CG 4.41Å; W80-L222 HydrophobicContact CZ2-CD2 4.45Å; W80-L222 HydrophobicContact CZ3-CD2 4.38Å; L188-L222 HydrophobicContact CD1-CD2 4.23Å; L188-L222 HydrophobicContact CD1-CG 4.49Å; L188-L222 HydrophobicContact CD2-CD1 4.07Å; L188-L222 HydrophobicContact CD2-CD2 3.99Å; L188-L222 HydrophobicContact CD2-CG 3.66Å; S193-L222 CarbonylContact C-O 3.29Å; S193-L222 WeakPolarHBondContact CA-O 3.27Å; S193-L222 WeakPolarHBondContact CB-O 3.45Å; F194-L222 PolarHBondContact N-O 3.08Å; C218-L222 HydrophobicContact CB-CB 4.4Å; C218-L222 HydrophobicContact CB-CD2 3.95Å; P219-L222 HydrophobicContact CB-CB 4.39Å; P219-L222 WeakPolarHBondContact O-CB 3.35Å; P219-L222 PolarHBondContact O-N 2.86Å; P219-L222 VanDerWaalsContact O-N 3.07Å; E220-L222 VanDerWaalsContact C-N 3.26Å; E220-L222 PolarHBondContact O-N 3.28Å
223Y98.8Very high97.9Very high4 Ų432.3 Ų32.32%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-112.4138.4164.3173.6-92.2000107.9F194 F196 A206 L209 Y210 Y213 V225F194-Y223 HydrophobicContact CB-CD2 4.31Å; F194-Y223 HydrophobicContact CD1-CD2 4.13Å; F194-Y223 HydrophobicContact CD1-CE2 4.15Å; F194-Y223 CarbonylContact O-C 3.48Å; F194-Y223 VanDerWaalsContact O-CA 3.29Å; F194-Y223 WeakPolarHBondContact O-CA 3.36Å; F196-Y223 HydrophobicContact CB-CE2 3.81Å; A206-Y223 PolarHBondContact O-OH 2.93Å; L209-Y223 HydrophobicContact CB-CE1 4.35Å; L209-Y223 HydrophobicContact CD2-CE1 4.49Å; L209-Y223 HydrophobicContact CD2-CE2 4.38Å; L209-Y223 HydrophobicContact CG-CE1 4.23Å; Y210-Y223 HydrophobicContact CD2-CD1 4.31Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.25Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.05Å; Y213-Y223 AromaticContact CD2-CD1 3.6Å; Y213-Y223 HydrophobicContact CD2-CD1 3.6Å; Y213-Y223 HydrophobicContact CD2-CD2 4.14Å; Y213-Y223 HydrophobicContact CD2-CE1 4.26Å; Y213-Y223 AromaticContact CD2-CG 3.5Å; Y213-Y223 HydrophobicContact CD2-CG 3.5Å; Y213-Y223 HydrophobicContact CE2-CD1 4.05Å; Y213-Y223 AromaticContact CE2-CD2 3.79Å; Y213-Y223 HydrophobicContact CE2-CD2 3.79Å; Y213-Y223 HydrophobicContact CE2-CE1 4.48Å; Y213-Y223 HydrophobicContact CE2-CE2 4.28Å; Y213-Y223 AromaticContact CE2-CG 3.65Å; Y213-Y223 HydrophobicContact CE2-CG 3.65Å; Y213-Y223 HydrophobicContact CG-CG 4.47Å; Y223-V225 HydrophobicContact CE1-CG2 3.6Å
224Q98.7Very high97.9Very high5 Ų534.3 Ų34.32%0.02319%0.189CC..EExtended strand (participates in β ladder)trans-143.3158.9176.5-69.1176.884.800110.6M69 F194 I195 F196 N221M69-Q224 VanDerWaalsContact CB-OE1 3.28Å; M69-Q224 HydrophobicContact CE-CB 3.76Å; M69-Q224 HydrophobicContact CE-CG 4.48Å; M69-Q224 VanDerWaalsContact CG-OE1 3.26Å; M69-Q224 PolarHBondContact O-NE2 3.23Å; F194-Q224 PolarHBondContact O-N 3.4Å; I195-Q224 WeakPolarHBondContact CA-O 3.33Å; I195-Q224 HydrophobicContact CG1-CB 4.26Å; F196-Q224 PolarHBondContact N-O 3.3Å; N221-Q224 HydrophobicContact CB-CG 4.03Å; N221-Q224 PolarHBondContact O-NE2 3.47Å; N221-Q224 VanDerWaalsContact O-NE2 3.15Å
225V98.7Very high97.9Very high15 Ų1530.2 Ų30.29%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-119.9125.1179.6-179.10000110.5M69 F196 P198 A206 I207 Y223 L227M69-V225 WeakPolarHBondContact CE-O 3.12Å; F196-V225 CarbonylContact O-C 3.54Å; F196-V225 VanDerWaalsContact O-CA 3.27Å; F196-V225 WeakPolarHBondContact O-CA 3.42Å; P198-V225 HydrophobicContact CG-CG1 3.97Å; A206-V225 HydrophobicContact CB-CG1 4.41Å; A206-V225 HydrophobicContact CB-CG2 4.35Å; A206-V225 VanDerWaalsContact O-CG2 3.25Å; A206-V225 WeakPolarHBondContact O-CG2 3.44Å; I207-V225 HydrophobicContact CD1-CB 3.67Å; I207-V225 HydrophobicContact CD1-CG1 3.58Å; I207-V225 HydrophobicContact CD1-CG2 4.2Å; I207-V225 HydrophobicContact CG1-CG1 4.19Å; Y223-V225 HydrophobicContact CE1-CG2 3.6Å; V225-L227 HydrophobicContact CG1-CD2 3.9Å; V225-L227 HydrophobicContact CG1-CG 4.42Å
226V98.5Very high98Very high0 Ų025.6 Ų25.60%015%0.151CC..  trans-101127.2172.7168.70000108.6T61 L66 M69 I195 F196 K197 P198 I232T61-V226 HydrophobicContact CG2-CG1 4.29Å; L66-V226 HydrophobicContact CD1-CG2 3.86Å; M69-V226 HydrophobicContact CE-CG2 3.51Å; M69-V226 HydrophobicContact SD-CG2 3.93Å; I195-V226 HydrophobicContact CG2-CB 4.19Å; I195-V226 HydrophobicContact CG2-CG2 3.36Å; F196-V226 PolarHBondContact O-N 3.37Å; K197-V226 WeakPolarHBondContact CA-O 3.11Å; K197-V226 HydrophobicContact CG-CG1 4.46Å; K197-V226 VanDerWaalsContact CG-O 3.31Å; K197-V226 WeakPolarHBondContact CG-O 3.18Å; P198-V226 WeakPolarHBondContact CD-O 3.41Å; V226-I232 HydrophobicContact CG1-CB 4.44Å; V226-I232 HydrophobicContact CG1-CD1 4.5Å; V226-I232 HydrophobicContact CG1-CG1 3.45Å; V226-I232 VanDerWaalsContact CG1-CG1 3.45Å; V226-I232 HydrophobicContact CG1-CG2 4.14Å
227L98.5Very high98Very high2 Ų225.5 Ų25.51%0.0115%0.15CC..  trans-104141-177.3-64.1177.7000111.4P27 L28 Y58 Q60 T61 P198 P203 I207 V225P27-L227 HydrophobicContact CB-CD1 4.03Å; P27-L227 HydrophobicContact CG-CD1 3.64Å; L28-L227 HydrophobicContact CD2-CD1 3.66Å; Y58-L227 HydrophobicContact CD2-CB 3.78Å; Y58-L227 HydrophobicContact CD2-CD1 3.92Å; Y58-L227 HydrophobicContact CD2-CG 4.36Å; Y58-L227 HydrophobicContact CE2-CB 3.9Å; Y58-L227 HydrophobicContact CG-CD1 4.18Å; Q60-L227 WeakPolarHBondContact CA-O 3.16Å; T61-L227 PolarHBondContact N-O 2.92Å; T61-L227 PolarHBondContact OG1-N 3.35Å; T61-L227 PolarHBondContact OG1-O 2.88Å; P198-L227 HydrophobicContact CG-CD2 3.99Å; P203-L227 HydrophobicContact CB-CD2 4.03Å; I207-L227 HydrophobicContact CD1-CD1 4.28Å; I207-L227 HydrophobicContact CD1-CD2 4.24Å; I207-L227 HydrophobicContact CD1-CG 4.42Å; I207-L227 HydrophobicContact CG1-CD2 4.39Å; V225-L227 HydrophobicContact CG1-CD2 3.9Å; V225-L227 HydrophobicContact CG1-CG 4.42Å
228G97.7Very high98Very high1 Ų126.8 Ų26.81%0.0115%0.147CC..SBendtrans133.1-172.2174.600000113.9K197K197-G228 PolarHBondContact NZ-O 3.42Å
229G96.1Very high98Very high8 Ų827.1 Ų27.18%0.08215%0.147CC..SBendtrans-86.1-146.6-168.400000114.8Y44 E231 G233Y44-G229 VanDerWaalsContact OH-CA 3.25Å; Y44-G229 WeakPolarHBondContact OH-CA 3.42Å; Y44-G229 PolarHBondContact OH-N 2.89Å; G229-E231 VanDerWaalsContact C-N 3.35Å; G229-G233 PolarHBondContact O-N 2.84Å
230V96.4Very high98Very high114 Ų11430.7 Ų30.769%0.69117%0.171SC*.Hα-helixtrans-69-36.9-177.41750000110.5G233 Q234V230-G233 PolarHBondContact O-N 3.25Å; V230-Q234 VanDerWaalsContact O-CB 3.31Å; V230-Q234 WeakPolarHBondContact O-CB 3.34Å; V230-Q234 PolarHBondContact O-N 3.09Å
231E96.8Very high98.1Very high103 Ų10328.5 Ų28.548%0.48116%0.162SC..Hα-helixtrans-61.1-51.9-175.2-57.578.6-171.100111G229 Q234 A235G229-E231 VanDerWaalsContact C-N 3.35Å; E231-Q234 PolarHBondContact O-N 3.09Å; E231-A235 PolarHBondContact O-N 3.36Å
232I98Very high98.1Very high0 Ų027.1 Ų27.10%016%0.155CC..Hα-helixtrans-72.9-31179.7-162.761.3000112.2Q60 T61 Y63 L66 K197 V226 Q234 A235 L236Q60-I232 HydrophobicContact CG-CB 4.03Å; Q60-I232 HydrophobicContact CG-CG2 4.13Å; T61-I232 WeakPolarHBondContact O-CD1 3.38Å; T61-I232 WeakPolarHBondContact O-CG1 3.5Å; Y63-I232 HydrophobicContact CD1-CD1 3.86Å; Y63-I232 HydrophobicContact CE1-CD1 4.05Å; L66-I232 HydrophobicContact CB-CD1 4.21Å; L66-I232 HydrophobicContact CD2-CD1 3.84Å; K197-I232 HydrophobicContact CD-CG2 4.34Å; V226-I232 HydrophobicContact CG1-CB 4.44Å; V226-I232 HydrophobicContact CG1-CD1 4.5Å; V226-I232 HydrophobicContact CG1-CG1 3.45Å; V226-I232 VanDerWaalsContact CG1-CG1 3.45Å; V226-I232 HydrophobicContact CG1-CG2 4.14Å; I232-Q234 VanDerWaalsContact C-N 3.33Å; I232-A235 HydrophobicContact CD1-CB 4.32Å; I232-A235 PolarHBondContact O-N 3.02Å; I232-L236 WeakPolarHBondContact O-CB 3.33Å; I232-L236 PolarHBondContact O-N 3.44Å
233G98Very high98.1Very high4 Ų433.2 Ų33.24%0.04118%0.178CC..Hα-helixtrans-63.4-40.9172.200000112.2G229 V230 L236 V237G229-G233 PolarHBondContact O-N 2.84Å; V230-G233 PolarHBondContact O-N 3.25Å; G233-L236 PolarHBondContact O-N 3.25Å; G233-V237 WeakPolarHBondContact O-CG2 3.37Å; G233-V237 PolarHBondContact O-N 3.36Å
234Q97.7Very high98.1Very high46 Ų4633.2 Ų33.222%0.21518%0.178CC..Hα-helixtrans-67.9-40.3176.1-171.85581.900111.7V230 E231 I232 V237 N238 S256 C260V230-Q234 VanDerWaalsContact O-CB 3.31Å; V230-Q234 WeakPolarHBondContact O-CB 3.34Å; V230-Q234 PolarHBondContact O-N 3.09Å; E231-Q234 PolarHBondContact O-N 3.09Å; I232-Q234 VanDerWaalsContact C-N 3.33Å; Q234-V237 PolarHBondContact O-N 2.97Å; Q234-N238 PolarHBondContact NE2-ND2 3.03Å; Q234-N238 WeakPolarHBondContact O-CB 3.32Å; Q234-N238 PolarHBondContact O-N 3.5Å; Q234-N238 PolarHBondContact O-ND2 3.32Å; Q234-S256 PolarHBondContact OE1-OG 2.88Å; Q234-S256 VanDerWaalsContact OE1-OG 3.09Å; Q234-C260 VanDerWaalsContact CD-SG 3.57Å; Q234-C260 PolarHBondContact NE2-SG 2.82Å
235A98.4Very high98.1Very high21 Ų2133.1 Ų33.117%0.17418%0.177CC..Hα-helixtrans-62.9-40.5173.400000112.2Y63 L66 E231 I232 N238 H239Y63-A235 HydrophobicContact CD1-CB 3.7Å; Y63-A235 HydrophobicContact CE1-CB 3.49Å; Y63-A235 VanDerWaalsContact CE1-CB 3.49Å; L66-A235 HydrophobicContact CD2-CB 3.84Å; E231-A235 PolarHBondContact O-N 3.36Å; I232-A235 HydrophobicContact CD1-CB 4.32Å; I232-A235 PolarHBondContact O-N 3.02Å; A235-N238 CarbonylContact O-C 3.58Å; A235-N238 PolarHBondContact O-N 3.1Å; A235-H239 WeakPolarHBondContact O-CB 3.37Å; A235-H239 PolarHBondContact O-N 3.29Å
236L98.7Very high98.1Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-60.3-47.4174.9174.762.4000111.6L66 A168 I195 K197 I232 G233 N238 H239 V242L66-L236 HydrophobicContact CD1-CB 4.41Å; L66-L236 HydrophobicContact CD1-CD1 3.83Å; L66-L236 HydrophobicContact CD2-CB 4.38Å; A168-L236 HydrophobicContact CB-CD1 3.87Å; A168-L236 HydrophobicContact CB-CD2 4.01Å; A168-L236 HydrophobicContact CB-CG 3.78Å; I195-L236 HydrophobicContact CB-CD1 4.04Å; I195-L236 HydrophobicContact CD1-CD1 4.49Å; I195-L236 HydrophobicContact CG2-CD1 3.68Å; I195-L236 HydrophobicContact CG2-CD2 4.03Å; K197-L236 HydrophobicContact CB-CD2 4.12Å; I232-L236 WeakPolarHBondContact O-CB 3.33Å; I232-L236 PolarHBondContact O-N 3.44Å; G233-L236 PolarHBondContact O-N 3.25Å; L236-N238 VanDerWaalsContact C-N 3.28Å; L236-N238 PolarHBondContact O-N 3.14Å; L236-H239 VanDerWaalsContact O-CB 3.32Å; L236-H239 WeakPolarHBondContact O-CB 3.43Å; L236-H239 PolarHBondContact O-N 3Å; L236-V242 HydrophobicContact CD1-CG2 4.11Å; L236-V242 WeakPolarHBondContact O-CG2 3.43Å
237V98.3Very high98.1Very high3 Ų333.4 Ų33.42%0.01818%0.178CC..Hα-helixtrans-64.6-33.7177.6172.60000111.8I170 G233 Q234 V245 V257 C260 R264I170-V237 HydrophobicContact CD1-CG2 3.7Å; G233-V237 WeakPolarHBondContact O-CG2 3.37Å; G233-V237 PolarHBondContact O-N 3.36Å; Q234-V237 PolarHBondContact O-N 2.97Å; V237-V245 HydrophobicContact CB-CG1 4.46Å; V237-V245 HydrophobicContact CG1-CG1 4.21Å; V237-V245 HydrophobicContact CG2-CG1 4.16Å; V237-V257 HydrophobicContact CG1-CG1 4.31Å; V237-V257 HydrophobicContact CG2-CG1 4.42Å; V237-V257 HydrophobicContact CG2-CG2 4.32Å; V237-C260 HydrophobicContact CG1-CB 3.61Å; V237-R264 PolarHBondContact O-NH1 2.91Å
238N98.1Very high98.1Very high69 Ų6933.7 Ų33.737%0.36918%0.18SC..Hα-helixtrans-82.5-10177-76.1-35.7000114Q234 A235 L236 C260Q234-N238 PolarHBondContact NE2-ND2 3.03Å; Q234-N238 WeakPolarHBondContact O-CB 3.32Å; Q234-N238 PolarHBondContact O-N 3.5Å; Q234-N238 PolarHBondContact O-ND2 3.32Å; A235-N238 CarbonylContact O-C 3.58Å; A235-N238 PolarHBondContact O-N 3.1Å; L236-N238 VanDerWaalsContact C-N 3.28Å; L236-N238 PolarHBondContact O-N 3.14Å; N238-C260 WeakPolarHBondContact OD1-CB 3.22Å
239H98.6Very high98.1Very high16 Ų1634.6 Ų34.67%0.07419%0.189CC..  trans-63.9123.8-171.7-167.3-75000111.7D67 A70 A235 L236 L241 V242 R264D67-H239 WeakPolarHBondContact CA-NE2 3.37Å; D67-H239 IonicContact OD1-CE1 2.8Å; D67-H239 IonicContact OD1-NE2 3.81Å; D67-H239 PolarHBondContact OD1-NE2 2.97Å; A70-H239 WeakPolarHBondContact CB-CE1 3.44Å; A235-H239 WeakPolarHBondContact O-CB 3.37Å; A235-H239 PolarHBondContact O-N 3.29Å; L236-H239 VanDerWaalsContact O-CB 3.32Å; L236-H239 WeakPolarHBondContact O-CB 3.43Å; L236-H239 PolarHBondContact O-N 3Å; H239-L241 PolarHBondContact ND1-N 2.98Å; H239-L241 PolarHBondContact O-N 2.92Å; H239-V242 HydrophobicContact CB-CG2 4.07Å; H239-V242 WeakPolarHBondContact O-CB 3.28Å; H239-V242 PolarHBondContact O-N 3.04Å; H239-R264 PolarHBondContact O-NH1 2.75Å; H239-R264 PolarHBondContact O-NH2 3.49Å
240P98.4Very high98.1Very high97 Ų9737.5 Ų37.563%0.6321%0.208SC*.THydrogen-bonded Turntrans-57.8-29.2-168.820.8-33.6000114.5R264P240-R264 VanDerWaalsContact C-NH2 3.33Å; P240-R264 VanDerWaalsContact CA-NH2 3.34Å; P240-R264 PolarHBondContact O-NH2 2.54Å
241L98.7Very high98.2Very high62 Ų6233.3 Ų33.333%0.32518%0.183SC..THydrogen-bonded Turntrans-76.8-18.9177.2-61.7-179.9000114.7A70 I71 L166 H239 R243A70-L241 HydrophobicContact CB-CB 4.27Å; A70-L241 HydrophobicContact CB-CD1 3.94Å; I71-L241 HydrophobicContact CG1-CD1 3.93Å; L166-L241 HydrophobicContact CD2-CB 4.03Å; H239-L241 PolarHBondContact ND1-N 2.98Å; H239-L241 PolarHBondContact O-N 2.92Å; L241-R243 PolarHBondContact O-N 2.76Å
242V98.8Very high98.2Very high0 Ų031.9 Ų31.90%019%0.188CC..EExtended strand (participates in β ladder)trans-73.6126.4176.8171.10000109.5L166 A168 L236 H239 K244 V245 R264L166-V242 HydrophobicContact CD2-CG2 3.94Å; L166-V242 HydrophobicContact CG-CG2 4.05Å; A168-V242 HydrophobicContact CB-CG1 3.7Å; A168-V242 HydrophobicContact CB-CG2 4.02Å; L236-V242 HydrophobicContact CD1-CG2 4.11Å; L236-V242 WeakPolarHBondContact O-CG2 3.43Å; H239-V242 HydrophobicContact CB-CG2 4.07Å; H239-V242 WeakPolarHBondContact O-CB 3.28Å; H239-V242 PolarHBondContact O-N 3.04Å; V242-K244 WeakPolarHBondContact CG1-O 3.4Å; V242-V245 HydrophobicContact CG1-CG1 3.86Å; V242-R264 PolarHBondContact O-NH1 2.94Å; V242-R264 PolarHBondContact O-NH2 3.11Å
243R98.7Very high98.2Very high128 Ų12832.8 Ų32.848%0.48320%0.198SC..EExtended strand (participates in β ladder)trans-111.4-12.2-174.1-64-56.2-58.4-88.1-1.8114.7F164 L166 L241 P267F164-R243 HydrophobicContact CB-CB 3.93Å; L166-R243 PolarHBondContact O-N 2.59Å; L241-R243 PolarHBondContact O-N 2.76Å; R243-P267 WeakPolarHBondContact O-CD 3.45Å
244K98.7Very high98.2Very high4 Ų432.7 Ų32.72%0.01720%0.196CC..EExtended strand (participates in β ladder)trans-152.2145.8172.4167174.1172.566.60109.5F164 C167 A168 V242 P267 T269 A493 Y494F164-K244 HydrophobicContact CB-CB 4.49Å; F164-K244 HydrophobicContact CD2-CB 4.02Å; F164-K244 HydrophobicContact CD2-CD 3.8Å; F164-K244 HydrophobicContact CE2-CD 3.76Å; F164-K244 HydrophobicContact CG-CB 4.24Å; C167-K244 WeakPolarHBondContact CA-O 3.47Å; A168-K244 PolarHBondContact N-O 2.93Å; V242-K244 WeakPolarHBondContact CG1-O 3.4Å; K244-P267 WeakPolarHBondContact CA-O 3.17Å; K244-P267 HydrophobicContact CG-CB 4.5Å; K244-T269 PolarHBondContact NZ-OG1 3.07Å; K244-A493 WeakPolarHBondContact CD-O 3.23Å; K244-A493 WeakPolarHBondContact CE-O 3.3Å; K244-A493 PolarHBondContact NZ-O 3.22Å; K244-Y494 HydrophobicContact CD-CD1 3.62Å; K244-Y494 HydrophobicContact CD-CE1 3.9Å; K244-Y494 HydrophobicContact CD-CG 4.37Å; K244-Y494 VanDerWaalsContact CE-CD1 3.46Å; K244-Y494 VanDerWaalsContact CE-CE1 3.47Å; K244-Y494 HydrophobicContact CG-CE1 4.47Å
245V98.8Very high98.2Very high2 Ų237.2 Ų37.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-119.5142.8174.1-68.90000111.7A168 V237 V242 V257 A261 I266 P267 S268 T269A168-V245 HydrophobicContact CB-CG1 4.32Å; A168-V245 CarbonylContact O-C 3.56Å; A168-V245 WeakPolarHBondContact O-CA 3.35Å; V237-V245 HydrophobicContact CB-CG1 4.46Å; V237-V245 HydrophobicContact CG1-CG1 4.21Å; V237-V245 HydrophobicContact CG2-CG1 4.16Å; V242-V245 HydrophobicContact CG1-CG1 3.86Å; V245-V257 HydrophobicContact CB-CG1 4.4Å; V245-V257 HydrophobicContact CG2-CG1 3.86Å; V245-A261 HydrophobicContact CG2-CB 4.25Å; V245-I266 HydrophobicContact CG1-CD1 3.95Å; V245-I266 HydrophobicContact CG2-CD1 4.27Å; V245-P267 PolarHBondContact N-O 3.1Å; V245-P267 VanDerWaalsContact N-O 3.09Å; V245-S268 WeakPolarHBondContact CG2-OG 3.29Å; V245-S268 CarbonylContact O-C 3.56Å; V245-S268 VanDerWaalsContact O-CA 3.27Å; V245-S268 WeakPolarHBondContact O-CA 3.3Å; V245-T269 PolarHBondContact O-N 3.42Å
246S98.7Very high98.2Very high2 Ų238.6 Ų38.61%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-123.8131.4164.3174.40000109A168 G169 I170 K183 T269 E485 Y494A168-S246 PolarHBondContact O-N 2.9Å; G169-S246 CarbonylContact C-O 3.4Å; G169-S246 VanDerWaalsContact CA-O 3.26Å; G169-S246 WeakPolarHBondContact CA-O 3.5Å; I170-S246 PolarHBondContact N-O 2.82Å; K183-S246 PolarHBondContact NZ-OG 3.08Å; S246-T269 WeakPolarHBondContact CA-O 3.33Å; S246-E485 PolarHBondContact OG-OE1 2.66Å; S246-Y494 VanDerWaalsContact CB-OH 3.31Å; S246-Y494 WeakPolarHBondContact CB-OH 3.43Å
247F98.7Very high98.2Very high19 Ų1939 Ų398%0.08322%0.223CC..EExtended strand (participates in β ladder)trans-130129.7-177.1173.1-88.9000110.2I170 G254 V257 T269 L270 E271 L272I170-F247 HydrophobicContact CB-CD2 3.76Å; I170-F247 HydrophobicContact CB-CE2 4.39Å; I170-F247 HydrophobicContact CD1-CD2 4.3Å; I170-F247 HydrophobicContact CG2-CD2 3.73Å; I170-F247 HydrophobicContact CG2-CE2 3.84Å; F247-G254 VanDerWaalsContact CE1-N 3.3Å; F247-V257 HydrophobicContact CB-CB 4.48Å; F247-V257 HydrophobicContact CB-CG1 4.24Å; F247-V257 HydrophobicContact CB-CG2 4.15Å; F247-V257 HydrophobicContact CD2-CG2 3.57Å; F247-V257 HydrophobicContact CE2-CG2 4.16Å; F247-V257 HydrophobicContact CG-CG2 3.89Å; F247-T269 PolarHBondContact N-O 3.13Å; F247-L270 HydrophobicContact CB-CD2 3.87Å; F247-L270 HydrophobicContact CD1-CD2 4.32Å; F247-L270 HydrophobicContact CG-CD2 4.5Å; F247-L270 WeakPolarHBondContact O-CA 3.41Å; F247-E271 PolarHBondContact O-N 2.93Å; F247-L272 HydrophobicContact CD1-CD2 3.66Å; F247-L272 HydrophobicContact CE1-CD2 3.61Å
248T98.5Very high98.2Very high9 Ų941.6 Ų41.66%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-114.8127.2164.2-55.10000110.2I170 A172 M179 K183 E271I170-T248 PolarHBondContact O-N 3.15Å; A172-T248 HydrophobicContact CB-CG2 4.27Å; A172-T248 PolarHBondContact N-O 3.06Å; M179-T248 HydrophobicContact CE-CG2 3.95Å; M179-T248 HydrophobicContact SD-CG2 3.61Å; M179-T248 PolarHBondContact SD-OG1 3.43Å; K183-T248 VanDerWaalsContact CE-OG1 3.29Å; K183-T248 WeakPolarHBondContact CE-OG1 3.3Å; K183-T248 PolarHBondContact NZ-OG1 2.98Å; T248-E271 WeakPolarHBondContact CA-O 3.33Å; T248-E271 HydrophobicContact CG2-CB 4.04Å; T248-E271 WeakPolarHBondContact CG2-O 3.36Å
249G97.4Very high98.2Very high20 Ų2045.9 Ų45.921%0.20625%0.251CS..EExtended strand (participates in β ladder)trans164.2-150.8177.800000114.4E271 L272 G273G249-E271 PolarHBondContact N-O 2.7Å; G249-E271 VanDerWaalsContact N-O 3.12Å; G249-L272 WeakPolarHBondContact O-CA 3.22Å; G249-G273 PolarHBondContact O-N 3.22Å
250S96.8Very high98.1Very high68 Ų6846 Ų4648%0.47625%0.254SS..  trans-74.3157.2-177710000112.8A252 G253 G254S250-A252 PolarHBondContact O-N 3.01Å; S250-G253 PolarHBondContact O-N 3.46Å; S250-G253 VanDerWaalsContact O-N 3.08Å; S250-G253 PolarHBondContact OG-N 3.14Å; S250-G253 VanDerWaalsContact OG-N 3.17Å; S250-G254 PolarHBondContact O-N 3.21Å
251V97.9Very high98Very high27 Ų2741.6 Ų41.616%0.16423%0.226CC..Hα-helixtrans-55.7-39.7173.61780000111.9G254 R255 F434 L479V251-G254 PolarHBondContact O-N 3.19Å; V251-R255 WeakPolarHBondContact O-CG 3.45Å; V251-R255 PolarHBondContact O-N 3.42Å; V251-F434 HydrophobicContact CG2-CE1 3.67Å; V251-F434 HydrophobicContact CG2-CZ 4.33Å; V251-L479 HydrophobicContact CG1-CD1 4.48Å; V251-L479 HydrophobicContact CG1-CD2 4.45Å; V251-L479 HydrophobicContact CG2-CB 4.21Å
252A97.1Very high98Very high72 Ų7241.9 Ų41.960%0.59524%0.237SC*.Hα-helixtrans-62.5-44.6176.700000111.7S250 R255 S256S250-A252 PolarHBondContact O-N 3.01Å; A252-R255 PolarHBondContact O-N 2.8Å; A252-S256 PolarHBondContact O-N 2.94Å; A252-S256 VanDerWaalsContact O-N 3.13Å
253G97.7Very high97.9Very high20 Ų2049.7 Ų49.721%0.20627%0.274CS..Hα-helixtrans-63.2-45.3174.600000112.3S250 R255 S256 V257S250-G253 PolarHBondContact O-N 3.46Å; S250-G253 VanDerWaalsContact O-N 3.08Å; S250-G253 PolarHBondContact OG-N 3.14Å; S250-G253 VanDerWaalsContact OG-N 3.17Å; G253-R255 VanDerWaalsContact C-N 3.33Å; G253-R255 PolarHBondContact O-N 2.92Å; G253-S256 WeakPolarHBondContact O-CB 3.43Å; G253-S256 PolarHBondContact O-N 3.14Å; G253-V257 PolarHBondContact O-N 3.21Å
254G98.1Very high97.9Very high1 Ų146.4 Ų46.41%0.0126%0.261CS..Hα-helixtrans-58.8-41.9176.700000112.6F247 S250 V251 S256 V257 L258F247-G254 VanDerWaalsContact CE1-N 3.3Å; S250-G254 PolarHBondContact O-N 3.21Å; V251-G254 PolarHBondContact O-N 3.19Å; G254-S256 VanDerWaalsContact C-N 3.34Å; G254-S256 PolarHBondContact O-N 3.22Å; G254-V257 PolarHBondContact O-N 3Å; G254-L258 WeakPolarHBondContact O-CG 3.48Å; G254-L258 PolarHBondContact O-N 2.9Å
255R98.2Very high97.8Very high141 Ų14153.6 Ų53.653%0.53230%0.298SS..Hα-helixtrans-61.2-40.4173.1-75.4175.5176.6163.81.6112.3V251 A252 G253 L258 K259V251-R255 WeakPolarHBondContact O-CG 3.45Å; V251-R255 PolarHBondContact O-N 3.42Å; A252-R255 PolarHBondContact O-N 2.8Å; G253-R255 VanDerWaalsContact C-N 3.33Å; G253-R255 PolarHBondContact O-N 2.92Å; R255-L258 PolarHBondContact O-N 2.86Å; R255-K259 WeakPolarHBondContact O-CG 3.47Å; R255-K259 PolarHBondContact O-N 3.3Å
256S97.7Very high97.8Very high51 Ų5154.3 Ų54.336%0.35730%0.302SS..Hα-helixtrans-62.9-47.6176.2-158.90000111.3Q234 A252 G253 G254 L258 K259 C260Q234-S256 PolarHBondContact OE1-OG 2.88Å; Q234-S256 VanDerWaalsContact OE1-OG 3.09Å; A252-S256 PolarHBondContact O-N 2.94Å; A252-S256 VanDerWaalsContact O-N 3.13Å; G253-S256 WeakPolarHBondContact O-CB 3.43Å; G253-S256 PolarHBondContact O-N 3.14Å; G254-S256 VanDerWaalsContact C-N 3.34Å; G254-S256 PolarHBondContact O-N 3.22Å; S256-L258 VanDerWaalsContact C-N 3.33Å; S256-L258 PolarHBondContact O-N 2.83Å; S256-K259 PolarHBondContact O-N 2.88Å; S256-C260 PolarHBondContact O-N 3.13Å
257V98.1Very high97.8Very high8 Ų857 Ų575%0.04832%0.319CS..Hα-helixtrans-60-44177.51740000111.1V237 V245 F247 G253 G254 K259 C260 A261 L270V237-V257 HydrophobicContact CG1-CG1 4.31Å; V237-V257 HydrophobicContact CG2-CG1 4.42Å; V237-V257 HydrophobicContact CG2-CG2 4.32Å; V245-V257 HydrophobicContact CB-CG1 4.4Å; V245-V257 HydrophobicContact CG2-CG1 3.86Å; F247-V257 HydrophobicContact CB-CB 4.48Å; F247-V257 HydrophobicContact CB-CG1 4.24Å; F247-V257 HydrophobicContact CB-CG2 4.15Å; F247-V257 HydrophobicContact CD2-CG2 3.57Å; F247-V257 HydrophobicContact CE2-CG2 4.16Å; F247-V257 HydrophobicContact CG-CG2 3.89Å; G253-V257 PolarHBondContact O-N 3.21Å; G254-V257 PolarHBondContact O-N 3Å; V257-K259 PolarHBondContact O-N 3.34Å; V257-C260 PolarHBondContact O-N 3.19Å; V257-A261 WeakPolarHBondContact O-CB 3.3Å; V257-A261 PolarHBondContact O-N 3.41Å; V257-L270 HydrophobicContact CG1-CD2 4.36Å
258L97.9Very high97.8Very high58 Ų5856.8 Ų56.830%0.30432%0.32SS..Hα-helixtrans-63-41178.2-78179.5000113.8G254 R255 S256 C260 A261 A262 L270 F482G254-L258 WeakPolarHBondContact O-CG 3.48Å; G254-L258 PolarHBondContact O-N 2.9Å; R255-L258 PolarHBondContact O-N 2.86Å; S256-L258 VanDerWaalsContact C-N 3.33Å; S256-L258 PolarHBondContact O-N 2.83Å; L258-C260 PolarHBondContact O-N 3.04Å; L258-A261 PolarHBondContact O-N 3.27Å; L258-A262 VanDerWaalsContact O-CB 3.26Å; L258-A262 WeakPolarHBondContact O-CB 3.48Å; L258-A262 PolarHBondContact O-N 3.34Å; L258-L270 HydrophobicContact CD1-CD1 3.5Å; L258-L270 HydrophobicContact CD2-CD1 3.77Å; L258-L270 HydrophobicContact CD2-CG 4.39Å; L258-L270 HydrophobicContact CG-CD1 3.51Å; L258-L270 HydrophobicContact CG-CG 4.49Å; L258-F482 HydrophobicContact CD1-CE1 4.15Å; L258-F482 HydrophobicContact CD2-CE1 3.91Å; L258-F482 HydrophobicContact CD2-CZ 3.71Å
