A0A087Y533_POEFO Loading...

Ankyrin repeat and SOCS box containing 8

AlphaFold DB , UniProt , Accession A0A087Y533, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1M53.7Low71.2Confident205 Ų205114 Ų114100%1.0158%0.582SS**  01160-71.4165.1121.500107.1M5M1-M5 HydrophobicContact CB-SD 4.39Å; M1-M5 HydrophobicContact CE-SD 4.43Å; M1-M5 HydrophobicContact CG-SD 4.19Å
2S66.3Low71.3Confident75 Ų75110.4 Ų110.452%0.52456%0.564SS.*  trans-74.7154.6-174.467.60000111.9T4 M5 W6S2-T4 PolarHBondContact O-N 2.8Å; S2-T4 VanDerWaalsContact O-N 3.08Å; S2-M5 WeakPolarHBondContact O-CB 3.05Å; S2-M5 PolarHBondContact O-N 2.92Å; S2-W6 PolarHBondContact O-N 3.49Å
3S72.1Confident71.6Confident106 Ų106112.2 Ų112.274%0.74157%0.568SS**Hα-helixtrans-53.8-29.3177.8-52.30000113.3W6 Y7S3-W6 PolarHBondContact O-N 2.95Å; S3-Y7 PolarHBondContact O-N 2.81Å; S3-Y7 VanDerWaalsContact O-N 3.13Å
4T76.4Confident72.4Confident95 Ų95108.9 Ų108.958%0.58356%0.561SS**Hα-helixtrans-63.7-40.5174.6-41.90000112.3S2 Y7 I8S2-T4 PolarHBondContact O-N 2.8Å; S2-T4 VanDerWaalsContact O-N 3.08Å; T4-Y7 PolarHBondContact O-N 3.07Å; T4-I8 HydrophobicContact CG2-CD1 4.11Å; T4-I8 WeakPolarHBondContact O-CD1 3.22Å; T4-I8 VanDerWaalsContact O-CG1 3.23Å; T4-I8 WeakPolarHBondContact O-CG1 3.47Å; T4-I8 PolarHBondContact O-N 3.21Å; T4-I8 VanDerWaalsContact O-N 3.08Å
5M75.3Confident72.8Confident92 Ų92108.8 Ų108.845%0.45356%0.555SS.*Hα-helixtrans-67.2-40.4179.9-167.3179.3-170.100111.4M1 S2 I8 M9M1-M5 HydrophobicContact CB-SD 4.39Å; M1-M5 HydrophobicContact CE-SD 4.43Å; M1-M5 HydrophobicContact CG-SD 4.19Å; S2-M5 WeakPolarHBondContact O-CB 3.05Å; S2-M5 PolarHBondContact O-N 2.92Å; M5-I8 PolarHBondContact O-N 3.33Å; M5-M9 HydrophobicContact CG-SD 4.44Å; M5-M9 VanDerWaalsContact O-CG 3.28Å; M5-M9 WeakPolarHBondContact O-CG 3.5Å; M5-M9 PolarHBondContact O-N 3.02Å
6W71.4Confident73.2Confident172 Ų172108 Ų10865%0.65254%0.544SS*.Hα-helixtrans-66.3-43177.1-177.283.4000112.3S2 S3 I8 M9 Q10S2-W6 PolarHBondContact O-N 3.49Å; S3-W6 PolarHBondContact O-N 2.95Å; W6-I8 PolarHBondContact O-N 3.38Å; W6-M9 PolarHBondContact O-N 2.95Å; W6-Q10 PolarHBondContact O-N 3.48Å
7Y77.4Confident74Confident160 Ų160105 Ų10563%0.62754%0.535SS*.Hα-helixtrans-61.5-43.1176.1-178.3-97.8000112.5S3 T4 M9 Q10 S11S3-Y7 PolarHBondContact O-N 2.81Å; S3-Y7 VanDerWaalsContact O-N 3.13Å; T4-Y7 PolarHBondContact O-N 3.07Å; Y7-M9 PolarHBondContact O-N 3.41Å; Y7-Q10 PolarHBondContact O-N 3.49Å; Y7-S11 WeakPolarHBondContact O-CB 3.21Å; Y7-S11 PolarHBondContact O-N 3.19Å
8I77Confident75Confident87 Ų87100.1 Ų100.145%0.44651%0.51SS..Hα-helixtrans-60.5-46175.4-69.4165.3000110.4T4 M5 W6 Q10 S11 I12T4-I8 HydrophobicContact CG2-CD1 4.11Å; T4-I8 WeakPolarHBondContact O-CD1 3.22Å; T4-I8 VanDerWaalsContact O-CG1 3.23Å; T4-I8 WeakPolarHBondContact O-CG1 3.47Å; T4-I8 PolarHBondContact O-N 3.21Å; T4-I8 VanDerWaalsContact O-N 3.08Å; M5-I8 PolarHBondContact O-N 3.33Å; W6-I8 PolarHBondContact O-N 3.38Å; I8-Q10 PolarHBondContact O-N 3.44Å; I8-S11 PolarHBondContact O-N 3.07Å; I8-I12 HydrophobicContact CG2-CD1 3.61Å; I8-I12 HydrophobicContact CG2-CG1 4.38Å; I8-I12 WeakPolarHBondContact O-CB 3.46Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.47Å; I8-I12 PolarHBondContact O-N 3.08Å
9M67.4Low75.9Confident110 Ų11094.9 Ų94.954%0.54248%0.484SS..Hα-helixtrans-62.3-42.5178-71.4173.470.400112.3M5 W6 Y7 I12 Q13M5-M9 HydrophobicContact CG-SD 4.44Å; M5-M9 VanDerWaalsContact O-CG 3.28Å; M5-M9 WeakPolarHBondContact O-CG 3.5Å; M5-M9 PolarHBondContact O-N 3.02Å; W6-M9 PolarHBondContact O-N 2.95Å; Y7-M9 PolarHBondContact O-N 3.41Å; M9-I12 PolarHBondContact O-N 3.3Å; M9-Q13 WeakPolarHBondContact O-CB 3.39Å; M9-Q13 PolarHBondContact O-N 2.68Å
10Q73.1Confident76.6Confident104 Ų10493.7 Ų93.749%0.48648%0.476SS..Hα-helixtrans-65.1-41.5177.5-169.7-179.512.900111.9W6 Y7 I8 Q13 S14W6-Q10 PolarHBondContact O-N 3.48Å; Y7-Q10 PolarHBondContact O-N 3.49Å; I8-Q10 PolarHBondContact O-N 3.44Å; Q10-Q13 PolarHBondContact O-N 2.99Å; Q10-S14 WeakPolarHBondContact O-CB 3.25Å; Q10-S14 PolarHBondContact O-N 3.27Å
11S73.4Confident77.2Confident48 Ų4892.9 Ų92.934%0.33647%0.467SS..Hα-helixtrans-61.6-45.8175.3-176.50000111.6Y7 I8 S14 K15Y7-S11 WeakPolarHBondContact O-CB 3.21Å; Y7-S11 PolarHBondContact O-N 3.19Å; I8-S11 PolarHBondContact O-N 3.07Å; S11-S14 PolarHBondContact O-N 3.21Å; S11-K15 WeakPolarHBondContact O-CG 3.39Å; S11-K15 PolarHBondContact O-N 2.87Å
12I72.1Confident79.1Confident71 Ų7183.1 Ų83.136%0.36442%0.419SS..Hα-helixtrans-62-46.9177.6-71.7169.1000111I8 M9 S14 K15 Y16I8-I12 HydrophobicContact CG2-CD1 3.61Å; I8-I12 HydrophobicContact CG2-CG1 4.38Å; I8-I12 WeakPolarHBondContact O-CB 3.46Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.47Å; I8-I12 PolarHBondContact O-N 3.08Å; M9-I12 PolarHBondContact O-N 3.3Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 3.02Å; I12-K15 PolarHBondContact O-N 3.41Å; I12-Y16 HydrophobicContact CG2-CD2 3.69Å; I12-Y16 HydrophobicContact CG2-CE2 3.1Å; I12-Y16 VanDerWaalsContact O-CD2 3.3Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 2.96Å
13Q75.6Confident80.2Confident133 Ų13380 Ų8062%0.62140%0.396SS*.Hα-helixtrans-61.3-40.6178.8-170.964.822.800111.9M9 Q10 Y16 S17M9-Q13 WeakPolarHBondContact O-CB 3.39Å; M9-Q13 PolarHBondContact O-N 2.68Å; Q10-Q13 PolarHBondContact O-N 2.99Å; Q13-Y16 PolarHBondContact O-N 3.42Å; Q13-S17 PolarHBondContact O-N 3.11Å; Q13-S17 VanDerWaalsContact O-N 3.1Å
14S82.1Confident81Confident67 Ų6778.1 Ų78.147%0.46937%0.373SS..Hα-helixtrans-63.2-46.5176-179.90000111.7Q10 S11 I12 Y16 S17 L18Q10-S14 WeakPolarHBondContact O-CB 3.25Å; Q10-S14 PolarHBondContact O-N 3.27Å; S11-S14 PolarHBondContact O-N 3.21Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 3.02Å; S14-Y16 VanDerWaalsContact C-N 3.32Å; S14-Y16 PolarHBondContact O-N 3.28Å; S14-S17 PolarHBondContact O-N 3.45Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 2.98Å
15K78.7Confident81.7Confident107 Ų10774.6 Ų74.647%0.46535%0.352SS..Hα-helixtrans-59.6-40.4175.9-72.4-177.2178.9-1710112.7S11 I12 L18 S19S11-K15 WeakPolarHBondContact O-CG 3.39Å; S11-K15 PolarHBondContact O-N 2.87Å; I12-K15 PolarHBondContact O-N 3.41Å; K15-L18 PolarHBondContact O-N 3.42Å; K15-S19 WeakPolarHBondContact O-CB 3.28Å; K15-S19 PolarHBondContact O-N 3.45Å; K15-S19 PolarHBondContact O-OG 2.92Å
16Y79.2Confident82.5Confident96 Ų9670.7 Ų70.738%0.37633%0.332SS..Hα-helixtrans-64.3-42.3176.5-69.1-38.7000112.5I12 Q13 S14 L18 S19 E20I12-Y16 HydrophobicContact CG2-CD2 3.69Å; I12-Y16 HydrophobicContact CG2-CE2 3.1Å; I12-Y16 VanDerWaalsContact O-CD2 3.3Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 2.96Å; Q13-Y16 PolarHBondContact O-N 3.42Å; S14-Y16 VanDerWaalsContact C-N 3.32Å; S14-Y16 PolarHBondContact O-N 3.28Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.12Å; Y16-S19 PolarHBondContact O-N 2.89Å; Y16-E20 PolarHBondContact O-N 3.45Å
17S87.2Confident83.1Confident57 Ų5763.5 Ų63.540%0.39931%0.31SS..Hα-helixtrans-61.6-39.7174.4-179.70000112.1Q13 S14 R21Q13-S17 PolarHBondContact O-N 3.11Å; Q13-S17 VanDerWaalsContact O-N 3.1Å; S14-S17 PolarHBondContact O-N 3.45Å; S17-R21 VanDerWaalsContact O-CG 3.31Å; S17-R21 WeakPolarHBondContact O-CG 3.47Å; S17-R21 PolarHBondContact O-N 2.98Å; S17-R21 VanDerWaalsContact O-N 3.1Å
18L91.4Very high83Confident16 Ų1659.6 Ų59.68%0.08431%0.31CS..Hα-helixtrans-66.3-41.9176.1-69.2173.2000112.6S14 K15 Y16 R21 L22 L40 K43 A45S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 2.98Å; K15-L18 PolarHBondContact O-N 3.42Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.12Å; L18-R21 PolarHBondContact O-N 3.35Å; L18-L22 PolarHBondContact O-N 2.74Å; L18-L40 HydrophobicContact CD2-CD2 3.92Å; L18-K43 HydrophobicContact CD1-CB 4.01Å; L18-K43 VanDerWaalsContact CD1-O 3.31Å; L18-K43 WeakPolarHBondContact CD1-O 3.5Å; L18-K43 HydrophobicContact CD2-CB 4.41Å; L18-A45 HydrophobicContact CB-CB 3.97Å
19S92.1Very high82.2Confident2 Ų261.4 Ų61.41%0.01432%0.319CS..Hα-helixtrans-68.3-36.1-179.8-48.20000112K15 Y16 L22 I23 D46K15-S19 WeakPolarHBondContact O-CB 3.28Å; K15-S19 PolarHBondContact O-N 3.45Å; K15-S19 PolarHBondContact O-OG 2.92Å; Y16-S19 PolarHBondContact O-N 2.89Å; S19-L22 WeakPolarHBondContact O-CB 3.47Å; S19-L22 PolarHBondContact O-N 3.4Å; S19-I23 PolarHBondContact O-N 3.26Å; S19-D46 PolarHBondContact OG-N 2.8Å
20E89.5Confident81.7Confident70 Ų7065 Ų6533%0.32733%0.327SS..Hα-helixtrans-64.2-43.8171.1172.5169.9-174.100111.8Y16 L22 I23 R24 H51Y16-E20 PolarHBondContact O-N 3.45Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.14Å; E20-I23 PolarHBondContact O-N 2.98Å; E20-R24 WeakPolarHBondContact O-CG 3.42Å; E20-R24 PolarHBondContact O-N 3.46Å; E20-R24 VanDerWaalsContact O-N 3.13Å; E20-R24 IonicContact OE1-CZ 3.32Å; E20-R24 VanDerWaalsContact OE1-CZ 3.32Å; E20-R24 IonicContact OE1-NE 3Å; E20-R24 PolarHBondContact OE1-NE 3.13Å; E20-R24 IonicContact OE1-NH2 2.76Å; E20-R24 PolarHBondContact OE1-NH2 2.77Å; E20-H51 VanDerWaalsContact CG-CE1 3.46Å; E20-H51 WeakPolarHBondContact CG-CE1 3.49Å; E20-H51 IonicContact OE1-CE1 2.63Å; E20-H51 PolarHBondContact OE1-CE1 3.03Å; E20-H51 VanDerWaalsContact OE1-CE1 3.3Å; E20-H51 IonicContact OE1-NE2 2.66Å; E20-H51 IonicContact OE2-CE1 3.06Å
21R90.5Very high80.8Confident77 Ų7763.8 Ų63.829%0.29133%0.33SS..Hα-helixtrans-61.6-42.1175.7-73.7165.865.9-178.35.2111.5S17 L18 I23 R24 T25 F32 D35 L40S17-R21 VanDerWaalsContact O-CG 3.31Å; S17-R21 WeakPolarHBondContact O-CG 3.47Å; S17-R21 PolarHBondContact O-N 2.98Å; S17-R21 VanDerWaalsContact O-N 3.1Å; L18-R21 PolarHBondContact O-N 3.35Å; R21-I23 PolarHBondContact O-N 3.24Å; R21-R24 PolarHBondContact O-N 3.08Å; R21-R24 VanDerWaalsContact O-N 3.16Å; R21-T25 WeakPolarHBondContact O-CB 3.43Å; R21-T25 PolarHBondContact O-N 3.4Å; R21-T25 PolarHBondContact O-OG1 3.02Å; R21-F32 HydrophobicContact CG-CD2 4.4Å; R21-F32 HydrophobicContact CG-CE2 4.09Å; R21-D35 IonicContact CZ-OD1 3.75Å; R21-D35 IonicContact CZ-OD2 3.48Å; R21-D35 IonicContact NE-OD1 3.21Å; R21-D35 IonicContact NE-OD2 3.25Å; R21-D35 PolarHBondContact NE-OD2 3.11Å; R21-D35 VanDerWaalsContact NH2-CG 3.29Å; R21-D35 IonicContact NH2-OD1 3.22Å; R21-D35 PolarHBondContact NH2-OD1 3.2Å; R21-D35 IonicContact NH2-OD2 3.46Å; R21-D35 PolarHBondContact NH2-OD2 3.37Å; R21-D35 VanDerWaalsContact NH2-OD2 3.17Å; R21-L40 HydrophobicContact CB-CD1 4.13Å; R21-L40 HydrophobicContact CB-CD2 4.24Å
22L92.7Very high80.4Confident0 Ų066.3 Ų66.30%034%0.335CS..Hα-helixtrans-53-53.3177.2177.664.6000111.5L18 S19 E20 R24 T25 I26 V37 L40 I41 A45 V47 P56L18-L22 PolarHBondContact O-N 2.74Å; S19-L22 WeakPolarHBondContact O-CB 3.47Å; S19-L22 PolarHBondContact O-N 3.4Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.14Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 2.83Å; L22-T25 PolarHBondContact O-N 3Å; L22-I26 HydrophobicContact CD1-CD1 3.99Å; L22-I26 HydrophobicContact CD1-CG1 4.49Å; L22-I26 HydrophobicContact CG-CD1 3.97Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.4Å; L22-V37 HydrophobicContact CD1-CB 4.29Å; L22-V37 HydrophobicContact CD1-CG1 3.75Å; L22-L40 HydrophobicContact CB-CD1 4.34Å; L22-L40 HydrophobicContact CD1-CB 4.29Å; L22-I41 HydrophobicContact CD1-CD1 4.35Å; L22-I41 HydrophobicContact CD1-CG1 4Å; L22-I41 HydrophobicContact CD2-CG1 4.13Å; L22-A45 HydrophobicContact CB-CB 4.14Å; L22-A45 HydrophobicContact CD2-CB 3.94Å; L22-V47 HydrophobicContact CD2-CG1 4.46Å; L22-P56 HydrophobicContact CD2-CB 4.28Å; L22-P56 HydrophobicContact CD2-CG 3.96Å; L22-P56 HydrophobicContact CG-CG 4.47Å
23I90.7Very high79.8Confident9 Ų968.6 Ų68.65%0.04635%0.354CS..Hα-helixtrans-63-41.1179.2-73.1174.7000111.7S19 E20 R21 T25 I26 A27 R49 H51 P56S19-I23 PolarHBondContact O-N 3.26Å; E20-I23 PolarHBondContact O-N 2.98Å; R21-I23 PolarHBondContact O-N 3.24Å; I23-T25 VanDerWaalsContact C-N 3.31Å; I23-T25 PolarHBondContact O-N 3.15Å; I23-I26 PolarHBondContact O-N 2.95Å; I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.38Å; I23-A27 PolarHBondContact O-N 3.3Å; I23-R49 WeakPolarHBondContact CD1-O 3.31Å; I23-H51 HydrophobicContact CB-CB 4.4Å; I23-H51 HydrophobicContact CD1-CB 3.39Å; I23-H51 HydrophobicContact CG1-CB 4.44Å; I23-H51 HydrophobicContact CG2-CB 4.33Å; I23-P56 HydrophobicContact CD1-CG 4.02Å; I23-P56 HydrophobicContact CG1-CB 4.28Å; I23-P56 HydrophobicContact CG1-CG 3.69Å
24R88.8Confident79.6Confident68 Ų6870 Ų7026%0.25736%0.361SS..Hα-helixtrans-65.5-35.2178.8-70.8176.8-178.9-73.4-0.9112.6E20 R21 L22 A28 I29E20-R24 WeakPolarHBondContact O-CG 3.42Å; E20-R24 PolarHBondContact O-N 3.46Å; E20-R24 VanDerWaalsContact O-N 3.13Å; E20-R24 IonicContact OE1-CZ 3.32Å; E20-R24 VanDerWaalsContact OE1-CZ 3.32Å; E20-R24 IonicContact OE1-NE 3Å; E20-R24 PolarHBondContact OE1-NE 3.13Å; E20-R24 IonicContact OE1-NH2 2.76Å; E20-R24 PolarHBondContact OE1-NH2 2.77Å; R21-R24 PolarHBondContact O-N 3.08Å; R21-R24 VanDerWaalsContact O-N 3.16Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 2.83Å; R24-A28 PolarHBondContact O-N 3.06Å; R24-I29 PolarHBondContact O-N 3.36Å
25T90.8Very high79.5Confident21 Ų2167.8 Ų67.813%0.12934%0.343CS..Hα-helixtrans-66.8-49174.4-61.20000110.6R21 L22 I23 A28 D35 V37R21-T25 WeakPolarHBondContact O-CB 3.43Å; R21-T25 PolarHBondContact O-N 3.4Å; R21-T25 PolarHBondContact O-OG1 3.02Å; L22-T25 PolarHBondContact O-N 3Å; I23-T25 VanDerWaalsContact C-N 3.31Å; I23-T25 PolarHBondContact O-N 3.15Å; T25-A28 PolarHBondContact O-N 3.42Å; T25-D35 HydrophobicContact CG2-CB 4.43Å; T25-D35 VanDerWaalsContact CG2-O 3.31Å; T25-D35 WeakPolarHBondContact CG2-O 3.45Å; T25-D35 WeakPolarHBondContact OG1-CB 3.44Å; T25-V37 HydrophobicContact CG2-CG2 3.97Å
26I90.6Very high80Confident10 Ų1066.5 Ų66.55%0.05134%0.342CS..Hα-helixtrans-61.2-48.3178.4-64.9163.8000111.1L22 I23 A28 V37 P56 C59 A60 L72L22-I26 HydrophobicContact CD1-CD1 3.99Å; L22-I26 HydrophobicContact CD1-CG1 4.49Å; L22-I26 HydrophobicContact CG-CD1 3.97Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.4Å; I23-I26 PolarHBondContact O-N 2.95Å; I26-A28 PolarHBondContact O-N 3.34Å; I26-A28 VanDerWaalsContact O-N 3.15Å; I26-V37 HydrophobicContact CG1-CG1 4.42Å; I26-V37 HydrophobicContact CG1-CG2 3.78Å; I26-P56 HydrophobicContact CD1-CB 3.72Å; I26-C59 HydrophobicContact CB-CB 4.43Å; I26-C59 HydrophobicContact CG2-CB 3.78Å; I26-A60 HydrophobicContact CG2-CB 3.95Å; I26-L72 HydrophobicContact CD1-CD1 4.01Å; I26-L72 HydrophobicContact CD1-CD2 4.42Å
27A84.6Confident80.6Confident21 Ų2162.9 Ų62.917%0.17433%0.329CS..THydrogen-bonded Turntrans-74.3-3.1-176.200000113.7I23 I29 C59I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.38Å; I23-A27 PolarHBondContact O-N 3.3Å; A27-I29 HydrophobicContact CB-CD1 3.67Å; A27-I29 HydrophobicContact CB-CG1 3.79Å; A27-I29 WeakPolarHBondContact O-CG1 3.32Å; A27-I29 PolarHBondContact O-N 2.92Å; A27-C59 HydrophobicContact CB-CB 4.42Å
28A75.8Confident80.9Confident77 Ų7763.2 Ų63.264%0.63633%0.325SS*.THydrogen-bonded Turntrans52.415.3-173.400000115.3R24 T25 I26 R30R24-A28 PolarHBondContact O-N 3.06Å; T25-A28 PolarHBondContact O-N 3.42Å; I26-A28 PolarHBondContact O-N 3.34Å; I26-A28 VanDerWaalsContact O-N 3.15Å; A28-R30 VanDerWaalsContact C-N 3.31Å; A28-R30 PolarHBondContact O-N 3.06Å
29I59.8Low80.9Confident125 Ų12565.2 Ų65.264%0.64134%0.336SS*.SBendtrans-68.5-32.2-174.4-68.9171.2000111.1R24 A27R24-I29 PolarHBondContact O-N 3.36Å; A27-I29 HydrophobicContact CB-CD1 3.67Å; A27-I29 HydrophobicContact CB-CG1 3.79Å; A27-I29 WeakPolarHBondContact O-CG1 3.32Å; A27-I29 PolarHBondContact O-N 2.92Å
30R56.3Low81Confident187 Ų18765.2 Ų65.271%0.70634%0.335SS*.SBendtrans-160.293.1167.5-72-167.2173.8164.1-4.4108.4A28 F32A28-R30 VanDerWaalsContact C-N 3.31Å; A28-R30 PolarHBondContact O-N 3.06Å; R30-F32 PolarHBondContact O-N 3.06Å
31S55.5Low81.2Confident78 Ų7862.9 Ų62.955%0.54533%0.325SS..  trans-74122.6173.3-175.70000109.5
32F64.1Low81.4Confident101 Ų10167 Ų6744%0.44334%0.341SS..  trans-74134164.7-63.4-83.8000107.1R21 R30 H34 D35R21-F32 HydrophobicContact CG-CD2 4.4Å; R21-F32 HydrophobicContact CG-CE2 4.09Å; R30-F32 PolarHBondContact O-N 3.06Å; F32-H34 PolarHBondContact O-N 2.83Å; F32-D35 HydrophobicContact CB-CB 4.14Å; F32-D35 WeakPolarHBondContact CD2-OD2 3.32Å; F32-D35 PolarHBondContact O-N 2.82Å
33P60.3Low81.4Confident118 Ų11873.3 Ų73.377%0.76637%0.368SS*.THydrogen-bonded Turntrans-60.8-2.3-168.119.9-31.7000116.1
34H70.5Confident81.4Confident164 Ų16474.2 Ų74.276%0.75938%0.38SS*.THydrogen-bonded Turntrans-129.56.8179.5-56.2-50.8000113.6F32F32-H34 PolarHBondContact O-N 2.83Å
35D81.6Confident81.7Confident19 Ų1971.4 Ų71.410%0.10237%0.371CS..  trans-89.4112.7-179.2-78.98.7000110.3R21 T25 F32 L40R21-D35 IonicContact CZ-OD1 3.75Å; R21-D35 IonicContact CZ-OD2 3.48Å; R21-D35 IonicContact NE-OD1 3.21Å; R21-D35 IonicContact NE-OD2 3.25Å; R21-D35 PolarHBondContact NE-OD2 3.11Å; R21-D35 VanDerWaalsContact NH2-CG 3.29Å; R21-D35 IonicContact NH2-OD1 3.22Å; R21-D35 PolarHBondContact NH2-OD1 3.2Å; R21-D35 IonicContact NH2-OD2 3.46Å; R21-D35 PolarHBondContact NH2-OD2 3.37Å; R21-D35 VanDerWaalsContact NH2-OD2 3.17Å; T25-D35 HydrophobicContact CG2-CB 4.43Å; T25-D35 VanDerWaalsContact CG2-O 3.31Å; T25-D35 WeakPolarHBondContact CG2-O 3.45Å; T25-D35 WeakPolarHBondContact OG1-CB 3.44Å; F32-D35 HydrophobicContact CB-CB 4.14Å; F32-D35 WeakPolarHBondContact CD2-OD2 3.32Å; F32-D35 PolarHBondContact O-N 2.82Å; D35-L40 HydrophobicContact CB-CD1 4.06Å
36N88.6Confident81.9Confident80 Ų8073.8 Ų73.843%0.42838%0.383SS..  trans-105.4136.9169.4179.4-27.6000108.9E38 D39 L40N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 3.02Å; N36-E38 PolarHBondContact OD1-N 3.46Å; N36-D39 HydrophobicContact CB-CB 4.18Å; N36-D39 PolarHBondContact O-N 3.43Å; N36-L40 VanDerWaalsContact O-CG 3.31Å; N36-L40 WeakPolarHBondContact O-CG 3.31Å; N36-L40 PolarHBondContact O-N 3.24Å
37V91.8Very high82.1Confident20 Ų2073.9 Ų73.912%0.12138%0.384CS..Hα-helixtrans-49.7-51.3176176.30000111.2L22 T25 I26 D39 L40 I41 L71L22-V37 HydrophobicContact CD1-CB 4.29Å; L22-V37 HydrophobicContact CD1-CG1 3.75Å; T25-V37 HydrophobicContact CG2-CG2 3.97Å; I26-V37 HydrophobicContact CG1-CG1 4.42Å; I26-V37 HydrophobicContact CG1-CG2 3.78Å; V37-D39 PolarHBondContact O-N 3.47Å; V37-L40 PolarHBondContact O-N 3.46Å; V37-I41 HydrophobicContact CG1-CD1 3.94Å; V37-I41 VanDerWaalsContact O-CG1 3.32Å; V37-I41 WeakPolarHBondContact O-CG1 3.34Å; V37-I41 PolarHBondContact O-N 3.49Å; V37-L71 HydrophobicContact CG1-CD2 3.92Å
38E93Very high82.6Confident64 Ų6474.3 Ų74.330%0.29938%0.383SS..Hα-helixtrans-64.4-42.6-176.6-163.3-173.6-176.400111.7N36 L40 I41 R42 L71N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 3.02Å; N36-E38 PolarHBondContact OD1-N 3.46Å; E38-L40 PolarHBondContact O-N 2.7Å; E38-I41 PolarHBondContact O-N 3.13Å; E38-R42 WeakPolarHBondContact O-CB 3.4Å; E38-R42 VanDerWaalsContact O-CG 3.3Å; E38-R42 WeakPolarHBondContact O-CG 3.28Å; E38-R42 PolarHBondContact O-N 3.15Å; E38-R42 IonicContact OE1-CZ 3.17Å; E38-R42 VanDerWaalsContact OE1-CZ 3.25Å; E38-R42 IonicContact OE1-NE 3.34Å; E38-R42 PolarHBondContact OE1-NE 3.3Å; E38-R42 IonicContact OE1-NH2 3.57Å; E38-R42 PolarHBondContact OE1-NH2 3.05Å; E38-R42 IonicContact OE2-CZ 2.77Å; E38-R42 IonicContact OE2-NH1 3.77Å; E38-R42 IonicContact OE2-NH2 2.96Å; E38-R42 PolarHBondContact OE2-NH2 3.41Å; E38-L71 HydrophobicContact CB-CD2 4.17Å; E38-L71 HydrophobicContact CG-CD1 4.48Å; E38-L71 HydrophobicContact CG-CD2 4.46Å
39D92.3Very high83.5Confident59 Ų5975.6 Ų75.632%0.31637%0.372SS..Hα-helixtrans-67.2-36.1179-74-22.8000112.5N36 V37 R42 K43N36-D39 HydrophobicContact CB-CB 4.18Å; N36-D39 PolarHBondContact O-N 3.43Å; V37-D39 PolarHBondContact O-N 3.47Å; D39-R42 PolarHBondContact O-N 3.27Å; D39-R42 IonicContact OD1-NH1 3.93Å; D39-R42 PolarHBondContact OD1-NH1 2.75Å; D39-K43 WeakPolarHBondContact O-CB 3.07Å; D39-K43 WeakPolarHBondContact O-CD 3Å; D39-K43 WeakPolarHBondContact O-CG 3.26Å; D39-K43 PolarHBondContact O-N 3.49Å