259K98Very high97.8Very high158 Ų15856.6 Ų56.669%0.68732%0.319SS*.Hα-helixtrans-57.7-43.4177.1-75.9174.4177.5-174.70110.7R255 S256 V257 A262 E263R255-K259 WeakPolarHBondContact O-CG 3.47Å; R255-K259 PolarHBondContact O-N 3.3Å; S256-K259 PolarHBondContact O-N 2.88Å; V257-K259 PolarHBondContact O-N 3.34Å; K259-A262 PolarHBondContact O-N 3.49Å; K259-E263 PolarHBondContact O-N 2.89Å
260C97.1Very high97.8Very high19 Ų1955.8 Ų55.813%0.12831%0.31CS..Hα-helixtrans-72.5-38.2178.7-64.60000112.7Q234 V237 N238 S256 V257 L258 A262 E263 R264Q234-C260 VanDerWaalsContact CD-SG 3.57Å; Q234-C260 PolarHBondContact NE2-SG 2.82Å; V237-C260 HydrophobicContact CG1-CB 3.61Å; N238-C260 WeakPolarHBondContact OD1-CB 3.22Å; S256-C260 PolarHBondContact O-N 3.13Å; V257-C260 PolarHBondContact O-N 3.19Å; L258-C260 PolarHBondContact O-N 3.04Å; C260-A262 VanDerWaalsContact C-N 3.3Å; C260-A262 PolarHBondContact O-N 3.3Å; C260-E263 PolarHBondContact O-N 3.43Å; C260-R264 WeakPolarHBondContact O-CB 3.49Å; C260-R264 WeakPolarHBondContact O-CG 3.4Å; C260-R264 PolarHBondContact O-N 2.95Å; C260-R264 VanDerWaalsContact O-N 3.16Å
261A97.2Very high97.9Very high4 Ų452.9 Ų52.93%0.03329%0.289CS..Hα-helixtrans-64.6-36174.100000112.4V245 V257 L258 R264 I265 I266 S268V245-A261 HydrophobicContact CG2-CB 4.25Å; V257-A261 WeakPolarHBondContact O-CB 3.3Å; V257-A261 PolarHBondContact O-N 3.41Å; L258-A261 PolarHBondContact O-N 3.27Å; A261-R264 CarbonylContact O-C 3.54Å; A261-R264 PolarHBondContact O-N 2.66Å; A261-I265 WeakPolarHBondContact O-CA 3.21Å; A261-I265 PolarHBondContact O-N 2.87Å; A261-I266 HydrophobicContact CB-CG1 3.9Å; A261-I266 PolarHBondContact O-N 2.91Å; A261-S268 WeakPolarHBondContact CB-OG 3.23Å
262A98.1Very high97.9Very high69 Ų6952.1 Ų52.157%0.5728%0.284SS*.Hα-helixtrans-66.9-47176.100000111.4L258 K259 C260 R264 I265L258-A262 VanDerWaalsContact O-CB 3.26Å; L258-A262 WeakPolarHBondContact O-CB 3.48Å; L258-A262 PolarHBondContact O-N 3.34Å; K259-A262 PolarHBondContact O-N 3.49Å; C260-A262 VanDerWaalsContact C-N 3.3Å; C260-A262 PolarHBondContact O-N 3.3Å; A262-R264 PolarHBondContact O-N 3.34Å; A262-I265 PolarHBondContact O-N 3.25Å
263E97.7Very high97.8Very high164 Ų16449 Ų4977%0.76626%0.258SS*.Hα-helixtrans-56.1-35175.4-173.259.7-152.800111.9K259 C260K259-E263 PolarHBondContact O-N 2.89Å; C260-E263 PolarHBondContact O-N 3.43Å
264R97.3Very high97.8Very high58 Ų5848.1 Ų48.122%0.21925%0.249CC..Hα-helixtrans-96.5-7.7-177.6-64.4-173.161.7-148-8.3114.9V237 H239 P240 V242 C260 A261 A262 I266V237-R264 PolarHBondContact O-NH1 2.91Å; H239-R264 PolarHBondContact O-NH1 2.75Å; H239-R264 PolarHBondContact O-NH2 3.49Å; P240-R264 VanDerWaalsContact C-NH2 3.33Å; P240-R264 VanDerWaalsContact CA-NH2 3.34Å; P240-R264 PolarHBondContact O-NH2 2.54Å; V242-R264 PolarHBondContact O-NH1 2.94Å; V242-R264 PolarHBondContact O-NH2 3.11Å; C260-R264 WeakPolarHBondContact O-CB 3.49Å; C260-R264 WeakPolarHBondContact O-CG 3.4Å; C260-R264 PolarHBondContact O-N 2.95Å; C260-R264 VanDerWaalsContact O-N 3.16Å; A261-R264 CarbonylContact O-C 3.54Å; A261-R264 PolarHBondContact O-N 2.66Å; A262-R264 PolarHBondContact O-N 3.34Å; R264-I266 HydrophobicContact CB-CG1 4.31Å; R264-I266 HydrophobicContact CB-CG2 4.28Å
265I98Very high97.8Very high155 Ų15548.3 Ų48.380%0.79525%0.25SC*.THydrogen-bonded Turntrans49.358.8-172.4-46.2-180000111.3A261 A262A261-I265 WeakPolarHBondContact O-CA 3.21Å; A261-I265 PolarHBondContact O-N 2.87Å; A262-I265 PolarHBondContact O-N 3.25Å
266I98.4Very high97.8Very high17 Ų1741.7 Ų41.79%0.08723%0.225CC..  trans-117.4141.7175.259.7171.9000112.2V245 A261 R264V245-I266 HydrophobicContact CG1-CD1 3.95Å; V245-I266 HydrophobicContact CG2-CD1 4.27Å; A261-I266 HydrophobicContact CB-CG1 3.9Å; A261-I266 PolarHBondContact O-N 2.91Å; R264-I266 HydrophobicContact CB-CG1 4.31Å; R264-I266 HydrophobicContact CB-CG2 4.28Å
267P98.3Very high97.8Very high58 Ų5839.3 Ų39.338%0.37721%0.208SC..  trans-58.4142.9174.8-2534.9000112.3F164 R243 K244 V245F164-P267 HydrophobicContact CE1-CG 3.85Å; F164-P267 HydrophobicContact CZ-CB 4.42Å; F164-P267 HydrophobicContact CZ-CG 3.93Å; R243-P267 WeakPolarHBondContact O-CD 3.45Å; K244-P267 WeakPolarHBondContact CA-O 3.17Å; K244-P267 HydrophobicContact CG-CB 4.5Å; V245-P267 PolarHBondContact N-O 3.1Å; V245-P267 VanDerWaalsContact N-O 3.09Å
268S98.2Very high97.8Very high16 Ų1638.9 Ų38.911%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-129.9144.9180-61.50000111.1V245 A261 F482V245-S268 WeakPolarHBondContact CG2-OG 3.29Å; V245-S268 CarbonylContact O-C 3.56Å; V245-S268 VanDerWaalsContact O-CA 3.27Å; V245-S268 WeakPolarHBondContact O-CA 3.3Å; A261-S268 WeakPolarHBondContact CB-OG 3.23Å; S268-F482 VanDerWaalsContact O-CE2 3.23Å; S268-F482 WeakPolarHBondContact O-CE2 3.2Å
269T98.5Very high97.9Very high5 Ų536.1 Ų36.13%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-118130.8164.5-61.30000107.5K244 V245 S246 F247 E485K244-T269 PolarHBondContact NZ-OG1 3.07Å; V245-T269 PolarHBondContact O-N 3.42Å; S246-T269 WeakPolarHBondContact CA-O 3.33Å; F247-T269 PolarHBondContact N-O 3.13Å; T269-E485 HydrophobicContact CG2-CG 4.3Å
270L98.5Very high97.9Very high2 Ų228.6 Ų28.61%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-127.1119-178.7-56.6-178.8000110.9F247 V257 L258 L272 G481 F482F247-L270 HydrophobicContact CB-CD2 3.87Å; F247-L270 HydrophobicContact CD1-CD2 4.32Å; F247-L270 HydrophobicContact CG-CD2 4.5Å; F247-L270 WeakPolarHBondContact O-CA 3.41Å; V257-L270 HydrophobicContact CG1-CD2 4.36Å; L258-L270 HydrophobicContact CD1-CD1 3.5Å; L258-L270 HydrophobicContact CD2-CD1 3.77Å; L258-L270 HydrophobicContact CD2-CG 4.39Å; L258-L270 HydrophobicContact CG-CD1 3.51Å; L258-L270 HydrophobicContact CG-CG 4.49Å; L270-L272 HydrophobicContact CB-CD1 4.3Å; L270-L272 HydrophobicContact CB-CD2 4.25Å; L270-L272 HydrophobicContact CB-CG 4.08Å; L270-L272 HydrophobicContact CD1-CD1 4.3Å; L270-G481 CarbonylContact O-C 3.53Å; L270-G481 WeakPolarHBondContact O-CA 3.28Å; L270-F482 HydrophobicContact CD1-CD1 4.23Å; L270-F482 HydrophobicContact CD1-CE1 3.73Å; L270-F482 HydrophobicContact CD1-CZ 4.3Å; L270-F482 HydrophobicContact CG-CE1 4.21Å; L270-F482 HydrophobicContact CG-CZ 4.43Å; L270-F482 PolarHBondContact N-O 2.94Å; L270-F482 PolarHBondContact O-N 3.42Å
271E98.3Very high98Very high7 Ų728.4 Ų28.43%0.03316%0.156CC..EExtended strand (participates in β ladder)trans-108.7102.2170.7-71.3-61.7118.500108.3F247 T248 G249 F474 G475 E485F247-E271 PolarHBondContact O-N 2.93Å; T248-E271 WeakPolarHBondContact CA-O 3.33Å; T248-E271 HydrophobicContact CG2-CB 4.04Å; T248-E271 WeakPolarHBondContact CG2-O 3.36Å; G249-E271 PolarHBondContact N-O 2.7Å; G249-E271 VanDerWaalsContact N-O 3.12Å; E271-F474 WeakPolarHBondContact OE2-CD1 3.09Å; E271-F474 VanDerWaalsContact OE2-CE1 3.29Å; E271-F474 WeakPolarHBondContact OE2-CE1 3.49Å; E271-G475 WeakPolarHBondContact OE1-CA 3.37Å; E271-G475 VanDerWaalsContact OE2-CA 3.29Å; E271-G475 WeakPolarHBondContact OE2-CA 3.3Å; E271-E485 HydrophobicContact CG-CG 3.65Å
272L98.2Very high98.1Very high12 Ų1230.9 Ų30.96%0.06317%0.174CC..EExtended strand (participates in β ladder)trans-109.9178.1-172-50.6176.6000111.4F247 G249 L270 L479 S480F247-L272 HydrophobicContact CD1-CD2 3.66Å; F247-L272 HydrophobicContact CE1-CD2 3.61Å; G249-L272 WeakPolarHBondContact O-CA 3.22Å; L270-L272 HydrophobicContact CB-CD1 4.3Å; L270-L272 HydrophobicContact CB-CD2 4.25Å; L270-L272 HydrophobicContact CB-CG 4.08Å; L270-L272 HydrophobicContact CD1-CD1 4.3Å; L272-L479 WeakPolarHBondContact CB-O 3.31Å; L272-L479 VanDerWaalsContact CD1-O 3.3Å; L272-L479 WeakPolarHBondContact CD1-O 3.37Å; L272-S480 PolarHBondContact N-O 2.84Å
273G95.5Very high98.1Very high5 Ų530.5 Ų30.55%0.05216%0.162CC..  trans-58.7171.6179.500000114.4G249 E408 F434 S480G249-G273 PolarHBondContact O-N 3.22Å; G273-E408 VanDerWaalsContact CA-OE1 3.28Å; G273-E408 WeakPolarHBondContact CA-OE1 3.41Å; G273-F434 VanDerWaalsContact O-CD1 3.26Å; G273-F434 WeakPolarHBondContact O-CD1 3.43Å; G273-S480 WeakPolarHBondContact O-CB 3.26Å; G273-S480 PolarHBondContact O-OG 2.84Å
274G96.7Very high98.2Very high2 Ų223.1 Ų23.12%0.02113%0.129CC..  trans-139.4168.6-176.300000114.1E408G274-E408 PolarHBondContact N-OE1 2.89Å; G274-E408 WeakPolarHBondContact O-CB 3.34Å; G274-E408 WeakPolarHBondContact O-CG 3.19Å
275K97.4Very high98.2Very high5 Ų523.7 Ų23.72%0.02214%0.136CC..  trans-145.459.2166.3-166.157.7174-167.40110.2A309 R310 V404 V405 E407 F434K275-A309 HydrophobicContact CD-CB 4.27Å; K275-R310 HydrophobicContact CD-CG 4.46Å; K275-R310 HydrophobicContact CG-CG 4.22Å; K275-R310 PolarHBondContact O-NE 2.94Å; K275-R310 PolarHBondContact O-NH2 3.13Å; K275-V404 WeakPolarHBondContact CE-O 3.48Å; K275-V404 PolarHBondContact NZ-O 3.33Å; K275-V405 WeakPolarHBondContact CE-O 3.43Å; K275-V405 WeakPolarHBondContact CG-O 3.13Å; K275-E407 WeakPolarHBondContact CD-O 3.36Å; K275-E407 WeakPolarHBondContact CE-O 3.19Å; K275-E407 PolarHBondContact NZ-O 3.26Å; K275-F434 HydrophobicContact CB-CB 4.37Å; K275-F434 HydrophobicContact CB-CD2 3.8Å; K275-F434 HydrophobicContact CB-CG 4.37Å
276S98.3Very high98.2Very high2 Ų218.2 Ų18.21%0.01411%0.108CC..  trans-64.1138.7-165.4-520000112.2S306 A308 R310 A437 Y465S276-S306 WeakPolarHBondContact CB-O 3.48Å; S276-S306 PolarHBondContact OG-O 2.8Å; S276-S306 VanDerWaalsContact OG-O 3.07Å; S276-A308 CarbonylContact O-C 3.5Å; S276-A308 WeakPolarHBondContact O-CA 3.21Å; S276-R310 PolarHBondContact O-N 2.9Å; S276-A437 WeakPolarHBondContact CA-O 2.99Å; S276-A437 WeakPolarHBondContact CB-O 3.49Å; S276-A437 PolarHBondContact OG-O 3.38Å; S276-Y465 VanDerWaalsContact CB-OH 3.28Å; S276-Y465 WeakPolarHBondContact CB-OH 3.09Å
277P98.5Very high98.2Very high1 Ų121.3 Ų21.31%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-82.9144.1169.933.6-31.9000111.3R310 F312 A437 G438 G439P277-R310 CarbonylContact C-O 3.59Å; P277-R310 WeakPolarHBondContact CA-O 3.36Å; P277-F312 HydrophobicContact CB-CD2 4.05Å; P277-F312 HydrophobicContact CB-CE2 3.83Å; P277-A437 WeakPolarHBondContact CD-O 3.44Å; P277-G438 CarbonylContact O-C 3.59Å; P277-G438 VanDerWaalsContact O-CA 3.3Å; P277-G438 WeakPolarHBondContact O-CA 3.41Å; P277-G439 PolarHBondContact O-N 2.89Å
278L98.8Very high98.3Very high0 Ų022.5 Ų22.50%013%0.126CC..EExtended strand (participates in β ladder)trans-120.4118.9164.8-177.663.3000109.1I280 T293 A296 A308 R310 V311 F312 F441 Y465L278-I280 HydrophobicContact CD1-CD1 4.49Å; L278-I280 HydrophobicContact CD2-CD1 4.2Å; L278-I280 HydrophobicContact CG-CD1 3.91Å; L278-T293 HydrophobicContact CD2-CG2 4.36Å; L278-T293 WeakPolarHBondContact CD2-OG1 3.45Å; L278-A296 HydrophobicContact CD2-CB 4.07Å; L278-A308 HydrophobicContact CB-CB 3.64Å; L278-R310 PolarHBondContact N-O 3.16Å; L278-V311 HydrophobicContact CB-CG2 4.29Å; L278-V311 HydrophobicContact CD2-CG1 4.48Å; L278-V311 HydrophobicContact CD2-CG2 4.23Å; L278-V311 CarbonylContact O-C 3.54Å; L278-F312 PolarHBondContact O-N 3.42Å; L278-F441 HydrophobicContact CD1-CD2 3.79Å; L278-F441 HydrophobicContact CD1-CE2 3.75Å; L278-Y465 HydrophobicContact CD1-CD2 3.81Å; L278-Y465 HydrophobicContact CD1-CE2 4.09Å
279I98.9Very high98.3Very high0 Ų021.8 Ų21.80%012%0.121CC..EExtended strand (participates in β ladder)trans-106121.4-173.1-57.8167.4000109.3M281 F312 F419 I425 G439 V440 F441 I451 L455I279-M281 HydrophobicContact CG2-CG 4.3Å; I279-M281 HydrophobicContact CG2-SD 3.57Å; I279-M281 VanDerWaalsContact CG2-SD 3.57Å; I279-F312 CarbonylContact C-O 3.55Å; I279-F419 HydrophobicContact CG2-CE1 4.08Å; I279-F419 HydrophobicContact CG2-CZ 3.82Å; I279-I425 HydrophobicContact CB-CG1 4.32Å; I279-I425 HydrophobicContact CD1-CG1 3.77Å; I279-I425 HydrophobicContact CG1-CD1 4.15Å; I279-I425 HydrophobicContact CG1-CG1 3.64Å; I279-I425 HydrophobicContact CG2-CG1 3.79Å; I279-I425 HydrophobicContact CG2-CG2 4.33Å; I279-G439 PolarHBondContact N-O 3.4Å; I279-V440 HydrophobicContact CB-CB 4.45Å; I279-V440 HydrophobicContact CB-CG2 4.34Å; I279-V440 HydrophobicContact CG2-CG2 4.39Å; I279-V440 CarbonylContact O-C 3.59Å; I279-V440 WeakPolarHBondContact O-CA 3.46Å; I279-F441 PolarHBondContact O-N 3.11Å; I279-I451 HydrophobicContact CD1-CG2 3.75Å; I279-L455 HydrophobicContact CD1-CD1 4.17Å; I279-L455 HydrophobicContact CD1-CD2 4.31Å
280I98.9Very high98.3Very high0 Ų021.7 Ų21.70%012%0.12CC..EExtended strand (participates in β ladder)trans-108.9102.8175.7-44.3-55.6000108.2L278 A284 A289 V311 F312 V313 H314 I317 F321 F441L278-I280 HydrophobicContact CD1-CD1 4.49Å; L278-I280 HydrophobicContact CD2-CD1 4.2Å; L278-I280 HydrophobicContact CG-CD1 3.91Å; I280-A284 HydrophobicContact CG2-CB 3.73Å; I280-A289 HydrophobicContact CD1-CB 4.08Å; I280-A289 HydrophobicContact CG2-CB 3.74Å; I280-V311 HydrophobicContact CG1-CG1 4.42Å; I280-F312 PolarHBondContact N-O 2.94Å; I280-V313 HydrophobicContact CB-CG1 4.25Å; I280-V313 HydrophobicContact CB-CG2 4.42Å; I280-V313 HydrophobicContact CG1-CG2 4.22Å; I280-H314 PolarHBondContact O-N 3.42Å; I280-I317 HydrophobicContact CG2-CD1 3.84Å; I280-F321 HydrophobicContact CG1-CE2 4.09Å; I280-F321 HydrophobicContact CG1-CZ 4.11Å; I280-F321 HydrophobicContact CG2-CD2 4.25Å; I280-F321 HydrophobicContact CG2-CE2 4.32Å; I280-F441 HydrophobicContact CD1-CB 3.87Å; I280-F441 HydrophobicContact CD1-CD2 3.84Å; I280-F441 HydrophobicContact CD1-CG 4.06Å
281M98.8Very high98.3Very high14 Ų1426.9 Ų26.97%0.06914%0.143CC..  trans-73.2160.4-179-61.6-56.5-67.700111.7I279 D283 A284 I317 F419 V440 F441 T447 I451I279-M281 HydrophobicContact CG2-CG 4.3Å; I279-M281 HydrophobicContact CG2-SD 3.57Å; I279-M281 VanDerWaalsContact CG2-SD 3.57Å; M281-D283 WeakPolarHBondContact CB-OD1 3.42Å; M281-D283 PolarHBondContact O-N 3.12Å; M281-D283 VanDerWaalsContact O-N 3.11Å; M281-A284 WeakPolarHBondContact O-CB 3.25Å; M281-A284 PolarHBondContact O-N 3.39Å; M281-I317 WeakPolarHBondContact O-CD1 3.16Å; M281-F419 HydrophobicContact CE-CE2 4.32Å; M281-F419 HydrophobicContact SD-CE2 3.97Å; M281-F419 HydrophobicContact SD-CZ 3.68Å; M281-V440 HydrophobicContact CG-CG2 4.11Å; M281-F441 WeakPolarHBondContact CB-O 3.31Å; M281-F441 PolarHBondContact N-O 3.35Å; M281-T447 HydrophobicContact CE-CG2 4.01Å; M281-T447 HydrophobicContact CG-CG2 4.39Å; M281-I451 HydrophobicContact CE-CD1 4.12Å; M281-I451 HydrophobicContact CG-CD1 4.25Å; M281-I451 HydrophobicContact SD-CD1 3.66Å
282S98.6Very high98.3Very high57 Ų5726.9 Ų26.940%0.39915%0.145SC..THydrogen-bonded Turntrans-57.5-27.5-17756.80000114.8H314S282-H314 WeakPolarHBondContact CB-ND1 3.44Å
283D98.5Very high98.3Very high60 Ų6026.3 Ų26.332%0.32114%0.142SC..THydrogen-bonded Turntrans-98.45.5-179.173-33.9000112.9M281 T442 Q443 N444M281-D283 WeakPolarHBondContact CB-OD1 3.42Å; M281-D283 PolarHBondContact O-N 3.12Å; M281-D283 VanDerWaalsContact O-N 3.11Å; D283-T442 WeakPolarHBondContact OD1-CB 3.25Å; D283-T442 PolarHBondContact OD1-OG1 2.78Å; D283-T442 PolarHBondContact OD2-OG1 2.75Å; D283-Q443 WeakPolarHBondContact O-CG 3.44Å; D283-Q443 PolarHBondContact OD2-N 3.05Å; D283-Q443 VanDerWaalsContact OD2-N 3.11Å; D283-N444 WeakPolarHBondContact OD2-CB 3.38Å; D283-N444 PolarHBondContact OD2-N 2.91Å
284A98.7Very high98.5Very high10 Ų1027.9 Ų27.98%0.08315%0.148CC..SBendtrans-59.9142.2179.400000111.4I280 M281 L286 A289 F441I280-A284 HydrophobicContact CG2-CB 3.73Å; M281-A284 WeakPolarHBondContact O-CB 3.25Å; M281-A284 PolarHBondContact O-N 3.39Å; A284-L286 PolarHBondContact O-N 2.77Å; A284-L286 VanDerWaalsContact O-N 3.13Å; A284-A289 HydrophobicContact CB-CB 4.43Å; A284-F441 HydrophobicContact CB-CB 4.12Å; A284-F441 WeakPolarHBondContact CB-O 3.24Å
285N98.6Very high98.5Very high69 Ų6931.5 Ų31.537%0.36917%0.166SC..  trans-66.1113.5164.4179.3-38.7000108.1D287 E288 A289N285-D287 VanDerWaalsContact C-N 3.34Å; N285-D287 PolarHBondContact O-N 2.97Å; N285-D287 PolarHBondContact OD1-N 2.9Å; N285-E288 HydrophobicContact CB-CB 4.19Å; N285-E288 HydrophobicContact CB-CG 4.26Å; N285-E288 PolarHBondContact O-N 2.72Å; N285-E288 PolarHBondContact OD1-N 3.4Å; N285-A289 VanDerWaalsContact O-CB 3.26Å; N285-A289 WeakPolarHBondContact O-CB 3.33Å; N285-A289 PolarHBondContact O-N 3.19Å
286L98.4Very high98.5Very high40 Ų4031.3 Ų31.321%0.20917%0.165CC..Hα-helixtrans-62.3-37.9-173.9-68.4-178.3000113.2A284 A289 V290 I317 P320 F321 K324A284-L286 PolarHBondContact O-N 2.77Å; A284-L286 VanDerWaalsContact O-N 3.13Å; L286-A289 PolarHBondContact O-N 3.26Å; L286-V290 WeakPolarHBondContact O-CB 3.31Å; L286-V290 VanDerWaalsContact O-CG2 3.28Å; L286-V290 WeakPolarHBondContact O-CG2 3.33Å; L286-V290 PolarHBondContact O-N 3.31Å; L286-I317 HydrophobicContact CD2-CB 4.23Å; L286-I317 HydrophobicContact CD2-CD1 3.92Å; L286-P320 HydrophobicContact CD1-CB 4.15Å; L286-P320 HydrophobicContact CD1-CG 4.42Å; L286-F321 HydrophobicContact CD2-CB 4.14Å; L286-F321 HydrophobicContact CD2-CD2 4.39Å; L286-K324 HydrophobicContact CB-CD 4.13Å
287D98.6Very high98.5Very high83 Ų8331.2 Ų31.244%0.44416%0.164SC..Hα-helixtrans-70.2-41.4-178.3-65.2-34.2000110.6N285 V290 K291 K324N285-D287 VanDerWaalsContact C-N 3.34Å; N285-D287 PolarHBondContact O-N 2.97Å; N285-D287 PolarHBondContact OD1-N 2.9Å; D287-V290 PolarHBondContact O-N 3.31Å; D287-K291 VanDerWaalsContact O-CG 3.32Å; D287-K291 WeakPolarHBondContact O-CG 3.35Å; D287-K291 PolarHBondContact O-N 3.23Å; D287-K291 VanDerWaalsContact O-N 3.09Å; D287-K324 IonicContact OD1-NZ 3.36Å; D287-K324 PolarHBondContact OD1-NZ 3.06Å
288E98.6Very high98.5Very high83 Ų8331.6 Ų31.639%0.38817%0.166SC..Hα-helixtrans-68.5-39.9174.5-62.9-52.1132.300112.3N285 V290 K291 G292 F441N285-E288 HydrophobicContact CB-CB 4.19Å; N285-E288 HydrophobicContact CB-CG 4.26Å; N285-E288 PolarHBondContact O-N 2.72Å; N285-E288 PolarHBondContact OD1-N 3.4Å; E288-V290 VanDerWaalsContact C-N 3.32Å; E288-V290 PolarHBondContact O-N 2.97Å; E288-K291 PolarHBondContact O-N 3.4Å; E288-K291 IonicContact OE1-NZ 2.93Å; E288-K291 PolarHBondContact OE1-NZ 2.83Å; E288-K291 IonicContact OE2-NZ 3.65Å; E288-G292 PolarHBondContact O-N 3.35Å; E288-F441 WeakPolarHBondContact O-CE1 3.4Å
289A98.8Very high98.4Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-61.5-39.1175.700000112.3I280 A284 N285 L286 T293 F321 F441I280-A289 HydrophobicContact CD1-CB 4.08Å; I280-A289 HydrophobicContact CG2-CB 3.74Å; A284-A289 HydrophobicContact CB-CB 4.43Å; N285-A289 VanDerWaalsContact O-CB 3.26Å; N285-A289 WeakPolarHBondContact O-CB 3.33Å; N285-A289 PolarHBondContact O-N 3.19Å; L286-A289 PolarHBondContact O-N 3.26Å; A289-T293 WeakPolarHBondContact O-CB 3.46Å; A289-T293 PolarHBondContact O-N 3.37Å; A289-T293 PolarHBondContact O-OG1 3.04Å; A289-F321 HydrophobicContact CB-CD2 4.33Å; A289-F321 HydrophobicContact CB-CE2 3.96Å; A289-F441 HydrophobicContact CB-CB 4.18Å; A289-F441 HydrophobicContact CB-CD1 4.11Å; A289-F441 HydrophobicContact CB-CG 4.19Å
290V98.8Very high98.3Very high4 Ų432.8 Ų32.82%0.02417%0.171CC..Hα-helixtrans-66.9-48.6174.7168.60000110.4L286 D287 E288 G292 T293 L294 F321 K324 L325 S328L286-V290 WeakPolarHBondContact O-CB 3.31Å; L286-V290 VanDerWaalsContact O-CG2 3.28Å; L286-V290 WeakPolarHBondContact O-CG2 3.33Å; L286-V290 PolarHBondContact O-N 3.31Å; D287-V290 PolarHBondContact O-N 3.31Å; E288-V290 VanDerWaalsContact C-N 3.32Å; E288-V290 PolarHBondContact O-N 2.97Å; V290-G292 VanDerWaalsContact C-N 3.32Å; V290-G292 PolarHBondContact O-N 3.14Å; V290-T293 WeakPolarHBondContact O-CB 3.38Å; V290-T293 PolarHBondContact O-N 2.9Å; V290-L294 HydrophobicContact CG1-CD1 4.28Å; V290-L294 HydrophobicContact CG1-CG 4.45Å; V290-L294 WeakPolarHBondContact O-CG 3.47Å; V290-L294 PolarHBondContact O-N 3.16Å; V290-F321 HydrophobicContact CG2-CD2 3.89Å; V290-F321 HydrophobicContact CG2-CE2 3.77Å; V290-K324 HydrophobicContact CG2-CB 3.9Å; V290-L325 HydrophobicContact CG1-CD1 4.37Å; V290-L325 HydrophobicContact CG2-CB 4.45Å; V290-S328 WeakPolarHBondContact CG1-OG 3.36Å
291K98.3Very high98.2Very high111 Ų11132.8 Ų32.848%0.48317%0.171SC..Hα-helixtrans-54.9-47.4175.8-69.1169.4-168.4171.10112D287 E288 T293 L294 M295D287-K291 VanDerWaalsContact O-CG 3.32Å; D287-K291 WeakPolarHBondContact O-CG 3.35Å; D287-K291 PolarHBondContact O-N 3.23Å; D287-K291 VanDerWaalsContact O-N 3.09Å; E288-K291 PolarHBondContact O-N 3.4Å; E288-K291 IonicContact OE1-NZ 2.93Å; E288-K291 PolarHBondContact OE1-NZ 2.83Å; E288-K291 IonicContact OE2-NZ 3.65Å; K291-T293 VanDerWaalsContact C-N 3.31Å; K291-T293 PolarHBondContact O-N 3.42Å; K291-L294 PolarHBondContact O-N 2.98Å; K291-M295 PolarHBondContact O-N 2.92Å
292G98.4Very high98.2Very high7 Ų732.1 Ų32.17%0.07217%0.168CC..Hα-helixtrans-58.4-42.3175.500000112.7E288 V290 M295 A296E288-G292 PolarHBondContact O-N 3.35Å; V290-G292 VanDerWaalsContact C-N 3.32Å; V290-G292 PolarHBondContact O-N 3.14Å; G292-M295 PolarHBondContact O-N 2.67Å; G292-A296 WeakPolarHBondContact O-CB 3.33Å; G292-A296 PolarHBondContact O-N 2.77Å
293T98.7Very high98.1Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-64.8-39.5178.1-61.40000112.6L278 A289 V290 K291 A296 N297 V311 F321 L325 I414L278-T293 HydrophobicContact CD2-CG2 4.36Å; L278-T293 WeakPolarHBondContact CD2-OG1 3.45Å; A289-T293 WeakPolarHBondContact O-CB 3.46Å; A289-T293 PolarHBondContact O-N 3.37Å; A289-T293 PolarHBondContact O-OG1 3.04Å; V290-T293 WeakPolarHBondContact O-CB 3.38Å; V290-T293 PolarHBondContact O-N 2.9Å; K291-T293 VanDerWaalsContact C-N 3.31Å; K291-T293 PolarHBondContact O-N 3.42Å; T293-A296 PolarHBondContact O-N 3.48Å; T293-N297 WeakPolarHBondContact O-CB 3.36Å; T293-N297 PolarHBondContact O-N 3.06Å; T293-N297 PolarHBondContact O-ND2 2.94Å; T293-N297 VanDerWaalsContact O-ND2 3.11Å; T293-V311 HydrophobicContact CG2-CG1 4.25Å; T293-V311 HydrophobicContact CG2-CG2 4.02Å; T293-F321 HydrophobicContact CG2-CZ 4.24Å; T293-F321 WeakPolarHBondContact OG1-CZ 3.42Å; T293-L325 HydrophobicContact CG2-CD1 3.82Å; T293-L325 HydrophobicContact CG2-CD2 4.19Å; T293-I414 HydrophobicContact CG2-CD1 3.85Å
294L98.3Very high98.1Very high37 Ų3726.7 Ų26.719%0.19413%0.134CC..Hα-helixtrans-63-49.9175.1-60.8169.1000110.6V290 K291 A296 N297 F298 L325 V329 I332V290-L294 HydrophobicContact CG1-CD1 4.28Å; V290-L294 HydrophobicContact CG1-CG 4.45Å; V290-L294 WeakPolarHBondContact O-CG 3.47Å; V290-L294 PolarHBondContact O-N 3.16Å; K291-L294 PolarHBondContact O-N 2.98Å; L294-A296 PolarHBondContact O-N 3.27Å; L294-N297 PolarHBondContact O-N 3.46Å; L294-F298 HydrophobicContact CB-CD2 4.38Å; L294-F298 HydrophobicContact CD2-CD2 3.88Å; L294-F298 HydrophobicContact CD2-CE2 3.93Å; L294-F298 PolarHBondContact O-N 3.17Å; L294-L325 HydrophobicContact CD2-CD1 4.02Å; L294-V329 HydrophobicContact CD2-CG2 3.55Å; L294-I332 HydrophobicContact CD2-CD1 4.19Å
295M97.4Very high98Very high79 Ų7927.2 Ų27.239%0.38914%0.137SC..Hα-helixtrans-61.4-34.6177.2-70.6-50.7-53.900112.4K291 G292 N297 Y299 N466K291-M295 PolarHBondContact O-N 2.92Å; G292-M295 PolarHBondContact O-N 2.67Å; M295-N297 VanDerWaalsContact C-N 3.29Å; M295-N297 PolarHBondContact O-N 3.48Å; M295-Y299 HydrophobicContact CE-CD2 3.62Å; M295-Y299 HydrophobicContact CE-CE2 4.34Å; M295-Y299 HydrophobicContact CE-CG 3.99Å; M295-Y299 VanDerWaalsContact O-CB 3.24Å; M295-Y299 WeakPolarHBondContact O-CB 3.4Å; M295-N466 PolarHBondContact O-ND2 2.94Å