40L92.9Very high84.9Confident1 Ų173.4 Ų73.41%0.00536%0.359CS..Hα-helixtrans-66.1-42175.3-72172.8000111.1L18 R21 L22 D35 N36 V37 E38 K43 G44 A45L18-L40 HydrophobicContact CD2-CD2 3.92Å; R21-L40 HydrophobicContact CB-CD1 4.13Å; R21-L40 HydrophobicContact CB-CD2 4.24Å; L22-L40 HydrophobicContact CB-CD1 4.34Å; L22-L40 HydrophobicContact CD1-CB 4.29Å; D35-L40 HydrophobicContact CB-CD1 4.06Å; N36-L40 VanDerWaalsContact O-CG 3.31Å; N36-L40 WeakPolarHBondContact O-CG 3.31Å; N36-L40 PolarHBondContact O-N 3.24Å; V37-L40 PolarHBondContact O-N 3.46Å; E38-L40 PolarHBondContact O-N 2.7Å; L40-K43 PolarHBondContact O-N 2.78Å; L40-G44 PolarHBondContact O-N 2.92Å; L40-A45 HydrophobicContact CB-CB 4.3Å; L40-A45 WeakPolarHBondContact O-CB 3.24Å; L40-A45 PolarHBondContact O-N 3.32Å
41I94.3Very high86.3Confident22 Ų2267.7 Ų67.711%0.11334%0.341CS..Hα-helixtrans-63.6-46.8174.9-64167.3000110.4L22 V37 E38 K43 G44 V47 L72 K75L22-I41 HydrophobicContact CD1-CD1 4.35Å; L22-I41 HydrophobicContact CD1-CG1 4Å; L22-I41 HydrophobicContact CD2-CG1 4.13Å; V37-I41 HydrophobicContact CG1-CD1 3.94Å; V37-I41 VanDerWaalsContact O-CG1 3.32Å; V37-I41 WeakPolarHBondContact O-CG1 3.34Å; V37-I41 PolarHBondContact O-N 3.49Å; E38-I41 PolarHBondContact O-N 3.13Å; I41-K43 VanDerWaalsContact C-N 3.25Å; I41-K43 PolarHBondContact O-N 3.46Å; I41-G44 WeakPolarHBondContact O-CA 3.4Å; I41-G44 PolarHBondContact O-N 3.45Å; I41-V47 HydrophobicContact CD1-CG1 3.9Å; I41-V47 HydrophobicContact CG1-CG1 3.85Å; I41-V47 HydrophobicContact CG2-CG1 4.12Å; I41-L72 HydrophobicContact CD1-CD2 3.98Å; I41-K75 HydrophobicContact CD1-CG 4.45Å; I41-K75 HydrophobicContact CG2-CB 4.17Å; I41-K75 HydrophobicContact CG2-CD 4.4Å; I41-K75 HydrophobicContact CG2-CG 4.01Å
42R93.9Very high87.9Confident164 Ų16467.2 Ų67.262%0.61935%0.348SS*.Hα-helixtrans-57.8-36.1175.7-73.6173.4-177160.7-4.1112.7E38 D39 G44E38-R42 WeakPolarHBondContact O-CB 3.4Å; E38-R42 VanDerWaalsContact O-CG 3.3Å; E38-R42 WeakPolarHBondContact O-CG 3.28Å; E38-R42 PolarHBondContact O-N 3.15Å; E38-R42 IonicContact OE1-CZ 3.17Å; E38-R42 VanDerWaalsContact OE1-CZ 3.25Å; E38-R42 IonicContact OE1-NE 3.34Å; E38-R42 PolarHBondContact OE1-NE 3.3Å; E38-R42 IonicContact OE1-NH2 3.57Å; E38-R42 PolarHBondContact OE1-NH2 3.05Å; E38-R42 IonicContact OE2-CZ 2.77Å; E38-R42 IonicContact OE2-NH1 3.77Å; E38-R42 IonicContact OE2-NH2 2.96Å; E38-R42 PolarHBondContact OE2-NH2 3.41Å; D39-R42 PolarHBondContact O-N 3.27Å; D39-R42 IonicContact OD1-NH1 3.93Å; D39-R42 PolarHBondContact OD1-NH1 2.75Å; R42-G44 PolarHBondContact O-N 3.48Å
43K92.6Very high89.1Confident132 Ų13264.8 Ų64.857%0.57434%0.342SS*.THydrogen-bonded Turntrans-74.1-4.7175.3-72.8167.7-173.8166.90113.5L18 D39 L40 I41L18-K43 HydrophobicContact CD1-CB 4.01Å; L18-K43 VanDerWaalsContact CD1-O 3.31Å; L18-K43 WeakPolarHBondContact CD1-O 3.5Å; L18-K43 HydrophobicContact CD2-CB 4.41Å; D39-K43 WeakPolarHBondContact O-CB 3.07Å; D39-K43 WeakPolarHBondContact O-CD 3Å; D39-K43 WeakPolarHBondContact O-CG 3.26Å; D39-K43 PolarHBondContact O-N 3.49Å; L40-K43 PolarHBondContact O-N 2.78Å; I41-K43 VanDerWaalsContact C-N 3.25Å; I41-K43 PolarHBondContact O-N 3.46Å
44G92.2Very high90.8Very high28 Ų2860.7 Ų60.729%0.28931%0.313SS..THydrogen-bonded Turntrans99.423.917500000114.9L40 I41 R42L40-G44 PolarHBondContact O-N 2.92Å; I41-G44 WeakPolarHBondContact O-CA 3.4Å; I41-G44 PolarHBondContact O-N 3.45Å; R42-G44 PolarHBondContact O-N 3.48Å
45A93.9Very high92Very high9 Ų954.3 Ų54.37%0.07428%0.283CS..  trans-60137.6164.300000110.1L18 L22 L40L18-A45 HydrophobicContact CB-CB 3.97Å; L22-A45 HydrophobicContact CB-CB 4.14Å; L22-A45 HydrophobicContact CD2-CB 3.94Å; L40-A45 HydrophobicContact CB-CB 4.3Å; L40-A45 WeakPolarHBondContact O-CB 3.24Å; L40-A45 PolarHBondContact O-N 3.32Å
46D94.8Very high92.7Very high71 Ų7153.4 Ų53.438%0.3828%0.278SS..  trans-86.3114.1177.9174.81.1000109.6S19 N48 R49S19-D46 PolarHBondContact OG-N 2.8Å; D46-N48 PolarHBondContact O-N 2.86Å; D46-N48 PolarHBondContact OD1-N 2.99Å; D46-R49 HydrophobicContact CB-CB 3.85Å; D46-R49 WeakPolarHBondContact O-CB 3.46Å; D46-R49 PolarHBondContact O-N 3.28Å; D46-R49 PolarHBondContact OD1-N 3.15Å
47V95.7Very high93.1Very high11 Ų1149.9 Ų49.97%0.06726%0.259CS..THydrogen-bonded Turntrans-67.6-12.4-178.5-62.70000113.8L22 I41 P56 L72 K75 A77L22-V47 HydrophobicContact CD2-CG1 4.46Å; I41-V47 HydrophobicContact CD1-CG1 3.9Å; I41-V47 HydrophobicContact CG1-CG1 3.85Å; I41-V47 HydrophobicContact CG2-CG1 4.12Å; V47-P56 WeakPolarHBondContact O-CD 3.43Å; V47-P56 VanDerWaalsContact O-CG 3.22Å; V47-P56 WeakPolarHBondContact O-CG 3.29Å; V47-L72 HydrophobicContact CB-CD2 4.19Å; V47-L72 HydrophobicContact CG1-CD2 3.97Å; V47-K75 HydrophobicContact CG1-CB 4.17Å; V47-A77 HydrophobicContact CG2-CB 4.47Å
48N95.8Very high93.4Very high31 Ų3149 Ų4917%0.16625%0.254CS..THydrogen-bonded Turntrans-109.4-1.8179.2-70.4-49.5000113.2D46 M50 K55 G76 A77 E78D46-N48 PolarHBondContact O-N 2.86Å; D46-N48 PolarHBondContact OD1-N 2.99Å; N48-M50 PolarHBondContact O-N 3.08Å; N48-K55 PolarHBondContact O-NZ 3.29Å; N48-G76 PolarHBondContact ND2-O 3.48Å; N48-A77 WeakPolarHBondContact OD1-CA 3.48Å; N48-E78 PolarHBondContact OD1-N 3.4Å
49R93.1Very high93.5Very high104 Ų10446.2 Ų46.239%0.39224%0.241SC..  trans-70.1123.4-178.1-174.165.7-177.7-172.4-0.6110.5I23 D46I23-R49 WeakPolarHBondContact CD1-O 3.31Å; D46-R49 HydrophobicContact CB-CB 3.85Å; D46-R49 WeakPolarHBondContact O-CB 3.46Å; D46-R49 PolarHBondContact O-N 3.28Å; D46-R49 PolarHBondContact OD1-N 3.15Å
50M89.9Confident93.7Very high78 Ų7843.4 Ų43.438%0.38423%0.226SC..  trans-73.5135.9174.3-167.7-178.3-71.700111N48 G52 L54 K55N48-M50 PolarHBondContact O-N 3.08Å; M50-G52 WeakPolarHBondContact CG-O 3.33Å; M50-L54 CarbonylContact C-O 3.54Å; M50-L54 VanDerWaalsContact CA-O 3.29Å; M50-L54 WeakPolarHBondContact CA-O 3.4Å; M50-L54 WeakPolarHBondContact CG-O 3.39Å; M50-K55 HydrophobicContact CB-CG 4.18Å; M50-K55 HydrophobicContact CG-CG 4.49Å
51H86.1Confident93.9Very high67 Ų6743.3 Ų43.331%0.3123%0.226SC..BIsolated β-bridgetrans-123.4116.1168.2-176.280.6000109.2E20 I23 T53 L54E20-H51 VanDerWaalsContact CG-CE1 3.46Å; E20-H51 WeakPolarHBondContact CG-CE1 3.49Å; E20-H51 IonicContact OE1-CE1 2.63Å; E20-H51 PolarHBondContact OE1-CE1 3.03Å; E20-H51 VanDerWaalsContact OE1-CE1 3.3Å; E20-H51 IonicContact OE1-NE2 2.66Å; E20-H51 IonicContact OE2-CE1 3.06Å; I23-H51 HydrophobicContact CB-CB 4.4Å; I23-H51 HydrophobicContact CD1-CB 3.39Å; I23-H51 HydrophobicContact CG1-CB 4.44Å; I23-H51 HydrophobicContact CG2-CB 4.33Å; H51-T53 PolarHBondContact O-N 3.38Å; H51-L54 PolarHBondContact N-O 3.11Å; H51-L54 PolarHBondContact O-N 3.27Å
52G87.9Confident93.9Very high68 Ų6846.2 Ų46.270%0.70124%0.24SC*.THydrogen-bonded Turntrans65.9-121.5-165.500000109.9M50M50-G52 WeakPolarHBondContact CG-O 3.33Å
53T91Very high93.9Very high51 Ų5141.7 Ų41.731%0.31323%0.23SC..THydrogen-bonded Turntrans-96.7-15.8176.861.20000113.4H51 D83 G84 Y85H51-T53 PolarHBondContact O-N 3.38Å; T53-D83 CarbonylContact O-C 3.48Å; T53-D83 VanDerWaalsContact O-CA 3.27Å; T53-D83 WeakPolarHBondContact O-CA 3.45Å; T53-D83 VanDerWaalsContact O-CB 3.24Å; T53-D83 WeakPolarHBondContact O-CB 3.38Å; T53-G84 PolarHBondContact O-N 3.39Å; T53-Y85 HydrophobicContact CG2-CE2 4.12Å
54L94.1Very high94Very high32 Ų3237.4 Ų37.417%0.16822%0.22CC..BIsolated β-bridgetrans-105.5156.6-167.7-61.8171.1000112M50 H51 H58 M62 D83 Y92M50-L54 CarbonylContact C-O 3.54Å; M50-L54 VanDerWaalsContact CA-O 3.29Å; M50-L54 WeakPolarHBondContact CA-O 3.4Å; M50-L54 WeakPolarHBondContact CG-O 3.39Å; H51-L54 PolarHBondContact N-O 3.11Å; H51-L54 PolarHBondContact O-N 3.27Å; L54-H58 HydrophobicContact CB-CB 4.32Å; L54-H58 HydrophobicContact CD2-CB 3.85Å; L54-M62 HydrophobicContact CD1-CE 4.41Å; L54-M62 HydrophobicContact CD1-SD 3.59Å; L54-M62 VanDerWaalsContact CD1-SD 3.59Å; L54-M62 HydrophobicContact CD2-SD 4.18Å; L54-D83 HydrophobicContact CD2-CB 4.24Å; L54-Y92 HydrophobicContact CD2-CE2 4.26Å
55K95.9Very high94.1Very high29 Ų2939.1 Ų39.113%0.12622%0.222CC..  trans-110.3162.3170-66.4173.6172.6-114.70108.5N48 M50 L57 H58 C59 E78 A81N48-K55 PolarHBondContact O-NZ 3.29Å; M50-K55 HydrophobicContact CB-CG 4.18Å; M50-K55 HydrophobicContact CG-CG 4.49Å; K55-L57 VanDerWaalsContact C-N 3.25Å; K55-L57 PolarHBondContact O-N 3.44Å; K55-H58 WeakPolarHBondContact CB-ND1 3.42Å; K55-H58 PolarHBondContact N-ND1 3.45Å; K55-H58 WeakPolarHBondContact O-CB 3.46Å; K55-H58 PolarHBondContact O-N 2.9Å; K55-C59 PolarHBondContact O-N 3.49Å; K55-E78 IonicContact NZ-OE2 2.62Å; K55-E78 PolarHBondContact NZ-OE2 2.97Å; K55-A81 HydrophobicContact CD-CB 3.57Å
56P96.6Very high94.3Very high0 Ų039.7 Ų39.70%023%0.227CC..Hα-helixtrans-49.5-45-179.6-29.237.9000113.4L22 I23 I26 V47 H58 C59 A60 L72L22-P56 HydrophobicContact CD2-CB 4.28Å; L22-P56 HydrophobicContact CD2-CG 3.96Å; L22-P56 HydrophobicContact CG-CG 4.47Å; I23-P56 HydrophobicContact CD1-CG 4.02Å; I23-P56 HydrophobicContact CG1-CB 4.28Å; I23-P56 HydrophobicContact CG1-CG 3.69Å; I26-P56 HydrophobicContact CD1-CB 3.72Å; V47-P56 WeakPolarHBondContact O-CD 3.43Å; V47-P56 VanDerWaalsContact O-CG 3.22Å; V47-P56 WeakPolarHBondContact O-CG 3.29Å; P56-H58 PolarHBondContact O-N 3.04Å; P56-C59 WeakPolarHBondContact O-CB 3.43Å; P56-C59 PolarHBondContact O-N 2.95Å; P56-C59 VanDerWaalsContact O-N 3.12Å; P56-A60 PolarHBondContact O-N 3.34Å; P56-L72 HydrophobicContact CB-CD1 3.96Å; P56-L72 HydrophobicContact CB-CD2 3.9Å
57L97.8Very high94.3Very high6 Ų642.4 Ų42.43%0.03124%0.242CC..Hα-helixtrans-62.6-38.7-179.9-168.866.3000113K55 C59 A60 C61 V69 L72 L73 A77 A89 L104K55-L57 VanDerWaalsContact C-N 3.25Å; K55-L57 PolarHBondContact O-N 3.44Å; L57-C59 VanDerWaalsContact C-N 3.34Å; L57-C59 PolarHBondContact O-N 2.84Å; L57-A60 PolarHBondContact O-N 3.27Å; L57-C61 PolarHBondContact O-N 2.87Å; L57-C61 PolarHBondContact O-SG 3.5Å; L57-V69 HydrophobicContact CD1-CG1 4.08Å; L57-L72 HydrophobicContact CD1-CB 4.12Å; L57-L72 HydrophobicContact CD1-CD1 4.43Å; L57-L73 HydrophobicContact CD1-CD2 4.15Å; L57-L73 HydrophobicContact CD1-CG 4.02Å; L57-L73 HydrophobicContact CD2-CD2 3.91Å; L57-A77 HydrophobicContact CB-CB 4.33Å; L57-A77 HydrophobicContact CD1-CB 4.45Å; L57-A77 HydrophobicContact CD2-CB 4.24Å; L57-A89 HydrophobicContact CB-CB 4.46Å; L57-A89 HydrophobicContact CD2-CB 3.8Å; L57-A89 HydrophobicContact CG-CB 3.7Å; L57-L104 HydrophobicContact CD1-CD2 4.37Å; L57-L104 HydrophobicContact CD2-CD2 4.08Å; L57-L104 HydrophobicContact CG-CD2 4.39Å
58H97.3Very high94.3Very high2 Ų242.2 Ų42.21%0.00924%0.24CC..Hα-helixtrans-61.5-44.2173.7-60.9116.8000111.2L54 K55 P56 C61 M62 A81 D83 R87 T88 A89 Y92L54-H58 HydrophobicContact CB-CB 4.32Å; L54-H58 HydrophobicContact CD2-CB 3.85Å; K55-H58 WeakPolarHBondContact CB-ND1 3.42Å; K55-H58 PolarHBondContact N-ND1 3.45Å; K55-H58 WeakPolarHBondContact O-CB 3.46Å; K55-H58 PolarHBondContact O-N 2.9Å; P56-H58 PolarHBondContact O-N 3.04Å; H58-C61 PolarHBondContact O-N 3.43Å; H58-M62 WeakPolarHBondContact O-CG 3.4Å; H58-M62 PolarHBondContact O-N 2.86Å; H58-A81 PolarHBondContact CE1-O 3.24Å; H58-A81 PolarHBondContact NE2-O 2.98Å; H58-A81 VanDerWaalsContact NE2-O 3.16Å; H58-D83 PolarHBondContact CE1-N 3.06Å; H58-R87 PolarHBondContact NE2-O 3.46Å; H58-R87 VanDerWaalsContact NE2-O 3.16Å; H58-T88 VanDerWaalsContact CD2-C 3.5Å; H58-A89 PolarHBondContact CD2-N 3.47Å; H58-A89 PolarHBondContact NE2-N 3.3Å; H58-Y92 HydrophobicContact CB-CD2 4.26Å; H58-Y92 HydrophobicContact CB-CE2 4.22Å; H58-Y92 AromaticContact CD2-CD2 3.87Å; H58-Y92 AromaticContact CD2-CE2 3.78Å
59C95.4Very high94.4Very high5 Ų540.7 Ų40.73%0.03423%0.233CC..Hα-helixtrans-65-42.1179.9-650000112.1I26 A27 K55 P56 L57 C61 M62 V63I26-C59 HydrophobicContact CB-CB 4.43Å; I26-C59 HydrophobicContact CG2-CB 3.78Å; A27-C59 HydrophobicContact CB-CB 4.42Å; K55-C59 PolarHBondContact O-N 3.49Å; P56-C59 WeakPolarHBondContact O-CB 3.43Å; P56-C59 PolarHBondContact O-N 2.95Å; P56-C59 VanDerWaalsContact O-N 3.12Å; L57-C59 VanDerWaalsContact C-N 3.34Å; L57-C59 PolarHBondContact O-N 2.84Å; C59-C61 VanDerWaalsContact C-N 3.31Å; C59-C61 PolarHBondContact O-N 3.33Å; C59-M62 WeakPolarHBondContact O-CB 3.37Å; C59-M62 PolarHBondContact O-N 3.46Å; C59-V63 WeakPolarHBondContact O-CG2 3.35Å; C59-V63 PolarHBondContact O-N 3.27Å
60A96.3Very high94.7Very high0 Ų039.5 Ų39.50%023%0.231CC..Hα-helixtrans-59.6-43.1177.500000111.4I26 P56 L57 M62 V63 A64 D65 C68 V69 L72I26-A60 HydrophobicContact CG2-CB 3.95Å; P56-A60 PolarHBondContact O-N 3.34Å; L57-A60 PolarHBondContact O-N 3.27Å; A60-M62 PolarHBondContact O-N 3.5Å; A60-V63 VanDerWaalsContact O-CG2 3.29Å; A60-V63 WeakPolarHBondContact O-CG2 3.38Å; A60-V63 PolarHBondContact O-N 2.86Å; A60-A64 PolarHBondContact O-N 3.35Å; A60-A64 VanDerWaalsContact O-N 3.15Å; A60-D65 PolarHBondContact O-N 2.88Å; A60-D65 VanDerWaalsContact O-N 3.12Å; A60-C68 HydrophobicContact CB-CB 4.2Å; A60-V69 HydrophobicContact CB-CG2 3.66Å; A60-L72 HydrophobicContact CB-CD1 3.9Å
61C97Very high95.1Very high0 Ų037.4 Ų37.40%022%0.221CC..Hα-helixtrans-67-36175.6-62.60000112.9L57 H58 C59 V63 A64 A93L57-C61 PolarHBondContact O-N 2.87Å; L57-C61 PolarHBondContact O-SG 3.5Å; H58-C61 PolarHBondContact O-N 3.43Å; C59-C61 VanDerWaalsContact C-N 3.31Å; C59-C61 PolarHBondContact O-N 3.33Å; C61-V63 VanDerWaalsContact C-N 3.26Å; C61-V63 PolarHBondContact O-N 2.99Å; C61-A64 PolarHBondContact O-N 3.43Å; C61-A93 HydrophobicContact CB-CB 4.13Å
62M93.9Very high95.6Very high82 Ų8234.2 Ų34.240%0.40421%0.207SC..Hα-helixtrans-64.1-31177.2-76.5177.366.400113.2L54 H58 C59 A60 Y92L54-M62 HydrophobicContact CD1-CE 4.41Å; L54-M62 HydrophobicContact CD1-SD 3.59Å; L54-M62 VanDerWaalsContact CD1-SD 3.59Å; L54-M62 HydrophobicContact CD2-SD 4.18Å; H58-M62 WeakPolarHBondContact O-CG 3.4Å; H58-M62 PolarHBondContact O-N 2.86Å; C59-M62 WeakPolarHBondContact O-CB 3.37Å; C59-M62 PolarHBondContact O-N 3.46Å; A60-M62 PolarHBondContact O-N 3.5Å; M62-Y92 HydrophobicContact CG-CD1 3.34Å; M62-Y92 HydrophobicContact CG-CE1 3.94Å; M62-Y92 HydrophobicContact CG-CG 3.78Å; M62-Y92 HydrophobicContact SD-CD1 3.93Å; M62-Y92 HydrophobicContact SD-CE1 3.87Å
63V93.8Very high96.1Very high69 Ų6931.5 Ų31.542%0.41818%0.176SC..THydrogen-bonded Turntrans-95.61.7177.9-58.10000113.3C59 A60 C61 D65C59-V63 WeakPolarHBondContact O-CG2 3.35Å; C59-V63 PolarHBondContact O-N 3.27Å; A60-V63 VanDerWaalsContact O-CG2 3.29Å; A60-V63 WeakPolarHBondContact O-CG2 3.38Å; A60-V63 PolarHBondContact O-N 2.86Å; C61-V63 VanDerWaalsContact C-N 3.26Å; C61-V63 PolarHBondContact O-N 2.99Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 HydrophobicContact CG2-CB 3.84Å; V63-D65 PolarHBondContact O-N 2.9Å
64A95.6Very high96.4Very high42 Ų4234.6 Ų34.635%0.34719%0.187SC..THydrogen-bonded Turntrans56.940.6-178.600000113.9A60 C61 K96 D97A60-A64 PolarHBondContact O-N 3.35Å; A60-A64 VanDerWaalsContact O-N 3.15Å; C61-A64 PolarHBondContact O-N 3.43Å; A64-K96 HydrophobicContact CB-CB 4.32Å; A64-D97 HydrophobicContact CB-CB 3.67Å
65D95.4Very high96.6Very high64 Ų6437.7 Ų37.734%0.34220%0.199SC..  trans-9987.7178.3-173.1-16.8000110A60 V63 D67 C68 V69A60-D65 PolarHBondContact O-N 2.88Å; A60-D65 VanDerWaalsContact O-N 3.12Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 HydrophobicContact CG2-CB 3.84Å; V63-D65 PolarHBondContact O-N 2.9Å; D65-D67 VanDerWaalsContact C-N 3.34Å; D65-D67 PolarHBondContact O-N 2.76Å; D65-D67 PolarHBondContact OD1-N 3.29Å; D65-C68 HydrophobicContact CB-CB 3.88Å; D65-C68 PolarHBondContact O-N 3.14Å; D65-C68 WeakPolarHBondContact OD1-CB 3.06Å; D65-C68 PolarHBondContact OD1-N 2.91Å; D65-C68 WeakPolarHBondContact OD2-CB 3.5Å; D65-V69 WeakPolarHBondContact O-CG2 3.22Å; D65-V69 PolarHBondContact O-N 3.39Å
66A96.2Very high96.7Very high21 Ų2138.4 Ų38.417%0.17422%0.215CC..Hα-helixtrans-61-39.4-177.700000112.6C68 V69 E70 L103A66-C68 VanDerWaalsContact C-N 3.32Å; A66-C68 PolarHBondContact O-N 3.16Å; A66-V69 WeakPolarHBondContact O-CB 3.34Å; A66-V69 PolarHBondContact O-N 2.98Å; A66-E70 PolarHBondContact O-N 2.88Å; A66-L103 HydrophobicContact CB-CD1 3.92Å
67D96.2Very high96.7Very high129 Ų12938.9 Ų38.969%0.6922%0.219SC*.Hα-helixtrans-62.3-41.7176.7-63.6-27.3000110.6D65 L71D65-D67 VanDerWaalsContact C-N 3.34Å; D65-D67 PolarHBondContact O-N 2.76Å; D65-D67 PolarHBondContact OD1-N 3.29Å; D67-L71 WeakPolarHBondContact O-CB 3.42Å; D67-L71 PolarHBondContact O-N 3.49Å
68C96.1Very high96.8Very high6 Ų643.5 Ų43.54%0.04124%0.24CC..Hα-helixtrans-68.6-37.8175.5-170.90000112.3A60 D65 A66 L72A60-C68 HydrophobicContact CB-CB 4.2Å; D65-C68 HydrophobicContact CB-CB 3.88Å; D65-C68 PolarHBondContact O-N 3.14Å; D65-C68 WeakPolarHBondContact OD1-CB 3.06Å; D65-C68 PolarHBondContact OD1-N 2.91Å; D65-C68 WeakPolarHBondContact OD2-CB 3.5Å; A66-C68 VanDerWaalsContact C-N 3.32Å; A66-C68 PolarHBondContact O-N 3.16Å; C68-L72 WeakPolarHBondContact O-CB 3.42Å; C68-L72 WeakPolarHBondContact O-CG 3.39Å; C68-L72 PolarHBondContact O-N 3.3Å
69V97.9Very high96.8Very high0 Ų044.4 Ų44.40%025%0.246CC..Hα-helixtrans-59.3-51.8173.7167.70000110.5L57 A60 D65 A66 L71 L72 L73 L104L57-V69 HydrophobicContact CD1-CG1 4.08Å; A60-V69 HydrophobicContact CB-CG2 3.66Å; D65-V69 WeakPolarHBondContact O-CG2 3.22Å; D65-V69 PolarHBondContact O-N 3.39Å; A66-V69 WeakPolarHBondContact O-CB 3.34Å; A66-V69 PolarHBondContact O-N 2.98Å; V69-L71 PolarHBondContact O-N 3.03Å; V69-L72 PolarHBondContact O-N 3.29Å; V69-L73 HydrophobicContact CG1-CD1 3.74Å; V69-L73 HydrophobicContact CG1-CG 4.48Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.15Å; V69-L73 PolarHBondContact O-N 3.05Å; V69-L104 HydrophobicContact CG1-CD2 4.22Å; V69-L104 HydrophobicContact CG1-CG 4.28Å
70E98.2Very high97Very high79 Ų7946.5 Ų46.537%0.36926%0.256SS..Hα-helixtrans-58.1-50.5178.4-175.1174.4-137.200110.9A66 L72 L73 E74 L103A66-E70 PolarHBondContact O-N 2.88Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.08Å; E70-L73 PolarHBondContact O-N 3.03Å; E70-L73 VanDerWaalsContact O-N 3.14Å; E70-E74 HydrophobicContact CG-CG 4.5Å; E70-E74 WeakPolarHBondContact O-CG 3.38Å; E70-E74 PolarHBondContact O-N 3.07Å; E70-L103 HydrophobicContact CB-CD1 4.37Å
71L97.6Very high97Very high33 Ų3347 Ų4717%0.17326%0.261CS..Hα-helixtrans-55.7-45.1177.4175.863.6000112.2V37 E38 D67 V69 E74 K75V37-L71 HydrophobicContact CG1-CD2 3.92Å; E38-L71 HydrophobicContact CB-CD2 4.17Å; E38-L71 HydrophobicContact CG-CD1 4.48Å; E38-L71 HydrophobicContact CG-CD2 4.46Å; D67-L71 WeakPolarHBondContact O-CB 3.42Å; D67-L71 PolarHBondContact O-N 3.49Å; V69-L71 PolarHBondContact O-N 3.03Å; L71-E74 PolarHBondContact O-N 3.38Å; L71-K75 HydrophobicContact CD1-CG 4.19Å; L71-K75 WeakPolarHBondContact O-CG 3.08Å; L71-K75 PolarHBondContact O-N 2.91Å; L71-K75 VanDerWaalsContact O-N 3.12Å
72L98.1Very high97.1Very high0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-64.8-41.5179.9-73.5169.6000111.6I26 I41 V47 P56 L57 A60 C68 V69 E70 K75 G76 A77I26-L72 HydrophobicContact CD1-CD1 4.01Å; I26-L72 HydrophobicContact CD1-CD2 4.42Å; I41-L72 HydrophobicContact CD1-CD2 3.98Å; V47-L72 HydrophobicContact CB-CD2 4.19Å; V47-L72 HydrophobicContact CG1-CD2 3.97Å; P56-L72 HydrophobicContact CB-CD1 3.96Å; P56-L72 HydrophobicContact CB-CD2 3.9Å; L57-L72 HydrophobicContact CD1-CB 4.12Å; L57-L72 HydrophobicContact CD1-CD1 4.43Å; A60-L72 HydrophobicContact CB-CD1 3.9Å; C68-L72 WeakPolarHBondContact O-CB 3.42Å; C68-L72 WeakPolarHBondContact O-CG 3.39Å; C68-L72 PolarHBondContact O-N 3.3Å; V69-L72 PolarHBondContact O-N 3.29Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.08Å; L72-K75 CarbonylContact O-C 3.53Å; L72-K75 PolarHBondContact O-N 3.05Å; L72-G76 PolarHBondContact O-N 2.92Å; L72-A77 HydrophobicContact CB-CB 4Å; L72-A77 WeakPolarHBondContact O-CB 3.23Å; L72-A77 PolarHBondContact O-N 3.23Å