296A98Very high98Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-74.2-14.3-179.400000114.9L278 G292 T293 L294 N307 A308 Y465L278-A296 HydrophobicContact CD2-CB 4.07Å; G292-A296 WeakPolarHBondContact O-CB 3.33Å; G292-A296 PolarHBondContact O-N 2.77Å; T293-A296 PolarHBondContact O-N 3.48Å; L294-A296 PolarHBondContact O-N 3.27Å; A296-N307 CarbonylContact O-C 3.56Å; A296-N307 WeakPolarHBondContact O-CA 3.19Å; A296-N307 PolarHBondContact O-OD1 3.19Å; A296-A308 HydrophobicContact CB-CB 3.75Å; A296-A308 PolarHBondContact O-N 3.06Å; A296-Y465 VanDerWaalsContact CA-CD1 3.45Å; A296-Y465 HydrophobicContact CB-CD1 3.32Å; A296-Y465 HydrophobicContact CB-CD2 4.08Å; A296-Y465 HydrophobicContact CB-CE1 3.77Å; A296-Y465 HydrophobicContact CB-CE2 4.45Å; A296-Y465 HydrophobicContact CB-CG 3.51Å
297N98.2Very high97.9Very high0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-132.5-22.9-169.9-75.4-80.2000115.8T293 L294 M295 G302 N307 A308 A309 I414T293-N297 WeakPolarHBondContact O-CB 3.36Å; T293-N297 PolarHBondContact O-N 3.06Å; T293-N297 PolarHBondContact O-ND2 2.94Å; T293-N297 VanDerWaalsContact O-ND2 3.11Å; L294-N297 PolarHBondContact O-N 3.46Å; M295-N297 VanDerWaalsContact C-N 3.29Å; M295-N297 PolarHBondContact O-N 3.48Å; N297-G302 VanDerWaalsContact O-CA 3.24Å; N297-G302 WeakPolarHBondContact O-CA 3.26Å; N297-N307 WeakPolarHBondContact CA-OD1 3.4Å; N297-N307 PolarHBondContact OD1-ND2 3.42Å; N297-A308 PolarHBondContact ND2-O 3.36Å; N297-A308 VanDerWaalsContact ND2-O 3.15Å; N297-A308 PolarHBondContact OD1-O 3.48Å; N297-A308 VanDerWaalsContact OD1-O 3.13Å; N297-A309 VanDerWaalsContact OD1-CA 3.28Å; N297-A309 WeakPolarHBondContact OD1-CA 3.25Å; N297-A309 PolarHBondContact OD1-N 3.21Å; N297-I414 HydrophobicContact CB-CD1 3.94Å; N297-I414 HydrophobicContact CB-CG1 3.57Å; N297-I414 VanDerWaalsContact CG-CG1 3.49Å
298F97.9Very high97.9Very high9 Ų918.7 Ų18.74%0.0399%0.091CC..Hα-helixtrans-119.5-13.1-174.7-54.4-55.1000113.9L294 T300 Q301 V329 I332 M344 P392 P412 I414L294-F298 HydrophobicContact CB-CD2 4.38Å; L294-F298 HydrophobicContact CD2-CD2 3.88Å; L294-F298 HydrophobicContact CD2-CE2 3.93Å; L294-F298 PolarHBondContact O-N 3.17Å; F298-T300 PolarHBondContact O-N 3.08Å; F298-Q301 PolarHBondContact O-N 3.23Å; F298-V329 HydrophobicContact CD2-CG2 4.38Å; F298-V329 HydrophobicContact CE2-CG2 3.48Å; F298-V329 VanDerWaalsContact CE2-CG2 3.48Å; F298-V329 HydrophobicContact CZ-CG2 3.99Å; F298-I332 HydrophobicContact CB-CD1 4.02Å; F298-I332 HydrophobicContact CD2-CD1 3.41Å; F298-I332 VanDerWaalsContact CD2-CD1 3.41Å; F298-I332 HydrophobicContact CE2-CD1 4Å; F298-I332 HydrophobicContact CG-CD1 3.73Å; F298-M344 HydrophobicContact CB-SD 4.49Å; F298-M344 HydrophobicContact CD1-SD 4.41Å; F298-P392 HydrophobicContact CD1-CB 3.98Å; F298-P392 HydrophobicContact CE1-CB 3.54Å; F298-P392 HydrophobicContact CZ-CB 3.83Å; F298-P412 HydrophobicContact CD1-CB 3.66Å; F298-P412 HydrophobicContact CE1-CB 4.07Å; F298-I414 HydrophobicContact CE1-CD1 4.43Å; F298-I414 HydrophobicContact CE1-CG1 4.4Å; F298-I414 HydrophobicContact CE2-CD1 3.59Å; F298-I414 HydrophobicContact CE2-CG1 4.38Å; F298-I414 HydrophobicContact CZ-CD1 3.43Å; F298-I414 VanDerWaalsContact CZ-CD1 3.43Å; F298-I414 HydrophobicContact CZ-CG1 3.82Å
299Y96.2Very high97.6Very high24 Ų2415 Ų159%0.0948%0.075CC..G310 helixtrans-54.7130.4168.1-175-112.1000109.8E120 D124 F175 M295 Q301 G302 V304E120-Y299 HydrophobicContact CB-CE2 3.98Å; E120-Y299 HydrophobicContact CG-CD2 4.06Å; E120-Y299 HydrophobicContact CG-CE2 3.6Å; E120-Y299 WeakPolarHBondContact OE1-CD2 3.4Å; D124-Y299 PolarHBondContact OD1-OH 3.48Å; F175-Y299 AromaticContact CE1-CE1 3.94Å; F175-Y299 HydrophobicContact CE1-CE1 3.94Å; F175-Y299 HydrophobicContact CZ-CD1 4.42Å; F175-Y299 AromaticContact CZ-CE1 3.89Å; F175-Y299 HydrophobicContact CZ-CE1 3.89Å; M295-Y299 HydrophobicContact CE-CD2 3.62Å; M295-Y299 HydrophobicContact CE-CE2 4.34Å; M295-Y299 HydrophobicContact CE-CG 3.99Å; M295-Y299 VanDerWaalsContact O-CB 3.24Å; M295-Y299 WeakPolarHBondContact O-CB 3.4Å; Y299-Q301 PolarHBondContact O-N 3.43Å; Y299-Q301 VanDerWaalsContact O-N 3.1Å; Y299-G302 PolarHBondContact O-N 2.98Å; Y299-V304 HydrophobicContact CD1-CG2 4.07Å; Y299-V304 WeakPolarHBondContact O-CG2 3.05Å
300T97.1Very high97.6Very high1 Ų115.3 Ų15.31%0.0068%0.076CC..G310 helixtrans48.640.1-175.1-53.50000112K116 E120 F175 F298 G302 Q303K116-T300 HydrophobicContact CB-CG2 4.14Å; E120-T300 PolarHBondContact OE1-N 3.11Å; E120-T300 WeakPolarHBondContact OE2-CA 3.45Å; E120-T300 PolarHBondContact OE2-N 3.49Å; E120-T300 PolarHBondContact OE2-OG1 3.08Å; F175-T300 HydrophobicContact CZ-CG2 4.22Å; F298-T300 PolarHBondContact O-N 3.08Å; T300-G302 PolarHBondContact O-N 2.98Å; T300-G302 VanDerWaalsContact O-N 3.12Å; T300-Q303 VanDerWaalsContact O-CB 3.28Å; T300-Q303 WeakPolarHBondContact O-CB 3.36Å; T300-Q303 PolarHBondContact O-N 3.1Å
301Q97.4Very high97.6Very high1 Ų115.1 Ų15.11%0.0058%0.075CC..G310 helixtrans60.526.2175.9-5557.276.900112.5P117 F298 Y299 Q303 M344 G345 L347 G411 P412P117-Q301 VanDerWaalsContact CD-NE2 3.3Å; F298-Q301 PolarHBondContact O-N 3.23Å; Y299-Q301 PolarHBondContact O-N 3.43Å; Y299-Q301 VanDerWaalsContact O-N 3.1Å; Q301-Q303 HydrophobicContact CB-CG 4.36Å; Q301-Q303 PolarHBondContact O-N 3.35Å; Q301-M344 HydrophobicContact CB-CG 4.05Å; Q301-M344 HydrophobicContact CB-SD 4.46Å; Q301-M344 HydrophobicContact CG-CG 3.57Å; Q301-G345 VanDerWaalsContact CG-O 3.32Å; Q301-G345 WeakPolarHBondContact CG-O 3.33Å; Q301-L347 HydrophobicContact CB-CD2 3.81Å; Q301-G411 CarbonylContact O-C 3.54Å; Q301-G411 VanDerWaalsContact O-C 3.29Å; Q301-G411 WeakPolarHBondContact O-CA 3.5Å; Q301-P412 WeakPolarHBondContact O-CD 3.43Å; Q301-P412 VanDerWaalsContact O-N 3.09Å
302G97.9Very high97.6Very high0 Ų09.9 Ų9.90%05%0.052CC..G310 helixtrans69.911.2-174.600000114.3N297 Y299 T300 V304 N307 F410 G411N297-G302 VanDerWaalsContact O-CA 3.24Å; N297-G302 WeakPolarHBondContact O-CA 3.26Å; Y299-G302 PolarHBondContact O-N 2.98Å; T300-G302 PolarHBondContact O-N 2.98Å; T300-G302 VanDerWaalsContact O-N 3.12Å; G302-V304 PolarHBondContact O-N 3.14Å; G302-V304 VanDerWaalsContact O-N 3.12Å; G302-N307 WeakPolarHBondContact CA-OD1 3.31Å; G302-F410 CarbonylContact O-C 3.52Å; G302-G411 PolarHBondContact O-N 3.35Å
303Q98.3Very high97.7Very high1 Ų19.7 Ų9.71%0.0055%0.05CC..  trans-86.552.6176-55.7177.512300110.1W173 N174 T300 Q301 L347 I348 H352 F410W173-Q303 HydrophobicContact CH2-CB 3.78Å; W173-Q303 VanDerWaalsContact CH2-CD 3.47Å; W173-Q303 HydrophobicContact CH2-CG 3.81Å; W173-Q303 HydrophobicContact CZ3-CB 3.82Å; W173-Q303 VanDerWaalsContact CZ3-CD 3.46Å; W173-Q303 HydrophobicContact CZ3-CG 4.07Å; N174-Q303 HydrophobicContact CB-CB 4.49Å; N174-Q303 WeakPolarHBondContact CB-O 3.17Å; N174-Q303 PolarHBondContact ND2-O 2.96Å; T300-Q303 VanDerWaalsContact O-CB 3.28Å; T300-Q303 WeakPolarHBondContact O-CB 3.36Å; T300-Q303 PolarHBondContact O-N 3.1Å; Q301-Q303 HydrophobicContact CB-CG 4.36Å; Q301-Q303 PolarHBondContact O-N 3.35Å; Q303-L347 HydrophobicContact CG-CD2 3.88Å; Q303-I348 VanDerWaalsContact OE1-N 3.13Å; Q303-H352 PolarHBondContact OE1-CD2 3.29Å; Q303-H352 VanDerWaalsContact OE1-CD2 3.31Å; Q303-F410 VanDerWaalsContact C-CZ 3.49Å; Q303-F410 HydrophobicContact CB-CD1 3.84Å; Q303-F410 HydrophobicContact CB-CE1 3.69Å; Q303-F410 HydrophobicContact CB-CZ 4.43Å; Q303-F410 HydrophobicContact CG-CD1 4.24Å; Q303-F410 WeakPolarHBondContact O-CZ 3.34Å
304V97.9Very high97.7Very high2 Ų211.2 Ų11.21%0.0126%0.057CC..  trans-125.7134.9-176.1-171.70000108.9F175 Y299 G302 S306 N307F175-V304 HydrophobicContact CE2-CB 4.41Å; F175-V304 HydrophobicContact CE2-CG1 4.13Å; F175-V304 HydrophobicContact CE2-CG2 4.07Å; F175-V304 HydrophobicContact CZ-CG1 4.36Å; F175-V304 HydrophobicContact CZ-CG2 3.98Å; Y299-V304 HydrophobicContact CD1-CG2 4.07Å; Y299-V304 WeakPolarHBondContact O-CG2 3.05Å; G302-V304 PolarHBondContact O-N 3.14Å; G302-V304 VanDerWaalsContact O-N 3.12Å; V304-S306 VanDerWaalsContact C-N 3.31Å; V304-S306 WeakPolarHBondContact CG1-OG 3.45Å; V304-S306 PolarHBondContact O-N 3.06Å; V304-N307 HydrophobicContact CB-CB 4.23Å; V304-N307 WeakPolarHBondContact O-CB 3.04Å; V304-N307 PolarHBondContact O-N 3.49Å; V304-N307 VanDerWaalsContact O-N 3.14Å
305C97.5Very high97.7Very high20 Ų2016.3 Ų16.314%0.1357%0.073CC..THydrogen-bonded Turntrans-62.9-38.2-179.152.40000112.2N307 L436C305-N307 VanDerWaalsContact C-N 3.25Å; C305-N307 PolarHBondContact O-N 3.09Å; C305-L436 VanDerWaalsContact C-CD2 3.45Å; C305-L436 HydrophobicContact CB-CD2 3.54Å; C305-L436 WeakPolarHBondContact O-CD2 3.18Å
306S97.6Very high97.7Very high1 Ų116.3 Ų16.31%0.0078%0.081CC..THydrogen-bonded Turntrans-77.1-2177.151.70000114.3S276 V304 A308 Y465 N466S276-S306 WeakPolarHBondContact CB-O 3.48Å; S276-S306 PolarHBondContact OG-O 2.8Å; S276-S306 VanDerWaalsContact OG-O 3.07Å; V304-S306 VanDerWaalsContact C-N 3.31Å; V304-S306 WeakPolarHBondContact CG1-OG 3.45Å; V304-S306 PolarHBondContact O-N 3.06Å; S306-A308 PolarHBondContact O-N 2.98Å; S306-Y465 WeakPolarHBondContact O-CE1 2.8Å; S306-Y465 PolarHBondContact O-OH 2.79Å; S306-N466 PolarHBondContact OG-OD1 2.98Å
307N97.3Very high97.8Very high12 Ų1217.2 Ų17.26%0.0649%0.086CC..  trans-50.8127.3-171.6-160.475.5000112.6A296 N297 G302 V304 C305 A309A296-N307 CarbonylContact O-C 3.56Å; A296-N307 WeakPolarHBondContact O-CA 3.19Å; A296-N307 PolarHBondContact O-OD1 3.19Å; N297-N307 WeakPolarHBondContact CA-OD1 3.4Å; N297-N307 PolarHBondContact OD1-ND2 3.42Å; G302-N307 WeakPolarHBondContact CA-OD1 3.31Å; V304-N307 HydrophobicContact CB-CB 4.23Å; V304-N307 WeakPolarHBondContact O-CB 3.04Å; V304-N307 PolarHBondContact O-N 3.49Å; V304-N307 VanDerWaalsContact O-N 3.14Å; C305-N307 VanDerWaalsContact C-N 3.25Å; C305-N307 PolarHBondContact O-N 3.09Å; N307-A309 VanDerWaalsContact C-N 3.27Å; N307-A309 PolarHBondContact O-N 3.03Å
308A97.3Very high97.8Very high0 Ų017.4 Ų17.40%09%0.087CC..  trans-89.560.9-173.100000112.3S276 L278 A296 N297 S306 R310 V311 Y465S276-A308 CarbonylContact O-C 3.5Å; S276-A308 WeakPolarHBondContact O-CA 3.21Å; L278-A308 HydrophobicContact CB-CB 3.64Å; A296-A308 HydrophobicContact CB-CB 3.75Å; A296-A308 PolarHBondContact O-N 3.06Å; N297-A308 PolarHBondContact ND2-O 3.36Å; N297-A308 VanDerWaalsContact ND2-O 3.15Å; N297-A308 PolarHBondContact OD1-O 3.48Å; N297-A308 VanDerWaalsContact OD1-O 3.13Å; S306-A308 PolarHBondContact O-N 2.98Å; A308-R310 PolarHBondContact O-N 3.02Å; A308-R310 VanDerWaalsContact O-N 3.12Å; A308-V311 WeakPolarHBondContact O-CG2 3.42Å; A308-Y465 HydrophobicContact CB-CE1 3.93Å; A308-Y465 HydrophobicContact CB-CE2 3.74Å; A308-Y465 VanDerWaalsContact CB-CZ 3.4Å; A308-Y465 VanDerWaalsContact CB-OH 3.29Å; A308-Y465 WeakPolarHBondContact CB-OH 3.48Å
309A93.2Very high97.8Very high6 Ų620.5 Ų20.55%0.0512%0.115CC..  trans-64.5-17.9-173.800000113.8K275 N297 N307 T415K275-A309 HydrophobicContact CD-CB 4.27Å; N297-A309 VanDerWaalsContact OD1-CA 3.28Å; N297-A309 WeakPolarHBondContact OD1-CA 3.25Å; N297-A309 PolarHBondContact OD1-N 3.21Å; N307-A309 VanDerWaalsContact C-N 3.27Å; N307-A309 PolarHBondContact O-N 3.03Å; A309-T415 PolarHBondContact O-N 3.13Å; A309-T415 PolarHBondContact O-OG1 3.19Å
310R98.4Very high97.9Very high7 Ų722 Ų223%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-9993.3173-60.6-172.6-68.3148.5-1.4109.7K275 S276 P277 L278 A308 F312 V405 L417 R428 S429K275-R310 HydrophobicContact CD-CG 4.46Å; K275-R310 HydrophobicContact CG-CG 4.22Å; K275-R310 PolarHBondContact O-NE 2.94Å; K275-R310 PolarHBondContact O-NH2 3.13Å; S276-R310 PolarHBondContact O-N 2.9Å; P277-R310 CarbonylContact C-O 3.59Å; P277-R310 WeakPolarHBondContact CA-O 3.36Å; L278-R310 PolarHBondContact N-O 3.16Å; A308-R310 PolarHBondContact O-N 3.02Å; A308-R310 VanDerWaalsContact O-N 3.12Å; R310-F312 HydrophobicContact CB-CD2 4.25Å; R310-F312 HydrophobicContact CB-CE2 3.57Å; R310-F312 HydrophobicContact CB-CZ 4.11Å; R310-F312 WeakPolarHBondContact O-CD2 3.44Å; R310-V405 WeakPolarHBondContact CD-O 3.34Å; R310-V405 HydrophobicContact CG-CG1 4.08Å; R310-L417 HydrophobicContact CB-CD1 4.48Å; R310-R428 PolarHBondContact NH1-O 3.18Å; R310-S429 PolarHBondContact NH2-O 3.16Å
311V98.8Very high98Very high0 Ų022 Ų220%013%0.128CC..EExtended strand (participates in β ladder)trans-94.6108.3178.9-179.80000108.5L278 I280 T293 A308 V313 F321 I414 T415 L416 L417L278-V311 HydrophobicContact CB-CG2 4.29Å; L278-V311 HydrophobicContact CD2-CG1 4.48Å; L278-V311 HydrophobicContact CD2-CG2 4.23Å; L278-V311 CarbonylContact O-C 3.54Å; I280-V311 HydrophobicContact CG1-CG1 4.42Å; T293-V311 HydrophobicContact CG2-CG1 4.25Å; T293-V311 HydrophobicContact CG2-CG2 4.02Å; A308-V311 WeakPolarHBondContact O-CG2 3.42Å; V311-V313 HydrophobicContact CG1-CG2 4.04Å; V311-F321 HydrophobicContact CG1-CE1 4.2Å; V311-F321 HydrophobicContact CG1-CZ 4.26Å; V311-I414 HydrophobicContact CB-CG2 4Å; V311-I414 HydrophobicContact CG2-CG2 3.7Å; V311-T415 PolarHBondContact N-O 2.98Å; V311-L416 HydrophobicContact CB-CD2 3.84Å; V311-L416 HydrophobicContact CG1-CD2 3.7Å; V311-L416 WeakPolarHBondContact O-CA 3.39Å; V311-L417 PolarHBondContact O-N 3.39Å
312F98.9Very high98.1Very high0 Ų023.3 Ų23.30%014%0.136CC..EExtended strand (participates in β ladder)trans-97.1124.7177.9-63.8-86.1000110.2P277 L278 I279 I280 R310 L417 F419 I425 R428P277-F312 HydrophobicContact CB-CD2 4.05Å; P277-F312 HydrophobicContact CB-CE2 3.83Å; L278-F312 PolarHBondContact O-N 3.42Å; I279-F312 CarbonylContact C-O 3.55Å; I280-F312 PolarHBondContact N-O 2.94Å; R310-F312 HydrophobicContact CB-CD2 4.25Å; R310-F312 HydrophobicContact CB-CE2 3.57Å; R310-F312 HydrophobicContact CB-CZ 4.11Å; R310-F312 WeakPolarHBondContact O-CD2 3.44Å; F312-L417 CarbonylContact C-O 3.51Å; F312-L417 VanDerWaalsContact CA-O 3.25Å; F312-L417 WeakPolarHBondContact CA-O 3.46Å; F312-L417 HydrophobicContact CD1-CB 3.63Å; F312-L417 HydrophobicContact CD1-CD1 4.38Å; F312-L417 HydrophobicContact CD1-CG 4.44Å; F312-L417 HydrophobicContact CE1-CB 3.82Å; F312-L417 HydrophobicContact CE1-CD1 4.08Å; F312-L417 HydrophobicContact CE1-CD2 4.06Å; F312-L417 HydrophobicContact CE1-CG 4.2Å; F312-L417 HydrophobicContact CZ-CD1 4.36Å; F312-F419 HydrophobicContact CB-CD1 3.88Å; F312-F419 HydrophobicContact CB-CE1 4.18Å; F312-I425 HydrophobicContact CB-CD1 3.32Å; F312-I425 HydrophobicContact CB-CG1 4.27Å; F312-I425 HydrophobicContact CD1-CD1 3.5Å; F312-I425 HydrophobicContact CD2-CD1 3.71Å; F312-I425 HydrophobicContact CE1-CD1 4.17Å; F312-I425 HydrophobicContact CE2-CD1 4.33Å; F312-I425 HydrophobicContact CG-CD1 3.24Å; F312-R428 HydrophobicContact CE1-CB 4.34Å
313V98.8Very high98.1Very high3 Ų329 Ų292%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-121.8132.8-176.5-1700000109.7I280 V311 R315 I317 A318 F321 L416 L417 E418 F419I280-V313 HydrophobicContact CB-CG1 4.25Å; I280-V313 HydrophobicContact CB-CG2 4.42Å; I280-V313 HydrophobicContact CG1-CG2 4.22Å; V311-V313 HydrophobicContact CG1-CG2 4.04Å; V313-R315 PolarHBondContact O-N 2.78Å; V313-I317 HydrophobicContact CG1-CD1 4.26Å; V313-I317 HydrophobicContact CG1-CG1 3.97Å; V313-A318 HydrophobicContact CG1-CB 4.33Å; V313-F321 HydrophobicContact CB-CD1 4.38Å; V313-F321 HydrophobicContact CG1-CB 3.99Å; V313-F321 HydrophobicContact CG1-CD1 3.95Å; V313-F321 HydrophobicContact CG1-CG 3.99Å; V313-F321 HydrophobicContact CG2-CD1 3.55Å; V313-F321 HydrophobicContact CG2-CE1 3.56Å; V313-F321 HydrophobicContact CG2-CG 4.33Å; V313-F321 HydrophobicContact CG2-CZ 4.35Å; V313-L416 HydrophobicContact CG2-CD2 4.23Å; V313-L417 PolarHBondContact N-O 2.86Å; V313-E418 VanDerWaalsContact O-CA 3.29Å; V313-E418 WeakPolarHBondContact O-CA 3.09Å; V313-F419 VanDerWaalsContact C-CD1 3.43Å; V313-F419 WeakPolarHBondContact O-CD1 3.46Å; V313-F419 PolarHBondContact O-N 2.82Å; V313-F419 VanDerWaalsContact O-N 3.15Å
314H98.8Very high98.1Very high33 Ų3332.2 Ų32.215%0.15318%0.176CC..EExtended strand (participates in β ladder)trans-63133.5178.2-172.9-87.3000110.2I280 S282 S316 I317 A318 F419 N420I280-H314 PolarHBondContact O-N 3.42Å; S282-H314 WeakPolarHBondContact CB-ND1 3.44Å; H314-S316 PolarHBondContact CE1-OG 3.31Å; H314-S316 PolarHBondContact ND1-N 2.96Å; H314-S316 PolarHBondContact ND1-OG 2.84Å; H314-S316 PolarHBondContact O-N 2.72Å; H314-I317 HydrophobicContact CB-CG1 4.21Å; H314-I317 VanDerWaalsContact O-CG1 3.27Å; H314-I317 WeakPolarHBondContact O-CG1 3.12Å; H314-I317 PolarHBondContact O-N 2.88Å; H314-A318 PolarHBondContact O-N 3.36Å; H314-A318 VanDerWaalsContact O-N 3.12Å; H314-F419 HydrophobicContact CB-CE1 4.05Å; H314-F419 HydrophobicContact CB-CE2 4.19Å; H314-F419 HydrophobicContact CB-CZ 3.77Å; H314-F419 AromaticContact CD2-CE2 3.76Å; H314-N420 PolarHBondContact NE2-O 3.37Å
315R98.6Very high98.1Very high143 Ų14332.1 Ų32.154%0.5418%0.176SC..G310 helixtrans-51.4-38.4-172.3175159.3-74.3-167.9-4.6114V313 I317 A318 E418 F419 N420V313-R315 PolarHBondContact O-N 2.78Å; R315-I317 PolarHBondContact O-N 3.5Å; R315-I317 VanDerWaalsContact O-N 3.16Å; R315-A318 PolarHBondContact O-N 2.99Å; R315-E418 IonicContact CZ-OE2 2.88Å; R315-E418 VanDerWaalsContact CZ-OE2 3.3Å; R315-E418 IonicContact NE-OE2 2.89Å; R315-E418 PolarHBondContact NE-OE2 3.31Å; R315-E418 IonicContact NH2-OE2 3.86Å; R315-E418 PolarHBondContact NH2-OE2 3Å; R315-F419 PolarHBondContact N-O 3.3Å; R315-N420 WeakPolarHBondContact CD-OD1 3.49Å
316S98.6Very high98.2Very high79 Ų7932.8 Ų32.855%0.55218%0.177SC*.G310 helixtrans-62.9-20.1-179.867.90000114.7H314H314-S316 PolarHBondContact CE1-OG 3.31Å; H314-S316 PolarHBondContact ND1-N 2.96Å; H314-S316 PolarHBondContact ND1-OG 2.84Å; H314-S316 PolarHBondContact O-N 2.72Å
317I98.6Very high98.2Very high19 Ų1937.2 Ų37.210%0.09720%0.198CC..G310 helixtrans-122.83.1-178.561.1163000113.1I280 M281 L286 V313 H314 R315 A319 P320 F321I280-I317 HydrophobicContact CG2-CD1 3.84Å; M281-I317 WeakPolarHBondContact O-CD1 3.16Å; L286-I317 HydrophobicContact CD2-CB 4.23Å; L286-I317 HydrophobicContact CD2-CD1 3.92Å; V313-I317 HydrophobicContact CG1-CD1 4.26Å; V313-I317 HydrophobicContact CG1-CG1 3.97Å; H314-I317 HydrophobicContact CB-CG1 4.21Å; H314-I317 VanDerWaalsContact O-CG1 3.27Å; H314-I317 WeakPolarHBondContact O-CG1 3.12Å; H314-I317 PolarHBondContact O-N 2.88Å; R315-I317 PolarHBondContact O-N 3.5Å; R315-I317 VanDerWaalsContact O-N 3.16Å; I317-A319 PolarHBondContact O-N 2.86Å; I317-P320 HydrophobicContact CB-CG 4.47Å; I317-P320 VanDerWaalsContact O-CD 3.25Å; I317-P320 WeakPolarHBondContact O-CD 3.46Å; I317-P320 VanDerWaalsContact O-CG 3.32Å; I317-P320 WeakPolarHBondContact O-CG 3.4Å; I317-F321 WeakPolarHBondContact O-CB 3.42Å; I317-F321 PolarHBondContact O-N 3.44Å
318A98.6Very high98.3Very high4 Ų438.7 Ų38.73%0.03321%0.209CC..Hα-helixtrans-57.9-46.2-174.800000112.8V313 H314 R315 T322 E418V313-A318 HydrophobicContact CG1-CB 4.33Å; H314-A318 PolarHBondContact O-N 3.36Å; H314-A318 VanDerWaalsContact O-N 3.12Å; R315-A318 PolarHBondContact O-N 2.99Å; A318-T322 VanDerWaalsContact O-CB 3.23Å; A318-T322 WeakPolarHBondContact O-CB 3.29Å; A318-T322 PolarHBondContact O-N 2.72Å; A318-T322 PolarHBondContact O-OG1 2.94Å; A318-E418 HydrophobicContact CB-CG 3.91Å
319A98.4Very high98.3Very high75 Ų7538.7 Ų38.762%0.6221%0.209SC*.Hα-helixtrans-62.9-56.8178.500000113.4I317 F321 T322 Q323I317-A319 PolarHBondContact O-N 2.86Å; A319-F321 VanDerWaalsContact C-N 3.33Å; A319-F321 PolarHBondContact O-N 2.7Å; A319-T322 PolarHBondContact O-N 2.71Å; A319-Q323 PolarHBondContact O-N 3.3Å
320P98.5Very high98.5Very high56 Ų5644.1 Ų44.136%0.36423%0.232SC..Hα-helixtrans-64.3-34.9179.823.5-33.7000113.1L286 I317 K324L286-P320 HydrophobicContact CD1-CB 4.15Å; L286-P320 HydrophobicContact CD1-CG 4.42Å; I317-P320 HydrophobicContact CB-CG 4.47Å; I317-P320 VanDerWaalsContact O-CD 3.25Å; I317-P320 WeakPolarHBondContact O-CD 3.46Å; I317-P320 VanDerWaalsContact O-CG 3.32Å; I317-P320 WeakPolarHBondContact O-CG 3.4Å; P320-K324 PolarHBondContact O-N 3.13Å
321F98.8Very high98.4Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-62.5-49.9173.4174.9-93.7000111.6I280 L286 A289 V290 T293 V311 V313 I317 A319 Q323 K324 L325 L416I280-F321 HydrophobicContact CG1-CE2 4.09Å; I280-F321 HydrophobicContact CG1-CZ 4.11Å; I280-F321 HydrophobicContact CG2-CD2 4.25Å; I280-F321 HydrophobicContact CG2-CE2 4.32Å; L286-F321 HydrophobicContact CD2-CB 4.14Å; L286-F321 HydrophobicContact CD2-CD2 4.39Å; A289-F321 HydrophobicContact CB-CD2 4.33Å; A289-F321 HydrophobicContact CB-CE2 3.96Å; V290-F321 HydrophobicContact CG2-CD2 3.89Å; V290-F321 HydrophobicContact CG2-CE2 3.77Å; T293-F321 HydrophobicContact CG2-CZ 4.24Å; T293-F321 WeakPolarHBondContact OG1-CZ 3.42Å; V311-F321 HydrophobicContact CG1-CE1 4.2Å; V311-F321 HydrophobicContact CG1-CZ 4.26Å; V313-F321 HydrophobicContact CB-CD1 4.38Å; V313-F321 HydrophobicContact CG1-CB 3.99Å; V313-F321 HydrophobicContact CG1-CD1 3.95Å; V313-F321 HydrophobicContact CG1-CG 3.99Å; V313-F321 HydrophobicContact CG2-CD1 3.55Å; V313-F321 HydrophobicContact CG2-CE1 3.56Å; V313-F321 HydrophobicContact CG2-CG 4.33Å; V313-F321 HydrophobicContact CG2-CZ 4.35Å; I317-F321 WeakPolarHBondContact O-CB 3.42Å; I317-F321 PolarHBondContact O-N 3.44Å; A319-F321 VanDerWaalsContact C-N 3.33Å; A319-F321 PolarHBondContact O-N 2.7Å; F321-Q323 VanDerWaalsContact C-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.12Å; F321-K324 PolarHBondContact O-N 2.65Å; F321-L325 HydrophobicContact CE1-CB 4.47Å; F321-L325 HydrophobicContact CE1-CD2 3.98Å; F321-L325 HydrophobicContact CZ-CD2 4.41Å; F321-L325 WeakPolarHBondContact O-CB 3.29Å; F321-L325 PolarHBondContact O-N 2.6Å; F321-L416 HydrophobicContact CE1-CD2 4.02Å
322T98.6Very high98.4Very high29 Ų2952.5 Ų52.518%0.17827%0.272CS..Hα-helixtrans-60.9-41.5-178.5-60.60000111.2A318 A319 L325 I326 L371 L416A318-T322 VanDerWaalsContact O-CB 3.23Å; A318-T322 WeakPolarHBondContact O-CB 3.29Å; A318-T322 PolarHBondContact O-N 2.72Å; A318-T322 PolarHBondContact O-OG1 2.94Å; A319-T322 PolarHBondContact O-N 2.71Å; T322-L325 PolarHBondContact O-N 2.85Å; T322-I326 HydrophobicContact CG2-CD1 4.16Å; T322-I326 VanDerWaalsContact O-CG1 3.29Å; T322-I326 WeakPolarHBondContact O-CG1 3.49Å; T322-I326 PolarHBondContact O-N 2.93Å; T322-L371 HydrophobicContact CG2-CD2 3.57Å; T322-L416 HydrophobicContact CG2-CD1 4.1Å
323Q98.5Very high98.2Very high119 Ų11956.2 Ų56.256%0.55629%0.291SS*.Hα-helixtrans-59.2-52.5175.6-177.9179.1-5.600111.8A319 F321 L325 I326 E327A319-Q323 PolarHBondContact O-N 3.3Å; F321-Q323 VanDerWaalsContact C-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.12Å; Q323-L325 VanDerWaalsContact C-N 3.29Å; Q323-L325 PolarHBondContact O-N 2.89Å; Q323-I326 PolarHBondContact O-N 2.73Å; Q323-E327 PolarHBondContact NE2-OE1 2.85Å; Q323-E327 WeakPolarHBondContact O-CG 3.29Å; Q323-E327 PolarHBondContact O-N 3.42Å
324K98.6Very high98.1Very high69 Ų6957.1 Ų57.130%0.330%0.297SS..Hα-helixtrans-61.9-36.4178.7-78.1176.7166.8-78.40112.7L286 D287 V290 P320 F321 E327 S328L286-K324 HydrophobicContact CB-CD 4.13Å; D287-K324 IonicContact OD1-NZ 3.36Å; D287-K324 PolarHBondContact OD1-NZ 3.06Å; V290-K324 HydrophobicContact CG2-CB 3.9Å; P320-K324 PolarHBondContact O-N 3.13Å; F321-K324 PolarHBondContact O-N 2.65Å; K324-E327 PolarHBondContact O-N 2.86Å; K324-S328 WeakPolarHBondContact O-CB 3.21Å; K324-S328 PolarHBondContact O-N 2.91Å; K324-S328 PolarHBondContact O-OG 3.45Å
325L98.7Very high98Very high0 Ų055.8 Ų55.80%029%0.292CS..Hα-helixtrans-62.5-48.2175.7179.462.8000110.9V290 T293 L294 F321 T322 Q323 E327 S328 V329 I394 I414 L416V290-L325 HydrophobicContact CG1-CD1 4.37Å; V290-L325 HydrophobicContact CG2-CB 4.45Å; T293-L325 HydrophobicContact CG2-CD1 3.82Å; T293-L325 HydrophobicContact CG2-CD2 4.19Å; L294-L325 HydrophobicContact CD2-CD1 4.02Å; F321-L325 HydrophobicContact CE1-CB 4.47Å; F321-L325 HydrophobicContact CE1-CD2 3.98Å; F321-L325 HydrophobicContact CZ-CD2 4.41Å; F321-L325 WeakPolarHBondContact O-CB 3.29Å; F321-L325 PolarHBondContact O-N 2.6Å; T322-L325 PolarHBondContact O-N 2.85Å; Q323-L325 VanDerWaalsContact C-N 3.29Å; Q323-L325 PolarHBondContact O-N 2.89Å; L325-E327 VanDerWaalsContact C-N 3.32Å; L325-E327 PolarHBondContact O-N 3.1Å; L325-S328 PolarHBondContact O-N 3.15Å; L325-V329 HydrophobicContact CD1-CG2 3.96Å; L325-V329 HydrophobicContact CG-CG2 4.3Å; L325-V329 WeakPolarHBondContact O-CB 3.24Å; L325-V329 VanDerWaalsContact O-CG2 3.31Å; L325-V329 WeakPolarHBondContact O-CG2 3.4Å; L325-V329 PolarHBondContact O-N 3.44Å; L325-I394 HydrophobicContact CD2-CD1 4.27Å; L325-I394 HydrophobicContact CG-CD1 4.12Å; L325-I414 HydrophobicContact CD1-CD1 4.4Å; L325-I414 HydrophobicContact CD2-CD1 4.16Å; L325-L416 HydrophobicContact CD2-CD1 4.17Å; L325-L416 HydrophobicContact CD2-CD2 4.09Å
326I98.5Very high97.8Very high33 Ų3349.3 Ų49.317%0.16927%0.268CS..Hα-helixtrans-58.6-45.6176.6-66.5164.3000110.9T322 Q323 S328 V329 K330 L371 I394T322-I326 HydrophobicContact CG2-CD1 4.16Å; T322-I326 VanDerWaalsContact O-CG1 3.29Å; T322-I326 WeakPolarHBondContact O-CG1 3.49Å; T322-I326 PolarHBondContact O-N 2.93Å; Q323-I326 PolarHBondContact O-N 2.73Å; I326-S328 VanDerWaalsContact C-N 3.28Å; I326-S328 PolarHBondContact O-N 2.84Å; I326-V329 PolarHBondContact O-N 3.41Å; I326-K330 HydrophobicContact CG2-CD 4.13Å; I326-K330 VanDerWaalsContact O-CG 3.32Å; I326-K330 WeakPolarHBondContact O-CG 3.34Å; I326-K330 PolarHBondContact O-N 2.96Å; I326-L371 HydrophobicContact CD1-CD1 4.29Å; I326-L371 HydrophobicContact CD1-CD2 3.55Å; I326-L371 HydrophobicContact CD1-CG 3.9Å; I326-L371 HydrophobicContact CG1-CD2 3.94Å; I326-L371 HydrophobicContact CG1-CG 4.41Å; I326-I394 HydrophobicContact CG1-CD1 4.2Å
327E98.4Very high97.7Very high95 Ų9545.6 Ų45.644%0.44424%0.242SC..Hα-helixtrans-58.7-41.7179.6-73.1170-172.400111.7Q323 K324 L325Q323-E327 PolarHBondContact NE2-OE1 2.85Å; Q323-E327 WeakPolarHBondContact O-CG 3.29Å; Q323-E327 PolarHBondContact O-N 3.42Å; K324-E327 PolarHBondContact O-N 2.86Å; L325-E327 VanDerWaalsContact C-N 3.32Å; L325-E327 PolarHBondContact O-N 3.1Å
328S98.3Very high97.5Very high42 Ų4245 Ų4529%0.29424%0.239SC..Hα-helixtrans-74.8-39.8179.1-59.70000112.5V290 K324 L325 I326 K330 Q331V290-S328 WeakPolarHBondContact CG1-OG 3.36Å; K324-S328 WeakPolarHBondContact O-CB 3.21Å; K324-S328 PolarHBondContact O-N 2.91Å; K324-S328 PolarHBondContact O-OG 3.45Å; L325-S328 PolarHBondContact O-N 3.15Å; I326-S328 VanDerWaalsContact C-N 3.28Å; I326-S328 PolarHBondContact O-N 2.84Å; S328-K330 VanDerWaalsContact C-N 3.29Å; S328-K330 PolarHBondContact O-N 3.33Å; S328-Q331 WeakPolarHBondContact O-CB 3.33Å; S328-Q331 PolarHBondContact O-N 2.93Å
329V98.1Very high97.3Very high0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-63-35.2176.9167.70000111.8L294 F298 L325 I326 Q331 I332 Y372 P392 I394L294-V329 HydrophobicContact CD2-CG2 3.55Å; F298-V329 HydrophobicContact CD2-CG2 4.38Å; F298-V329 HydrophobicContact CE2-CG2 3.48Å; F298-V329 VanDerWaalsContact CE2-CG2 3.48Å; F298-V329 HydrophobicContact CZ-CG2 3.99Å; L325-V329 HydrophobicContact CD1-CG2 3.96Å; L325-V329 HydrophobicContact CG-CG2 4.3Å; L325-V329 WeakPolarHBondContact O-CB 3.24Å; L325-V329 VanDerWaalsContact O-CG2 3.31Å; L325-V329 WeakPolarHBondContact O-CG2 3.4Å; L325-V329 PolarHBondContact O-N 3.44Å; I326-V329 PolarHBondContact O-N 3.41Å; V329-Q331 PolarHBondContact O-N 2.63Å; V329-Q331 VanDerWaalsContact O-N 3.15Å; V329-I332 HydrophobicContact CG1-CD1 4.47Å; V329-I332 HydrophobicContact CG2-CD1 4.36Å; V329-I332 WeakPolarHBondContact O-CB 3.41Å; V329-I332 PolarHBondContact O-N 3.34Å; V329-Y372 HydrophobicContact CG1-CD1 3.55Å; V329-Y372 HydrophobicContact CG1-CE1 3.48Å; V329-Y372 VanDerWaalsContact CG1-CE1 3.48Å; V329-P392 HydrophobicContact CG1-CB 3.5Å; V329-P392 HydrophobicContact CG1-CG 4.16Å; V329-I394 HydrophobicContact CB-CD1 4.24Å; V329-I394 HydrophobicContact CG1-CD1 4.31Å; V329-I394 HydrophobicContact CG2-CD1 4.03Å
330K97.2Very high97.1Very high120 Ų12046 Ų4652%0.52224%0.237SC..THydrogen-bonded Turntrans-60.9-20.1173.4-77170.8178175.30114I326 S328 Y372I326-K330 HydrophobicContact CG2-CD 4.13Å; I326-K330 VanDerWaalsContact O-CG 3.32Å; I326-K330 WeakPolarHBondContact O-CG 3.34Å; I326-K330 PolarHBondContact O-N 2.96Å; S328-K330 VanDerWaalsContact C-N 3.29Å; S328-K330 PolarHBondContact O-N 3.33Å; K330-Y372 HydrophobicContact CD-CE2 4.39Å; K330-Y372 HydrophobicContact CG-CD2 4.33Å; K330-Y372 HydrophobicContact CG-CE2 3.51Å
331Q96.9Very high96.9Very high155 Ų15550.4 Ų50.472%0.72425%0.251SS*.THydrogen-bonded Turntrans-87.9-9.3177.7-54.7-56-41.800113S328 V329 L333S328-Q331 WeakPolarHBondContact O-CB 3.33Å; S328-Q331 PolarHBondContact O-N 2.93Å; V329-Q331 PolarHBondContact O-N 2.63Å; V329-Q331 VanDerWaalsContact O-N 3.15Å; Q331-L333 PolarHBondContact O-N 3.36Å; Q331-L333 VanDerWaalsContact O-N 3.09Å
332I97.2Very high96.7Very high28 Ų2850.5 Ų50.514%0.14425%0.251CS..  trans-68110.6177.2-63.4176.7000108.6L294 F298 V329 V334 M344 P392L294-I332 HydrophobicContact CD2-CD1 4.19Å; F298-I332 HydrophobicContact CB-CD1 4.02Å; F298-I332 HydrophobicContact CD2-CD1 3.41Å; F298-I332 VanDerWaalsContact CD2-CD1 3.41Å; F298-I332 HydrophobicContact CE2-CD1 4Å; F298-I332 HydrophobicContact CG-CD1 3.73Å; V329-I332 HydrophobicContact CG1-CD1 4.47Å; V329-I332 HydrophobicContact CG2-CD1 4.36Å; V329-I332 WeakPolarHBondContact O-CB 3.41Å; V329-I332 PolarHBondContact O-N 3.34Å; I332-V334 HydrophobicContact CG2-CG2 4.49Å; I332-V334 PolarHBondContact O-N 2.93Å; I332-M344 HydrophobicContact CG2-CB 3.79Å; I332-P392 HydrophobicContact CB-CG 4.03Å; I332-P392 HydrophobicContact CD1-CB 4.39Å; I332-P392 HydrophobicContact CD1-CG 3.94Å; I332-P392 HydrophobicContact CG2-CG 3.87Å
333L95.8Very high96.6Very high79 Ų7951.5 Ų51.541%0.41426%0.259SS..  trans-81113.7174-176.463.4000109.7Q331 K341 V342 S343 M344Q331-L333 PolarHBondContact O-N 3.36Å; Q331-L333 VanDerWaalsContact O-N 3.09Å; L333-K341 HydrophobicContact CD2-CB 3.83Å; L333-V342 HydrophobicContact CD2-CG2 3.96Å; L333-V342 HydrophobicContact CG-CG2 4.02Å; L333-S343 PolarHBondContact O-N 3.31Å; L333-M344 PolarHBondContact O-N 3.48Å
334V96.8Very high96.5Very high21 Ų2145.9 Ų45.913%0.12723%0.233CC..BIsolated β-bridgetrans-89.6132.5171.3-170.10000109.6I332 M344 P377 F389I332-V334 HydrophobicContact CG2-CG2 4.49Å; I332-V334 PolarHBondContact O-N 2.93Å; V334-M344 VanDerWaalsContact CA-O 3.29Å; V334-M344 WeakPolarHBondContact CA-O 3.44Å; V334-M344 HydrophobicContact CG1-CE 4.25Å; V334-M344 HydrophobicContact CG2-CB 4.35Å; V334-M344 HydrophobicContact CG2-CE 3.57Å; V334-P377 HydrophobicContact CB-CG 4.42Å; V334-P377 HydrophobicContact CG1-CG 3.92Å; V334-F389 HydrophobicContact CG1-CD1 3.84Å
335G95.5Very high96.5Very high6 Ų642.7 Ų42.76%0.06222%0.22CC..SBendtrans167.3-151176.800000114.7P337 M344 F389G335-P337 WeakPolarHBondContact O-CD 3.31Å; G335-M344 PolarHBondContact N-O 2.81Å; G335-M344 VanDerWaalsContact N-O 3.14Å; G335-F389 WeakPolarHBondContact O-CE1 3.48Å
336D94.9Very high96.4Very high7 Ų742.7 Ų42.74%0.03722%0.22CC..  trans-60.9119.8-178.1-170.6-38.2000110.7F6 R10 F338 N339 V342 L384F6-D336 HydrophobicContact CD2-CB 4.04Å; F6-D336 HydrophobicContact CE2-CB 3.59Å; F6-D336 HydrophobicContact CZ-CB 4.43Å; R10-D336 IonicContact CZ-OD1 2.79Å; R10-D336 IonicContact CZ-OD2 3.01Å; R10-D336 IonicContact NE-OD1 3.87Å; R10-D336 IonicContact NE-OD2 2.69Å; R10-D336 PolarHBondContact NE-OD2 3Å; R10-D336 VanDerWaalsContact NE-OD2 3.13Å; R10-D336 VanDerWaalsContact NH2-CG 3.29Å; R10-D336 IonicContact NH2-OD1 3.04Å; R10-D336 PolarHBondContact NH2-OD1 2.79Å; R10-D336 IonicContact NH2-OD2 3.56Å; R10-D336 PolarHBondContact NH2-OD2 3.35Å; D336-F338 PolarHBondContact O-N 3.4Å; D336-F338 VanDerWaalsContact O-N 3.13Å; D336-F338 WeakPolarHBondContact OD1-CB 3.31Å; D336-F338 PolarHBondContact OD1-N 2.89Å; D336-N339 VanDerWaalsContact O-CB 3.3Å; D336-N339 WeakPolarHBondContact O-CB 3.17Å; D336-N339 PolarHBondContact O-N 2.88Å; D336-V342 WeakPolarHBondContact O-CB 3.49Å; D336-V342 WeakPolarHBondContact O-CG2 3.31Å; D336-L384 HydrophobicContact CB-CD1 4.24Å; D336-L384 HydrophobicContact CB-CD2 4Å
337P96.3Very high96.5Very high1 Ų141.2 Ų41.21%0.00621%0.212CC..THydrogen-bonded Turntrans-64.2-15.5-178.226-36.9000115.1T111 K116 L118 G335 N339T111-P337 HydrophobicContact CG2-CB 3.74Å; T111-P337 HydrophobicContact CG2-CG 3.85Å; K116-P337 WeakPolarHBondContact O-CB 3.48Å; L118-P337 PolarHBondContact N-O 2.96Å; G335-P337 WeakPolarHBondContact O-CD 3.31Å; P337-N339 VanDerWaalsContact C-N 3.33Å
338F95.6Very high96.5Very high7 Ų737 Ų373%0.03119%0.193CC..THydrogen-bonded Turntrans-79.7-14.6171.8-77.7-96.1000112.9F6 C9 R10 A13 E108 T111 L112 L118 D336 P340F6-F338 HydrophobicContact CB-CB 4.48Å; F6-F338 WeakPolarHBondContact CB-O 3.36Å; C9-F338 HydrophobicContact CB-CD1 4.11Å; R10-F338 HydrophobicContact CB-CB 4.37Å; R10-F338 HydrophobicContact CB-CD1 4.24Å; R10-F338 HydrophobicContact CB-CD2 3.8Å; R10-F338 HydrophobicContact CB-CE2 4.08Å; R10-F338 HydrophobicContact CB-CG 3.88Å; R10-F338 HydrophobicContact CB-CZ 4.43Å; R10-F338 HydrophobicContact CG-CD2 4.11Å; R10-F338 HydrophobicContact CG-CE2 4.05Å; A13-F338 HydrophobicContact CB-CE1 3.72Å; A13-F338 HydrophobicContact CB-CZ 3.75Å; E108-F338 HydrophobicContact CG-CE1 4.2Å; T111-F338 HydrophobicContact CG2-CD2 3.88Å; T111-F338 HydrophobicContact CG2-CE2 3.58Å; T111-F338 HydrophobicContact CG2-CZ 4.05Å; L112-F338 HydrophobicContact CD2-CE2 3.89Å; L112-F338 HydrophobicContact CD2-CZ 4Å; L112-F338 HydrophobicContact CG-CE2 4.27Å; L112-F338 HydrophobicContact CG-CZ 4.03Å; L118-F338 HydrophobicContact CD2-CD1 4.21Å; D336-F338 PolarHBondContact O-N 3.4Å; D336-F338 VanDerWaalsContact O-N 3.13Å; D336-F338 WeakPolarHBondContact OD1-CB 3.31Å; D336-F338 PolarHBondContact OD1-N 2.89Å; F338-P340 WeakPolarHBondContact O-CD 3.49Å
339N94.5Very high96.4Very high29 Ų2935.5 Ų35.516%0.15518%0.182CC..SBendtrans-74.9118.8174.5-179.7-10.2000109.5F6 D336 P337 K341 V342F6-N339 HydrophobicContact CB-CB 4.29Å; F6-N339 HydrophobicContact CD1-CB 3.82Å; F6-N339 HydrophobicContact CD2-CB 4.02Å; F6-N339 HydrophobicContact CE1-CB 4.1Å; F6-N339 HydrophobicContact CE2-CB 4.34Å; F6-N339 HydrophobicContact CG-CB 3.78Å; F6-N339 HydrophobicContact CZ-CB 4.38Å; D336-N339 VanDerWaalsContact O-CB 3.3Å; D336-N339 WeakPolarHBondContact O-CB 3.17Å; D336-N339 PolarHBondContact O-N 2.88Å; P337-N339 VanDerWaalsContact C-N 3.33Å; N339-K341 PolarHBondContact O-N 2.91Å; N339-K341 PolarHBondContact OD1-N 2.95Å; N339-V342 HydrophobicContact CB-CB 4.35Å; N339-V342 HydrophobicContact CB-CG2 3.78Å; N339-V342 WeakPolarHBondContact O-CB 3.41Å; N339-V342 PolarHBondContact O-N 2.76Å
340P93.7Very high96.4Very high70 Ų7036.9 Ų36.946%0.45519%0.191SC..THydrogen-bonded Turntrans-65.4-11.2-176.228.5-38.4000114.2M1 F338M1-P340 HydrophobicContact CE-CB 4.46Å; M1-P340 HydrophobicContact CE-CG 3.8Å; M1-P340 HydrophobicContact SD-CG 3.79Å; F338-P340 WeakPolarHBondContact O-CD 3.49Å
341K93.5Very high96.5Very high148 Ų14837.2 Ų37.264%0.64319%0.194SC*.THydrogen-bonded Turntrans-88.2-13.9174.1-62.4-174.3177.5-175.70113.4L333 N339L333-K341 HydrophobicContact CD2-CB 3.83Å; N339-K341 PolarHBondContact O-N 2.91Å; N339-K341 PolarHBondContact OD1-N 2.95Å
342V95.3Very high96.5Very high2 Ų230.7 Ų30.71%0.01216%0.164CC..  trans-75.7127.2-178.4164.90000109.2W119 L333 D336 N339 M344W119-V342 PolarHBondContact NE1-O 3.15Å; L333-V342 HydrophobicContact CD2-CG2 3.96Å; L333-V342 HydrophobicContact CG-CG2 4.02Å; D336-V342 WeakPolarHBondContact O-CB 3.49Å; D336-V342 WeakPolarHBondContact O-CG2 3.31Å; N339-V342 HydrophobicContact CB-CB 4.35Å; N339-V342 HydrophobicContact CB-CG2 3.78Å; N339-V342 WeakPolarHBondContact O-CB 3.41Å; N339-V342 PolarHBondContact O-N 2.76Å; V342-M344 VanDerWaalsContact CG1-O 3.23Å; V342-M344 WeakPolarHBondContact CG1-O 3.43Å
343S96.1Very high96.6Very high50 Ų5029.6 Ų29.635%0.3516%0.158SC..SBendtrans-98.9-16.8176.2-51.60000111.8L333L333-S343 PolarHBondContact O-N 3.31Å
344M97.9Very high96.7Very high1 Ų130.3 Ų30.31%0.00516%0.16CC..BIsolated β-bridgetrans-142.1117.9-179.1-164.916980.200111F298 Q301 I332 L333 V334 G335 V342 I390 P392 P412F298-M344 HydrophobicContact CB-SD 4.49Å; F298-M344 HydrophobicContact CD1-SD 4.41Å; Q301-M344 HydrophobicContact CB-CG 4.05Å; Q301-M344 HydrophobicContact CB-SD 4.46Å; Q301-M344 HydrophobicContact CG-CG 3.57Å; I332-M344 HydrophobicContact CG2-CB 3.79Å; L333-M344 PolarHBondContact O-N 3.48Å; V334-M344 VanDerWaalsContact CA-O 3.29Å; V334-M344 WeakPolarHBondContact CA-O 3.44Å; V334-M344 HydrophobicContact CG1-CE 4.25Å; V334-M344 HydrophobicContact CG2-CB 4.35Å; V334-M344 HydrophobicContact CG2-CE 3.57Å; G335-M344 PolarHBondContact N-O 2.81Å; G335-M344 VanDerWaalsContact N-O 3.14Å; V342-M344 VanDerWaalsContact CG1-O 3.23Å; V342-M344 WeakPolarHBondContact CG1-O 3.43Å; M344-I390 WeakPolarHBondContact CE-O 3.07Å; M344-P392 HydrophobicContact CE-CG 3.74Å; M344-P392 HydrophobicContact SD-CG 4.24Å; M344-P412 HydrophobicContact CE-CB 4.17Å; M344-P412 HydrophobicContact CE-CG 4.06Å; M344-P412 HydrophobicContact SD-CB 3.58Å; M344-P412 VanDerWaalsContact SD-CB 3.58Å; M344-P412 HydrophobicContact SD-CG 4Å
345G97.4Very high96.8Very high2 Ų233.5 Ų33.52%0.02117%0.172CC..  trans-88.7-149.417900000113.5G115 Q301G115-G345 VanDerWaalsContact O-CA 3.31Å; G115-G345 WeakPolarHBondContact O-CA 3.29Å; Q301-G345 VanDerWaalsContact CG-O 3.32Å; Q301-G345 WeakPolarHBondContact CG-O 3.33Å
346A97.7Very high96.9Very high0 Ų033.2 Ų33.20%017%0.169CC..  trans-89152.2-176.400000112.2P49 G115 N388 F389P49-A346 HydrophobicContact CB-CB 4.11Å; P49-A346 WeakPolarHBondContact O-CB 3.29Å; G115-A346 PolarHBondContact O-N 3.01Å; A346-N388 HydrophobicContact CB-CB 4.16Å; A346-F389 HydrophobicContact CB-CD1 4.2Å; A346-F389 HydrophobicContact CB-CD2 4.46Å; A346-F389 HydrophobicContact CB-CE1 3.68Å; A346-F389 HydrophobicContact CB-CE2 3.94Å; A346-F389 HydrophobicContact CB-CZ 3.54Å
347L98.6Very high97.1Very high2 Ų234.6 Ų34.61%0.0117%0.174CC..  trans-73.8153.4162.4-60.5-178.3000110.2P49 Q301 Q303 S349 Q353 V356 N388 I390P49-L347 WeakPolarHBondContact CB-O 3.41Å; Q301-L347 HydrophobicContact CB-CD2 3.81Å; Q303-L347 HydrophobicContact CG-CD2 3.88Å; L347-S349 PolarHBondContact O-N 2.87Å; L347-S349 VanDerWaalsContact O-N 3.09Å; L347-Q353 HydrophobicContact CD1-CB 4.09Å; L347-Q353 HydrophobicContact CD1-CG 4.24Å; L347-V356 HydrophobicContact CD1-CB 4.49Å; L347-V356 HydrophobicContact CD1-CG2 4.06Å; L347-N388 VanDerWaalsContact CB-O 3.27Å; L347-N388 WeakPolarHBondContact CB-O 3.39Å; L347-N388 PolarHBondContact N-O 2.86Å; L347-N388 PolarHBondContact O-ND2 3.47Å; L347-N388 VanDerWaalsContact O-ND2 3.09Å; L347-I390 HydrophobicContact CD1-CG2 3.78Å; L347-I390 HydrophobicContact CG-CG2 4.23Å
348I98.5Very high97.2Very high7 Ų738.7 Ų38.74%0.03620%0.195CC..SBendtrans-57.8-30.5-169.9-166.165.7000114.4P49 D113 W173 L201 T202 Q303 H352P49-I348 HydrophobicContact CG-CD1 3.92Å; D113-I348 WeakPolarHBondContact O-CD1 3.37Å; W173-I348 HydrophobicContact CD2-CB 4.18Å; W173-I348 HydrophobicContact CD2-CD1 4.43Å; W173-I348 HydrophobicContact CD2-CG1 3.91Å; W173-I348 HydrophobicContact CD2-CG2 4.14Å; W173-I348 HydrophobicContact CE3-CB 3.72Å; W173-I348 HydrophobicContact CE3-CD1 3.91Å; W173-I348 HydrophobicContact CE3-CG1 3.7Å; W173-I348 HydrophobicContact CE3-CG2 4.06Å; W173-I348 HydrophobicContact CG-CG1 4.3Å; W173-I348 HydrophobicContact CH2-CB 3.97Å; W173-I348 HydrophobicContact CH2-CG2 3.62Å; W173-I348 HydrophobicContact CZ2-CB 4.41Å; W173-I348 HydrophobicContact CZ2-CG2 3.71Å; W173-I348 HydrophobicContact CZ3-CB 3.63Å; W173-I348 HydrophobicContact CZ3-CG1 4.16Å; W173-I348 HydrophobicContact CZ3-CG2 3.83Å; L201-I348 HydrophobicContact CB-CD1 4.43Å; L201-I348 HydrophobicContact CB-CG1 4.28Å; L201-I348 HydrophobicContact CD1-CG1 3.74Å; T202-I348 HydrophobicContact CG2-CD1 3.86Å; Q303-I348 VanDerWaalsContact OE1-N 3.13Å; I348-H352 HydrophobicContact CG2-CB 3.78Å
349S98Very high97.3Very high11 Ų1139.5 Ų39.58%0.07720%0.199CC..  trans-157.6161.3179.889.10000113.2L347 E351 H352 Q353 N388L347-S349 PolarHBondContact O-N 2.87Å; L347-S349 VanDerWaalsContact O-N 3.09Å; S349-E351 VanDerWaalsContact C-N 3.3Å; S349-E351 WeakPolarHBondContact CB-OE2 3.46Å; S349-E351 PolarHBondContact O-N 2.71Å; S349-E351 PolarHBondContact OG-N 2.93Å; S349-E351 PolarHBondContact OG-OE2 2.89Å; S349-H352 PolarHBondContact O-N 2.84Å; S349-H352 PolarHBondContact OG-N 3.3Å; S349-H352 VanDerWaalsContact OG-N 3.12Å; S349-Q353 PolarHBondContact O-N 2.84Å; S349-N388 VanDerWaalsContact CA-ND2 3.25Å; S349-N388 WeakPolarHBondContact CA-ND2 3.42Å
350P97.9Very high97.5Very high28 Ų2838.5 Ų38.518%0.18219%0.193CC..Hα-helixtrans-58-38.4170.6-23.433000113.7W52 H352 Q353 Q354 D387 N388W52-P350 HydrophobicContact CD2-CG 4.05Å; W52-P350 HydrophobicContact CE3-CG 4.43Å; W52-P350 HydrophobicContact CH2-CG 4.37Å; W52-P350 VanDerWaalsContact CZ2-CD 3.4Å; W52-P350 HydrophobicContact CZ2-CG 3.95Å; P350-H352 VanDerWaalsContact C-N 3.3Å; P350-H352 PolarHBondContact O-N 3.02Å; P350-Q353 WeakPolarHBondContact O-CB 3.26Å; P350-Q353 PolarHBondContact O-N 3.39Å; P350-Q354 PolarHBondContact O-N 3.33Å; P350-D387 WeakPolarHBondContact CA-O 3.44Å; P350-D387 HydrophobicContact CB-CB 4.37Å; P350-N388 WeakPolarHBondContact CD-OD1 3.37Å; P350-N388 WeakPolarHBondContact CG-OD1 3.38Å
351E98Very high97.8Very high127 Ų12742.5 Ų42.559%0.59320%0.203SC*.Hα-helixtrans-64.1-39.2177.5-56.675.8-164.600111S349 Q354 K355S349-E351 VanDerWaalsContact C-N 3.3Å; S349-E351 WeakPolarHBondContact CB-OE2 3.46Å; S349-E351 PolarHBondContact O-N 2.71Å; S349-E351 PolarHBondContact OG-N 2.93Å; S349-E351 PolarHBondContact OG-OE2 2.89Å; E351-Q354 PolarHBondContact O-N 3.45Å; E351-K355 PolarHBondContact O-N 3.07Å
352H98.2Very high98Very high19 Ų1936.5 Ų36.59%0.08818%0.18CC..Hα-helixtrans-69.2-40175.8-167.559.4000111.7Q303 I348 S349 P350 Q354 K355 V356 F410Q303-H352 PolarHBondContact OE1-CD2 3.29Å; Q303-H352 VanDerWaalsContact OE1-CD2 3.31Å; I348-H352 HydrophobicContact CG2-CB 3.78Å; S349-H352 PolarHBondContact O-N 2.84Å; S349-H352 PolarHBondContact OG-N 3.3Å; S349-H352 VanDerWaalsContact OG-N 3.12Å; P350-H352 VanDerWaalsContact C-N 3.3Å; P350-H352 PolarHBondContact O-N 3.02Å; H352-Q354 VanDerWaalsContact C-N 3.34Å; H352-Q354 PolarHBondContact O-N 2.88Å; H352-K355 WeakPolarHBondContact O-CB 3.47Å; H352-K355 PolarHBondContact O-N 3.38Å; H352-V356 WeakPolarHBondContact O-CG2 3.42Å; H352-V356 PolarHBondContact O-N 3.49Å; H352-F410 PolarHBondContact CE1-O 3.31Å; H352-F410 PolarHBondContact NE2-O 3.06Å
353Q98.2Very high98.1Very high4 Ų436.4 Ų36.42%0.01918%0.18CC..Hα-helixtrans-56.9-47.9171.6-171.3-148.755.600111.3L347 S349 P350 K355 V356 Y357 N386 D387 F389L347-Q353 HydrophobicContact CD1-CB 4.09Å; L347-Q353 HydrophobicContact CD1-CG 4.24Å; S349-Q353 PolarHBondContact O-N 2.84Å; P350-Q353 WeakPolarHBondContact O-CB 3.26Å; P350-Q353 PolarHBondContact O-N 3.39Å; Q353-K355 VanDerWaalsContact C-N 3.29Å; Q353-K355 PolarHBondContact O-N 2.85Å; Q353-V356 PolarHBondContact O-N 3.42Å; Q353-V356 VanDerWaalsContact O-N 3.09Å; Q353-Y357 HydrophobicContact CG-CD2 4.02Å; Q353-Y357 HydrophobicContact CG-CE2 3.56Å; Q353-Y357 PolarHBondContact O-N 2.94Å; Q353-N386 PolarHBondContact NE2-O 3.5Å; Q353-D387 VanDerWaalsContact CB-O 3.28Å; Q353-D387 WeakPolarHBondContact CB-O 3.16Å; Q353-D387 PolarHBondContact NE2-O 2.81Å; Q353-D387 PolarHBondContact OE1-O 2.9Å; Q353-F389 PolarHBondContact NE2-O 3.21Å
354Q98.3Very high98.3Very high95 Ų9538 Ų3844%0.44418%0.183SC..Hα-helixtrans-62.4-37178.7-172.25854.300112P350 E351 H352 V356 Y357 N358P350-Q354 PolarHBondContact O-N 3.33Å; E351-Q354 PolarHBondContact O-N 3.45Å; H352-Q354 VanDerWaalsContact C-N 3.34Å; H352-Q354 PolarHBondContact O-N 2.88Å; Q354-V356 VanDerWaalsContact C-N 3.35Å; Q354-V356 PolarHBondContact O-N 3.39Å; Q354-Y357 PolarHBondContact O-N 3.36Å; Q354-N358 PolarHBondContact NE2-OD1 3.45Å; Q354-N358 PolarHBondContact O-N 3.18Å; Q354-N358 PolarHBondContact O-ND2 2.73Å; Q354-N358 PolarHBondContact O-OD1 3.09Å
355K98.3Very high98.3Very high88 Ų8842.4 Ų42.438%0.38321%0.214SC..Hα-helixtrans-58.3-45.9172178.7-175169.7-172.30111.3E351 H352 Q353 N358 Y359E351-K355 PolarHBondContact O-N 3.07Å; H352-K355 WeakPolarHBondContact O-CB 3.47Å; H352-K355 PolarHBondContact O-N 3.38Å; Q353-K355 VanDerWaalsContact C-N 3.29Å; Q353-K355 PolarHBondContact O-N 2.85Å; K355-N358 PolarHBondContact O-N 3Å; K355-Y359 HydrophobicContact CD-CE2 4.49Å; K355-Y359 HydrophobicContact CG-CD2 4.24Å; K355-Y359 HydrophobicContact CG-CE2 3.95Å; K355-Y359 VanDerWaalsContact O-CD2 3.29Å; K355-Y359 WeakPolarHBondContact O-CD2 3.42Å; K355-Y359 PolarHBondContact O-N 3.08Å
356V98.6Very high98.3Very high0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-63.1-44.3177.5178.50000111.3L347 H352 Q353 Q354 N358 Y359 I360 I390 I409 V413L347-V356 HydrophobicContact CD1-CB 4.49Å; L347-V356 HydrophobicContact CD1-CG2 4.06Å; H352-V356 WeakPolarHBondContact O-CG2 3.42Å; H352-V356 PolarHBondContact O-N 3.49Å; Q353-V356 PolarHBondContact O-N 3.42Å; Q353-V356 VanDerWaalsContact O-N 3.09Å; Q354-V356 VanDerWaalsContact C-N 3.35Å; Q354-V356 PolarHBondContact O-N 3.39Å; V356-N358 VanDerWaalsContact C-N 3.29Å; V356-N358 PolarHBondContact O-N 3.47Å; V356-Y359 WeakPolarHBondContact O-CB 3.33Å; V356-Y359 PolarHBondContact O-N 3.19Å; V356-Y359 VanDerWaalsContact O-N 3.14Å; V356-I360 HydrophobicContact CG1-CD1 4.19Å; V356-I360 PolarHBondContact O-N 3.4Å; V356-I360 VanDerWaalsContact O-N 3.1Å; V356-I390 HydrophobicContact CB-CD1 4.5Å; V356-I390 HydrophobicContact CG1-CD1 3.67Å; V356-I409 HydrophobicContact CB-CG2 4.5Å; V356-I409 HydrophobicContact CG1-CG2 4.09Å; V356-I409 HydrophobicContact CG2-CG2 4.27Å; V356-V413 HydrophobicContact CG1-CG2 3.8Å
357Y98.3Very high98.4Very high35 Ų3547.6 Ų47.614%0.13725%0.251CS..Hα-helixtrans-60.2-38.8175.2-76.1-47.2000113Q353 Q354 Y359 I360 K361 G374 E375 K376 F389 I390Q353-Y357 HydrophobicContact CG-CD2 4.02Å; Q353-Y357 HydrophobicContact CG-CE2 3.56Å; Q353-Y357 PolarHBondContact O-N 2.94Å; Q354-Y357 PolarHBondContact O-N 3.36Å; Y357-Y359 VanDerWaalsContact C-N 3.28Å; Y357-Y359 PolarHBondContact O-N 2.88Å; Y357-I360 HydrophobicContact CD1-CD1 4.45Å; Y357-I360 PolarHBondContact O-N 3.36Å; Y357-K361 WeakPolarHBondContact O-CB 3.37Å; Y357-K361 PolarHBondContact O-N 2.8Å; Y357-G374 WeakPolarHBondContact CE1-O 3.47Å; Y357-E375 VanDerWaalsContact OH-C 3.31Å; Y357-K376 HydrophobicContact CE2-CG 4.22Å; Y357-K376 WeakPolarHBondContact OH-CA 3.31Å; Y357-K376 WeakPolarHBondContact OH-CG 3.45Å; Y357-K376 PolarHBondContact OH-N 3Å; Y357-K376 VanDerWaalsContact OH-N 3.14Å; Y357-F389 PolarHBondContact OH-O 3.2Å; Y357-I390 HydrophobicContact CD1-CD1 3.84Å; Y357-I390 HydrophobicContact CE1-CD1 3.46Å; Y357-I390 VanDerWaalsContact CE1-CD1 3.46Å; Y357-I390 HydrophobicContact CE1-CG1 3.73Å
358N98.6Very high98.3Very high87 Ų8747.9 Ų47.947%0.46525%0.254SS..Hα-helixtrans-63.2-36177.2-68.5-18.5000111.8Q354 K355 V356 S362Q354-N358 PolarHBondContact NE2-OD1 3.45Å; Q354-N358 PolarHBondContact O-N 3.18Å; Q354-N358 PolarHBondContact O-ND2 2.73Å; Q354-N358 PolarHBondContact O-OD1 3.09Å; K355-N358 PolarHBondContact O-N 3Å; V356-N358 VanDerWaalsContact C-N 3.29Å; V356-N358 PolarHBondContact O-N 3.47Å; N358-S362 WeakPolarHBondContact O-CB 3.41Å; N358-S362 PolarHBondContact O-N 3.01Å