73L98.3Very high97.2Very high12 Ų1247.3 Ų47.36%0.06326%0.264CS..Hα-helixtrans-64.2-45177.5-69166.5000111.4L57 V69 E70 K75 G76 V79 L104 Y107L57-L73 HydrophobicContact CD1-CD2 4.15Å; L57-L73 HydrophobicContact CD1-CG 4.02Å; L57-L73 HydrophobicContact CD2-CD2 3.91Å; V69-L73 HydrophobicContact CG1-CD1 3.74Å; V69-L73 HydrophobicContact CG1-CG 4.48Å; V69-L73 VanDerWaalsContact O-CG 3.29Å; V69-L73 WeakPolarHBondContact O-CG 3.15Å; V69-L73 PolarHBondContact O-N 3.05Å; E70-L73 PolarHBondContact O-N 3.03Å; E70-L73 VanDerWaalsContact O-N 3.14Å; L73-K75 PolarHBondContact O-N 3.31Å; L73-G76 PolarHBondContact O-N 3.09Å; L73-V79 HydrophobicContact CD2-CB 3.92Å; L73-V79 HydrophobicContact CD2-CG2 4.04Å; L73-L104 HydrophobicContact CD1-CD2 4.23Å; L73-L104 HydrophobicContact CD2-CD2 4.47Å; L73-Y107 HydrophobicContact CB-CD1 3.69Å; L73-Y107 HydrophobicContact CB-CD2 4.42Å; L73-Y107 HydrophobicContact CB-CE1 3.66Å; L73-Y107 HydrophobicContact CB-CE2 4.39Å; L73-Y107 HydrophobicContact CB-CG 4.07Å; L73-Y107 HydrophobicContact CD1-CD1 4.27Å; L73-Y107 HydrophobicContact CD1-CD2 3.77Å; L73-Y107 HydrophobicContact CD1-CE2 4.24Å; L73-Y107 HydrophobicContact CD1-CG 3.75Å; L73-Y107 HydrophobicContact CD2-CD1 4.38Å; L73-Y107 HydrophobicContact CD2-CG 4.36Å; L73-Y107 HydrophobicContact CG-CD1 4.33Å; L73-Y107 HydrophobicContact CG-CG 4.28Å
74E98Very high97.3Very high115 Ų11546.2 Ų46.254%0.53727%0.267SS..Hα-helixtrans-58.6-32173.9-72.8-170.315700112.9E70 L71 G76E70-E74 HydrophobicContact CG-CG 4.5Å; E70-E74 WeakPolarHBondContact O-CG 3.38Å; E70-E74 PolarHBondContact O-N 3.07Å; L71-E74 PolarHBondContact O-N 3.38Å; E74-G76 VanDerWaalsContact C-N 3.26Å; E74-G76 PolarHBondContact O-N 2.96Å
75K97.5Very high97.2Very high97 Ų9751.1 Ų51.142%0.42228%0.277SS..THydrogen-bonded Turntrans-87.810.1177.7-58.7-58.7175.2-1430113.4I41 V47 L71 L72 L73I41-K75 HydrophobicContact CD1-CG 4.45Å; I41-K75 HydrophobicContact CG2-CB 4.17Å; I41-K75 HydrophobicContact CG2-CD 4.4Å; I41-K75 HydrophobicContact CG2-CG 4.01Å; V47-K75 HydrophobicContact CG1-CB 4.17Å; L71-K75 HydrophobicContact CD1-CG 4.19Å; L71-K75 WeakPolarHBondContact O-CG 3.08Å; L71-K75 PolarHBondContact O-N 2.91Å; L71-K75 VanDerWaalsContact O-N 3.12Å; L72-K75 CarbonylContact O-C 3.53Å; L72-K75 PolarHBondContact O-N 3.05Å; L73-K75 PolarHBondContact O-N 3.31Å
76G97Very high97.3Very high44 Ų4452.2 Ų52.245%0.45428%0.283SS..THydrogen-bonded Turntrans89.12717200000114.4N48 L72 L73 E74 E78N48-G76 PolarHBondContact ND2-O 3.48Å; L72-G76 PolarHBondContact O-N 2.92Å; L73-G76 PolarHBondContact O-N 3.09Å; E74-G76 VanDerWaalsContact C-N 3.26Å; E74-G76 PolarHBondContact O-N 2.96Å; G76-E78 PolarHBondContact O-N 3.3Å
77A98Very high97.4Very high10 Ų1053.2 Ų53.28%0.08328%0.282CS..  trans-61.3135.216800000110.7V47 N48 L57 L72 V79V47-A77 HydrophobicContact CG2-CB 4.47Å; N48-A77 WeakPolarHBondContact OD1-CA 3.48Å; L57-A77 HydrophobicContact CB-CB 4.33Å; L57-A77 HydrophobicContact CD1-CB 4.45Å; L57-A77 HydrophobicContact CD2-CB 4.24Å; L72-A77 HydrophobicContact CB-CB 4Å; L72-A77 WeakPolarHBondContact O-CB 3.23Å; L72-A77 PolarHBondContact O-N 3.23Å; A77-V79 PolarHBondContact O-N 3.23Å; A77-V79 VanDerWaalsContact O-N 3.11Å
78E98.4Very high97.5Very high104 Ų10447.2 Ų47.249%0.48625%0.25SS..  trans-73.1100.5177.5-71.6166.4177.700109.7N48 K55 G76 N80 A81N48-E78 PolarHBondContact OD1-N 3.4Å; K55-E78 IonicContact NZ-OE2 2.62Å; K55-E78 PolarHBondContact NZ-OE2 2.97Å; G76-E78 PolarHBondContact O-N 3.3Å; E78-N80 PolarHBondContact O-N 3.42Å; E78-N80 VanDerWaalsContact O-N 3.15Å; E78-A81 HydrophobicContact CB-CB 3.62Å; E78-A81 VanDerWaalsContact O-CB 3.28Å; E78-A81 WeakPolarHBondContact O-CB 3.39Å; E78-A81 PolarHBondContact O-N 2.91Å
79V98.5Very high97.6Very high21 Ų2146.9 Ų46.913%0.12725%0.248CC..THydrogen-bonded Turntrans-54.3-36-175.9700000114L73 A77 L104 A109L73-V79 HydrophobicContact CD2-CB 3.92Å; L73-V79 HydrophobicContact CD2-CG2 4.04Å; A77-V79 PolarHBondContact O-N 3.23Å; A77-V79 VanDerWaalsContact O-N 3.11Å; V79-L104 HydrophobicContact CG2-CD2 3.85Å; V79-A109 HydrophobicContact CG2-CB 3.74Å
80N98.4Very high97.7Very high48 Ų4846.9 Ų46.926%0.25725%0.248SC..THydrogen-bonded Turntrans-102.716-179.4-68.6-55.2000112.9E78 G108 A109 Q110E78-N80 PolarHBondContact O-N 3.42Å; E78-N80 VanDerWaalsContact O-N 3.15Å; N80-G108 PolarHBondContact ND2-O 3.11Å; N80-A109 WeakPolarHBondContact OD1-CA 3.41Å; N80-Q110 PolarHBondContact OD1-N 3.32Å
81A98Very high97.7Very high12 Ų1243.2 Ų43.210%0.09923%0.231CC..  trans-62.1143.6175.900000111.2K55 H58 E78K55-A81 HydrophobicContact CD-CB 3.57Å; H58-A81 PolarHBondContact CE1-O 3.24Å; H58-A81 PolarHBondContact NE2-O 2.98Å; H58-A81 VanDerWaalsContact NE2-O 3.16Å; E78-A81 HydrophobicContact CB-CB 3.62Å; E78-A81 VanDerWaalsContact O-CB 3.28Å; E78-A81 WeakPolarHBondContact O-CB 3.39Å; E78-A81 PolarHBondContact O-N 2.91Å
82L97.9Very high97.7Very high83 Ų8342.7 Ų42.744%0.43523%0.227SC..  trans-93.3141.3177.4-56.1-178.4000110.6R87 T88L82-R87 CarbonylContact C-O 3.56Å; L82-R87 WeakPolarHBondContact CA-O 3.36Å; L82-T88 HydrophobicContact CD2-CG2 3.76Å
83D96.2Very high97.7Very high5 Ų542.7 Ų42.73%0.02723%0.227CC..  trans-85.3-177.3167.5101.6-44.8000110.9T53 L54 H58 Y85 N86 R87 Y92T53-D83 CarbonylContact O-C 3.48Å; T53-D83 VanDerWaalsContact O-CA 3.27Å; T53-D83 WeakPolarHBondContact O-CA 3.45Å; T53-D83 VanDerWaalsContact O-CB 3.24Å; T53-D83 WeakPolarHBondContact O-CB 3.38Å; L54-D83 HydrophobicContact CD2-CB 4.24Å; H58-D83 PolarHBondContact CE1-N 3.06Å; D83-Y85 PolarHBondContact O-N 3.43Å; D83-Y85 WeakPolarHBondContact OD1-CA 3.5Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.49Å; D83-Y85 PolarHBondContact OD1-N 3.12Å; D83-Y85 WeakPolarHBondContact OD2-CD2 3.43Å; D83-N86 PolarHBondContact O-N 3.41Å; D83-N86 VanDerWaalsContact O-N 3.11Å; D83-N86 PolarHBondContact OD1-N 2.92Å; D83-R87 PolarHBondContact N-O 2.94Å; D83-R87 WeakPolarHBondContact OD1-CB 3.44Å; D83-R87 PolarHBondContact OD1-N 3.16Å; D83-Y92 PolarHBondContact OD2-OH 3.39Å
84G95.2Very high97.6Very high46 Ų4642.1 Ų42.147%0.47422%0.224SC..THydrogen-bonded Turntrans-66.9-10.8178.900000115.8T53T53-G84 PolarHBondContact O-N 3.39Å
85Y94.9Very high97.4Very high144 Ų14438.6 Ų38.657%0.56521%0.207SC*.THydrogen-bonded Turntrans-105.715.2173.5-58.7-75.6000112.3T53 D83 R87 G116T53-Y85 HydrophobicContact CG2-CE2 4.12Å; D83-Y85 PolarHBondContact O-N 3.43Å; D83-Y85 WeakPolarHBondContact OD1-CA 3.5Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.49Å; D83-Y85 PolarHBondContact OD1-N 3.12Å; D83-Y85 WeakPolarHBondContact OD2-CD2 3.43Å; Y85-R87 PolarHBondContact O-N 2.87Å; Y85-G116 PolarHBondContact O-N 3.48Å
86N97.2Very high97.2Very high87 Ų8739.1 Ų39.147%0.46521%0.21SC..SBendtrans59.824.3-172.5-59.2-27.8000113.8D83 D115D83-N86 PolarHBondContact O-N 3.41Å; D83-N86 VanDerWaalsContact O-N 3.11Å; D83-N86 PolarHBondContact OD1-N 2.92Å; N86-D115 WeakPolarHBondContact O-CA 3.43Å
87R98.2Very high97Very high42 Ų4239 Ų3916%0.15820%0.198CC..  trans-88.6145.8175.8-68.9176.2179.3178.77.2110.7H58 L82 D83 Y85 H91 Y92 D115 W124H58-R87 PolarHBondContact NE2-O 3.46Å; H58-R87 VanDerWaalsContact NE2-O 3.16Å; L82-R87 CarbonylContact C-O 3.56Å; L82-R87 WeakPolarHBondContact CA-O 3.36Å; D83-R87 PolarHBondContact N-O 2.94Å; D83-R87 WeakPolarHBondContact OD1-CB 3.44Å; D83-R87 PolarHBondContact OD1-N 3.16Å; Y85-R87 PolarHBondContact O-N 2.87Å; R87-H91 HydrophobicContact CB-CB 4.16Å; R87-H91 HydrophobicContact CG-CB 4.31Å; R87-Y92 HydrophobicContact CB-CE2 3.75Å; R87-D115 HydrophobicContact CB-CB 4.48Å; R87-D115 HydrophobicContact CG-CB 3.49Å; R87-D115 VanDerWaalsContact CG-CB 3.49Å; R87-D115 IonicContact CZ-OD2 3.99Å; R87-D115 IonicContact NE-OD2 3.89Å; R87-D115 PolarHBondContact NE-OD2 3.03Å; R87-D115 IonicContact NH2-OD2 3.3Å; R87-D115 PolarHBondContact NH2-OD2 3.43Å; R87-W124 VanDerWaalsContact CZ-CZ2 3.45Å
88T98.4Very high97Very high3 Ų341.7 Ų41.72%0.01821%0.209CC..  trans-89165.6164.963.80000110.7H58 L82 L90 H91 Y92 A113H58-T88 VanDerWaalsContact CD2-C 3.5Å; L82-T88 HydrophobicContact CD2-CG2 3.76Å; T88-L90 PolarHBondContact O-N 2.69Å; T88-L90 PolarHBondContact OG1-N 2.92Å; T88-H91 PolarHBondContact N-ND1 2.84Å; T88-H91 VanDerWaalsContact N-ND1 3.15Å; T88-H91 WeakPolarHBondContact O-CB 3.26Å; T88-H91 PolarHBondContact O-N 3.34Å; T88-H91 VanDerWaalsContact O-N 3.08Å; T88-H91 PolarHBondContact OG1-CE1 3.38Å; T88-H91 PolarHBondContact OG1-ND1 3.44Å; T88-Y92 WeakPolarHBondContact O-CD2 3.09Å; T88-A113 HydrophobicContact CG2-CB 3.88Å
89A98.3Very high97Very high0 Ų039.4 Ų39.40%021%0.205CC..Hα-helixtrans-52.9-36171.600000112.6L57 H58 H91 Y92 A93 L104L57-A89 HydrophobicContact CB-CB 4.46Å; L57-A89 HydrophobicContact CD2-CB 3.8Å; L57-A89 HydrophobicContact CG-CB 3.7Å; H58-A89 PolarHBondContact CD2-N 3.47Å; H58-A89 PolarHBondContact NE2-N 3.3Å; A89-H91 VanDerWaalsContact C-N 3.27Å; A89-H91 PolarHBondContact O-N 2.97Å; A89-Y92 PolarHBondContact O-N 3.02Å; A89-A93 PolarHBondContact O-N 2.98Å; A89-L104 HydrophobicContact CB-CD1 4.03Å; A89-L104 HydrophobicContact CB-CD2 4Å