359Y98.7Very high98.4Very high25 Ų2550.5 Ų50.510%0.09827%0.27CS..Hα-helixtrans-65.1-46.5172.6-84.3-67.9000112.4K355 V356 Y357 K361 S362 A363 K403 V404 E407 I409K355-Y359 HydrophobicContact CD-CE2 4.49Å; K355-Y359 HydrophobicContact CG-CD2 4.24Å; K355-Y359 HydrophobicContact CG-CE2 3.95Å; K355-Y359 VanDerWaalsContact O-CD2 3.29Å; K355-Y359 WeakPolarHBondContact O-CD2 3.42Å; K355-Y359 PolarHBondContact O-N 3.08Å; V356-Y359 WeakPolarHBondContact O-CB 3.33Å; V356-Y359 PolarHBondContact O-N 3.19Å; V356-Y359 VanDerWaalsContact O-N 3.14Å; Y357-Y359 VanDerWaalsContact C-N 3.28Å; Y357-Y359 PolarHBondContact O-N 2.88Å; Y359-K361 VanDerWaalsContact C-N 3.32Å; Y359-K361 PolarHBondContact O-N 3.43Å; Y359-S362 WeakPolarHBondContact O-CB 3.36Å; Y359-S362 PolarHBondContact O-N 2.69Å; Y359-A363 PolarHBondContact O-N 3.26Å; Y359-K403 HydrophobicContact CD1-CD 4.43Å; Y359-K403 HydrophobicContact CD1-CG 4.37Å; Y359-K403 HydrophobicContact CE1-CD 4.13Å; Y359-K403 HydrophobicContact CE1-CG 4.01Å; Y359-V404 HydrophobicContact CD1-CG1 4.03Å; Y359-V404 HydrophobicContact CG-CG1 4.45Å; Y359-V404 WeakPolarHBondContact O-CG1 3.38Å; Y359-E407 HydrophobicContact CE1-CB 3.9Å; Y359-E407 VanDerWaalsContact CE1-OE2 3.28Å; Y359-E407 WeakPolarHBondContact CE1-OE2 3.4Å; Y359-E407 PolarHBondContact OH-OE2 2.81Å; Y359-I409 HydrophobicContact CD1-CG1 4.13Å; Y359-I409 HydrophobicContact CD2-CB 4.29Å; Y359-I409 HydrophobicContact CD2-CG1 4.27Å; Y359-I409 HydrophobicContact CD2-CG2 3.96Å; Y359-I409 HydrophobicContact CG-CB 4.41Å; Y359-I409 HydrophobicContact CG-CG1 3.92Å; Y359-I409 HydrophobicContact CG-CG2 4.17Å
360I98.6Very high98.4Very high7 Ų753.3 Ų53.34%0.03628%0.284CS..Hα-helixtrans-60.1-45177.8-65.3167.1000110.5V356 Y357 S362 A363 I364 L370 I390 C393 V413V356-I360 HydrophobicContact CG1-CD1 4.19Å; V356-I360 PolarHBondContact O-N 3.4Å; V356-I360 VanDerWaalsContact O-N 3.1Å; Y357-I360 HydrophobicContact CD1-CD1 4.45Å; Y357-I360 PolarHBondContact O-N 3.36Å; I360-S362 VanDerWaalsContact C-N 3.35Å; I360-S362 PolarHBondContact O-N 3.19Å; I360-A363 WeakPolarHBondContact O-CB 3.29Å; I360-A363 PolarHBondContact O-N 3.49Å; I360-I364 HydrophobicContact CG2-CD1 4.15Å; I360-I364 WeakPolarHBondContact O-CG1 3.19Å; I360-I364 PolarHBondContact O-N 2.9Å; I360-I364 VanDerWaalsContact O-N 3.1Å; I360-L370 HydrophobicContact CG2-CD1 4.41Å; I360-I390 HydrophobicContact CD1-CD1 3.54Å; I360-C393 HydrophobicContact CD1-CB 4.16Å; I360-V413 HydrophobicContact CD1-CG2 3.99Å; I360-V413 HydrophobicContact CG1-CG1 4.4Å; I360-V413 HydrophobicContact CG1-CG2 4.02Å
361K98.4Very high98.4Very high154 Ų15455.3 Ų55.367%0.6729%0.293SS*.Hα-helixtrans-61.1-42176.1-174.6177.8178.2-179.10112.2Y357 Y359 A363 I364 S365Y357-K361 WeakPolarHBondContact O-CB 3.37Å; Y357-K361 PolarHBondContact O-N 2.8Å; Y359-K361 VanDerWaalsContact C-N 3.32Å; Y359-K361 PolarHBondContact O-N 3.43Å; K361-A363 VanDerWaalsContact C-N 3.34Å; K361-I364 PolarHBondContact O-N 3.32Å; K361-S365 PolarHBondContact O-N 2.89Å; K361-S365 PolarHBondContact O-OG 3.49Å
362S98.4Very high98.4Very high23 Ų2352.3 Ų52.316%0.16128%0.277CS..Hα-helixtrans-57.5-48.3174.7-155.60000110.7N358 Y359 I360 I364 S365 E366N358-S362 WeakPolarHBondContact O-CB 3.41Å; N358-S362 PolarHBondContact O-N 3.01Å; Y359-S362 WeakPolarHBondContact O-CB 3.36Å; Y359-S362 PolarHBondContact O-N 2.69Å; I360-S362 VanDerWaalsContact C-N 3.35Å; I360-S362 PolarHBondContact O-N 3.19Å; S362-I364 PolarHBondContact O-N 3.2Å; S362-S365 WeakPolarHBondContact CA-OG 3.21Å; S362-S365 PolarHBondContact O-N 3.02Å; S362-S365 VanDerWaalsContact O-N 3.14Å; S362-S365 PolarHBondContact O-OG 3.3Å; S362-E366 WeakPolarHBondContact O-CB 3.44Å; S362-E366 VanDerWaalsContact O-CG 3.27Å; S362-E366 WeakPolarHBondContact O-CG 3.4Å; S362-E366 PolarHBondContact O-N 3.28Å; S362-E366 PolarHBondContact OG-OE1 3.04Å
363A98.6Very high98.4Very high0 Ų052.1 Ų52.10%028%0.28CS..Hα-helixtrans-58-46.5179.300000112.4Y359 I360 K361 S365 E366 G367 A368 L395 V404Y359-A363 PolarHBondContact O-N 3.26Å; I360-A363 WeakPolarHBondContact O-CB 3.29Å; I360-A363 PolarHBondContact O-N 3.49Å; K361-A363 VanDerWaalsContact C-N 3.34Å; A363-S365 VanDerWaalsContact C-N 3.34Å; A363-S365 PolarHBondContact O-N 3.45Å; A363-E366 CarbonylContact O-C 3.52Å; A363-E366 PolarHBondContact O-N 2.98Å; A363-E366 VanDerWaalsContact O-N 3.16Å; A363-G367 PolarHBondContact O-N 2.96Å; A363-A368 HydrophobicContact CB-CB 3.83Å; A363-A368 WeakPolarHBondContact O-CB 3.14Å; A363-A368 PolarHBondContact O-N 3.5Å; A363-L395 HydrophobicContact CB-CD1 3.56Å; A363-L395 HydrophobicContact CB-CD2 4.25Å; A363-L395 HydrophobicContact CB-CG 4.5Å; A363-V404 HydrophobicContact CB-CB 4.29Å; A363-V404 HydrophobicContact CB-CG1 3.81Å; A363-V404 HydrophobicContact CB-CG2 3.55Å
364I98.5Very high98.3Very high82 Ų8252.4 Ų52.442%0.42128%0.283SS..Hα-helixtrans-61.7-44177.7-64.1166000110.5I360 K361 S362 E366 G367 L370I360-I364 HydrophobicContact CG2-CD1 4.15Å; I360-I364 WeakPolarHBondContact O-CG1 3.19Å; I360-I364 PolarHBondContact O-N 2.9Å; I360-I364 VanDerWaalsContact O-N 3.1Å; K361-I364 PolarHBondContact O-N 3.32Å; S362-I364 PolarHBondContact O-N 3.2Å; I364-E366 PolarHBondContact O-N 2.79Å; I364-G367 PolarHBondContact O-N 3.37Å; I364-G367 VanDerWaalsContact O-N 3.11Å; I364-L370 HydrophobicContact CD1-CB 4.17Å; I364-L370 HydrophobicContact CD1-CD2 4.25Å; I364-L370 HydrophobicContact CG1-CB 4.36Å
365S98.4Very high98.2Very high95 Ų9553.3 Ų53.366%0.66429%0.287SS*.Hα-helixtrans-65.7-25.5177.467.80000113.8K361 S362 A363 G367K361-S365 PolarHBondContact O-N 2.89Å; K361-S365 PolarHBondContact O-OG 3.49Å; S362-S365 WeakPolarHBondContact CA-OG 3.21Å; S362-S365 PolarHBondContact O-N 3.02Å; S362-S365 VanDerWaalsContact O-N 3.14Å; S362-S365 PolarHBondContact O-OG 3.3Å; A363-S365 VanDerWaalsContact C-N 3.34Å; A363-S365 PolarHBondContact O-N 3.45Å; S365-G367 VanDerWaalsContact C-N 3.32Å
366E98.4Very high98Very high62 Ų6253.2 Ų53.229%0.2929%0.287SS..THydrogen-bonded Turntrans-87.90.9176.6-68.6166.3-132.500112.6S362 A363 I364 M402 K403S362-E366 WeakPolarHBondContact O-CB 3.44Å; S362-E366 VanDerWaalsContact O-CG 3.27Å; S362-E366 WeakPolarHBondContact O-CG 3.4Å; S362-E366 PolarHBondContact O-N 3.28Å; S362-E366 PolarHBondContact OG-OE1 3.04Å; A363-E366 CarbonylContact O-C 3.52Å; A363-E366 PolarHBondContact O-N 2.98Å; A363-E366 VanDerWaalsContact O-N 3.16Å; I364-E366 PolarHBondContact O-N 2.79Å; E366-M402 HydrophobicContact CB-CE 4.47Å; E366-M402 HydrophobicContact CB-CG 4.15Å; E366-M402 WeakPolarHBondContact O-CE 3.42Å; E366-M402 WeakPolarHBondContact OE2-CA 3.49Å; E366-M402 VanDerWaalsContact OE2-CB 3.32Å; E366-M402 WeakPolarHBondContact OE2-CB 3.5Å; E366-K403 WeakPolarHBondContact OE1-CB 3.5Å; E366-K403 PolarHBondContact OE2-N 2.98Å
367G98.1Very high97.7Very high49 Ų4953.8 Ų53.851%0.50529%0.291SS..THydrogen-bonded Turntrans102.43.4174.400000115.5A363 I364 S365A363-G367 PolarHBondContact O-N 2.96Å; I364-G367 PolarHBondContact O-N 3.37Å; I364-G367 VanDerWaalsContact O-N 3.11Å; S365-G367 VanDerWaalsContact C-N 3.32Å
368A98.5Very high97.2Very high7 Ų761.3 Ų61.36%0.05832%0.324CS..  trans-67.3147.3172.600000110.8A363 T396 M402A363-A368 HydrophobicContact CB-CB 3.83Å; A363-A368 WeakPolarHBondContact O-CB 3.14Å; A363-A368 PolarHBondContact O-N 3.5Å; A368-T396 CarbonylContact C-O 3.59Å; A368-T396 WeakPolarHBondContact CA-O 3.49Å; A368-M402 HydrophobicContact CB-CE 4.11Å; A368-M402 HydrophobicContact CB-SD 3.94Å
369T98.6Very high96.7Very high62 Ų6259.7 Ų59.738%0.3831%0.313SS..EExtended strand (participates in β ladder)trans-96.9122.1173.2-59.90000109.7L371 L395 T396 N397T369-L371 PolarHBondContact O-N 3.42Å; T369-L371 VanDerWaalsContact O-N 3.12Å; T369-L395 WeakPolarHBondContact O-CA 3.18Å; T369-T396 PolarHBondContact N-O 3.38Å; T369-T396 PolarHBondContact O-N 3.48Å; T369-T396 PolarHBondContact O-OG1 2.97Å; T369-N397 PolarHBondContact OG1-ND2 2.79Å
370L98.4Very high95.3Very high71 Ų7168.6 Ų68.637%0.37235%0.352SS..EExtended strand (participates in β ladder)trans-73.199.1169.4-178.762.5000109I360 I364 C393 L395I360-L370 HydrophobicContact CG2-CD1 4.41Å; I364-L370 HydrophobicContact CD1-CB 4.17Å; I364-L370 HydrophobicContact CD1-CD2 4.25Å; I364-L370 HydrophobicContact CG1-CB 4.36Å; L370-C393 WeakPolarHBondContact CD1-SG 3.44Å; L370-L395 HydrophobicContact CB-CD2 4.4Å; L370-L395 HydrophobicContact CD1-CD2 3.93Å
371L98.1Very high93.4Very high70 Ų7075 Ų7537%0.36639%0.391SS..EExtended strand (participates in β ladder)trans-80.8-36.3-175.9-175.466.4000112T322 I326 T369 I394 T396T322-L371 HydrophobicContact CG2-CD2 3.57Å; I326-L371 HydrophobicContact CD1-CD1 4.29Å; I326-L371 HydrophobicContact CD1-CD2 3.55Å; I326-L371 HydrophobicContact CD1-CG 3.9Å; I326-L371 HydrophobicContact CG1-CD2 3.94Å; I326-L371 HydrophobicContact CG1-CG 4.41Å; T369-L371 PolarHBondContact O-N 3.42Å; T369-L371 VanDerWaalsContact O-N 3.12Å; L371-I394 HydrophobicContact CB-CB 4.37Å; L371-I394 HydrophobicContact CB-CG2 4.14Å; L371-I394 WeakPolarHBondContact CB-O 3.27Å; L371-I394 HydrophobicContact CD2-CG2 3.87Å; L371-I394 PolarHBondContact N-O 3.41Å; L371-T396 HydrophobicContact CB-CG2 4.21Å; L371-T396 HydrophobicContact CD2-CG2 3.71Å
372Y98.1Very high92Very high64 Ų6469.9 Ų69.925%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-154.9142.9-179-175.8-92.7000112V329 K330 P392 C393 I394V329-Y372 HydrophobicContact CG1-CD1 3.55Å; V329-Y372 HydrophobicContact CG1-CE1 3.48Å; V329-Y372 VanDerWaalsContact CG1-CE1 3.48Å; K330-Y372 HydrophobicContact CD-CE2 4.39Å; K330-Y372 HydrophobicContact CG-CD2 4.33Å; K330-Y372 HydrophobicContact CG-CE2 3.51Å; Y372-P392 WeakPolarHBondContact CD1-O 3.49Å; Y372-C393 WeakPolarHBondContact O-CA 3.31Å; Y372-I394 PolarHBondContact N-O 3.22Å; Y372-I394 PolarHBondContact O-N 3.01Å
373G97.7Very high91.3Very high15 Ų1572.6 Ų72.616%0.15539%0.388CS..  trans58.3-137.3167.700000114.8E375 T391 P392G373-E375 VanDerWaalsContact C-N 3.3Å; G373-E375 PolarHBondContact O-N 3.4Å; G373-T391 VanDerWaalsContact CA-OG1 3.3Å; G373-T391 WeakPolarHBondContact CA-OG1 3.37Å; G373-P392 VanDerWaalsContact CA-O 3.26Å; G373-P392 WeakPolarHBondContact CA-O 3.29Å
374G97.1Very high91.1Very high9 Ų973.6 Ų73.69%0.09339%0.393CS..  trans67.829.1-173.500000113.9Y357 T391 P392Y357-G374 WeakPolarHBondContact CE1-O 3.47Å; G374-T391 PolarHBondContact N-O 2.95Å; G374-T391 PolarHBondContact N-OG1 2.84Å; G374-P392 PolarHBondContact N-O 3.35Å
375E96Very high90.8Very high114 Ų11471.4 Ų71.453%0.53338%0.382SS..SBendtrans-128.2168.4-176.560.6176.7-17700111.7Y357 G373 T391Y357-E375 VanDerWaalsContact OH-C 3.31Å; G373-E375 VanDerWaalsContact C-N 3.3Å; G373-E375 PolarHBondContact O-N 3.4Å; E375-T391 HydrophobicContact CG-CG2 4.16Å; E375-T391 WeakPolarHBondContact CG-OG1 3.48Å; E375-T391 PolarHBondContact N-OG1 2.84Å; E375-T391 PolarHBondContact O-N 3.45Å; E375-T391 PolarHBondContact O-OG1 2.96Å
376K94.7Very high90.5Very high87 Ų8769.3 Ų69.338%0.37836%0.364SS..  trans-68.7129.2172.5-69.4-172.1-179.1-173.50109.6Y357 D387Y357-K376 HydrophobicContact CE2-CG 4.22Å; Y357-K376 WeakPolarHBondContact OH-CA 3.31Å; Y357-K376 WeakPolarHBondContact OH-CG 3.45Å; Y357-K376 PolarHBondContact OH-N 3Å; Y357-K376 VanDerWaalsContact OH-N 3.14Å; K376-D387 IonicContact NZ-OD1 3.54Å; K376-D387 PolarHBondContact NZ-OD1 3.37Å
377P92.3Very high90.3Very high12 Ų1269.7 Ų69.78%0.07837%0.368CS..  trans-59.4153.2172.5-22.833.5000112.5V334 F379 N386 F389 T391V334-P377 HydrophobicContact CB-CG 4.42Å; V334-P377 HydrophobicContact CG1-CG 3.92Å; P377-F379 HydrophobicContact CB-CD1 4.31Å; P377-F379 HydrophobicContact CB-CE1 3.74Å; P377-F379 HydrophobicContact CB-CE2 4.01Å; P377-F379 HydrophobicContact CB-CZ 3.58Å; P377-F379 HydrophobicContact CG-CE1 4.38Å; P377-F379 HydrophobicContact CG-CE2 4.38Å; P377-F379 HydrophobicContact CG-CZ 3.87Å; P377-N386 PolarHBondContact O-ND2 3.21Å; P377-N386 PolarHBondContact O-OD1 2.85Å; P377-N386 VanDerWaalsContact O-OD1 3.11Å; P377-F389 HydrophobicContact CG-CB 3.81Å; P377-T391 HydrophobicContact CB-CG2 4.31Å; P377-T391 HydrophobicContact CG-CG2 3.89Å
378K87Confident90.3Very high192 Ų19267.4 Ų67.484%0.83534%0.344SS*.  trans-101.989.3172.3-64-177.3-176.3175.30109.5
379F87.4Confident90.3Very high54 Ų5467 Ų6724%0.23734%0.341CS..  trans-75.4134.2175.5-56.5-57.8000110.9P377 S382 L384 N386 F389P377-F379 HydrophobicContact CB-CD1 4.31Å; P377-F379 HydrophobicContact CB-CE1 3.74Å; P377-F379 HydrophobicContact CB-CE2 4.01Å; P377-F379 HydrophobicContact CB-CZ 3.58Å; P377-F379 HydrophobicContact CG-CE1 4.38Å; P377-F379 HydrophobicContact CG-CE2 4.38Å; P377-F379 HydrophobicContact CG-CZ 3.87Å; F379-S382 VanDerWaalsContact CB-OG 3.27Å; F379-S382 WeakPolarHBondContact CB-OG 3.18Å; F379-L384 HydrophobicContact CD1-CD1 4.34Å; F379-L384 HydrophobicContact CD2-CB 4.37Å; F379-L384 HydrophobicContact CD2-CD1 4.45Å; F379-L384 HydrophobicContact CE1-CD1 4.18Å; F379-L384 HydrophobicContact CE2-CB 4.33Å; F379-L384 HydrophobicContact CE2-CD1 4.29Å; F379-L384 HydrophobicContact CG-CD1 4.47Å; F379-L384 HydrophobicContact CZ-CD1 4.14Å; F379-N386 WeakPolarHBondContact CE2-OD1 3.27Å; F379-F389 HydrophobicContact CE2-CB 4.12Å; F379-F389 HydrophobicContact CE2-CD1 4.49Å; F379-F389 AromaticContact CE2-CD2 3.83Å; F379-F389 HydrophobicContact CE2-CD2 3.83Å; F379-F389 HydrophobicContact CE2-CE2 4.38Å; F379-F389 AromaticContact CE2-CG 3.9Å; F379-F389 HydrophobicContact CE2-CG 3.9Å; F379-F389 HydrophobicContact CZ-CB 4Å; F379-F389 AromaticContact CZ-CD1 3.89Å; F379-F389 HydrophobicContact CZ-CD1 3.89Å; F379-F389 HydrophobicContact CZ-CD2 4.05Å; F379-F389 HydrophobicContact CZ-CE1 4.34Å; F379-F389 AromaticContact CZ-CG 3.71Å; F379-F389 HydrophobicContact CZ-CG 3.71Å
380K71.1Confident90.2Very high211 Ų21164.2 Ų64.292%0.91732%0.324SS*.SBendtrans-74.9-41-175.4-69.2-173.3177.6-179.70113.1
381V58.3Low90.2Very high141 Ų14161.7 Ų61.786%0.85531%0.311SS*.SBendtrans-159.1109.9173-1750000105.9
382S68.1Low90.2Very high48 Ų4858.5 Ų58.534%0.33630%0.295SS..  trans-156.1143.917667.30000112.5F379 L384F379-S382 VanDerWaalsContact CB-OG 3.27Å; F379-S382 WeakPolarHBondContact CB-OG 3.18Å; S382-L384 PolarHBondContact O-N 2.89Å; S382-L384 VanDerWaalsContact O-N 3.11Å; S382-L384 WeakPolarHBondContact OG-CB 3.39Å
383N84.8Confident90.2Very high80 Ų8055.5 Ų55.543%0.42828%0.283SS..SBendtrans-70.114.8164.460.6-42000113.4
384L92.6Very high90.3Very high21 Ų2154.8 Ų54.811%0.1128%0.275CS..  trans-83.3138.1-178.8-60.6175.1000110.7S50 D336 F379 S382 N386 F389S50-L384 CarbonylContact O-C 3.38Å; S50-L384 WeakPolarHBondContact O-CA 3.4Å; S50-L384 WeakPolarHBondContact O-CD2 3.19Å; D336-L384 HydrophobicContact CB-CD1 4.24Å; D336-L384 HydrophobicContact CB-CD2 4Å; F379-L384 HydrophobicContact CD1-CD1 4.34Å; F379-L384 HydrophobicContact CD2-CB 4.37Å; F379-L384 HydrophobicContact CD2-CD1 4.45Å; F379-L384 HydrophobicContact CE1-CD1 4.18Å; F379-L384 HydrophobicContact CE2-CB 4.33Å; F379-L384 HydrophobicContact CE2-CD1 4.29Å; F379-L384 HydrophobicContact CG-CD1 4.47Å; F379-L384 HydrophobicContact CZ-CD1 4.14Å; S382-L384 PolarHBondContact O-N 2.89Å; S382-L384 VanDerWaalsContact O-N 3.11Å; S382-L384 WeakPolarHBondContact OG-CB 3.39Å; L384-N386 PolarHBondContact O-N 3.01Å; L384-F389 HydrophobicContact CB-CE2 3.82Å; L384-F389 HydrophobicContact CB-CZ 4.21Å; L384-F389 HydrophobicContact CD1-CE2 4.45Å; L384-F389 HydrophobicContact CD1-CZ 4.1Å; L384-F389 HydrophobicContact CD2-CE2 4.37Å; L384-F389 HydrophobicContact CD2-CZ 4.01Å; L384-F389 HydrophobicContact CG-CE2 4.42Å; L384-F389 HydrophobicContact CG-CZ 4.32Å
385N92.7Very high90.4Very high36 Ų3654.3 Ų54.319%0.19327%0.271CS..  trans-80.5100.7174.3-174.830.8000110.3S50 W52 D387 N388 F389S50-N385 PolarHBondContact O-N 3.23Å; W52-N385 HydrophobicContact CB-CB 3.72Å; W52-N385 WeakPolarHBondContact CB-ND2 3.26Å; N385-D387 PolarHBondContact O-N 2.93Å; N385-N388 PolarHBondContact ND2-OD1 3.01Å; N385-N388 PolarHBondContact O-N 3.48Å; N385-F389 WeakPolarHBondContact O-CD2 3.45Å
386N92.3Very high90.5Very high50 Ų5050 Ų5027%0.26725%0.252SS..G310 helixtrans-59.8-17.9-176.8-157.325.3000113.7Q353 P377 F379 L384 N388 F389Q353-N386 PolarHBondContact NE2-O 3.5Å; P377-N386 PolarHBondContact O-ND2 3.21Å; P377-N386 PolarHBondContact O-OD1 2.85Å; P377-N386 VanDerWaalsContact O-OD1 3.11Å; F379-N386 WeakPolarHBondContact CE2-OD1 3.27Å; L384-N386 PolarHBondContact O-N 3.01Å; N386-N388 PolarHBondContact O-N 3.25Å; N386-F389 PolarHBondContact O-N 3.47Å
387D95Very high90.6Very high71 Ų7151.3 Ų51.338%0.3826%0.263SS..G310 helixtrans-75.1-1.3174.7-64.2-23.7000113.8P350 Q353 K376 N385P350-D387 WeakPolarHBondContact CA-O 3.44Å; P350-D387 HydrophobicContact CB-CB 4.37Å; Q353-D387 VanDerWaalsContact CB-O 3.28Å; Q353-D387 WeakPolarHBondContact CB-O 3.16Å; Q353-D387 PolarHBondContact NE2-O 2.81Å; Q353-D387 PolarHBondContact OE1-O 2.9Å; K376-D387 IonicContact NZ-OD1 3.54Å; K376-D387 PolarHBondContact NZ-OD1 3.37Å; N385-D387 PolarHBondContact O-N 2.93Å
388N97.4Very high90.8Very high0 Ų051.4 Ų51.40%026%0.264CS..G310 helixtrans-108.3-4.7170.6-72.564000113P49 A346 L347 S349 P350 N385 N386P49-N388 WeakPolarHBondContact O-CB 3.29Å; P49-N388 PolarHBondContact O-ND2 3.35Å; P49-N388 VanDerWaalsContact O-ND2 3.08Å; A346-N388 HydrophobicContact CB-CB 4.16Å; L347-N388 VanDerWaalsContact CB-O 3.27Å; L347-N388 WeakPolarHBondContact CB-O 3.39Å; L347-N388 PolarHBondContact N-O 2.86Å; L347-N388 PolarHBondContact O-ND2 3.47Å; L347-N388 VanDerWaalsContact O-ND2 3.09Å; S349-N388 VanDerWaalsContact CA-ND2 3.25Å; S349-N388 WeakPolarHBondContact CA-ND2 3.42Å; P350-N388 WeakPolarHBondContact CD-OD1 3.37Å; P350-N388 WeakPolarHBondContact CG-OD1 3.38Å; N385-N388 PolarHBondContact ND2-OD1 3.01Å; N385-N388 PolarHBondContact O-N 3.48Å; N386-N388 PolarHBondContact O-N 3.25Å
389F97.8Very high91.3Very high0 Ų046.6 Ų46.60%025%0.245CC..  trans-109144.9-174.8-66.6-93.4000112.6S50 V334 G335 A346 Q353 Y357 P377 F379 L384 N385 N386S50-F389 WeakPolarHBondContact O-CE2 3.28Å; V334-F389 HydrophobicContact CG1-CD1 3.84Å; G335-F389 WeakPolarHBondContact O-CE1 3.48Å; A346-F389 HydrophobicContact CB-CD1 4.2Å; A346-F389 HydrophobicContact CB-CD2 4.46Å; A346-F389 HydrophobicContact CB-CE1 3.68Å; A346-F389 HydrophobicContact CB-CE2 3.94Å; A346-F389 HydrophobicContact CB-CZ 3.54Å; Q353-F389 PolarHBondContact NE2-O 3.21Å; Y357-F389 PolarHBondContact OH-O 3.2Å; P377-F389 HydrophobicContact CG-CB 3.81Å; F379-F389 HydrophobicContact CE2-CB 4.12Å; F379-F389 HydrophobicContact CE2-CD1 4.49Å; F379-F389 AromaticContact CE2-CD2 3.83Å; F379-F389 HydrophobicContact CE2-CD2 3.83Å; F379-F389 HydrophobicContact CE2-CE2 4.38Å; F379-F389 AromaticContact CE2-CG 3.9Å; F379-F389 HydrophobicContact CE2-CG 3.9Å; F379-F389 HydrophobicContact CZ-CB 4Å; F379-F389 AromaticContact CZ-CD1 3.89Å; F379-F389 HydrophobicContact CZ-CD1 3.89Å; F379-F389 HydrophobicContact CZ-CD2 4.05Å; F379-F389 HydrophobicContact CZ-CE1 4.34Å; F379-F389 AromaticContact CZ-CG 3.71Å; F379-F389 HydrophobicContact CZ-CG 3.71Å; L384-F389 HydrophobicContact CB-CE2 3.82Å; L384-F389 HydrophobicContact CB-CZ 4.21Å; L384-F389 HydrophobicContact CD1-CE2 4.45Å; L384-F389 HydrophobicContact CD1-CZ 4.1Å; L384-F389 HydrophobicContact CD2-CE2 4.37Å; L384-F389 HydrophobicContact CD2-CZ 4.01Å; L384-F389 HydrophobicContact CG-CE2 4.42Å; L384-F389 HydrophobicContact CG-CZ 4.32Å; N385-F389 WeakPolarHBondContact O-CD2 3.45Å; N386-F389 PolarHBondContact O-N 3.47Å
390I98Very high91.8Very high3 Ų346 Ų462%0.01524%0.244CC..  trans-137.9142.6171.5-170.1172.1000108.2M344 L347 V356 Y357 I360 P412M344-I390 WeakPolarHBondContact CE-O 3.07Å; L347-I390 HydrophobicContact CD1-CG2 3.78Å; L347-I390 HydrophobicContact CG-CG2 4.23Å; V356-I390 HydrophobicContact CB-CD1 4.5Å; V356-I390 HydrophobicContact CG1-CD1 3.67Å; Y357-I390 HydrophobicContact CD1-CD1 3.84Å; Y357-I390 HydrophobicContact CE1-CD1 3.46Å; Y357-I390 VanDerWaalsContact CE1-CD1 3.46Å; Y357-I390 HydrophobicContact CE1-CG1 3.73Å; I360-I390 HydrophobicContact CD1-CD1 3.54Å; I390-P412 HydrophobicContact CG2-CG 3.35Å
391T97.9Very high93Very high18 Ų1841.5 Ų41.511%0.1123%0.23CC..  trans-72.1153.117156.90000110.7G373 G374 E375 P377 C393G373-T391 VanDerWaalsContact CA-OG1 3.3Å; G373-T391 WeakPolarHBondContact CA-OG1 3.37Å; G374-T391 PolarHBondContact N-O 2.95Å; G374-T391 PolarHBondContact N-OG1 2.84Å; E375-T391 HydrophobicContact CG-CG2 4.16Å; E375-T391 WeakPolarHBondContact CG-OG1 3.48Å; E375-T391 PolarHBondContact N-OG1 2.84Å; E375-T391 PolarHBondContact O-N 3.45Å; E375-T391 PolarHBondContact O-OG1 2.96Å; P377-T391 HydrophobicContact CB-CG2 4.31Å; P377-T391 HydrophobicContact CG-CG2 3.89Å; T391-C393 PolarHBondContact O-N 3.32Å
392P98.3Very high94.9Very high3 Ų334.8 Ų34.82%0.01919%0.189CC..  trans-51.3135173.3-27.837.3000111F298 V329 I332 M344 Y372 G373 G374F298-P392 HydrophobicContact CD1-CB 3.98Å; F298-P392 HydrophobicContact CE1-CB 3.54Å; F298-P392 HydrophobicContact CZ-CB 3.83Å; V329-P392 HydrophobicContact CG1-CB 3.5Å; V329-P392 HydrophobicContact CG1-CG 4.16Å; I332-P392 HydrophobicContact CB-CG 4.03Å; I332-P392 HydrophobicContact CD1-CB 4.39Å; I332-P392 HydrophobicContact CD1-CG 3.94Å; I332-P392 HydrophobicContact CG2-CG 3.87Å; M344-P392 HydrophobicContact CE-CG 3.74Å; M344-P392 HydrophobicContact SD-CG 4.24Å; Y372-P392 WeakPolarHBondContact CD1-O 3.49Å; G373-P392 VanDerWaalsContact CA-O 3.26Å; G373-P392 WeakPolarHBondContact CA-O 3.29Å; G374-P392 PolarHBondContact N-O 3.35Å
393C98.6Very high96.4Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-115.1131.2-176-176.30000111I360 L370 Y372 T391 P412 V413 I414I360-C393 HydrophobicContact CD1-CB 4.16Å; L370-C393 WeakPolarHBondContact CD1-SG 3.44Å; Y372-C393 WeakPolarHBondContact O-CA 3.31Å; T391-C393 PolarHBondContact O-N 3.32Å; C393-P412 PolarHBondContact N-O 3.28Å; C393-V413 HydrophobicContact CB-CB 4.22Å; C393-V413 HydrophobicContact CB-CG1 4.1Å; C393-V413 HydrophobicContact CB-CG2 3.91Å; C393-I414 PolarHBondContact O-N 3.45Å
394I98.7Very high97Very high0 Ų032.8 Ų32.80%017%0.171CC..EExtended strand (participates in β ladder)trans-118.5117.4170.6-60.5166000108.6L325 I326 V329 L371 Y372 T396 I414 L416L325-I394 HydrophobicContact CD2-CD1 4.27Å; L325-I394 HydrophobicContact CG-CD1 4.12Å; I326-I394 HydrophobicContact CG1-CD1 4.2Å; V329-I394 HydrophobicContact CB-CD1 4.24Å; V329-I394 HydrophobicContact CG1-CD1 4.31Å; V329-I394 HydrophobicContact CG2-CD1 4.03Å; L371-I394 HydrophobicContact CB-CB 4.37Å; L371-I394 HydrophobicContact CB-CG2 4.14Å; L371-I394 WeakPolarHBondContact CB-O 3.27Å; L371-I394 HydrophobicContact CD2-CG2 3.87Å; L371-I394 PolarHBondContact N-O 3.41Å; Y372-I394 PolarHBondContact N-O 3.22Å; Y372-I394 PolarHBondContact O-N 3.01Å; I394-T396 HydrophobicContact CG2-CG2 4.4Å; I394-I414 HydrophobicContact CG1-CD1 4.49Å; I394-L416 HydrophobicContact CG2-CD1 3.48Å; I394-L416 VanDerWaalsContact CG2-CD1 3.48Å; I394-L416 HydrophobicContact CG2-CG 4.1Å
395L98.8Very high97.3Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-102.7132.7171.5-61169.9000109.4A363 T369 L370 V404 V413 I414 T415 L416A363-L395 HydrophobicContact CB-CD1 3.56Å; A363-L395 HydrophobicContact CB-CD2 4.25Å; A363-L395 HydrophobicContact CB-CG 4.5Å; T369-L395 WeakPolarHBondContact O-CA 3.18Å; L370-L395 HydrophobicContact CB-CD2 4.4Å; L370-L395 HydrophobicContact CD1-CD2 3.93Å; L395-V404 HydrophobicContact CD1-CG2 4.33Å; L395-V413 HydrophobicContact CD1-CG1 3.65Å; L395-V413 HydrophobicContact CG-CG1 4.17Å; L395-I414 WeakPolarHBondContact CB-O 3.42Å; L395-I414 PolarHBondContact N-O 3.49Å; L395-T415 HydrophobicContact CD1-CG2 4.33Å; L395-L416 PolarHBondContact O-N 3.12Å