90L98.7Very high96.9Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-61.8-30.4179.3-170.962.2000113.4T88 Y92 A94 V101 L104 L105 A109 P121 L137T88-L90 PolarHBondContact O-N 2.69Å; T88-L90 PolarHBondContact OG1-N 2.92Å; L90-Y92 VanDerWaalsContact C-N 3.32Å; L90-Y92 PolarHBondContact O-N 2.94Å; L90-A94 WeakPolarHBondContact O-CB 3.13Å; L90-A94 PolarHBondContact O-N 2.72Å; L90-V101 HydrophobicContact CD1-CB 4.33Å; L90-V101 HydrophobicContact CD1-CG1 4.1Å; L90-V101 HydrophobicContact CD1-CG2 4.22Å; L90-L104 HydrophobicContact CB-CD1 4.17Å; L90-L104 HydrophobicContact CD1-CB 4.06Å; L90-L104 HydrophobicContact CD1-CD1 4.09Å; L90-L105 HydrophobicContact CD1-CG 4.28Å; L90-L105 HydrophobicContact CD2-CD2 3.91Å; L90-A109 HydrophobicContact CB-CB 4.27Å; L90-A109 HydrophobicContact CD2-CB 3.88Å; L90-A109 HydrophobicContact CG-CB 4.47Å; L90-P121 HydrophobicContact CB-CG 4.21Å; L90-P121 HydrophobicContact CD2-CB 4.25Å; L90-P121 HydrophobicContact CD2-CG 3.89Å; L90-P121 HydrophobicContact CG-CB 3.93Å; L90-P121 HydrophobicContact CG-CG 3.84Å; L90-L137 HydrophobicContact CD1-CD2 4.14Å; L90-L137 HydrophobicContact CD2-CD2 3.94Å; L90-L137 HydrophobicContact CG-CD2 4.16Å
91H98.4Very high96.9Very high2 Ų236.1 Ų36.11%0.00919%0.187CC..Hα-helixtrans-64.9-38.5175-68.379.9000111.8R87 T88 A89 A113 D119 W124R87-H91 HydrophobicContact CB-CB 4.16Å; R87-H91 HydrophobicContact CG-CB 4.31Å; T88-H91 PolarHBondContact N-ND1 2.84Å; T88-H91 VanDerWaalsContact N-ND1 3.15Å; T88-H91 WeakPolarHBondContact O-CB 3.26Å; T88-H91 PolarHBondContact O-N 3.34Å; T88-H91 VanDerWaalsContact O-N 3.08Å; T88-H91 PolarHBondContact OG1-CE1 3.38Å; T88-H91 PolarHBondContact OG1-ND1 3.44Å; A89-H91 VanDerWaalsContact C-N 3.27Å; A89-H91 PolarHBondContact O-N 2.97Å; H91-A113 PolarHBondContact NE2-O 3Å; H91-D119 PolarHBondContact NE2-O 2.98Å; H91-W124 AromaticContact CD2-CD1 3.71Å; H91-W124 AromaticContact CD2-NE1 3.86Å
92Y97.5Very high97Very high22 Ų2239.8 Ų39.89%0.08620%0.202CC..Hα-helixtrans-75.5-41.9179.2-65.4-79.7000111.6L54 H58 M62 D83 R87 T88 A89 L90 A94 E95L54-Y92 HydrophobicContact CD2-CE2 4.26Å; H58-Y92 HydrophobicContact CB-CD2 4.26Å; H58-Y92 HydrophobicContact CB-CE2 4.22Å; H58-Y92 AromaticContact CD2-CD2 3.87Å; H58-Y92 AromaticContact CD2-CE2 3.78Å; M62-Y92 HydrophobicContact CG-CD1 3.34Å; M62-Y92 HydrophobicContact CG-CE1 3.94Å; M62-Y92 HydrophobicContact CG-CG 3.78Å; M62-Y92 HydrophobicContact SD-CD1 3.93Å; M62-Y92 HydrophobicContact SD-CE1 3.87Å; D83-Y92 PolarHBondContact OD2-OH 3.39Å; R87-Y92 HydrophobicContact CB-CE2 3.75Å; T88-Y92 WeakPolarHBondContact O-CD2 3.09Å; A89-Y92 PolarHBondContact O-N 3.02Å; L90-Y92 VanDerWaalsContact C-N 3.32Å; L90-Y92 PolarHBondContact O-N 2.94Å; Y92-A94 VanDerWaalsContact C-N 3.32Å; Y92-A94 PolarHBondContact O-N 3.02Å; Y92-E95 PolarHBondContact O-N 2.96Å
93A98Very high97Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-60.1-43.6175.500000111.3C61 A89 E95 K96 D97 C100 V101 L104C61-A93 HydrophobicContact CB-CB 4.13Å; A89-A93 PolarHBondContact O-N 2.98Å; A93-E95 PolarHBondContact O-N 3.49Å; A93-E95 VanDerWaalsContact O-N 3.15Å; A93-K96 PolarHBondContact O-N 2.79Å; A93-D97 PolarHBondContact O-N 3.12Å; A93-C100 HydrophobicContact CB-CB 3.7Å; A93-V101 HydrophobicContact CB-CG2 3.77Å; A93-L104 HydrophobicContact CB-CD1 3.72Å
94A97.8Very high97.1Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-57.2-31.2178.500000113.7L90 Y92 K96 V101 P121 W124 A125 N130 L137L90-A94 WeakPolarHBondContact O-CB 3.13Å; L90-A94 PolarHBondContact O-N 2.72Å; Y92-A94 VanDerWaalsContact C-N 3.32Å; Y92-A94 PolarHBondContact O-N 3.02Å; A94-K96 VanDerWaalsContact C-N 3.34Å; A94-V101 HydrophobicContact CB-CG2 4.4Å; A94-P121 HydrophobicContact CB-CB 3.97Å; A94-P121 VanDerWaalsContact CB-O 3.3Å; A94-P121 WeakPolarHBondContact CB-O 3.4Å; A94-W124 HydrophobicContact CB-CB 4.42Å; A94-A125 HydrophobicContact CB-CB 4.14Å; A94-A125 VanDerWaalsContact O-CA 3.29Å; A94-A125 WeakPolarHBondContact O-CA 3.48Å; A94-A125 WeakPolarHBondContact O-CB 3.24Å; A94-N130 PolarHBondContact O-ND2 3.37Å; A94-L137 HydrophobicContact CB-CD1 4.08Å
95E93.9Very high97.3Very high40 Ų4035.9 Ų35.919%0.18717%0.17CC..Hα-helixtrans-75.1-19.8175159166-175.600113.3Y92 A93 K128 N130Y92-E95 PolarHBondContact O-N 2.96Å; A93-E95 PolarHBondContact O-N 3.49Å; A93-E95 VanDerWaalsContact O-N 3.15Å; E95-K128 HydrophobicContact CB-CG 4.01Å; E95-K128 HydrophobicContact CG-CD 3.77Å; E95-K128 HydrophobicContact CG-CG 3.74Å; E95-K128 WeakPolarHBondContact OE1-CE 3.44Å; E95-K128 IonicContact OE1-NZ 3.57Å; E95-K128 PolarHBondContact OE1-NZ 3.48Å; E95-K128 IonicContact OE2-NZ 3.37Å; E95-N130 PolarHBondContact O-ND2 3.4Å
96K92.3Very high97.4Very high109 Ų10936.1 Ų36.147%0.47418%0.176SC..Hα-helixtrans-122.6-55.8-162.6-65.6-61-173.9-177.90115.5A64 A93 A94A64-K96 HydrophobicContact CB-CB 4.32Å; A93-K96 PolarHBondContact O-N 2.79Å; A94-K96 VanDerWaalsContact C-N 3.34Å
97D93.9Very high97.5Very high40 Ų4036.3 Ų36.321%0.21417%0.171CC..  trans-149.9130-160.9179.268.6000111.8A64 A93 S99 C100 V101 C133A64-D97 HydrophobicContact CB-CB 3.67Å; A93-D97 PolarHBondContact O-N 3.12Å; D97-S99 WeakPolarHBondContact OD2-CA 3.36Å; D97-S99 VanDerWaalsContact OD2-CB 3.25Å; D97-S99 WeakPolarHBondContact OD2-CB 3.17Å; D97-S99 PolarHBondContact OD2-N 3.07Å; D97-S99 PolarHBondContact OD2-OG 3.31Å; D97-C100 HydrophobicContact CB-CB 4.36Å; D97-C100 PolarHBondContact OD2-N 3.27Å; D97-C100 PolarHBondContact OD2-SG 2.97Å; D97-V101 WeakPolarHBondContact O-CG2 3.43Å; D97-V101 PolarHBondContact O-N 2.88Å; D97-C133 VanDerWaalsContact C-SG 3.6Å
98E96.8Very high97.5Very high67 Ų6736.4 Ų36.431%0.31319%0.185SC..Hα-helixtrans-66.5-43.8-180177-178-145.100111.4C100 V101 E102 E132 C133E98-C100 VanDerWaalsContact C-N 3.28Å; E98-C100 PolarHBondContact O-N 2.85Å; E98-V101 CarbonylContact O-C 3.49Å; E98-V101 WeakPolarHBondContact O-CA 3.41Å; E98-V101 VanDerWaalsContact O-CB 3.29Å; E98-V101 WeakPolarHBondContact O-CB 3.25Å; E98-V101 PolarHBondContact O-N 2.85Å; E98-E102 HydrophobicContact CG-CG 4.22Å; E98-E102 PolarHBondContact O-N 3.16Å; E98-E132 HydrophobicContact CB-CB 4.13Å; E98-E132 VanDerWaalsContact CD-CB 3.49Å; E98-E132 HydrophobicContact CG-CB 4.13Å; E98-E132 WeakPolarHBondContact OE2-CB 3.4Å; E98-C133 VanDerWaalsContact CA-SG 3.55Å; E98-C133 PolarHBondContact N-SG 3.3Å
99S97.6Very high97.5Very high56 Ų5636.6 Ų36.639%0.39219%0.187SC..Hα-helixtrans-58.2-42.9-177.5-32.90000111.3D97 V101 E102 L103D97-S99 WeakPolarHBondContact OD2-CA 3.36Å; D97-S99 VanDerWaalsContact OD2-CB 3.25Å; D97-S99 WeakPolarHBondContact OD2-CB 3.17Å; D97-S99 PolarHBondContact OD2-N 3.07Å; D97-S99 PolarHBondContact OD2-OG 3.31Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-V101 PolarHBondContact O-N 3.39Å; S99-E102 PolarHBondContact O-N 2.82Å; S99-L103 WeakPolarHBondContact O-CB 3.35Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 3.48Å
100C98.2Very high97.5Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-63.5-37.6173.7-66.10000112.4A93 D97 E98 L104A93-C100 HydrophobicContact CB-CB 3.7Å; D97-C100 HydrophobicContact CB-CB 4.36Å; D97-C100 PolarHBondContact OD2-N 3.27Å; D97-C100 PolarHBondContact OD2-SG 2.97Å; E98-C100 VanDerWaalsContact C-N 3.28Å; E98-C100 PolarHBondContact O-N 2.85Å; C100-L104 VanDerWaalsContact O-CB 3.31Å; C100-L104 WeakPolarHBondContact O-CB 3.38Å; C100-L104 WeakPolarHBondContact O-CD1 3.45Å; C100-L104 WeakPolarHBondContact O-CG 3.38Å; C100-L104 PolarHBondContact O-N 3.01Å
101V98.6Very high97.5Very high0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-64.3-50.3176.7166.10000110.4L90 A93 A94 D97 E98 S99 L104 L105 C133 A136 L137L90-V101 HydrophobicContact CD1-CB 4.33Å; L90-V101 HydrophobicContact CD1-CG1 4.1Å; L90-V101 HydrophobicContact CD1-CG2 4.22Å; A93-V101 HydrophobicContact CB-CG2 3.77Å; A94-V101 HydrophobicContact CB-CG2 4.4Å; D97-V101 WeakPolarHBondContact O-CG2 3.43Å; D97-V101 PolarHBondContact O-N 2.88Å; E98-V101 CarbonylContact O-C 3.49Å; E98-V101 WeakPolarHBondContact O-CA 3.41Å; E98-V101 VanDerWaalsContact O-CB 3.29Å; E98-V101 WeakPolarHBondContact O-CB 3.25Å; E98-V101 PolarHBondContact O-N 2.85Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-V101 PolarHBondContact O-N 3.39Å; V101-L104 PolarHBondContact O-N 2.91Å; V101-L105 HydrophobicContact CG1-CD1 3.56Å; V101-L105 HydrophobicContact CG1-CG 4.44Å; V101-L105 WeakPolarHBondContact O-CB 3.34Å; V101-L105 WeakPolarHBondContact O-CD1 3.23Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.32Å; V101-C133 HydrophobicContact CG2-CB 4.32Å; V101-A136 HydrophobicContact CG1-CB 4.03Å; V101-L137 HydrophobicContact CG1-CD2 4.12Å; V101-L137 HydrophobicContact CG1-CG 4.02Å
102E98.3Very high97.5Very high90 Ų9046 Ų4642%0.42124%0.235SC..Hα-helixtrans-59-51.9179.1-68-174.2148.200111.2E98 S99 L104 L105 E106 A136E98-E102 HydrophobicContact CG-CG 4.22Å; E98-E102 PolarHBondContact O-N 3.16Å; S99-E102 PolarHBondContact O-N 2.82Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.22Å; E102-L105 PolarHBondContact O-N 2.69Å; E102-L105 VanDerWaalsContact O-N 3.08Å; E102-E106 WeakPolarHBondContact O-CG 3.38Å; E102-E106 PolarHBondContact O-N 2.91Å; E102-A136 HydrophobicContact CG-CB 4.24Å
103L98.3Very high97.5Very high27 Ų2745.5 Ų45.514%0.14124%0.235CC..Hα-helixtrans-55.7-47.1177.3-76.9171.3000112.2A66 E70 S99 L105 E106 Y107A66-L103 HydrophobicContact CB-CD1 3.92Å; E70-L103 HydrophobicContact CB-CD1 4.37Å; S99-L103 WeakPolarHBondContact O-CB 3.35Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 3.48Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.24Å; L103-E106 PolarHBondContact O-N 3.22Å; L103-Y107 VanDerWaalsContact O-CD2 3.3Å; L103-Y107 WeakPolarHBondContact O-CD2 3.5Å; L103-Y107 PolarHBondContact O-N 3.08Å
104L98.7Very high97.5Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-61.6-41.3178.3-75.5171.6000111.7L57 V69 L73 V79 A89 L90 A93 C100 V101 E102 Y107 G108 A109L57-L104 HydrophobicContact CD1-CD2 4.37Å; L57-L104 HydrophobicContact CD2-CD2 4.08Å; L57-L104 HydrophobicContact CG-CD2 4.39Å; V69-L104 HydrophobicContact CG1-CD2 4.22Å; V69-L104 HydrophobicContact CG1-CG 4.28Å; L73-L104 HydrophobicContact CD1-CD2 4.23Å; L73-L104 HydrophobicContact CD2-CD2 4.47Å; V79-L104 HydrophobicContact CG2-CD2 3.85Å; A89-L104 HydrophobicContact CB-CD1 4.03Å; A89-L104 HydrophobicContact CB-CD2 4Å; L90-L104 HydrophobicContact CB-CD1 4.17Å; L90-L104 HydrophobicContact CD1-CB 4.06Å; L90-L104 HydrophobicContact CD1-CD1 4.09Å; A93-L104 HydrophobicContact CB-CD1 3.72Å; C100-L104 VanDerWaalsContact O-CB 3.31Å; C100-L104 WeakPolarHBondContact O-CB 3.38Å; C100-L104 WeakPolarHBondContact O-CD1 3.45Å; C100-L104 WeakPolarHBondContact O-CG 3.38Å; C100-L104 PolarHBondContact O-N 3.01Å; V101-L104 PolarHBondContact O-N 2.91Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.22Å; L104-Y107 CarbonylContact O-C 3.57Å; L104-Y107 PolarHBondContact O-N 2.98Å; L104-G108 PolarHBondContact O-N 3.25Å; L104-A109 VanDerWaalsContact C-CB 3.47Å; L104-A109 HydrophobicContact CB-CB 3.87Å; L104-A109 WeakPolarHBondContact O-CB 3.33Å; L104-A109 PolarHBondContact O-N 3.05Å
105L98.6Very high97.5Very high25 Ų2550.4 Ų50.413%0.13126%0.261CS..Hα-helixtrans-66.3-40.4178.4-68.7163.8000111.7L90 V101 E102 L103 Y107 G108 P111 L137L90-L105 HydrophobicContact CD1-CG 4.28Å; L90-L105 HydrophobicContact CD2-CD2 3.91Å; V101-L105 HydrophobicContact CG1-CD1 3.56Å; V101-L105 HydrophobicContact CG1-CG 4.44Å; V101-L105 WeakPolarHBondContact O-CB 3.34Å; V101-L105 WeakPolarHBondContact O-CD1 3.23Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.32Å; E102-L105 PolarHBondContact O-N 2.69Å; E102-L105 VanDerWaalsContact O-N 3.08Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.24Å; L105-Y107 VanDerWaalsContact C-N 3.28Å; L105-Y107 PolarHBondContact O-N 2.69Å; L105-G108 PolarHBondContact O-N 2.94Å; L105-P111 HydrophobicContact CD2-CB 4.01Å; L105-L137 HydrophobicContact CD1-CD2 4.32Å
106E98.3Very high97.6Very high149 Ų14950.6 Ų50.670%0.69627%0.274SS*.Hα-helixtrans-59.1-38.9173.1-72.3-179.2172.300112.2E102 L103 G108E102-E106 WeakPolarHBondContact O-CG 3.38Å; E102-E106 PolarHBondContact O-N 2.91Å; L103-E106 PolarHBondContact O-N 3.22Å; E106-G108 PolarHBondContact O-N 2.92Å
107Y98.4Very high97.8Very high91 Ų9149.7 Ų49.736%0.35727%0.274SS..THydrogen-bonded Turntrans-80.78.8174.7-81.7-99.7000114L73 L103 L104 L105L73-Y107 HydrophobicContact CB-CD1 3.69Å; L73-Y107 HydrophobicContact CB-CD2 4.42Å; L73-Y107 HydrophobicContact CB-CE1 3.66Å; L73-Y107 HydrophobicContact CB-CE2 4.39Å; L73-Y107 HydrophobicContact CB-CG 4.07Å; L73-Y107 HydrophobicContact CD1-CD1 4.27Å; L73-Y107 HydrophobicContact CD1-CD2 3.77Å; L73-Y107 HydrophobicContact CD1-CE2 4.24Å; L73-Y107 HydrophobicContact CD1-CG 3.75Å; L73-Y107 HydrophobicContact CD2-CD1 4.38Å; L73-Y107 HydrophobicContact CD2-CG 4.36Å; L73-Y107 HydrophobicContact CG-CD1 4.33Å; L73-Y107 HydrophobicContact CG-CG 4.28Å; L103-Y107 VanDerWaalsContact O-CD2 3.3Å; L103-Y107 WeakPolarHBondContact O-CD2 3.5Å; L103-Y107 PolarHBondContact O-N 3.08Å; L104-Y107 CarbonylContact O-C 3.57Å; L104-Y107 PolarHBondContact O-N 2.98Å; L105-Y107 VanDerWaalsContact C-N 3.28Å; L105-Y107 PolarHBondContact O-N 2.69Å
108G98.1Very high98Very high43 Ų4352.8 Ų52.844%0.44329%0.286SS..THydrogen-bonded Turntrans86.127.1172.800000114.9N80 L104 L105 E106N80-G108 PolarHBondContact ND2-O 3.11Å; L104-G108 PolarHBondContact O-N 3.25Å; L105-G108 PolarHBondContact O-N 2.94Å; E106-G108 PolarHBondContact O-N 2.92Å
109A98.6Very high98Very high7 Ų749.9 Ų49.96%0.05827%0.272CS..  trans-59.3141.5167.900000111V79 N80 L90 L104 P111V79-A109 HydrophobicContact CG2-CB 3.74Å; N80-A109 WeakPolarHBondContact OD1-CA 3.41Å; L90-A109 HydrophobicContact CB-CB 4.27Å; L90-A109 HydrophobicContact CD2-CB 3.88Å; L90-A109 HydrophobicContact CG-CB 4.47Å; L104-A109 VanDerWaalsContact C-CB 3.47Å; L104-A109 HydrophobicContact CB-CB 3.87Å; L104-A109 WeakPolarHBondContact O-CB 3.33Å; L104-A109 PolarHBondContact O-N 3.05Å; A109-P111 VanDerWaalsContact O-CD 3.24Å; A109-P111 WeakPolarHBondContact O-CD 3.47Å
110Q98.6Very high98.1Very high112 Ų11247.3 Ų47.352%0.52325%0.254SS..  trans-83.4111.5179.2-67.8174.620.300110.4N80 N112 A113N80-Q110 PolarHBondContact OD1-N 3.32Å; Q110-N112 PolarHBondContact O-N 3.33Å; Q110-N112 VanDerWaalsContact O-N 3.16Å; Q110-A113 HydrophobicContact CB-CB 4.19Å; Q110-A113 WeakPolarHBondContact O-CB 3.47Å; Q110-A113 PolarHBondContact O-N 3.08Å; Q110-A113 VanDerWaalsContact O-N 3.1Å
111P98.2Very high98.1Very high21 Ų2147.3 Ų47.314%0.13625%0.254CS..THydrogen-bonded Turntrans-67-19.5-176.827.2-36.3000113.5L105 A109 L137 S140 A142L105-P111 HydrophobicContact CD2-CB 4.01Å; A109-P111 VanDerWaalsContact O-CD 3.24Å; A109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-L137 HydrophobicContact CB-CD2 4.43Å; P111-S140 WeakPolarHBondContact CG-O 3.34Å; P111-A142 HydrophobicContact CB-CB 4.12Å
112N98.4Very high98.1Very high68 Ų6847.3 Ų47.336%0.36425%0.254SS..THydrogen-bonded Turntrans-107.118.4178.4-64.8-61.8000112.8Q110 G141 A142 C143Q110-N112 PolarHBondContact O-N 3.33Å; Q110-N112 VanDerWaalsContact O-N 3.16Å; N112-G141 PolarHBondContact ND2-O 2.88Å; N112-A142 WeakPolarHBondContact OD1-CA 3.22Å; N112-C143 PolarHBondContact OD1-N 3.4Å
113A98.3Very high98.1Very high10 Ų1043 Ų438%0.08323%0.234CC..  trans-55.1143.4172.300000110.2T88 H91 Q110 T120 P121T88-A113 HydrophobicContact CG2-CB 3.88Å; H91-A113 PolarHBondContact NE2-O 3Å; Q110-A113 HydrophobicContact CB-CB 4.19Å; Q110-A113 WeakPolarHBondContact O-CB 3.47Å; Q110-A113 PolarHBondContact O-N 3.08Å; Q110-A113 VanDerWaalsContact O-N 3.1Å; A113-T120 WeakPolarHBondContact O-CA 3.29Å; A113-P121 WeakPolarHBondContact O-CD 3.48Å
114L98.2Very high98.1Very high95 Ų9543.3 Ų43.350%0.49723%0.233SC..  trans-109.7128.9-178.8-64.2178.3000109.3K118 T120L114-K118 HydrophobicContact CD2-CB 4.31Å; L114-K118 WeakPolarHBondContact CD2-O 3.37Å; L114-T120 HydrophobicContact CD2-CG2 3.73Å
115D97.4Very high98.1Very high8 Ų843.3 Ų43.34%0.04323%0.233CC..  trans-79.7-175.3169.286.2-6.6000113.2N86 R87 N117 K118 D119N86-D115 WeakPolarHBondContact O-CA 3.43Å; R87-D115 HydrophobicContact CB-CB 4.48Å; R87-D115 HydrophobicContact CG-CB 3.49Å; R87-D115 VanDerWaalsContact CG-CB 3.49Å; R87-D115 IonicContact CZ-OD2 3.99Å; R87-D115 IonicContact NE-OD2 3.89Å; R87-D115 PolarHBondContact NE-OD2 3.03Å; R87-D115 IonicContact NH2-OD2 3.3Å; R87-D115 PolarHBondContact NH2-OD2 3.43Å; D115-N117 PolarHBondContact O-N 3.37Å; D115-N117 VanDerWaalsContact O-N 3.08Å; D115-N117 WeakPolarHBondContact OD1-CA 3.46Å; D115-N117 WeakPolarHBondContact OD1-CB 3.45Å; D115-N117 PolarHBondContact OD1-N 3.37Å; D115-K118 PolarHBondContact O-N 3.06Å; D115-K118 PolarHBondContact OD1-N 2.94Å; D115-D119 PolarHBondContact N-O 3.34Å; D115-D119 WeakPolarHBondContact OD1-CB 3.42Å; D115-D119 PolarHBondContact OD1-N 3.18Å
116G96.4Very high98.1Very high45 Ų4542.1 Ų42.146%0.46423%0.227SC..THydrogen-bonded Turntrans-57.3-22179.500000114.9Y85Y85-G116 PolarHBondContact O-N 3.48Å
117N95.9Very high98Very high90 Ų9037.7 Ų37.748%0.48121%0.206SC..THydrogen-bonded Turntrans-100.97.4176.3-62.8-36000113D115 D119 Y149D115-N117 PolarHBondContact O-N 3.37Å; D115-N117 VanDerWaalsContact O-N 3.08Å; D115-N117 WeakPolarHBondContact OD1-CA 3.46Å; D115-N117 WeakPolarHBondContact OD1-CB 3.45Å; D115-N117 PolarHBondContact OD1-N 3.37Å; N117-D119 WeakPolarHBondContact CB-OD2 3.34Å; N117-D119 PolarHBondContact O-N 3.42Å; N117-Y149 VanDerWaalsContact O-CB 3.23Å; N117-Y149 WeakPolarHBondContact O-CB 3.45Å; N117-Y149 PolarHBondContact O-N 2.99Å
118K97.4Very high97.9Very high105 Ų10537.3 Ų37.346%0.45721%0.206SC..SBendtrans62.221.2-169-50.9-178.5175.2-177.70113.4L114 D115L114-K118 HydrophobicContact CD2-CB 4.31Å; L114-K118 WeakPolarHBondContact CD2-O 3.37Å; D115-K118 PolarHBondContact O-N 3.06Å; D115-K118 PolarHBondContact OD1-N 2.94Å
119D98.2Very high97.7Very high6 Ų637.2 Ų37.23%0.03220%0.195CC..  trans-73.4139.1171.8-52.6-31.3000107.5H91 D115 N117 H123 D148 W157H91-D119 PolarHBondContact NE2-O 2.98Å; D115-D119 PolarHBondContact N-O 3.34Å; D115-D119 WeakPolarHBondContact OD1-CB 3.42Å; D115-D119 PolarHBondContact OD1-N 3.18Å; N117-D119 WeakPolarHBondContact CB-OD2 3.34Å; N117-D119 PolarHBondContact O-N 3.42Å; D119-H123 HydrophobicContact CB-CB 4.37Å; D119-D148 WeakPolarHBondContact OD1-CB 3.46Å; D119-W157 HydrophobicContact CB-CH2 4.15Å; D119-W157 HydrophobicContact CB-CZ2 4.43Å; D119-W157 VanDerWaalsContact CG-CH2 3.48Å; D119-W157 WeakPolarHBondContact OD1-CZ2 3.4Å; D119-W157 WeakPolarHBondContact OD2-CH2 3.39Å
120T98.6Very high97.6Very high2 Ų238.5 Ų38.51%0.01220%0.201CC..  trans-95.8162.417266.10000110.5A113 L114 L122 H123 W124 A146A113-T120 WeakPolarHBondContact O-CA 3.29Å; L114-T120 HydrophobicContact CD2-CG2 3.73Å; T120-L122 PolarHBondContact O-N 2.94Å; T120-L122 VanDerWaalsContact O-N 3.1Å; T120-L122 PolarHBondContact OG1-N 3.23Å; T120-H123 PolarHBondContact N-ND1 2.87Å; T120-H123 VanDerWaalsContact N-ND1 3.12Å; T120-H123 WeakPolarHBondContact O-CB 3.35Å; T120-H123 PolarHBondContact O-N 3.21Å; T120-H123 PolarHBondContact OG1-ND1 3.13Å; T120-W124 PolarHBondContact O-N 3.1Å; T120-A146 HydrophobicContact CG2-CB 3.84Å
121P98.6Very high97.5Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-51-35.2171-28.435.5000113.2L90 A94 A113 H123 W124 A125 L137L90-P121 HydrophobicContact CB-CG 4.21Å; L90-P121 HydrophobicContact CD2-CB 4.25Å; L90-P121 HydrophobicContact CD2-CG 3.89Å; L90-P121 HydrophobicContact CG-CB 3.93Å; L90-P121 HydrophobicContact CG-CG 3.84Å; A94-P121 HydrophobicContact CB-CB 3.97Å; A94-P121 VanDerWaalsContact CB-O 3.3Å; A94-P121 WeakPolarHBondContact CB-O 3.4Å; A113-P121 WeakPolarHBondContact O-CD 3.48Å; P121-H123 VanDerWaalsContact C-N 3.31Å; P121-H123 PolarHBondContact O-N 3Å; P121-W124 PolarHBondContact O-N 3.41Å; P121-W124 VanDerWaalsContact O-N 3.13Å; P121-A125 PolarHBondContact O-N 2.89Å; P121-L137 HydrophobicContact CB-CD1 4.05Å; P121-L137 HydrophobicContact CB-CD2 3.98Å