396T98.3Very high97.5Very high22 Ų2235.2 Ų35.214%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-121.8177.6174.750.90000110.3A368 T369 L371 I394 C398 L416A368-T396 CarbonylContact C-O 3.59Å; A368-T396 WeakPolarHBondContact CA-O 3.49Å; T369-T396 PolarHBondContact N-O 3.38Å; T369-T396 PolarHBondContact O-N 3.48Å; T369-T396 PolarHBondContact O-OG1 2.97Å; L371-T396 HydrophobicContact CB-CG2 4.21Å; L371-T396 HydrophobicContact CD2-CG2 3.71Å; I394-T396 HydrophobicContact CG2-CG2 4.4Å; T396-C398 PolarHBondContact O-N 3.44Å; T396-C398 VanDerWaalsContact O-N 3.16Å; T396-L416 HydrophobicContact CG2-CB 4.02Å; T396-L416 HydrophobicContact CG2-CD1 3.77Å; T396-L416 HydrophobicContact CG2-CG 4.46Å
397N96.9Very high97.8Very high115 Ų11536.5 Ų36.562%0.61518%0.183SC*.SBendtrans55.329.1-173.4-61.7-34.6000112T369 M402T369-N397 PolarHBondContact OG1-ND2 2.79Å; N397-M402 WeakPolarHBondContact O-CE 3.45Å
398C97.9Very high97.9Very high15 Ų1535.1 Ų35.110%0.10118%0.175CC..  trans-77.8144.1177-64.10000110.5T396 M402 V405 L417T396-C398 PolarHBondContact O-N 3.44Å; T396-C398 VanDerWaalsContact O-N 3.16Å; C398-M402 HydrophobicContact CB-SD 4.04Å; C398-V405 HydrophobicContact CB-CG2 4.07Å; C398-L417 HydrophobicContact CB-CD2 4.26Å; C398-L417 HydrophobicContact CB-CG 4.05Å
399H96.4Very high97.9Very high91 Ų9135.3 Ų35.342%0.42118%0.176SC..  trans-124.8155.9172.762.559.7000111N401 M402H399-N401 PolarHBondContact ND1-N 3.15Å; H399-N401 PolarHBondContact O-N 3.47Å; H399-M402 VanDerWaalsContact CD2-CE 3.42Å; H399-M402 WeakPolarHBondContact CD2-CE 3.32Å; H399-M402 WeakPolarHBondContact CE1-CG 3.4Å; H399-M402 WeakPolarHBondContact ND1-CG 3.14Å; H399-M402 PolarHBondContact ND1-N 2.94Å; H399-M402 WeakPolarHBondContact O-CB 3.49Å; H399-M402 WeakPolarHBondContact O-CG 3.39Å; H399-M402 PolarHBondContact O-N 3.46Å
400D97.6Very high97.9Very high40 Ų4036.6 Ų36.621%0.21418%0.181CC..THydrogen-bonded Turntrans-57.8-24.2-169.2-59.9-20000113.8M402 K406 L417 R428D400-M402 VanDerWaalsContact C-N 3.35Å; D400-M402 PolarHBondContact O-N 2.87Å; D400-K406 VanDerWaalsContact O-CE 3.32Å; D400-K406 WeakPolarHBondContact O-CE 3.48Å; D400-L417 WeakPolarHBondContact OD1-CD2 3.4Å; D400-R428 IonicContact OD1-CZ 2.94Å; D400-R428 IonicContact OD1-NE 3.48Å; D400-R428 PolarHBondContact OD1-NE 3.33Å; D400-R428 IonicContact OD1-NH2 3.72Å; D400-R428 PolarHBondContact OD1-NH2 3.48Å; D400-R428 IonicContact OD2-CZ 3.58Å; D400-R428 IonicContact OD2-NE 3.63Å; D400-R428 PolarHBondContact OD2-NE 2.88Å; D400-R428 IonicContact OD2-NH2 3.62Å
401N97.2Very high97.9Very high117 Ų11736.5 Ų36.563%0.62618%0.181SC*.THydrogen-bonded Turntrans-79.3-8.2177.5-75.4-41.9000116.1H399 K406H399-N401 PolarHBondContact ND1-N 3.15Å; H399-N401 PolarHBondContact O-N 3.47Å; N401-K406 PolarHBondContact OD1-NZ 2.97Å
402M98.4Very high98Very high1 Ų135.7 Ų35.71%0.00518%0.176CC..SBendtrans-70.2146-176.5-68.2-175.6179.800112.1E366 A368 N397 C398 H399 D400 V404 V405 K406E366-M402 HydrophobicContact CB-CE 4.47Å; E366-M402 HydrophobicContact CB-CG 4.15Å; E366-M402 WeakPolarHBondContact O-CE 3.42Å; E366-M402 WeakPolarHBondContact OE2-CA 3.49Å; E366-M402 VanDerWaalsContact OE2-CB 3.32Å; E366-M402 WeakPolarHBondContact OE2-CB 3.5Å; A368-M402 HydrophobicContact CB-CE 4.11Å; A368-M402 HydrophobicContact CB-SD 3.94Å; N397-M402 WeakPolarHBondContact O-CE 3.45Å; C398-M402 HydrophobicContact CB-SD 4.04Å; H399-M402 VanDerWaalsContact CD2-CE 3.42Å; H399-M402 WeakPolarHBondContact CD2-CE 3.32Å; H399-M402 WeakPolarHBondContact CE1-CG 3.4Å; H399-M402 WeakPolarHBondContact ND1-CG 3.14Å; H399-M402 PolarHBondContact ND1-N 2.94Å; H399-M402 WeakPolarHBondContact O-CB 3.49Å; H399-M402 WeakPolarHBondContact O-CG 3.39Å; H399-M402 PolarHBondContact O-N 3.46Å; D400-M402 VanDerWaalsContact C-N 3.35Å; D400-M402 PolarHBondContact O-N 2.87Å; M402-V404 VanDerWaalsContact C-N 3.28Å; M402-V404 HydrophobicContact CB-CG2 4.03Å; M402-V404 PolarHBondContact O-N 3.35Å; M402-V404 HydrophobicContact SD-CG2 4.46Å; M402-V405 HydrophobicContact CB-CB 4.4Å; M402-V405 HydrophobicContact CB-CG2 4.04Å; M402-V405 PolarHBondContact O-N 3.05Å; M402-K406 PolarHBondContact O-N 3.09Å
403K98.1Very high98Very high85 Ų8535.5 Ų35.537%0.3718%0.175SC..Hα-helixtrans-56.2-44177.1-171.7179.1-177.6176.50111.9Y359 E366 V405 K406 E407Y359-K403 HydrophobicContact CD1-CD 4.43Å; Y359-K403 HydrophobicContact CD1-CG 4.37Å; Y359-K403 HydrophobicContact CE1-CD 4.13Å; Y359-K403 HydrophobicContact CE1-CG 4.01Å; E366-K403 WeakPolarHBondContact OE1-CB 3.5Å; E366-K403 PolarHBondContact OE2-N 2.98Å; K403-V405 PolarHBondContact O-N 3.49Å; K403-K406 PolarHBondContact O-N 3.15Å; K403-E407 VanDerWaalsContact CE-OE1 3.25Å; K403-E407 WeakPolarHBondContact CE-OE1 3.37Å; K403-E407 WeakPolarHBondContact CE-OE2 3.47Å; K403-E407 HydrophobicContact CG-CG 4.21Å; K403-E407 IonicContact NZ-OE2 3.77Å; K403-E407 WeakPolarHBondContact O-CB 3.41Å; K403-E407 PolarHBondContact O-N 2.96Å
404V98.2Very high98Very high0 Ų035.5 Ų35.50%018%0.175CC..Hα-helixtrans-66.9-16.2177.2-70.90000114.4K275 Y359 A363 L395 M402 I409 T415K275-V404 WeakPolarHBondContact CE-O 3.48Å; K275-V404 PolarHBondContact NZ-O 3.33Å; Y359-V404 HydrophobicContact CD1-CG1 4.03Å; Y359-V404 HydrophobicContact CG-CG1 4.45Å; Y359-V404 WeakPolarHBondContact O-CG1 3.38Å; A363-V404 HydrophobicContact CB-CB 4.29Å; A363-V404 HydrophobicContact CB-CG1 3.81Å; A363-V404 HydrophobicContact CB-CG2 3.55Å; L395-V404 HydrophobicContact CD1-CG2 4.33Å; M402-V404 VanDerWaalsContact C-N 3.28Å; M402-V404 HydrophobicContact CB-CG2 4.03Å; M402-V404 PolarHBondContact O-N 3.35Å; M402-V404 HydrophobicContact SD-CG2 4.46Å; V404-I409 HydrophobicContact CB-CD1 4.01Å; V404-I409 HydrophobicContact CG1-CD1 4Å; V404-T415 HydrophobicContact CB-CG2 4.05Å; V404-T415 HydrophobicContact CG2-CG2 3.87Å
405V98.3Very high98Very high5 Ų535.5 Ų35.53%0.0318%0.175CC..Hα-helixtrans-90.7-34.7174.7179.60000110.3K275 R310 C398 M402 K403 T415 L417K275-V405 WeakPolarHBondContact CE-O 3.43Å; K275-V405 WeakPolarHBondContact CG-O 3.13Å; R310-V405 WeakPolarHBondContact CD-O 3.34Å; R310-V405 HydrophobicContact CG-CG1 4.08Å; C398-V405 HydrophobicContact CB-CG2 4.07Å; M402-V405 HydrophobicContact CB-CB 4.4Å; M402-V405 HydrophobicContact CB-CG2 4.04Å; M402-V405 PolarHBondContact O-N 3.05Å; K403-V405 PolarHBondContact O-N 3.49Å; V405-T415 HydrophobicContact CG2-CG2 4.25Å; V405-L417 HydrophobicContact CG1-CD2 4.43Å; V405-L417 HydrophobicContact CG2-CD2 4.36Å
406K97.9Very high98Very high104 Ų10436 Ų3645%0.45218%0.178SC..Hα-helixtrans-83.2-40.2-178.8-69.3179.5172.2168.10114.3D400 N401 M402 K403D400-K406 VanDerWaalsContact O-CE 3.32Å; D400-K406 WeakPolarHBondContact O-CE 3.48Å; N401-K406 PolarHBondContact OD1-NZ 2.97Å; M402-K406 PolarHBondContact O-N 3.09Å; K403-K406 PolarHBondContact O-N 3.15Å
407E97.6Very high98Very high76 Ų7635.2 Ų35.236%0.35517%0.173SC..SBendtrans-100.9150.2-171.3-64.2-178.3-163.800113.2K275 Y359 K403 I409K275-E407 WeakPolarHBondContact CD-O 3.36Å; K275-E407 WeakPolarHBondContact CE-O 3.19Å; K275-E407 PolarHBondContact NZ-O 3.26Å; Y359-E407 HydrophobicContact CE1-CB 3.9Å; Y359-E407 VanDerWaalsContact CE1-OE2 3.28Å; Y359-E407 WeakPolarHBondContact CE1-OE2 3.4Å; Y359-E407 PolarHBondContact OH-OE2 2.81Å; K403-E407 VanDerWaalsContact CE-OE1 3.25Å; K403-E407 WeakPolarHBondContact CE-OE1 3.37Å; K403-E407 WeakPolarHBondContact CE-OE2 3.47Å; K403-E407 HydrophobicContact CG-CG 4.21Å; K403-E407 IonicContact NZ-OE2 3.77Å; K403-E407 WeakPolarHBondContact O-CB 3.41Å; K403-E407 PolarHBondContact O-N 2.96Å; E407-I409 PolarHBondContact O-N 2.86Å
408E97.7Very high98Very high43 Ų4334 Ų3420%0.20116%0.163CC..  trans-71.5115.5173.2-171.6178.3-12700110.9G273 G274 F410G273-E408 VanDerWaalsContact CA-OE1 3.28Å; G273-E408 WeakPolarHBondContact CA-OE1 3.41Å; G274-E408 PolarHBondContact N-OE1 2.89Å; G274-E408 WeakPolarHBondContact O-CB 3.34Å; G274-E408 WeakPolarHBondContact O-CG 3.19Å; E408-F410 HydrophobicContact CG-CB 4.26Å; E408-F410 HydrophobicContact CG-CD2 4.05Å
409I97.9Very high98.1Very high4 Ų433.3 Ų33.32%0.02116%0.158CC..  trans-79.2-41.8177.7-57.8170.8000110V356 Y359 V404 E407 V413V356-I409 HydrophobicContact CB-CG2 4.5Å; V356-I409 HydrophobicContact CG1-CG2 4.09Å; V356-I409 HydrophobicContact CG2-CG2 4.27Å; Y359-I409 HydrophobicContact CD1-CG1 4.13Å; Y359-I409 HydrophobicContact CD2-CB 4.29Å; Y359-I409 HydrophobicContact CD2-CG1 4.27Å; Y359-I409 HydrophobicContact CD2-CG2 3.96Å; Y359-I409 HydrophobicContact CG-CB 4.41Å; Y359-I409 HydrophobicContact CG-CG1 3.92Å; Y359-I409 HydrophobicContact CG-CG2 4.17Å; V404-I409 HydrophobicContact CB-CD1 4.01Å; V404-I409 HydrophobicContact CG1-CD1 4Å; E407-I409 PolarHBondContact O-N 2.86Å; I409-V413 HydrophobicContact CD1-CB 3.9Å; I409-V413 HydrophobicContact CD1-CG1 3.89Å; I409-V413 HydrophobicContact CG2-CB 4.42Å; I409-V413 HydrophobicContact CG2-CG2 4.08Å
410F97.8Very high98.2Very high27 Ų2732.6 Ų32.612%0.11816%0.158CC..  trans59.650.1-175.9-144.7-105.7000112.7W173 N174 G302 Q303 H352 E408W173-F410 AromaticContact CH2-CD1 3.51Å; W173-F410 HydrophobicContact CH2-CD1 3.51Å; W173-F410 AromaticContact CH2-CE1 3.31Å; W173-F410 HydrophobicContact CH2-CE1 3.31Å; W173-F410 AromaticContact CZ2-CD1 3.56Å; W173-F410 HydrophobicContact CZ2-CD1 3.56Å; W173-F410 AromaticContact CZ2-CE1 3.4Å; W173-F410 HydrophobicContact CZ2-CE1 3.4Å; W173-F410 HydrophobicContact CZ3-CE1 4.02Å; N174-F410 HydrophobicContact CB-CE1 4.16Å; N174-F410 HydrophobicContact CB-CZ 4.17Å; N174-F410 WeakPolarHBondContact ND2-CZ 3.41Å; G302-F410 CarbonylContact O-C 3.52Å; Q303-F410 VanDerWaalsContact C-CZ 3.49Å; Q303-F410 HydrophobicContact CB-CD1 3.84Å; Q303-F410 HydrophobicContact CB-CE1 3.69Å; Q303-F410 HydrophobicContact CB-CZ 4.43Å; Q303-F410 HydrophobicContact CG-CD1 4.24Å; Q303-F410 WeakPolarHBondContact O-CZ 3.34Å; H352-F410 PolarHBondContact CE1-O 3.31Å; H352-F410 PolarHBondContact NE2-O 3.06Å; E408-F410 HydrophobicContact CG-CB 4.26Å; E408-F410 HydrophobicContact CG-CD2 4.05Å
411G98.3Very high98.2Very high1 Ų133.8 Ų33.81%0.0117%0.167CC..SBendtrans-162.3177.7-179.800000110.4Q301 G302 V413Q301-G411 CarbonylContact O-C 3.54Å; Q301-G411 VanDerWaalsContact O-C 3.29Å; Q301-G411 WeakPolarHBondContact O-CA 3.5Å; G302-G411 PolarHBondContact O-N 3.35Å; G411-V413 PolarHBondContact O-N 2.9Å
412P98.1Very high98.3Very high0 Ų029.7 Ų29.70%014%0.143CC..SBendtrans-83.764.6-166.933.8-33.7000111F298 Q301 M344 I390 C393F298-P412 HydrophobicContact CD1-CB 3.66Å; F298-P412 HydrophobicContact CE1-CB 4.07Å; Q301-P412 WeakPolarHBondContact O-CD 3.43Å; Q301-P412 VanDerWaalsContact O-N 3.09Å; M344-P412 HydrophobicContact CE-CB 4.17Å; M344-P412 HydrophobicContact CE-CG 4.06Å; M344-P412 HydrophobicContact SD-CB 3.58Å; M344-P412 VanDerWaalsContact SD-CB 3.58Å; M344-P412 HydrophobicContact SD-CG 4Å; I390-P412 HydrophobicContact CG2-CG 3.35Å; C393-P412 PolarHBondContact N-O 3.28Å
413V98.7Very high98.3Very high0 Ų036.2 Ų36.20%017%0.174CC..EExtended strand (participates in β ladder)trans-128.7116.3-174.3-173.60000110.6V356 I360 C393 L395 I409 G411V356-V413 HydrophobicContact CG1-CG2 3.8Å; I360-V413 HydrophobicContact CD1-CG2 3.99Å; I360-V413 HydrophobicContact CG1-CG1 4.4Å; I360-V413 HydrophobicContact CG1-CG2 4.02Å; C393-V413 HydrophobicContact CB-CB 4.22Å; C393-V413 HydrophobicContact CB-CG1 4.1Å; C393-V413 HydrophobicContact CB-CG2 3.91Å; L395-V413 HydrophobicContact CD1-CG1 3.65Å; L395-V413 HydrophobicContact CG-CG1 4.17Å; I409-V413 HydrophobicContact CD1-CB 3.9Å; I409-V413 HydrophobicContact CD1-CG1 3.89Å; I409-V413 HydrophobicContact CG2-CB 4.42Å; I409-V413 HydrophobicContact CG2-CG2 4.08Å; G411-V413 PolarHBondContact O-N 2.9Å
414I98.6Very high98.3Very high0 Ų034.2 Ų34.20%017%0.166CC..EExtended strand (participates in β ladder)trans-91.1133.9171.6-63.4176.7000109.3T293 N297 F298 V311 L325 C393 I394 L395 L416T293-I414 HydrophobicContact CG2-CD1 3.85Å; N297-I414 HydrophobicContact CB-CD1 3.94Å; N297-I414 HydrophobicContact CB-CG1 3.57Å; N297-I414 VanDerWaalsContact CG-CG1 3.49Å; F298-I414 HydrophobicContact CE1-CD1 4.43Å; F298-I414 HydrophobicContact CE1-CG1 4.4Å; F298-I414 HydrophobicContact CE2-CD1 3.59Å; F298-I414 HydrophobicContact CE2-CG1 4.38Å; F298-I414 HydrophobicContact CZ-CD1 3.43Å; F298-I414 VanDerWaalsContact CZ-CD1 3.43Å; F298-I414 HydrophobicContact CZ-CG1 3.82Å; V311-I414 HydrophobicContact CB-CG2 4Å; V311-I414 HydrophobicContact CG2-CG2 3.7Å; L325-I414 HydrophobicContact CD1-CD1 4.4Å; L325-I414 HydrophobicContact CD2-CD1 4.16Å; C393-I414 PolarHBondContact O-N 3.45Å; I394-I414 HydrophobicContact CG1-CD1 4.49Å; L395-I414 WeakPolarHBondContact CB-O 3.42Å; L395-I414 PolarHBondContact N-O 3.49Å; I414-L416 HydrophobicContact CG2-CD2 3.94Å; I414-L416 HydrophobicContact CG2-CG 3.86Å
415T98.7Very high98.3Very high0 Ų034.2 Ų34.20%017%0.166CC..EExtended strand (participates in β ladder)trans-102.6116.815959.10000108.8A309 V311 L395 V404 V405A309-T415 PolarHBondContact O-N 3.13Å; A309-T415 PolarHBondContact O-OG1 3.19Å; V311-T415 PolarHBondContact N-O 2.98Å; L395-T415 HydrophobicContact CD1-CG2 4.33Å; V404-T415 HydrophobicContact CB-CG2 4.05Å; V404-T415 HydrophobicContact CG2-CG2 3.87Å; V405-T415 HydrophobicContact CG2-CG2 4.25Å
416L98.4Very high98.3Very high11 Ų1134.5 Ų34.56%0.05817%0.168CC..EExtended strand (participates in β ladder)trans-93125.6175.9-72.7174.2000109.9V311 V313 F321 T322 L325 I394 L395 T396 I414V311-L416 HydrophobicContact CB-CD2 3.84Å; V311-L416 HydrophobicContact CG1-CD2 3.7Å; V311-L416 WeakPolarHBondContact O-CA 3.39Å; V313-L416 HydrophobicContact CG2-CD2 4.23Å; F321-L416 HydrophobicContact CE1-CD2 4.02Å; T322-L416 HydrophobicContact CG2-CD1 4.1Å; L325-L416 HydrophobicContact CD2-CD1 4.17Å; L325-L416 HydrophobicContact CD2-CD2 4.09Å; I394-L416 HydrophobicContact CG2-CD1 3.48Å; I394-L416 VanDerWaalsContact CG2-CD1 3.48Å; I394-L416 HydrophobicContact CG2-CG 4.1Å; L395-L416 PolarHBondContact O-N 3.12Å; T396-L416 HydrophobicContact CG2-CB 4.02Å; T396-L416 HydrophobicContact CG2-CD1 3.77Å; T396-L416 HydrophobicContact CG2-CG 4.46Å; I414-L416 HydrophobicContact CG2-CD2 3.94Å; I414-L416 HydrophobicContact CG2-CG 3.86Å
417L98.6Very high98.3Very high5 Ų536.7 Ų36.73%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-129.1145.5177.1-58100.3000109.6R310 V311 F312 V313 C398 D400 V405R310-L417 HydrophobicContact CB-CD1 4.48Å; V311-L417 PolarHBondContact O-N 3.39Å; F312-L417 CarbonylContact C-O 3.51Å; F312-L417 VanDerWaalsContact CA-O 3.25Å; F312-L417 WeakPolarHBondContact CA-O 3.46Å; F312-L417 HydrophobicContact CD1-CB 3.63Å; F312-L417 HydrophobicContact CD1-CD1 4.38Å; F312-L417 HydrophobicContact CD1-CG 4.44Å; F312-L417 HydrophobicContact CE1-CB 3.82Å; F312-L417 HydrophobicContact CE1-CD1 4.08Å; F312-L417 HydrophobicContact CE1-CD2 4.06Å; F312-L417 HydrophobicContact CE1-CG 4.2Å; F312-L417 HydrophobicContact CZ-CD1 4.36Å; V313-L417 PolarHBondContact N-O 2.86Å; C398-L417 HydrophobicContact CB-CD2 4.26Å; C398-L417 HydrophobicContact CB-CG 4.05Å; D400-L417 WeakPolarHBondContact OD1-CD2 3.4Å; V405-L417 HydrophobicContact CG1-CD2 4.43Å; V405-L417 HydrophobicContact CG2-CD2 4.36Å
418E98.5Very high98.4Very high89 Ų8934.1 Ų34.142%0.41616%0.16SC..EExtended strand (participates in β ladder)trans-99.3151.5175.6-64179.9-172.100111.7V313 R315 A318 R428V313-E418 VanDerWaalsContact O-CA 3.29Å; V313-E418 WeakPolarHBondContact O-CA 3.09Å; R315-E418 IonicContact CZ-OE2 2.88Å; R315-E418 VanDerWaalsContact CZ-OE2 3.3Å; R315-E418 IonicContact NE-OE2 2.89Å; R315-E418 PolarHBondContact NE-OE2 3.31Å; R315-E418 IonicContact NH2-OE2 3.86Å; R315-E418 PolarHBondContact NH2-OE2 3Å; A318-E418 HydrophobicContact CB-CG 3.91Å; E418-R428 PolarHBondContact O-NH1 2.99Å
419F98.6Very high98.4Very high0 Ų032.1 Ų32.10%015%0.151CC..EExtended strand (participates in β ladder)trans-142.2167.317273.6-84.6000111.5I279 M281 F312 V313 H314 R315 T421 I425I279-F419 HydrophobicContact CG2-CE1 4.08Å; I279-F419 HydrophobicContact CG2-CZ 3.82Å; M281-F419 HydrophobicContact CE-CE2 4.32Å; M281-F419 HydrophobicContact SD-CE2 3.97Å; M281-F419 HydrophobicContact SD-CZ 3.68Å; F312-F419 HydrophobicContact CB-CD1 3.88Å; F312-F419 HydrophobicContact CB-CE1 4.18Å; V313-F419 VanDerWaalsContact C-CD1 3.43Å; V313-F419 WeakPolarHBondContact O-CD1 3.46Å; V313-F419 PolarHBondContact O-N 2.82Å; V313-F419 VanDerWaalsContact O-N 3.15Å; H314-F419 HydrophobicContact CB-CE1 4.05Å; H314-F419 HydrophobicContact CB-CE2 4.19Å; H314-F419 HydrophobicContact CB-CZ 3.77Å; H314-F419 AromaticContact CD2-CE2 3.76Å; R315-F419 PolarHBondContact N-O 3.3Å; F419-T421 WeakPolarHBondContact CD2-O 3.23Å; F419-I425 HydrophobicContact CB-CB 4.33Å; F419-I425 HydrophobicContact CB-CD1 4.43Å; F419-I425 HydrophobicContact CD1-CB 4.38Å; F419-I425 HydrophobicContact CD1-CD1 4.11Å; F419-I425 HydrophobicContact CD1-CG1 4.17Å; F419-I425 HydrophobicContact CD2-CB 3.58Å; F419-I425 HydrophobicContact CD2-CG1 4.21Å; F419-I425 HydrophobicContact CD2-CG2 3.9Å; F419-I425 HydrophobicContact CE1-CG1 4.26Å; F419-I425 HydrophobicContact CE2-CB 3.87Å; F419-I425 HydrophobicContact CE2-CG1 4.32Å; F419-I425 HydrophobicContact CE2-CG2 3.74Å; F419-I425 HydrophobicContact CG-CB 3.85Å; F419-I425 HydrophobicContact CG-CD1 4.2Å; F419-I425 HydrophobicContact CG-CG1 4.13Å; F419-I425 HydrophobicContact CZ-CB 4.39Å; F419-I425 HydrophobicContact CZ-CG1 4.34Å; F419-I425 HydrophobicContact CZ-CG2 4.33Å
420N98.6Very high98.4Very high77 Ų7733.2 Ų33.241%0.41216%0.157SC..  trans-119.2-28.2-177.6-59.2-82.7000115.1H314 R315 E424H314-N420 PolarHBondContact NE2-O 3.37Å; R315-N420 WeakPolarHBondContact CD-OD1 3.49Å; N420-E424 PolarHBondContact N-OE2 2.76Å
421T98.5Very high98.4Very high65 Ų6537.1 Ų37.140%0.39918%0.179SC..  trans-135.5156.8-172.761.80000112F419 E423 E424 I425F419-T421 WeakPolarHBondContact CD2-O 3.23Å; T421-E423 VanDerWaalsContact C-N 3.31Å; T421-E423 PolarHBondContact O-N 3.06Å; T421-E424 PolarHBondContact O-N 3.09Å; T421-E424 WeakPolarHBondContact OG1-CB 3.41Å; T421-E424 PolarHBondContact OG1-N 3.17Å; T421-I425 WeakPolarHBondContact O-CG2 3.31Å; T421-I425 PolarHBondContact O-N 3.5Å; T421-I425 VanDerWaalsContact O-N 3.1Å
422E98.1Very high98.4Very high30 Ų3038 Ų3814%0.1419%0.185CC..Hα-helixtrans-59.8-43175.9-173.3174.4139.200110.7I425 V426 R450 I451E422-I425 WeakPolarHBondContact O-CG2 3.47Å; E422-I425 PolarHBondContact O-N 3.02Å; E422-V426 WeakPolarHBondContact O-CG2 3.29Å; E422-V426 PolarHBondContact O-N 3.07Å; E422-R450 WeakPolarHBondContact OE1-CB 3.49Å; E422-R450 IonicContact OE1-CZ 2.63Å; E422-R450 IonicContact OE1-NE 3.62Å; E422-R450 PolarHBondContact OE1-NE 2.83Å; E422-R450 IonicContact OE1-NH2 2.87Å; E422-R450 IonicContact OE2-CZ 2.71Å; E422-R450 IonicContact OE2-NE 2.78Å; E422-R450 IonicContact OE2-NH2 3.3Å; E422-R450 PolarHBondContact OE2-NH2 3.4Å; E422-I451 HydrophobicContact CG-CD1 4.09Å; E422-I451 HydrophobicContact CG-CG1 3.78Å
423E98.3Very high98.3Very high138 Ų13844.4 Ų44.465%0.64522%0.215SC*.Hα-helixtrans-65.6-42.9-179.5-61.872.9-159.800111.7T421 R427T421-E423 VanDerWaalsContact C-N 3.31Å; T421-E423 PolarHBondContact O-N 3.06Å; E423-R427 PolarHBondContact O-N 3.18Å; E423-R427 VanDerWaalsContact O-N 3.15Å
424E98.4Very high98.3Very high43 Ų4345.8 Ų45.820%0.20122%0.221CC..Hα-helixtrans-59.8-48.7175.7-176.3-156.9152.800110.8N420 T421 R427 R428N420-E424 PolarHBondContact N-OE2 2.76Å; T421-E424 PolarHBondContact O-N 3.09Å; T421-E424 WeakPolarHBondContact OG1-CB 3.41Å; T421-E424 PolarHBondContact OG1-N 3.17Å; E424-R427 PolarHBondContact O-N 2.96Å; E424-R428 HydrophobicContact CG-CG 4.46Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 3.47Å; E424-R428 WeakPolarHBondContact OE1-CD 3.42Å; E424-R428 IonicContact OE1-CZ 2.72Å; E424-R428 IonicContact OE1-NH1 2.6Å; E424-R428 PolarHBondContact OE1-NH1 3.36Å
425I98.4Very high98.3Very high0 Ų045.9 Ų45.90%022%0.222CC..Hα-helixtrans-71.7-35.5-174-172.153.4000112.5I279 F312 F419 T421 E422 R427 R428 S429I279-I425 HydrophobicContact CB-CG1 4.32Å; I279-I425 HydrophobicContact CD1-CG1 3.77Å; I279-I425 HydrophobicContact CG1-CD1 4.15Å; I279-I425 HydrophobicContact CG1-CG1 3.64Å; I279-I425 HydrophobicContact CG2-CG1 3.79Å; I279-I425 HydrophobicContact CG2-CG2 4.33Å; F312-I425 HydrophobicContact CB-CD1 3.32Å; F312-I425 HydrophobicContact CB-CG1 4.27Å; F312-I425 HydrophobicContact CD1-CD1 3.5Å; F312-I425 HydrophobicContact CD2-CD1 3.71Å; F312-I425 HydrophobicContact CE1-CD1 4.17Å; F312-I425 HydrophobicContact CE2-CD1 4.33Å; F312-I425 HydrophobicContact CG-CD1 3.24Å; F419-I425 HydrophobicContact CB-CB 4.33Å; F419-I425 HydrophobicContact CB-CD1 4.43Å; F419-I425 HydrophobicContact CD1-CB 4.38Å; F419-I425 HydrophobicContact CD1-CD1 4.11Å; F419-I425 HydrophobicContact CD1-CG1 4.17Å; F419-I425 HydrophobicContact CD2-CB 3.58Å; F419-I425 HydrophobicContact CD2-CG1 4.21Å; F419-I425 HydrophobicContact CD2-CG2 3.9Å; F419-I425 HydrophobicContact CE1-CG1 4.26Å; F419-I425 HydrophobicContact CE2-CB 3.87Å; F419-I425 HydrophobicContact CE2-CG1 4.32Å; F419-I425 HydrophobicContact CE2-CG2 3.74Å; F419-I425 HydrophobicContact CG-CB 3.85Å; F419-I425 HydrophobicContact CG-CD1 4.2Å; F419-I425 HydrophobicContact CG-CG1 4.13Å; F419-I425 HydrophobicContact CZ-CB 4.39Å; F419-I425 HydrophobicContact CZ-CG1 4.34Å; F419-I425 HydrophobicContact CZ-CG2 4.33Å; T421-I425 WeakPolarHBondContact O-CG2 3.31Å; T421-I425 PolarHBondContact O-N 3.5Å; T421-I425 VanDerWaalsContact O-N 3.1Å; E422-I425 WeakPolarHBondContact O-CG2 3.47Å; E422-I425 PolarHBondContact O-N 3.02Å; I425-R427 VanDerWaalsContact C-N 3.35Å; I425-R428 PolarHBondContact O-N 3.18Å; I425-S429 WeakPolarHBondContact O-CB 3.42Å; I425-S429 PolarHBondContact O-N 3.48Å; I425-S429 PolarHBondContact O-OG 3.13Å
426V98.6Very high98.2Very high11 Ų1145.9 Ų45.97%0.06722%0.222CC..Hα-helixtrans-60-47.3172.2167.30000110.1E422 S429 N430 I451 Q454E422-V426 WeakPolarHBondContact O-CG2 3.29Å; E422-V426 PolarHBondContact O-N 3.07Å; V426-S429 PolarHBondContact O-N 3.4Å; V426-N430 WeakPolarHBondContact O-CB 3.42Å; V426-N430 PolarHBondContact O-N 2.97Å; V426-N430 PolarHBondContact O-ND2 3.43Å; V426-I451 HydrophobicContact CG2-CG1 4.4Å; V426-Q454 HydrophobicContact CG1-CB 3.66Å; V426-Q454 HydrophobicContact CG2-CB 4.27Å
427R98.5Very high98.2Very high150 Ų15045.4 Ų45.457%0.56622%0.219SC*.Hα-helixtrans-59.5-50.1177.8-174.5-174.364.577.72.6111.8E423 E424 I425 S429 N430 D431E423-R427 PolarHBondContact O-N 3.18Å; E423-R427 VanDerWaalsContact O-N 3.15Å; E424-R427 PolarHBondContact O-N 2.96Å; I425-R427 VanDerWaalsContact C-N 3.35Å; R427-S429 PolarHBondContact O-N 3.48Å; R427-N430 PolarHBondContact O-N 2.99Å; R427-D431 PolarHBondContact O-N 3.46Å
428R98.3Very high98.2Very high22 Ų2245.1 Ų45.18%0.08322%0.218CC..Hα-helixtrans-68.3-33.3-178.4-68.3176.269.1-162-6.8112.8R310 F312 D400 E418 E424 I425 D431R310-R428 PolarHBondContact NH1-O 3.18Å; F312-R428 HydrophobicContact CE1-CB 4.34Å; D400-R428 IonicContact OD1-CZ 2.94Å; D400-R428 IonicContact OD1-NE 3.48Å; D400-R428 PolarHBondContact OD1-NE 3.33Å; D400-R428 IonicContact OD1-NH2 3.72Å; D400-R428 PolarHBondContact OD1-NH2 3.48Å; D400-R428 IonicContact OD2-CZ 3.58Å; D400-R428 IonicContact OD2-NE 3.63Å; D400-R428 PolarHBondContact OD2-NE 2.88Å; D400-R428 IonicContact OD2-NH2 3.62Å; E418-R428 PolarHBondContact O-NH1 2.99Å; E424-R428 HydrophobicContact CG-CG 4.46Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 3.47Å; E424-R428 WeakPolarHBondContact OE1-CD 3.42Å; E424-R428 IonicContact OE1-CZ 2.72Å; E424-R428 IonicContact OE1-NH1 2.6Å; E424-R428 PolarHBondContact OE1-NH1 3.36Å; I425-R428 PolarHBondContact O-N 3.18Å; R428-D431 PolarHBondContact O-N 3.15Å
429S98.4Very high98.2Very high2 Ų240.9 Ų40.91%0.01420%0.198CC..Hα-helixtrans-65.4-42.1174.8-65.60000111.4R310 I425 V426 R427R310-S429 PolarHBondContact NH2-O 3.16Å; I425-S429 WeakPolarHBondContact O-CB 3.42Å; I425-S429 PolarHBondContact O-N 3.48Å; I425-S429 PolarHBondContact O-OG 3.13Å; V426-S429 PolarHBondContact O-N 3.4Å; R427-S429 PolarHBondContact O-N 3.48Å
430N98.2Very high98.2Very high27 Ų2740.9 Ų40.914%0.14420%0.198CC..Hα-helixtrans-77.7-18.5179.4-74.3-21.7000114.5V426 R427 S432 Q454 L455 Q456 K478V426-N430 WeakPolarHBondContact O-CB 3.42Å; V426-N430 PolarHBondContact O-N 2.97Å; V426-N430 PolarHBondContact O-ND2 3.43Å; R427-N430 PolarHBondContact O-N 2.99Å; N430-S432 PolarHBondContact O-N 3.47Å; N430-Q454 PolarHBondContact ND2-O 3.39Å; N430-L455 WeakPolarHBondContact OD1-CA 3.19Å; N430-Q456 HydrophobicContact CB-CG 4.5Å; N430-Q456 PolarHBondContact OD1-N 3.02Å; N430-K478 PolarHBondContact O-NZ 3.03Å
431D97.7Very high98.2Very high109 Ų10937.5 Ų37.558%0.58318%0.179SC*.  trans-72.866.9172.9-167.420.3000111.1R427 R428R427-D431 PolarHBondContact O-N 3.46Å; R428-D431 PolarHBondContact O-N 3.15Å
432S97.1Very high98.2Very high18 Ų1834.4 Ų34.413%0.12616%0.16CC..SBendtrans-150.2142.5176.5-173.60000109N430 F434 K478N430-S432 PolarHBondContact O-N 3.47Å; S432-F434 PolarHBondContact O-N 3.42Å; S432-F434 PolarHBondContact OG-N 3.39Å; S432-K478 WeakPolarHBondContact O-CD 3.13Å; S432-K478 PolarHBondContact O-NZ 3.43Å
433E97.1Very high98.3Very high136 Ų13638.8 Ų38.864%0.63618%0.181SC*.SBendtrans-69.3-16.7170.5-59.4-172.898.900112.1K478 L479E433-K478 WeakPolarHBondContact O-CB 3.45Å; E433-L479 HydrophobicContact CB-CD1 3.69Å; E433-L479 HydrophobicContact CB-CG 4.16Å; E433-L479 HydrophobicContact CG-CD1 4.46Å; E433-L479 WeakPolarHBondContact O-CB 3.45Å; E433-L479 PolarHBondContact O-N 3.15Å
434F98.3Very high98.3Very high29 Ų2935.6 Ų35.613%0.12717%0.169CC..EExtended strand (participates in β ladder)trans-97.1156.4178.8-61-78000111.6V251 G273 K275 S432 L479V251-F434 HydrophobicContact CG2-CE1 3.67Å; V251-F434 HydrophobicContact CG2-CZ 4.33Å; G273-F434 VanDerWaalsContact O-CD1 3.26Å; G273-F434 WeakPolarHBondContact O-CD1 3.43Å; K275-F434 HydrophobicContact CB-CB 4.37Å; K275-F434 HydrophobicContact CB-CD2 3.8Å; K275-F434 HydrophobicContact CB-CG 4.37Å; S432-F434 PolarHBondContact O-N 3.42Å; S432-F434 PolarHBondContact OG-N 3.39Å; F434-L479 HydrophobicContact CD1-CB 4.2Å; F434-L479 HydrophobicContact CE1-CB 4.26Å
435G97.9Very high98.2Very high1 Ų138.6 Ų38.61%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-154.441.5-17900000111.9Q456 C457 G458 G476 Y477 S480G435-Q456 WeakPolarHBondContact CA-O 3.28Å; G435-C457 VanDerWaalsContact O-CA 3.31Å; G435-C457 WeakPolarHBondContact O-CA 3.25Å; G435-G458 PolarHBondContact O-N 3.47Å; G435-G476 CarbonylContact O-C 3.5Å; G435-G476 WeakPolarHBondContact O-CA 3.28Å; G435-Y477 PolarHBondContact N-O 2.89Å; G435-Y477 PolarHBondContact O-N 3.35Å; G435-S480 PolarHBondContact N-OG 3.3Å
436L98.3Very high98.3Very high1 Ų141.2 Ų41.21%0.00521%0.207CC..SBendtrans-77.1-67-179.2-175.456.5000111.3C305 G458 S459 F474 S480C305-L436 VanDerWaalsContact C-CD2 3.45Å; C305-L436 HydrophobicContact CB-CD2 3.54Å; C305-L436 WeakPolarHBondContact O-CD2 3.18Å; L436-G458 PolarHBondContact O-N 2.93Å; L436-G458 VanDerWaalsContact O-N 3.16Å; L436-S459 PolarHBondContact O-N 3.33Å; L436-F474 HydrophobicContact CD1-CE1 3.9Å; L436-F474 HydrophobicContact CD1-CZ 3.97Å; L436-F474 HydrophobicContact CD2-CE1 4.4Å; L436-F474 HydrophobicContact CD2-CZ 4.08Å; L436-F474 HydrophobicContact CG-CE1 4.49Å; L436-F474 HydrophobicContact CG-CZ 4.12Å; L436-S480 PolarHBondContact N-OG 3.06Å; L436-S480 VanDerWaalsContact N-OG 3.13Å
437A98.2Very high98.3Very high0 Ų041.3 Ų41.30%021%0.208CC..EExtended strand (participates in β ladder)trans-132.5167.2-17800000112.9S276 P277 C457 S459 Y461S276-A437 WeakPolarHBondContact CA-O 2.99Å; S276-A437 WeakPolarHBondContact CB-O 3.49Å; S276-A437 PolarHBondContact OG-O 3.38Å; P277-A437 WeakPolarHBondContact CD-O 3.44Å; A437-C457 PolarHBondContact O-SG 3.39Å; A437-C457 VanDerWaalsContact O-SG 3.38Å; A437-S459 CarbonylContact C-O 3.53Å; A437-S459 WeakPolarHBondContact CA-O 3.5Å; A437-Y461 HydrophobicContact CB-CE2 3.94Å
438G98.2Very high98.2Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-154.9161.9168.300000111P277 S459 I460 Y461P277-G438 CarbonylContact O-C 3.59Å; P277-G438 VanDerWaalsContact O-CA 3.3Å; P277-G438 WeakPolarHBondContact O-CA 3.41Å; G438-S459 PolarHBondContact N-O 3.37Å; G438-I460 CarbonylContact O-C 3.58Å; G438-I460 WeakPolarHBondContact O-CA 3.46Å; G438-Y461 WeakPolarHBondContact O-CD2 3.49Å; G438-Y461 PolarHBondContact O-N 3.07Å
439G98.4Very high98.2Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-138.2148.5178.800000112.8P277 I279 Y461P277-G439 PolarHBondContact O-N 2.89Å; I279-G439 PolarHBondContact N-O 3.4Å; G439-Y461 CarbonylContact C-O 3.56Å; G439-Y461 VanDerWaalsContact CA-O 3.24Å; G439-Y461 WeakPolarHBondContact CA-O 3.42Å
440V98.8Very high98.2Very high0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-135.6130.7173.1620000111.1I279 M281 T442 A448 I451 Y461 I462 N463I279-V440 HydrophobicContact CB-CB 4.45Å; I279-V440 HydrophobicContact CB-CG2 4.34Å; I279-V440 HydrophobicContact CG2-CG2 4.39Å; I279-V440 CarbonylContact O-C 3.59Å; I279-V440 WeakPolarHBondContact O-CA 3.46Å; M281-V440 HydrophobicContact CG-CG2 4.11Å; V440-T442 HydrophobicContact CG2-CG2 4.14Å; V440-A448 HydrophobicContact CG1-CB 4.15Å; V440-I451 HydrophobicContact CB-CG2 4.41Å; V440-I451 HydrophobicContact CG2-CD1 3.99Å; V440-I451 HydrophobicContact CG2-CG2 4.4Å; V440-Y461 PolarHBondContact N-O 2.89Å; V440-I462 HydrophobicContact CG1-CB 4.36Å; V440-I462 HydrophobicContact CG1-CG1 3.75Å; V440-I462 HydrophobicContact CG1-CG2 4.46Å; V440-I462 WeakPolarHBondContact O-CA 3.45Å; V440-N463 PolarHBondContact O-N 3.45Å
441F98.9Very high98.3Very high5 Ų542.9 Ų42.92%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-111.5120.2171.8-79-99.4000109.2L278 I279 I280 M281 A284 E288 A289 N463L278-F441 HydrophobicContact CD1-CD2 3.79Å; L278-F441 HydrophobicContact CD1-CE2 3.75Å; I279-F441 PolarHBondContact O-N 3.11Å; I280-F441 HydrophobicContact CD1-CB 3.87Å; I280-F441 HydrophobicContact CD1-CD2 3.84Å; I280-F441 HydrophobicContact CD1-CG 4.06Å; M281-F441 WeakPolarHBondContact CB-O 3.31Å; M281-F441 PolarHBondContact N-O 3.35Å; A284-F441 HydrophobicContact CB-CB 4.12Å; A284-F441 WeakPolarHBondContact CB-O 3.24Å; E288-F441 WeakPolarHBondContact O-CE1 3.4Å; A289-F441 HydrophobicContact CB-CB 4.18Å; A289-F441 HydrophobicContact CB-CD1 4.11Å; A289-F441 HydrophobicContact CB-CG 4.19Å; F441-N463 WeakPolarHBondContact CA-OD1 3.29Å
442T98.8Very high98.3Very high0 Ų038.7 Ų38.70%020%0.197CC..  trans-164.6150-179.1179.30000109.5D283 V440 N444 A448 N463D283-T442 WeakPolarHBondContact OD1-CB 3.25Å; D283-T442 PolarHBondContact OD1-OG1 2.78Å; D283-T442 PolarHBondContact OD2-OG1 2.75Å; V440-T442 HydrophobicContact CG2-CG2 4.14Å; T442-N444 VanDerWaalsContact C-N 3.35Å; T442-N444 WeakPolarHBondContact CG2-O 3.36Å; T442-N444 PolarHBondContact OG1-N 2.85Å; T442-N444 VanDerWaalsContact OG1-N 3.16Å; T442-A448 HydrophobicContact CG2-CB 3.64Å; T442-N463 PolarHBondContact N-OD1 3.13Å; T442-N463 PolarHBondContact O-ND2 3Å; T442-N463 PolarHBondContact O-OD1 3.04Å
443Q98.6Very high98.3Very high122 Ų12242.5 Ų42.557%0.5722%0.224SC*.SBendtrans-85.8-13.1172.1-67.2-66.3-59.400111.8D283D283-Q443 WeakPolarHBondContact O-CG 3.44Å; D283-Q443 PolarHBondContact OD2-N 3.05Å; D283-Q443 VanDerWaalsContact OD2-N 3.11Å
444N98.4Very high98.4Very high72 Ų7240.3 Ų40.339%0.38521%0.213SC..  trans-92.6101.1175.9-172.4-26.1000111.8D283 T442 A446 T447 A448D283-N444 WeakPolarHBondContact OD2-CB 3.38Å; D283-N444 PolarHBondContact OD2-N 2.91Å; T442-N444 VanDerWaalsContact C-N 3.35Å; T442-N444 WeakPolarHBondContact CG2-O 3.36Å; T442-N444 PolarHBondContact OG1-N 2.85Å; T442-N444 VanDerWaalsContact OG1-N 3.16Å; N444-A446 VanDerWaalsContact C-N 3.27Å; N444-A446 PolarHBondContact O-N 2.97Å; N444-A446 WeakPolarHBondContact OD1-CB 3.25Å; N444-A446 PolarHBondContact OD1-N 3.45Å; N444-T447 VanDerWaalsContact CG-OG1 3.31Å; N444-T447 PolarHBondContact ND2-OG1 3.2Å; N444-T447 WeakPolarHBondContact O-CB 3.19Å; N444-T447 PolarHBondContact O-N 2.8Å; N444-T447 VanDerWaalsContact O-N 3.09Å; N444-T447 PolarHBondContact OD1-N 3.48Å; N444-T447 VanDerWaalsContact OD1-N 3.15Å; N444-A448 PolarHBondContact O-N 2.96Å
445L98.1Very high98.4Very high105 Ų10539.3 Ų39.355%0.5521%0.21SC..Hα-helixtrans-62.9-30.2178.8-65.8-179.4000113.4T447 A448 H449 I462L445-T447 VanDerWaalsContact C-N 3.3Å; L445-T447 PolarHBondContact O-N 3.36Å; L445-A448 WeakPolarHBondContact O-CB 3.29Å; L445-A448 PolarHBondContact O-N 3.49Å; L445-H449 PolarHBondContact O-CD2 3.47Å; L445-H449 VanDerWaalsContact O-CD2 3.22Å; L445-H449 PolarHBondContact O-N 3.26Å; L445-I462 HydrophobicContact CD2-CG2 4.46Å
446A98.5Very high98.4Very high56 Ų5643.7 Ų43.746%0.46323%0.23SC..Hα-helixtrans-64.5-39.6174.800000111N444 R450N444-A446 VanDerWaalsContact C-N 3.27Å; N444-A446 PolarHBondContact O-N 2.97Å; N444-A446 WeakPolarHBondContact OD1-CB 3.25Å; N444-A446 PolarHBondContact OD1-N 3.45Å; A446-R450 WeakPolarHBondContact O-CG 3.48Å; A446-R450 PolarHBondContact O-N 3.04Å; A446-R450 PolarHBondContact O-NH1 3.34Å
447T98.6Very high98.3Very high13 Ų1344.1 Ų44.18%0.0823%0.232CC..Hα-helixtrans-63.1-45.9171.1-61.40000111.5M281 N444 L445 H449 R450 I451M281-T447 HydrophobicContact CE-CG2 4.01Å; M281-T447 HydrophobicContact CG-CG2 4.39Å; N444-T447 VanDerWaalsContact CG-OG1 3.31Å; N444-T447 PolarHBondContact ND2-OG1 3.2Å; N444-T447 WeakPolarHBondContact O-CB 3.19Å; N444-T447 PolarHBondContact O-N 2.8Å; N444-T447 VanDerWaalsContact O-N 3.09Å; N444-T447 PolarHBondContact OD1-N 3.48Å; N444-T447 VanDerWaalsContact OD1-N 3.15Å; L445-T447 VanDerWaalsContact C-N 3.3Å; L445-T447 PolarHBondContact O-N 3.36Å; T447-H449 VanDerWaalsContact C-N 3.34Å; T447-H449 PolarHBondContact O-N 3.4Å; T447-R450 PolarHBondContact O-N 3.27Å; T447-R450 PolarHBondContact OG1-NH2 2.88Å; T447-I451 HydrophobicContact CG2-CD1 3.74Å; T447-I451 HydrophobicContact CG2-CG1 4.43Å; T447-I451 WeakPolarHBondContact O-CG1 3.45Å; T447-I451 PolarHBondContact O-N 3.02Å
448A98.4Very high98.3Very high0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-56.8-46.8177.200000112.2V440 T442 N444 L445 I451 A452 I462V440-A448 HydrophobicContact CG1-CB 4.15Å; T442-A448 HydrophobicContact CG2-CB 3.64Å; N444-A448 PolarHBondContact O-N 2.96Å; L445-A448 WeakPolarHBondContact O-CB 3.29Å; L445-A448 PolarHBondContact O-N 3.49Å; A448-I451 PolarHBondContact O-N 3.36Å; A448-A452 WeakPolarHBondContact O-CB 3.34Å; A448-A452 PolarHBondContact O-N 3.45Å; A448-I462 HydrophobicContact CB-CD1 3.98Å; A448-I462 HydrophobicContact CB-CG1 4.21Å; A448-I462 HydrophobicContact CB-CG2 3.64Å
449H98Very high98.2Very high128 Ų12845.7 Ų45.759%0.59325%0.247SC*.Hα-helixtrans-65.2-43.3178.6-86-85.8000112.8L445 T447 A452 S453L445-H449 PolarHBondContact O-CD2 3.47Å; L445-H449 VanDerWaalsContact O-CD2 3.22Å; L445-H449 PolarHBondContact O-N 3.26Å; T447-H449 VanDerWaalsContact C-N 3.34Å; T447-H449 PolarHBondContact O-N 3.4Å; H449-A452 PolarHBondContact O-N 3.07Å; H449-S453 WeakPolarHBondContact O-CB 3.31Å; H449-S453 PolarHBondContact O-N 3.46Å; H449-S453 PolarHBondContact O-OG 3.26Å
450R98.4Very high98.2Very high105 Ų10548.2 Ų48.240%0.39626%0.26SS..Hα-helixtrans-60.6-47.8176.1-76.4-166.4-49.7-84.7-2.1111.5E422 A446 T447 S453 Q454E422-R450 WeakPolarHBondContact OE1-CB 3.49Å; E422-R450 IonicContact OE1-CZ 2.63Å; E422-R450 IonicContact OE1-NE 3.62Å; E422-R450 PolarHBondContact OE1-NE 2.83Å; E422-R450 IonicContact OE1-NH2 2.87Å; E422-R450 IonicContact OE2-CZ 2.71Å; E422-R450 IonicContact OE2-NE 2.78Å; E422-R450 IonicContact OE2-NH2 3.3Å; E422-R450 PolarHBondContact OE2-NH2 3.4Å; A446-R450 WeakPolarHBondContact O-CG 3.48Å; A446-R450 PolarHBondContact O-N 3.04Å; A446-R450 PolarHBondContact O-NH1 3.34Å; T447-R450 PolarHBondContact O-N 3.27Å; T447-R450 PolarHBondContact OG1-NH2 2.88Å; R450-S453 PolarHBondContact O-N 3.27Å; R450-S453 PolarHBondContact O-OG 3.31Å; R450-Q454 WeakPolarHBondContact O-CG 3.42Å; R450-Q454 PolarHBondContact O-N 2.91Å; R450-Q454 PolarHBondContact O-NE2 3.19Å
451I98.7Very high98.2Very high0 Ų049.2 Ų49.20%026%0.264CS..Hα-helixtrans-62.3-51.2177.9-69172000109.7I279 M281 E422 V426 V440 T447 A448 S453 Q454 L455I279-I451 HydrophobicContact CD1-CG2 3.75Å; M281-I451 HydrophobicContact CE-CD1 4.12Å; M281-I451 HydrophobicContact CG-CD1 4.25Å; M281-I451 HydrophobicContact SD-CD1 3.66Å; E422-I451 HydrophobicContact CG-CD1 4.09Å; E422-I451 HydrophobicContact CG-CG1 3.78Å; V426-I451 HydrophobicContact CG2-CG1 4.4Å; V440-I451 HydrophobicContact CB-CG2 4.41Å; V440-I451 HydrophobicContact CG2-CD1 3.99Å; V440-I451 HydrophobicContact CG2-CG2 4.4Å; T447-I451 HydrophobicContact CG2-CD1 3.74Å; T447-I451 HydrophobicContact CG2-CG1 4.43Å; T447-I451 WeakPolarHBondContact O-CG1 3.45Å; T447-I451 PolarHBondContact O-N 3.02Å; A448-I451 PolarHBondContact O-N 3.36Å; I451-S453 VanDerWaalsContact C-N 3.28Å; I451-S453 PolarHBondContact O-N 3.49Å; I451-Q454 PolarHBondContact O-N 3.3Å; I451-L455 HydrophobicContact CG2-CD1 3.89Å; I451-L455 HydrophobicContact CG2-CG 4.05Å; I451-L455 WeakPolarHBondContact O-CG 3.35Å; I451-L455 PolarHBondContact O-N 2.91Å
452A98.2Very high98.1Very high22 Ų2251.8 Ų51.818%0.18228%0.277CS..Hα-helixtrans-55.7-41.3-178.800000112.7A448 H449 Q454 I460 I462A448-A452 WeakPolarHBondContact O-CB 3.34Å; A448-A452 PolarHBondContact O-N 3.45Å; H449-A452 PolarHBondContact O-N 3.07Å; A452-Q454 PolarHBondContact O-N 2.91Å; A452-I460 HydrophobicContact CB-CB 4.46Å; A452-I460 HydrophobicContact CB-CG2 3.75Å; A452-I462 HydrophobicContact CB-CD1 4.32Å
453S97.9Very high98.1Very high97 Ų9754.6 Ų54.668%0.67829%0.292SS*.Hα-helixtrans-67.2-22177.768.60000114.6H449 R450 I451H449-S453 WeakPolarHBondContact O-CB 3.31Å; H449-S453 PolarHBondContact O-N 3.46Å; H449-S453 PolarHBondContact O-OG 3.26Å; R450-S453 PolarHBondContact O-N 3.27Å; R450-S453 PolarHBondContact O-OG 3.31Å; I451-S453 VanDerWaalsContact C-N 3.28Å; I451-S453 PolarHBondContact O-N 3.49Å
454Q98.3Very high98Very high90 Ų9051.1 Ų51.142%0.42128%0.281SS..Hα-helixtrans-98.9-18.3-176.9-68.7176.781.800112.8V426 N430 R450 I451 A452V426-Q454 HydrophobicContact CG1-CB 3.66Å; V426-Q454 HydrophobicContact CG2-CB 4.27Å; N430-Q454 PolarHBondContact ND2-O 3.39Å; R450-Q454 WeakPolarHBondContact O-CG 3.42Å; R450-Q454 PolarHBondContact O-N 2.91Å; R450-Q454 PolarHBondContact O-NE2 3.19Å; I451-Q454 PolarHBondContact O-N 3.3Å; A452-Q454 PolarHBondContact O-N 2.91Å
455L98.4Very high98Very high9 Ų948 Ų485%0.04726%0.264CS..  trans-71.2129176.5-70.1-179.3000110.9I279 N430 I451 C457 I460I279-L455 HydrophobicContact CD1-CD1 4.17Å; I279-L455 HydrophobicContact CD1-CD2 4.31Å; N430-L455 WeakPolarHBondContact OD1-CA 3.19Å; I451-L455 HydrophobicContact CG2-CD1 3.89Å; I451-L455 HydrophobicContact CG2-CG 4.05Å; I451-L455 WeakPolarHBondContact O-CG 3.35Å; I451-L455 PolarHBondContact O-N 2.91Å; L455-C457 PolarHBondContact O-N 3.39Å; L455-I460 HydrophobicContact CB-CD1 3.69Å; L455-I460 HydrophobicContact CD1-CD1 3.77Å; L455-I460 HydrophobicContact CG-CD1 4.39Å
456Q98.1Very high97.7Very high93 Ų9343.7 Ų43.744%0.43524%0.242SC..  trans-86.958.2179.2-63.4174.8-14.700110.5N430 G435 Y477N430-Q456 HydrophobicContact CB-CG 4.5Å; N430-Q456 PolarHBondContact OD1-N 3.02Å; G435-Q456 WeakPolarHBondContact CA-O 3.28Å; Q456-Y477 HydrophobicContact CB-CD2 4.48Å
457C97.2Very high97.3Very high9 Ų944.9 Ų44.96%0.06124%0.243CC..  trans-128.8149177-44.90000110.5G435 A437 L455 I460 Y477G435-C457 VanDerWaalsContact O-CA 3.31Å; G435-C457 WeakPolarHBondContact O-CA 3.25Å; A437-C457 PolarHBondContact O-SG 3.39Å; A437-C457 VanDerWaalsContact O-SG 3.38Å; L455-C457 PolarHBondContact O-N 3.39Å; C457-I460 HydrophobicContact CB-CD1 3.69Å; C457-Y477 VanDerWaalsContact O-CE2 3.29Å; C457-Y477 WeakPolarHBondContact O-CE2 3.48Å
458G96.9Very high96.8Very high22 Ų2245.7 Ų45.723%0.22725%0.245CC..SBendtrans-78.3-23.1179.500000114.5G435 L436 G475G435-G458 PolarHBondContact O-N 3.47Å; L436-G458 PolarHBondContact O-N 2.93Å; L436-G458 VanDerWaalsContact O-N 3.16Å; G458-G475 CarbonylContact C-O 3.49Å; G458-G475 WeakPolarHBondContact CA-O 3.4Å
459S97.1Very high96.5Very high12 Ų1248.7 Ų48.78%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-125.7125.6175.4-58.40000111.5L436 A437 G438L436-S459 PolarHBondContact O-N 3.33Å; A437-S459 CarbonylContact C-O 3.53Å; A437-S459 WeakPolarHBondContact CA-O 3.5Å; G438-S459 PolarHBondContact N-O 3.37Å
460I97.9Very high96.4Very high53 Ų5344 Ų4427%0.27225%0.245SC..EExtended strand (participates in β ladder)trans-121.8130177-57.3-64.1000110.6G438 A452 L455 C457G438-I460 CarbonylContact O-C 3.58Å; G438-I460 WeakPolarHBondContact O-CA 3.46Å; A452-I460 HydrophobicContact CB-CB 4.46Å; A452-I460 HydrophobicContact CB-CG2 3.75Å; L455-I460 HydrophobicContact CB-CD1 3.69Å; L455-I460 HydrophobicContact CD1-CD1 3.77Å; L455-I460 HydrophobicContact CG-CD1 4.39Å; C457-I460 HydrophobicContact CB-CD1 3.69Å
461Y98.1Very high96.2Very high21 Ų2140.6 Ų40.68%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-102.6132.5174.7-50.8-81.9000110.8A437 G438 G439 V440 S464 Y465 V467A437-Y461 HydrophobicContact CB-CE2 3.94Å; G438-Y461 WeakPolarHBondContact O-CD2 3.49Å; G438-Y461 PolarHBondContact O-N 3.07Å; G439-Y461 CarbonylContact C-O 3.56Å; G439-Y461 VanDerWaalsContact CA-O 3.24Å; G439-Y461 WeakPolarHBondContact CA-O 3.42Å; V440-Y461 PolarHBondContact N-O 2.89Å; Y461-S464 WeakPolarHBondContact CB-O 3.39Å; Y461-Y465 HydrophobicContact CD2-CD1 4.36Å; Y461-Y465 AromaticContact CD2-CD2 3.61Å; Y461-Y465 HydrophobicContact CD2-CD2 3.61Å; Y461-Y465 HydrophobicContact CD2-CE1 4.25Å; Y461-Y465 AromaticContact CD2-CE2 3.48Å; Y461-Y465 HydrophobicContact CD2-CE2 3.48Å; Y461-Y465 VanDerWaalsContact CD2-CE2 3.48Å; Y461-Y465 HydrophobicContact CD2-CG 4.06Å; Y461-Y465 AromaticContact CD2-CZ 3.79Å; Y461-Y465 HydrophobicContact CE2-CD1 4.36Å; Y461-Y465 HydrophobicContact CE2-CD2 4.35Å; Y461-Y465 HydrophobicContact CE2-CE1 4.05Å; Y461-Y465 HydrophobicContact CE2-CE2 4.05Å; Y461-Y465 HydrophobicContact CE2-CG 4.49Å; Y461-Y465 AromaticContact CE2-CZ 3.85Å; Y461-Y465 HydrophobicContact CG-CD2 4.09Å; Y461-Y465 HydrophobicContact CG-CE2 4.38Å; Y461-Y465 HydrophobicContact CG-CG 4.44Å; Y461-V467 WeakPolarHBondContact CE1-O 3.46Å
462I98.3Very high96.1Very high58 Ų5844.7 Ų44.730%0.29726%0.264SS..EExtended strand (participates in β ladder)trans-115.1122.4174.6-63.1171.7000107.8V440 L445 A448 A452 S464V440-I462 HydrophobicContact CG1-CB 4.36Å; V440-I462 HydrophobicContact CG1-CG1 3.75Å; V440-I462 HydrophobicContact CG1-CG2 4.46Å; V440-I462 WeakPolarHBondContact O-CA 3.45Å; L445-I462 HydrophobicContact CD2-CG2 4.46Å; A448-I462 HydrophobicContact CB-CD1 3.98Å; A448-I462 HydrophobicContact CB-CG1 4.21Å; A448-I462 HydrophobicContact CB-CG2 3.64Å; A452-I462 HydrophobicContact CB-CD1 4.32Å; I462-S464 PolarHBondContact O-N 3.41Å; I462-S464 VanDerWaalsContact O-N 3.09Å
463N98.1Very high96Very high59 Ų5946.2 Ų46.232%0.31627%0.272SS..SBendtrans52.829.2179.8-63.6-34.3000114.2V440 F441 T442V440-N463 PolarHBondContact O-N 3.45Å; F441-N463 WeakPolarHBondContact CA-OD1 3.29Å; T442-N463 PolarHBondContact N-OD1 3.13Å; T442-N463 PolarHBondContact O-ND2 3Å; T442-N463 PolarHBondContact O-OD1 3.04Å
464S97.1Very high96Very high49 Ų4942.2 Ų42.234%0.34324%0.243SC..  trans-161.5175.8176.1-171.70000109Y461 I462 V467Y461-S464 WeakPolarHBondContact CB-O 3.39Å; I462-S464 PolarHBondContact O-N 3.41Å; I462-S464 VanDerWaalsContact O-N 3.09Å; S464-V467 VanDerWaalsContact OG-CG2 3.32Å; S464-V467 WeakPolarHBondContact OG-CG2 3.32Å
465Y97.2Very high95.9Very high7 Ų738 Ų383%0.02722%0.223CC..  trans-158.2151.4171.4-148.2-88.4000112.2S276 L278 A296 S306 A308 Y461 V467S276-Y465 VanDerWaalsContact CB-OH 3.28Å; S276-Y465 WeakPolarHBondContact CB-OH 3.09Å; L278-Y465 HydrophobicContact CD1-CD2 3.81Å; L278-Y465 HydrophobicContact CD1-CE2 4.09Å; A296-Y465 VanDerWaalsContact CA-CD1 3.45Å; A296-Y465 HydrophobicContact CB-CD1 3.32Å; A296-Y465 HydrophobicContact CB-CD2 4.08Å; A296-Y465 HydrophobicContact CB-CE1 3.77Å; A296-Y465 HydrophobicContact CB-CE2 4.45Å; A296-Y465 HydrophobicContact CB-CG 3.51Å; S306-Y465 WeakPolarHBondContact O-CE1 2.8Å; S306-Y465 PolarHBondContact O-OH 2.79Å; A308-Y465 HydrophobicContact CB-CE1 3.93Å; A308-Y465 HydrophobicContact CB-CE2 3.74Å; A308-Y465 VanDerWaalsContact CB-CZ 3.4Å; A308-Y465 VanDerWaalsContact CB-OH 3.29Å; A308-Y465 WeakPolarHBondContact CB-OH 3.48Å; Y461-Y465 HydrophobicContact CD2-CD1 4.36Å; Y461-Y465 AromaticContact CD2-CD2 3.61Å; Y461-Y465 HydrophobicContact CD2-CD2 3.61Å; Y461-Y465 HydrophobicContact CD2-CE1 4.25Å; Y461-Y465 AromaticContact CD2-CE2 3.48Å; Y461-Y465 HydrophobicContact CD2-CE2 3.48Å; Y461-Y465 VanDerWaalsContact CD2-CE2 3.48Å; Y461-Y465 HydrophobicContact CD2-CG 4.06Å; Y461-Y465 AromaticContact CD2-CZ 3.79Å; Y461-Y465 HydrophobicContact CE2-CD1 4.36Å; Y461-Y465 HydrophobicContact CE2-CD2 4.35Å; Y461-Y465 HydrophobicContact CE2-CE1 4.05Å; Y461-Y465 HydrophobicContact CE2-CE2 4.05Å; Y461-Y465 HydrophobicContact CE2-CG 4.49Å; Y461-Y465 AromaticContact CE2-CZ 3.85Å; Y461-Y465 HydrophobicContact CG-CD2 4.09Å; Y461-Y465 HydrophobicContact CG-CE2 4.38Å; Y461-Y465 HydrophobicContact CG-CG 4.44Å; Y465-V467 PolarHBondContact O-N 3.27Å
466N92Very high95.8Very high15 Ų1537.6 Ų37.68%0.0822%0.221CC..SBendtrans55.231.8179.4-75-20.5000114.3M295 S306 Y468M295-N466 PolarHBondContact O-ND2 2.94Å; S306-N466 PolarHBondContact OG-OD1 2.98Å; N466-Y468 HydrophobicContact CB-CE1 4.28Å; N466-Y468 WeakPolarHBondContact O-CE1 3.4Å
467V89.6Confident95.7Very high80 Ų8038 Ų3849%0.48522%0.22SC..  trans-103.4111.6173.7178.60000109.3Y461 S464 Y465Y461-V467 WeakPolarHBondContact CE1-O 3.46Å; S464-V467 VanDerWaalsContact OG-CG2 3.32Å; S464-V467 WeakPolarHBondContact OG-CG2 3.32Å; Y465-V467 PolarHBondContact O-N 3.27Å
468Y88.6Confident95.7Very high31 Ų3141.7 Ų41.712%0.12224%0.235CC..  trans-139.262.5-177.941-98.4000111.7W182 N466 N486W182-Y468 AromaticContact CH2-CD2 3.84Å; W182-Y468 HydrophobicContact CH2-CD2 3.84Å; W182-Y468 HydrophobicContact CH2-CE2 4.37Å; W182-Y468 HydrophobicContact CH2-CG 4.3Å; W182-Y468 AromaticContact CZ2-CD2 3.74Å; W182-Y468 HydrophobicContact CZ2-CD2 3.74Å; W182-Y468 HydrophobicContact CZ2-CE2 4.29Å; N466-Y468 HydrophobicContact CB-CE1 4.28Å; N466-Y468 WeakPolarHBondContact O-CE1 3.4Å; Y468-N486 PolarHBondContact O-ND2 3.43Å
469P92.4Very high95.8Very high63 Ų6342.9 Ų42.941%0.40924%0.235SC..  trans-54.2152.3172.126.6-36.6000110.8G471 I472 N486P469-G471 PolarHBondContact O-N 3.5Å; P469-I472 HydrophobicContact CG-CD1 3.72Å; P469-I472 HydrophobicContact CG-CG1 4.21Å; P469-I472 PolarHBondContact O-N 2.91Å; P469-N486 PolarHBondContact O-ND2 2.7Å
470P95.4Very high95.9Very high29 Ų2942.3 Ų42.319%0.18823%0.231CC..THydrogen-bonded Turntrans-52.5135174.6-2837.4000111.8A127 D130 S131 L134A127-P470 VanDerWaalsContact O-CG 3.28Å; A127-P470 WeakPolarHBondContact O-CG 3.43Å; D130-P470 HydrophobicContact CB-CG 3.85Å; S131-P470 WeakPolarHBondContact OG-CG 3.26Å; L134-P470 HydrophobicContact CB-CB 4.43Å; L134-P470 HydrophobicContact CD2-CB 3.7Å
471G95.4Very high95.9Very high34 Ų3440.1 Ų40.135%0.35122%0.222SC..THydrogen-bonded Turntrans108.7-17.4-179.500000114L134 P469 N486 S487L134-G471 VanDerWaalsContact CD2-N 3.26Å; P469-G471 PolarHBondContact O-N 3.5Å; G471-N486 WeakPolarHBondContact CA-O 3.24Å; G471-N486 PolarHBondContact N-O 2.89Å; G471-S487 WeakPolarHBondContact O-CB 3.33Å
472I96.2Very high95.8Very high86 Ų8643.7 Ų43.744%0.44124%0.238SC..SBendtrans-87.1123.8172.8-57-174.1000109.1P469 F474 N486P469-I472 HydrophobicContact CG-CD1 3.72Å; P469-I472 HydrophobicContact CG-CG1 4.21Å; P469-I472 PolarHBondContact O-N 2.91Å; I472-F474 PolarHBondContact O-N 3.15Å; I472-N486 PolarHBondContact O-ND2 3.23Å
473P96.7Very high95.8Very high54 Ų5442.3 Ų42.335%0.35124%0.238SC..  trans-63.2127.217825.5-33.2000110R484 S487P473-R484 HydrophobicContact CB-CB 4.24Å; P473-R484 HydrophobicContact CB-CG 4.19Å; P473-S487 VanDerWaalsContact CA-OG 3.3Å; P473-S487 WeakPolarHBondContact CA-OG 3.33Å; P473-S487 WeakPolarHBondContact CB-OG 3.27Å
474F97.6Very high95.7Very high13 Ų1342.4 Ų42.46%0.05723%0.234CC..BIsolated β-bridgetrans-111.5133173.2-171.3-93.6000109.5W182 E271 L436 I472 R484 E485 N486W182-F474 HydrophobicContact CH2-CB 4.25Å; W182-F474 HydrophobicContact CH2-CG 4.28Å; W182-F474 HydrophobicContact CZ3-CB 4.06Å; W182-F474 AromaticContact CZ3-CD1 3.92Å; W182-F474 HydrophobicContact CZ3-CD1 3.92Å; W182-F474 HydrophobicContact CZ3-CG 4.03Å; E271-F474 WeakPolarHBondContact OE2-CD1 3.09Å; E271-F474 VanDerWaalsContact OE2-CE1 3.29Å; E271-F474 WeakPolarHBondContact OE2-CE1 3.49Å; L436-F474 HydrophobicContact CD1-CE1 3.9Å; L436-F474 HydrophobicContact CD1-CZ 3.97Å; L436-F474 HydrophobicContact CD2-CE1 4.4Å; L436-F474 HydrophobicContact CD2-CZ 4.08Å; L436-F474 HydrophobicContact CG-CE1 4.49Å; L436-F474 HydrophobicContact CG-CZ 4.12Å; I472-F474 PolarHBondContact O-N 3.15Å; F474-R484 CarbonylContact O-C 3.54Å; F474-R484 VanDerWaalsContact O-CA 3.28Å; F474-R484 WeakPolarHBondContact O-CA 3.42Å; F474-E485 PolarHBondContact N-O 3.43Å; F474-E485 PolarHBondContact O-N 2.92Å; F474-N486 HydrophobicContact CB-CB 4.4Å
475G96Very high95.7Very high0 Ų040.1 Ų40.10%022%0.218CC..  trans165.8170.3171.800000113.5E271 G458E271-G475 WeakPolarHBondContact OE1-CA 3.37Å; E271-G475 VanDerWaalsContact OE2-CA 3.29Å; E271-G475 WeakPolarHBondContact OE2-CA 3.3Å; G458-G475 CarbonylContact C-O 3.49Å; G458-G475 WeakPolarHBondContact CA-O 3.4Å
476G96.2Very high95.7Very high2 Ų239.8 Ų39.82%0.02122%0.217CC..  trans-107.1175.8-17100000115.9G435 G481 R484G435-G476 CarbonylContact O-C 3.5Å; G435-G476 WeakPolarHBondContact O-CA 3.28Å; G476-G481 CarbonylContact C-O 3.48Å; G476-R484 PolarHBondContact O-NH1 3.18Å
477Y95.8Very high95.9Very high102 Ų10239.1 Ų39.140%0.421%0.213SC..EExtended strand (participates in β ladder)trans-114.5172.2163-57.6-13.3000109.8G435 Q456 C457 L479 S480 R484G435-Y477 PolarHBondContact N-O 2.89Å; G435-Y477 PolarHBondContact O-N 3.35Å; Q456-Y477 HydrophobicContact CB-CD2 4.48Å; C457-Y477 VanDerWaalsContact O-CE2 3.29Å; C457-Y477 WeakPolarHBondContact O-CE2 3.48Å; Y477-L479 PolarHBondContact O-N 3.27Å; Y477-S480 WeakPolarHBondContact O-CA 3.45Å; Y477-S480 VanDerWaalsContact O-CB 3.24Å; Y477-S480 WeakPolarHBondContact O-CB 3.47Å; Y477-S480 PolarHBondContact O-N 2.87Å; Y477-R484 VanDerWaalsContact CE1-NH2 3.34Å
478K97.9Very high96.3Very high86 Ų8638.2 Ų38.237%0.37421%0.208SC..EExtended strand (participates in β ladder)trans55.9-134172.8-51.7175.7178.51750111.8N430 S432 E433 S480 G481N430-K478 PolarHBondContact O-NZ 3.03Å; S432-K478 WeakPolarHBondContact O-CD 3.13Å; S432-K478 PolarHBondContact O-NZ 3.43Å; E433-K478 WeakPolarHBondContact O-CB 3.45Å; K478-S480 PolarHBondContact O-N 3.31Å; K478-G481 PolarHBondContact O-N 3.16Å
479L98Very high96.6Very high46 Ų4640.2 Ų40.224%0.24122%0.221CC..THydrogen-bonded Turntrans-71.1-7.4176.5-63.2-171.1000113.7V251 L272 E433 F434 Y477 G481V251-L479 HydrophobicContact CG1-CD1 4.48Å; V251-L479 HydrophobicContact CG1-CD2 4.45Å; V251-L479 HydrophobicContact CG2-CB 4.21Å; L272-L479 WeakPolarHBondContact CB-O 3.31Å; L272-L479 VanDerWaalsContact CD1-O 3.3Å; L272-L479 WeakPolarHBondContact CD1-O 3.37Å; E433-L479 HydrophobicContact CB-CD1 3.69Å; E433-L479 HydrophobicContact CB-CG 4.16Å; E433-L479 HydrophobicContact CG-CD1 4.46Å; E433-L479 WeakPolarHBondContact O-CB 3.45Å; E433-L479 PolarHBondContact O-N 3.15Å; F434-L479 HydrophobicContact CD1-CB 4.2Å; F434-L479 HydrophobicContact CE1-CB 4.26Å; Y477-L479 PolarHBondContact O-N 3.27Å; L479-G481 PolarHBondContact O-N 3.15Å
480S98.5Very high96.9Very high0 Ų037.3 Ų37.30%020%0.202CC..THydrogen-bonded Turntrans-77.61.7173.7-60.40000113.4L272 G273 G435 L436 Y477 K478L272-S480 PolarHBondContact N-O 2.84Å; G273-S480 WeakPolarHBondContact O-CB 3.26Å; G273-S480 PolarHBondContact O-OG 2.84Å; G435-S480 PolarHBondContact N-OG 3.3Å; L436-S480 PolarHBondContact N-OG 3.06Å; L436-S480 VanDerWaalsContact N-OG 3.13Å; Y477-S480 WeakPolarHBondContact O-CA 3.45Å; Y477-S480 VanDerWaalsContact O-CB 3.24Å; Y477-S480 WeakPolarHBondContact O-CB 3.47Å; Y477-S480 PolarHBondContact O-N 2.87Å; K478-S480 PolarHBondContact O-N 3.31Å
481G98Very high97Very high8 Ų836 Ų368%0.08219%0.193CC..EExtended strand (participates in β ladder)trans97.5-158.8171.800000113.3L270 G476 K478 L479L270-G481 CarbonylContact O-C 3.53Å; L270-G481 WeakPolarHBondContact O-CA 3.28Å; G476-G481 CarbonylContact C-O 3.48Å; K478-G481 PolarHBondContact O-N 3.16Å; L479-G481 PolarHBondContact O-N 3.15Å
482F97.4Very high97.1Very high95 Ų9537 Ų3742%0.41719%0.19SC..EExtended strand (participates in β ladder)trans-159.6160.6-175.163.4-96.1000111.7L258 S268 L270L258-F482 HydrophobicContact CD1-CE1 4.15Å; L258-F482 HydrophobicContact CD2-CE1 3.91Å; L258-F482 HydrophobicContact CD2-CZ 3.71Å; S268-F482 VanDerWaalsContact O-CE2 3.23Å; S268-F482 WeakPolarHBondContact O-CE2 3.2Å; L270-F482 HydrophobicContact CD1-CD1 4.23Å; L270-F482 HydrophobicContact CD1-CE1 3.73Å; L270-F482 HydrophobicContact CD1-CZ 4.3Å; L270-F482 HydrophobicContact CG-CE1 4.21Å; L270-F482 HydrophobicContact CG-CZ 4.43Å; L270-F482 PolarHBondContact N-O 2.94Å; L270-F482 PolarHBondContact O-N 3.42Å
483G97Very high97.1Very high29 Ų2934.5 Ų34.530%0.29918%0.182SC..SBendtrans88.2177.4-165.900000111
484R97.4Very high97.2Very high61 Ų6132 Ų3223%0.2317%0.166CC..  trans-135.7145.1-178.7-60.1-63.4172.6-109.9-1.4111.4P473 F474 G476 Y477 D489 T490P473-R484 HydrophobicContact CB-CB 4.24Å; P473-R484 HydrophobicContact CB-CG 4.19Å; F474-R484 CarbonylContact O-C 3.54Å; F474-R484 VanDerWaalsContact O-CA 3.28Å; F474-R484 WeakPolarHBondContact O-CA 3.42Å; G476-R484 PolarHBondContact O-NH1 3.18Å; Y477-R484 VanDerWaalsContact CE1-NH2 3.34Å; R484-D489 HydrophobicContact CB-CB 3.91Å; R484-D489 HydrophobicContact CG-CB 4.28Å; R484-T490 WeakPolarHBondContact O-CA 3.32Å; R484-T490 WeakPolarHBondContact O-CB 3.48Å; R484-T490 WeakPolarHBondContact O-CG2 3.37Å; R484-T490 PolarHBondContact O-OG1 3.39Å
485E97.1Very high97.2Very high1 Ų131.8 Ų31.81%0.00517%0.166CC..BIsolated β-bridgetrans-111.1172.9171.4-57.1-15414900110.8W182 K183 S246 T269 E271 F474 S487 T490W182-E485 HydrophobicContact CE3-CB 3.96Å; K183-E485 VanDerWaalsContact NZ-CD 3.29Å; K183-E485 IonicContact NZ-OE1 3.32Å; K183-E485 PolarHBondContact NZ-OE1 3.16Å; K183-E485 IonicContact NZ-OE2 3.96Å; K183-E485 PolarHBondContact NZ-OE2 3.07Å; S246-E485 PolarHBondContact OG-OE1 2.66Å; T269-E485 HydrophobicContact CG2-CG 4.3Å; E271-E485 HydrophobicContact CG-CG 3.65Å; F474-E485 PolarHBondContact N-O 3.43Å; F474-E485 PolarHBondContact O-N 2.92Å; E485-S487 VanDerWaalsContact C-N 3.26Å; E485-S487 PolarHBondContact O-N 2.97Å; E485-S487 VanDerWaalsContact O-N 3.09Å; E485-S487 PolarHBondContact O-OG 3Å; E485-T490 WeakPolarHBondContact CA-OG1 3.17Å; E485-T490 PolarHBondContact N-OG1 2.79Å; E485-T490 PolarHBondContact O-OG1 3.35Å
486N96.4Very high97.3Very high0 Ų035.6 Ų35.60%018%0.184CC..SBendtrans67.22171.3-164.650000117.9W182 Y468 P469 G471 I472 F474 T490W182-N486 HydrophobicContact CD2-CB 3.97Å; W182-N486 VanDerWaalsContact CE2-OD1 3.26Å; W182-N486 HydrophobicContact CE3-CB 4.18Å; W182-N486 HydrophobicContact CH2-CB 3.99Å; W182-N486 HydrophobicContact CZ2-CB 3.76Å; W182-N486 VanDerWaalsContact CZ2-CG 3.42Å; W182-N486 WeakPolarHBondContact CZ2-OD1 3.41Å; W182-N486 HydrophobicContact CZ3-CB 4.19Å; W182-N486 PolarHBondContact NE1-OD1 2.95Å; W182-N486 VanDerWaalsContact NE1-OD1 3.09Å; Y468-N486 PolarHBondContact O-ND2 3.43Å; P469-N486 PolarHBondContact O-ND2 2.7Å; G471-N486 WeakPolarHBondContact CA-O 3.24Å; G471-N486 PolarHBondContact N-O 2.89Å; I472-N486 PolarHBondContact O-ND2 3.23Å; F474-N486 HydrophobicContact CB-CB 4.4Å; N486-T490 PolarHBondContact N-OG1 3.42Å
487S96.7Very high97.3Very high1 Ų140 Ų401%0.00721%0.206CC..SBendtrans-141.5-179.5-172.363.60000114F135 G471 P473 E485 D489 T490 L491F135-S487 VanDerWaalsContact CE1-O 3.3Å; F135-S487 WeakPolarHBondContact CE1-O 3.43Å; F135-S487 WeakPolarHBondContact CZ-O 3.16Å; G471-S487 WeakPolarHBondContact O-CB 3.33Å; P473-S487 VanDerWaalsContact CA-OG 3.3Å; P473-S487 WeakPolarHBondContact CA-OG 3.33Å; P473-S487 WeakPolarHBondContact CB-OG 3.27Å; E485-S487 VanDerWaalsContact C-N 3.26Å; E485-S487 PolarHBondContact O-N 2.97Å; E485-S487 VanDerWaalsContact O-N 3.09Å; E485-S487 PolarHBondContact O-OG 3Å; S487-D489 PolarHBondContact O-N 3.41Å; S487-D489 PolarHBondContact OG-N 2.94Å; S487-D489 PolarHBondContact OG-OD2 2.65Å; S487-T490 PolarHBondContact N-OG1 3.34Å; S487-T490 WeakPolarHBondContact O-CB 3.42Å; S487-T490 PolarHBondContact O-N 3.42Å; S487-T490 PolarHBondContact O-OG1 2.83Å; S487-L491 PolarHBondContact O-N 3.2Å
488V96.6Very high97.4Very high61 Ų6138.9 Ų38.937%0.3720%0.204SC..Hα-helixtrans-56.8-33.8173.969.30000111.8F138 T490 L491 L492F138-V488 HydrophobicContact CE2-CB 4.13Å; F138-V488 HydrophobicContact CZ-CB 4.03Å; V488-T490 PolarHBondContact O-N 3.42Å; V488-L491 WeakPolarHBondContact O-CA 3.37Å; V488-L491 VanDerWaalsContact O-CB 3.3Å; V488-L491 WeakPolarHBondContact O-CB 3.15Å; V488-L491 PolarHBondContact O-N 3.17Å; V488-L492 WeakPolarHBondContact O-CG 3.45Å; V488-L492 PolarHBondContact O-N 3.42Å
489D96.9Very high97.4Very high74 Ų7438.7 Ų38.740%0.39621%0.213SC..Hα-helixtrans-57.3-34.7175.5-63.4-83.1000112.2R484 S487 L492 A493R484-D489 HydrophobicContact CB-CB 3.91Å; R484-D489 HydrophobicContact CG-CB 4.28Å; S487-D489 PolarHBondContact O-N 3.41Å; S487-D489 PolarHBondContact OG-N 2.94Å; S487-D489 PolarHBondContact OG-OD2 2.65Å; D489-L492 PolarHBondContact O-N 3.03Å; D489-A493 WeakPolarHBondContact O-CB 3.3Å; D489-A493 PolarHBondContact O-N 3.37Å
490T97.6Very high97.4Very high1 Ų138.7 Ų38.71%0.00621%0.213CC..Hα-helixtrans-65.3-45.2174.8-440000111.3P186 R484 E485 N486 S487 V488 L492 A493 Y494P186-T490 HydrophobicContact CB-CG2 3.84Å; P186-T490 HydrophobicContact CG-CG2 3.53Å; R484-T490 WeakPolarHBondContact O-CA 3.32Å; R484-T490 WeakPolarHBondContact O-CB 3.48Å; R484-T490 WeakPolarHBondContact O-CG2 3.37Å; R484-T490 PolarHBondContact O-OG1 3.39Å; E485-T490 WeakPolarHBondContact CA-OG1 3.17Å; E485-T490 PolarHBondContact N-OG1 2.79Å; E485-T490 PolarHBondContact O-OG1 3.35Å; N486-T490 PolarHBondContact N-OG1 3.42Å; S487-T490 PolarHBondContact N-OG1 3.34Å; S487-T490 WeakPolarHBondContact O-CB 3.42Å; S487-T490 PolarHBondContact O-N 3.42Å; S487-T490 PolarHBondContact O-OG1 2.83Å; V488-T490 PolarHBondContact O-N 3.42Å; T490-L492 VanDerWaalsContact C-N 3.31Å; T490-L492 PolarHBondContact O-N 3.31Å; T490-A493 WeakPolarHBondContact O-CB 3.22Å; T490-A493 PolarHBondContact O-N 3.14Å; T490-A493 VanDerWaalsContact O-N 3.14Å; T490-Y494 HydrophobicContact CG2-CD2 4.04Å; T490-Y494 HydrophobicContact CG2-CE2 3.79Å; T490-Y494 WeakPolarHBondContact O-CD2 3.38Å; T490-Y494 PolarHBondContact O-N 3.13Å; T490-Y494 VanDerWaalsContact O-N 3.14Å
491L97.1Very high97.3Very high1 Ų143.9 Ų43.91%0.00523%0.233CC..Hα-helixtrans-59-44.4175.6-176.272.2000110.9F135 F138 F142 P186 A189 A190 S487 V488 A493 Y494F135-L491 HydrophobicContact CD1-CB 4.37Å; F135-L491 HydrophobicContact CE1-CB 4.17Å; F138-L491 HydrophobicContact CB-CD2 3.53Å; F138-L491 HydrophobicContact CD2-CD2 4.21Å; F138-L491 HydrophobicContact CG-CD2 4.15Å; F142-L491 HydrophobicContact CB-CD2 4.35Å; F142-L491 HydrophobicContact CD2-CD2 3.36Å; F142-L491 HydrophobicContact CD2-CG 3.81Å; F142-L491 HydrophobicContact CE1-CG 4.44Å; F142-L491 HydrophobicContact CE2-CB 4.4Å; F142-L491 HydrophobicContact CE2-CD2 3.59Å; F142-L491 HydrophobicContact CE2-CG 3.5Å; F142-L491 VanDerWaalsContact CE2-CG 3.5Å; F142-L491 HydrophobicContact CG-CD2 3.92Å; F142-L491 HydrophobicContact CG-CG 4.37Å; F142-L491 HydrophobicContact CZ-CD1 4.49Å; F142-L491 HydrophobicContact CZ-CD2 4.32Å; F142-L491 HydrophobicContact CZ-CG 3.82Å; P186-L491 WeakPolarHBondContact O-CD1 3.41Å; A189-L491 HydrophobicContact CB-CD1 3.7Å; A190-L491 HydrophobicContact CB-CD1 3.91Å; S487-L491 PolarHBondContact O-N 3.2Å; V488-L491 WeakPolarHBondContact O-CA 3.37Å; V488-L491 VanDerWaalsContact O-CB 3.3Å; V488-L491 WeakPolarHBondContact O-CB 3.15Å; V488-L491 PolarHBondContact O-N 3.17Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 2.73Å; L491-Y494 PolarHBondContact O-N 2.94Å
492L97.2Very high97.3Very high57 Ų5745.8 Ų45.830%0.29824%0.243SC..Hα-helixtrans-60-42.7175.8-55.2-180000111.1F142 R161 V488 D489 T490 Y494 S495F142-L492 HydrophobicContact CD2-CD2 4.44Å; F142-L492 HydrophobicContact CE2-CD2 3.66Å; R161-L492 VanDerWaalsContact NH2-CD2 3.26Å; V488-L492 WeakPolarHBondContact O-CG 3.45Å; V488-L492 PolarHBondContact O-N 3.42Å; D489-L492 PolarHBondContact O-N 3.03Å; T490-L492 VanDerWaalsContact C-N 3.31Å; T490-L492 PolarHBondContact O-N 3.31Å; L492-Y494 PolarHBondContact O-N 2.77Å; L492-S495 PolarHBondContact O-N 3.33Å; L492-S495 VanDerWaalsContact O-O 3.07Å; L492-S495 PolarHBondContact O-OG 3.44Å
493A97.7Very high97.1Very high33 Ų3344 Ų4427%0.27324%0.236SC..Hα-helixtrans-67.5-16.1179.600000114.4F164 K244 D489 T490 L491F164-A493 WeakPolarHBondContact CE2-O 3.46Å; K244-A493 WeakPolarHBondContact CD-O 3.23Å; K244-A493 WeakPolarHBondContact CE-O 3.3Å; K244-A493 PolarHBondContact NZ-O 3.22Å; D489-A493 WeakPolarHBondContact O-CB 3.3Å; D489-A493 PolarHBondContact O-N 3.37Å; T490-A493 WeakPolarHBondContact O-CB 3.22Å; T490-A493 PolarHBondContact O-N 3.14Å; T490-A493 VanDerWaalsContact O-N 3.14Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 2.73Å
494Y98.6Very high96.8Very high1 Ų144.9 Ų44.90%0.00425%0.245CC..THydrogen-bonded Turntrans-93.910.3171.7-79.8-70.8000113.6F164 C167 K183 P186 A187 N192 F194 K244 S246 T490 L491 L492F164-Y494 WeakPolarHBondContact CD2-O 3.4Å; F164-Y494 VanDerWaalsContact CE2-C 3.47Å; C167-Y494 HydrophobicContact CB-CD1 4.32Å; C167-Y494 HydrophobicContact CB-CE1 4.11Å; K183-Y494 PolarHBondContact O-OH 3.29Å; P186-Y494 HydrophobicContact CB-CD2 3.87Å; P186-Y494 HydrophobicContact CB-CE2 4.21Å; P186-Y494 HydrophobicContact CG-CD2 4.07Å; P186-Y494 HydrophobicContact CG-CE2 3.87Å; A187-Y494 HydrophobicContact CB-CD1 3.53Å; A187-Y494 HydrophobicContact CB-CD2 4.25Å; A187-Y494 HydrophobicContact CB-CE1 3.61Å; A187-Y494 HydrophobicContact CB-CE2 4.32Å; A187-Y494 HydrophobicContact CB-CG 3.89Å; N192-Y494 PolarHBondContact ND2-O 3.48Å; F194-Y494 AromaticContact CE2-CE1 3.97Å; F194-Y494 HydrophobicContact CE2-CE1 3.97Å; K244-Y494 HydrophobicContact CD-CD1 3.62Å; K244-Y494 HydrophobicContact CD-CE1 3.9Å; K244-Y494 HydrophobicContact CD-CG 4.37Å; K244-Y494 VanDerWaalsContact CE-CD1 3.46Å; K244-Y494 VanDerWaalsContact CE-CE1 3.47Å; K244-Y494 HydrophobicContact CG-CE1 4.47Å; S246-Y494 VanDerWaalsContact CB-OH 3.31Å; S246-Y494 WeakPolarHBondContact CB-OH 3.43Å; T490-Y494 HydrophobicContact CG2-CD2 4.04Å; T490-Y494 HydrophobicContact CG2-CE2 3.79Å; T490-Y494 WeakPolarHBondContact O-CD2 3.38Å; T490-Y494 PolarHBondContact O-N 3.13Å; T490-Y494 VanDerWaalsContact O-N 3.14Å; L491-Y494 PolarHBondContact O-N 2.94Å; L492-Y494 PolarHBondContact O-N 2.77Å
495S97.9Very high96.3Very high8 Ų844 Ų446%0.05626%0.255CS..EExtended strand (participates in β ladder)trans-131.1165.3174.771.30000112.1F142 R161 E162 F164 L492F142-S495 VanDerWaalsContact CZ-OG 3.31Å; F142-S495 WeakPolarHBondContact CZ-OG 3.44Å; R161-S495 PolarHBondContact NH1-OG 3.33Å; E162-S495 CarbonylContact O-C 3.46Å; E162-S495 WeakPolarHBondContact O-CA 3.47Å; E162-S495 WeakPolarHBondContact O-CB 3.38Å; F164-S495 WeakPolarHBondContact CE2-O 3.42Å; F164-S495 WeakPolarHBondContact CZ-O 3.27Å; L492-S495 PolarHBondContact O-N 3.33Å; L492-S495 VanDerWaalsContact O-O 3.07Å; L492-S495 PolarHBondContact O-OG 3.44Å
496Q97.2Very high95.8Very high80 Ų8049.8 Ų49.837%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-119.5147.9167.963.7-172.611.600110.7R161 E162 F164R161-Q496 WeakPolarHBondContact CA-O 3.4Å; E162-Q496 HydrophobicContact CB-CG 3.99Å; E162-Q496 PolarHBondContact N-O 3.19Å; E162-Q496 PolarHBondContact O-N 3.29Å; E162-Q496 PolarHBondContact OE2-NE2 3.42Å; F164-Q496 HydrophobicContact CE1-CB 3.91Å; F164-Q496 HydrophobicContact CE1-CG 4.48Å; F164-Q496 HydrophobicContact CZ-CB 4.17Å
497L96.7Very high95.4Very high94 Ų9456.5 Ų56.549%0.49233%0.33SS..EExtended strand (participates in β ladder)trans-90.2126.9177.3-161.471.2000109.7T159 R161T159-L497 HydrophobicContact CG2-CD1 4.47Å; T159-L497 HydrophobicContact CG2-CD2 4.13Å; T159-L497 HydrophobicContact CG2-CG 4.27Å; R161-L497 HydrophobicContact CG-CD1 4.02Å
498K97.9Very high94.8Very high80 Ų8061.5 Ų61.535%0.34836%0.363SS..EExtended strand (participates in β ladder)trans-110.2123.3170173.5172.5-72.1165.50108.8T159 R160 E162 I500T159-K498 CarbonylContact C-O 3.55Å; T159-K498 WeakPolarHBondContact CA-O 3.36Å; R160-K498 HydrophobicContact CG-CB 3.95Å; R160-K498 HydrophobicContact CG-CD 4.45Å; R160-K498 HydrophobicContact CG-CG 4.4Å; R160-K498 PolarHBondContact N-O 2.72Å; R160-K498 PolarHBondContact O-N 3.4Å; E162-K498 WeakPolarHBondContact OE1-CD 3.42Å; E162-K498 WeakPolarHBondContact OE1-CE 3.37Å; E162-K498 IonicContact OE1-NZ 3.23Å; E162-K498 PolarHBondContact OE1-NZ 3.33Å; E162-K498 VanDerWaalsContact OE2-CE 3.31Å; E162-K498 WeakPolarHBondContact OE2-CE 3.5Å; E162-K498 IonicContact OE2-NZ 2.73Å; E162-K498 PolarHBondContact OE2-NZ 3.5Å; K498-I500 HydrophobicContact CD-CD1 4.48Å; K498-I500 HydrophobicContact CG-CG1 4.25Å
499S97.7Very high94.4Very high81 Ų8166.8 Ų66.857%0.56638%0.378SS*.EExtended strand (participates in β ladder)trans-98.2137.5172.9-57.10000110.2Y158Y158-S499 WeakPolarHBondContact O-CA 3.26Å
500I98.1Very high94Very high46 Ų4668 Ų6824%0.23639%0.39CS..EExtended strand (participates in β ladder)trans-126.9114177.4-61.2165000106.7Y157 Y158 K498Y157-I500 CarbonylContact C-O 3.42Å; Y157-I500 WeakPolarHBondContact CA-O 3.45Å; Y157-I500 WeakPolarHBondContact CB-O 3.47Å; Y158-I500 HydrophobicContact CD1-CB 4.21Å; Y158-I500 HydrophobicContact CD1-CG2 4.42Å; Y158-I500 HydrophobicContact CD2-CB 4.47Å; Y158-I500 HydrophobicContact CD2-CD1 4.42Å; Y158-I500 HydrophobicContact CE1-CB 3.74Å; Y158-I500 HydrophobicContact CE1-CG2 3.59Å; Y158-I500 HydrophobicContact CE2-CB 4.05Å; Y158-I500 HydrophobicContact CE2-CD1 3.51Å; Y158-I500 HydrophobicContact CE2-CG1 4.29Å; Y158-I500 PolarHBondContact N-O 2.98Å; Y158-I500 PolarHBondContact O-N 3.28Å; Y158-I500 WeakPolarHBondContact OH-CD1 3.28Å; K498-I500 HydrophobicContact CD-CD1 4.48Å; K498-I500 HydrophobicContact CG-CG1 4.25Å
501Y96.9Very high93.7Very high109 Ų10974.8 Ų74.843%0.42742%0.419SS..EExtended strand (participates in β ladder)trans-89137.3173.3177.1-93000109.5V149 S155 E503V149-Y501 HydrophobicContact CB-CE2 4.02Å; V149-Y501 HydrophobicContact CG1-CE2 3.98Å; V149-Y501 HydrophobicContact CG2-CD2 4.18Å; V149-Y501 HydrophobicContact CG2-CE2 3.94Å; S155-Y501 WeakPolarHBondContact CB-OH 3.44Å; Y501-E503 HydrophobicContact CE1-CB 3.86Å; Y501-E503 WeakPolarHBondContact CE1-OE2 3.25Å; Y501-E503 PolarHBondContact OH-OE2 2.88Å
502V96.7Very high93Very high48 Ų4880.5 Ų80.529%0.29146%0.457SS..EExtended strand (participates in β ladder)trans-120.9114.3176.1-176.50000107.6S155 F156 Y158 G504S155-V502 WeakPolarHBondContact CA-O 3.12Å; F156-V502 HydrophobicContact CD1-CB 4.15Å; F156-V502 HydrophobicContact CD1-CG1 4.45Å; F156-V502 HydrophobicContact CD2-CB 4.24Å; F156-V502 HydrophobicContact CD2-CG2 4.23Å; F156-V502 HydrophobicContact CE1-CB 3.76Å; F156-V502 HydrophobicContact CE1-CG1 3.72Å; F156-V502 HydrophobicContact CE1-CG2 4.3Å; F156-V502 HydrophobicContact CE2-CB 3.89Å; F156-V502 HydrophobicContact CE2-CG2 3.6Å; F156-V502 HydrophobicContact CG-CB 4.38Å; F156-V502 HydrophobicContact CZ-CB 3.63Å; F156-V502 HydrophobicContact CZ-CG1 3.76Å; F156-V502 HydrophobicContact CZ-CG2 3.64Å; F156-V502 PolarHBondContact N-O 3.38Å; F156-V502 VanDerWaalsContact N-O 3.15Å; F156-V502 PolarHBondContact O-N 2.74Å; Y158-V502 HydrophobicContact CD1-CG2 4.42Å; Y158-V502 HydrophobicContact CE1-CG2 3.98Å; V502-G504 PolarHBondContact O-N 2.89Å
503E94.1Very high92.1Very high58 Ų5889.8 Ų89.827%0.27150%0.499SS..  trans-73.9117.9169.9-174.553.4-117.100108.8S155 Y501 G505 L507S155-E503 PolarHBondContact OG-OE1 3.01Å; Y501-E503 HydrophobicContact CE1-CB 3.86Å; Y501-E503 WeakPolarHBondContact CE1-OE2 3.25Å; Y501-E503 PolarHBondContact OH-OE2 2.88Å; E503-G505 WeakPolarHBondContact CG-O 3.45Å; E503-G505 WeakPolarHBondContact OE1-CA 3.42Å; E503-G505 PolarHBondContact OE1-N 3.24Å; E503-L507 HydrophobicContact CG-CD2 3.96Å
504G91.3Very high91.8Very high48 Ų4892.7 Ų92.750%0.49551%0.51SS..  trans-93.3-13.1175.100000113.6S155 V502S155-G504 PolarHBondContact OG-N 3.03Å; V502-G504 PolarHBondContact O-N 2.89Å
505G86.7Confident91.5Very high42 Ų4297.5 Ų97.543%0.43354%0.536SS..SBendtrans-109.2-167.9-179.200000114.7E503E503-G505 WeakPolarHBondContact CG-O 3.45Å; E503-G505 WeakPolarHBondContact OE1-CA 3.42Å; E503-G505 PolarHBondContact OE1-N 3.24Å
506S86.8Confident91.1Very high122 Ų122102.4 Ų102.485%0.85356%0.563SS**PPolyproline II helixtrans-90.3140.3168.1-62.40000110.3
507L87.7Confident90.7Very high141 Ų141103.8 Ų103.874%0.73857%0.574SS**PPolyproline II helixtrans-70.2133.2177.1-63.5175.2000110.4E503E503-L507 HydrophobicContact CG-CD2 3.96Å
508P84.1Confident90.4Very high107 Ų107104.4 Ų104.470%0.69558%0.579SS**PPolyproline II helixtrans-67.7160.217030.7-34.6000110.4
509Y88.1Confident89.9Confident171 Ų171106 Ų10667%0.67160%0.595SS**PPolyproline II helixtrans-60.3126.1167.1-169.9-107.6000108.6F511Y509-F511 VanDerWaalsContact C-N 3.28Å; Y509-F511 HydrophobicContact CD1-CB 4.35Å; Y509-F511 WeakPolarHBondContact CD1-O 3.5Å; Y509-F511 HydrophobicContact CE1-CB 3.82Å; Y509-F511 HydrophobicContact CE1-CD2 4.41Å; Y509-F511 PolarHBondContact O-N 3.11Å
510P88.3Confident89.3Confident100 Ų100107.8 Ų107.865%0.64960%0.597SS**SBendtrans-79.8-8.8-16529.7-35.4000114.2
511F92Very high88.6Confident143 Ų143112.5 Ų112.563%0.62763%0.625SS**SBendtrans-117.2151.6-177.6-56.8-65.7000110.3Y509Y509-F511 VanDerWaalsContact C-N 3.28Å; Y509-F511 HydrophobicContact CD1-CB 4.35Å; Y509-F511 WeakPolarHBondContact CD1-O 3.5Å; Y509-F511 HydrophobicContact CE1-CB 3.82Å; Y509-F511 HydrophobicContact CE1-CD2 4.41Å; Y509-F511 PolarHBondContact O-N 3.11Å
512P80.6Confident87.9Confident122 Ų122112.8 Ų112.879%0.79264%0.641SS**  trans-56.1142.8164.1-17.630.4000109.8
513E78.9Confident87.2Confident252 Ų252118.7 Ų118.7100%1.17867%0.673SS**  trans-65.30166.6-71.8-174.117100112.1

Retrieved 513 of 513 residues in 985.6 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).