122L98.7Very high97.4Very high0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-64-32.2177.3-172.761.9000113.1T120 A126 V134 L137 L138 A142 P154 L170T120-L122 PolarHBondContact O-N 2.94Å; T120-L122 VanDerWaalsContact O-N 3.1Å; T120-L122 PolarHBondContact OG1-N 3.23Å; L122-A126 WeakPolarHBondContact O-CB 3.06Å; L122-A126 PolarHBondContact O-N 2.98Å; L122-V134 HydrophobicContact CD1-CB 4.31Å; L122-V134 HydrophobicContact CD1-CG1 3.96Å; L122-V134 HydrophobicContact CD1-CG2 4.36Å; L122-L137 HydrophobicContact CB-CD1 4.36Å; L122-L137 HydrophobicContact CD1-CB 4.21Å; L122-L137 HydrophobicContact CD1-CD1 4.33Å; L122-L138 HydrophobicContact CD1-CD1 4.35Å; L122-L138 HydrophobicContact CD1-CD2 4.41Å; L122-L138 HydrophobicContact CD1-CG 4.03Å; L122-L138 HydrophobicContact CD2-CD2 3.65Å; L122-L138 HydrophobicContact CD2-CG 4.18Å; L122-A142 HydrophobicContact CB-CB 4.29Å; L122-A142 HydrophobicContact CD2-CB 4Å; L122-P154 HydrophobicContact CB-CG 4.25Å; L122-P154 HydrophobicContact CD2-CB 4.21Å; L122-P154 HydrophobicContact CD2-CG 3.87Å; L122-P154 HydrophobicContact CG-CB 3.89Å; L122-P154 HydrophobicContact CG-CG 3.85Å; L122-L170 HydrophobicContact CD1-CD2 4.26Å; L122-L170 HydrophobicContact CD2-CD2 4.19Å; L122-L170 HydrophobicContact CG-CD2 4.34Å
123H98.6Very high97.4Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-63.5-44.5172.4-69.482.7000110.9D119 T120 P121 A126 F127 D152 P154 W157D119-H123 HydrophobicContact CB-CB 4.37Å; T120-H123 PolarHBondContact N-ND1 2.87Å; T120-H123 VanDerWaalsContact N-ND1 3.12Å; T120-H123 WeakPolarHBondContact O-CB 3.35Å; T120-H123 PolarHBondContact O-N 3.21Å; T120-H123 PolarHBondContact OG1-ND1 3.13Å; P121-H123 VanDerWaalsContact C-N 3.31Å; P121-H123 PolarHBondContact O-N 3Å; H123-A126 PolarHBondContact O-N 3.47Å; H123-F127 WeakPolarHBondContact O-CB 3.35Å; H123-F127 PolarHBondContact O-N 3.47Å; H123-D152 PolarHBondContact NE2-O 2.79Å; H123-P154 WeakPolarHBondContact NE2-CD 3.37Å; H123-W157 HydrophobicContact CB-CD2 3.96Å; H123-W157 HydrophobicContact CB-CE3 3.8Å; H123-W157 HydrophobicContact CB-CG 4.5Å; H123-W157 HydrophobicContact CB-CH2 4.44Å; H123-W157 HydrophobicContact CB-CZ3 4.07Å; H123-W157 AromaticContact CD2-CD1 3.86Å; H123-W157 AromaticContact CD2-NE1 3.79Å; H123-W157 VanDerWaalsContact O-CE3 3.3Å
124W98.2Very high97.4Very high33 Ų3334 Ų3413%0.12518%0.176CC..Hα-helixtrans-64.9-46.4179.6-6994.8000112.3R87 H91 A94 T120 P121 A126 F127 K128 W157R87-W124 VanDerWaalsContact CZ-CZ2 3.45Å; H91-W124 AromaticContact CD2-CD1 3.71Å; H91-W124 AromaticContact CD2-NE1 3.86Å; A94-W124 HydrophobicContact CB-CB 4.42Å; T120-W124 PolarHBondContact O-N 3.1Å; P121-W124 PolarHBondContact O-N 3.41Å; P121-W124 VanDerWaalsContact O-N 3.13Å; W124-A126 PolarHBondContact O-N 3.19Å; W124-F127 PolarHBondContact O-N 2.84Å; W124-K128 WeakPolarHBondContact O-CG 3.43Å; W124-K128 PolarHBondContact O-N 3.31Å; W124-W157 HydrophobicContact CD2-CZ3 4.33Å; W124-W157 HydrophobicContact CZ2-CH2 4.17Å; W124-W157 HydrophobicContact CZ2-CZ3 4.31Å
125A98.3Very high97.4Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-59.6-46.4175.100000111.8A94 P121 F127 K128 D129 N130 C133 V134 L137A94-A125 HydrophobicContact CB-CB 4.14Å; A94-A125 VanDerWaalsContact O-CA 3.29Å; A94-A125 WeakPolarHBondContact O-CA 3.48Å; A94-A125 WeakPolarHBondContact O-CB 3.24Å; P121-A125 PolarHBondContact O-N 2.89Å; A125-F127 VanDerWaalsContact C-N 3.29Å; A125-F127 PolarHBondContact O-N 3.48Å; A125-K128 PolarHBondContact O-N 3.34Å; A125-D129 PolarHBondContact O-N 2.89Å; A125-N130 PolarHBondContact O-N 3.28Å; A125-C133 HydrophobicContact CB-CB 3.9Å; A125-V134 HydrophobicContact CB-CG2 3.71Å; A125-L137 HydrophobicContact CB-CD1 4.02Å
126A98.3Very high97.5Very high0 Ų033.8 Ų33.80%017%0.169CC..Hα-helixtrans-61.7-35179.200000113L122 H123 W124 P154 A158 N163 L170L122-A126 WeakPolarHBondContact O-CB 3.06Å; L122-A126 PolarHBondContact O-N 2.98Å; H123-A126 PolarHBondContact O-N 3.47Å; W124-A126 PolarHBondContact O-N 3.19Å; A126-P154 HydrophobicContact CB-CB 4.05Å; A126-P154 WeakPolarHBondContact CB-O 3.42Å; A126-A158 HydrophobicContact CB-CB 4.16Å; A126-A158 WeakPolarHBondContact O-CA 3.48Å; A126-A158 WeakPolarHBondContact O-CB 3.41Å; A126-N163 PolarHBondContact O-ND2 3.19Å; A126-L170 HydrophobicContact CB-CD1 3.96Å
127F97.3Very high97.6Very high56 Ų5631.6 Ų31.625%0.24615%0.147CC..Hα-helixtrans-76.9-23.6178.5177.3-85.3000114.1H123 W124 A125 W157 K161 N163H123-F127 WeakPolarHBondContact O-CB 3.35Å; H123-F127 PolarHBondContact O-N 3.47Å; W124-F127 PolarHBondContact O-N 2.84Å; A125-F127 VanDerWaalsContact C-N 3.29Å; A125-F127 PolarHBondContact O-N 3.48Å; F127-W157 HydrophobicContact CB-CB 4.36Å; F127-W157 HydrophobicContact CB-CE3 3.65Å; F127-W157 HydrophobicContact CB-CZ3 4.39Å; F127-W157 HydrophobicContact CD2-CE3 4.04Å; F127-W157 HydrophobicContact CG-CE3 4.09Å; F127-K161 HydrophobicContact CD2-CD 4.49Å; F127-K161 HydrophobicContact CD2-CG 3.75Å; F127-K161 HydrophobicContact CE2-CD 4.07Å; F127-K161 HydrophobicContact CE2-CG 3.82Å; F127-K161 HydrophobicContact CG-CG 4.31Å; F127-K161 HydrophobicContact CZ-CD 4.35Å; F127-K161 HydrophobicContact CZ-CG 4.4Å; F127-N163 PolarHBondContact O-ND2 3.1Å
128K96.1Very high97.7Very high82 Ų8227.4 Ų27.436%0.35713%0.125SC..Hα-helixtrans-93.8-5.5-177.7-67.4-77.3169.4161.70114.3E95 W124 A125E95-K128 HydrophobicContact CB-CG 4.01Å; E95-K128 HydrophobicContact CG-CD 3.77Å; E95-K128 HydrophobicContact CG-CG 3.74Å; E95-K128 WeakPolarHBondContact OE1-CE 3.44Å; E95-K128 IonicContact OE1-NZ 3.57Å; E95-K128 PolarHBondContact OE1-NZ 3.48Å; E95-K128 IonicContact OE2-NZ 3.37Å; W124-K128 WeakPolarHBondContact O-CG 3.43Å; W124-K128 PolarHBondContact O-N 3.31Å; A125-K128 PolarHBondContact O-N 3.34Å
129D93.9Very high97.7Very high41 Ų4127.7 Ų27.722%0.21913%0.128CC..THydrogen-bonded Turntrans60.247.5-173.9-150.222.3000113.6A125 P131 N163 S166A125-D129 PolarHBondContact O-N 2.89Å; D129-P131 WeakPolarHBondContact O-CD 3.2Å; D129-N163 HydrophobicContact CB-CB 3.79Å; D129-N163 PolarHBondContact N-ND2 3.2Å; D129-N163 WeakPolarHBondContact OD1-CB 3.25Å; D129-S166 WeakPolarHBondContact CA-OG 3.41Å; D129-S166 WeakPolarHBondContact OD1-CB 3.43Å; D129-S166 PolarHBondContact OD1-N 2.93Å; D129-S166 VanDerWaalsContact OD1-N 3.11Å; D129-S166 PolarHBondContact OD1-OG 2.76Å
130N95.1Very high97.6Very high34 Ų3430.3 Ų30.318%0.18215%0.146CC..  trans-103.379.2173.4-63.1-19.8000109.1A94 E95 A125 E132 C133 V134A94-N130 PolarHBondContact O-ND2 3.37Å; E95-N130 PolarHBondContact O-ND2 3.4Å; A125-N130 PolarHBondContact O-N 3.28Å; N130-E132 PolarHBondContact O-N 3.33Å; N130-C133 HydrophobicContact CB-CB 3.91Å; N130-C133 PolarHBondContact O-N 2.8Å; N130-V134 WeakPolarHBondContact O-CG2 3.39Å; N130-V134 PolarHBondContact O-N 3.02Å
131P96.6Very high97.5Very high20 Ų2032 Ų3213%0.1316%0.164CC..Hα-helixtrans-60.5-27.1-175.624.7-34.1000113.1D129 R135 E165 V169D129-P131 WeakPolarHBondContact O-CD 3.2Å; P131-R135 WeakPolarHBondContact O-CB 2.94Å; P131-R135 PolarHBondContact O-N 3.18Å; P131-E165 HydrophobicContact CB-CB 4Å; P131-E165 HydrophobicContact CG-CB 3.84Å; P131-V169 HydrophobicContact CB-CG2 3.94Å
132E97.7Very high97.5Very high94 Ų9432.3 Ų32.344%0.43917%0.166SC..Hα-helixtrans-63.3-55.6173-66.177.4-159.700111.3E98 N130 V134 R135 A136E98-E132 HydrophobicContact CB-CB 4.13Å; E98-E132 VanDerWaalsContact CD-CB 3.49Å; E98-E132 HydrophobicContact CG-CB 4.13Å; E98-E132 WeakPolarHBondContact OE2-CB 3.4Å; N130-E132 PolarHBondContact O-N 3.33Å; E132-V134 VanDerWaalsContact C-N 3.28Å; E132-V134 PolarHBondContact O-N 3.06Å; E132-R135 WeakPolarHBondContact O-CB 3.21Å; E132-R135 PolarHBondContact O-N 3.07Å; E132-A136 PolarHBondContact O-N 2.91Å
133C98.3Very high97.5Very high2 Ų235 Ų351%0.01419%0.185CC..Hα-helixtrans-58.7-39.8174.1-63.90000112.1D97 E98 V101 A125 N130 R135 L137D97-C133 VanDerWaalsContact C-SG 3.6Å; E98-C133 VanDerWaalsContact CA-SG 3.55Å; E98-C133 PolarHBondContact N-SG 3.3Å; V101-C133 HydrophobicContact CG2-CB 4.32Å; A125-C133 HydrophobicContact CB-CB 3.9Å; N130-C133 HydrophobicContact CB-CB 3.91Å; N130-C133 PolarHBondContact O-N 2.8Å; C133-R135 VanDerWaalsContact C-N 3.32Å; C133-R135 PolarHBondContact O-N 2.94Å; C133-L137 WeakPolarHBondContact O-CB 3.23Å; C133-L137 WeakPolarHBondContact O-CD1 3.43Å; C133-L137 WeakPolarHBondContact O-CG 3.48Å; C133-L137 PolarHBondContact O-N 3.28Å
134V98.6Very high97.4Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-58.2-46.7175.2169.70000110.1L122 A125 N130 E132 L138 V169 L170L122-V134 HydrophobicContact CD1-CB 4.31Å; L122-V134 HydrophobicContact CD1-CG1 3.96Å; L122-V134 HydrophobicContact CD1-CG2 4.36Å; A125-V134 HydrophobicContact CB-CG2 3.71Å; N130-V134 WeakPolarHBondContact O-CG2 3.39Å; N130-V134 PolarHBondContact O-N 3.02Å; E132-V134 VanDerWaalsContact C-N 3.28Å; E132-V134 PolarHBondContact O-N 3.06Å; V134-L138 HydrophobicContact CG1-CD1 3.6Å; V134-L138 WeakPolarHBondContact O-CB 3.34Å; V134-L138 VanDerWaalsContact O-CD1 3.25Å; V134-L138 WeakPolarHBondContact O-CD1 3.33Å; V134-L138 WeakPolarHBondContact O-CG 3.4Å; V134-L138 PolarHBondContact O-N 3.47Å; V134-L138 VanDerWaalsContact O-N 3.07Å; V134-V169 HydrophobicContact CB-CG1 4.44Å; V134-V169 HydrophobicContact CG1-CB 4.02Å; V134-V169 HydrophobicContact CG1-CG1 3.66Å; V134-L170 HydrophobicContact CG1-CD2 4.1Å; V134-L170 HydrophobicContact CG1-CG 3.99Å
135R98.2Very high97.3Very high94 Ų9436.3 Ų36.336%0.35520%0.196SC..Hα-helixtrans-62.7-53.1178.1-177.3-173.5-52.1-73-6.3111.6P131 E132 C133 L137 L138 E139 V169 Y173P131-R135 WeakPolarHBondContact O-CB 2.94Å; P131-R135 PolarHBondContact O-N 3.18Å; E132-R135 WeakPolarHBondContact O-CB 3.21Å; E132-R135 PolarHBondContact O-N 3.07Å; C133-R135 VanDerWaalsContact C-N 3.32Å; C133-R135 PolarHBondContact O-N 2.94Å; R135-L137 VanDerWaalsContact C-N 3.3Å; R135-L137 PolarHBondContact O-N 3.1Å; R135-L138 PolarHBondContact O-N 3.31Å; R135-L138 VanDerWaalsContact O-N 3.09Å; R135-E139 WeakPolarHBondContact CD-OE1 3.42Å; R135-E139 HydrophobicContact CG-CG 4.27Å; R135-E139 WeakPolarHBondContact CG-OE1 3.39Å; R135-E139 WeakPolarHBondContact O-CB 3.3Å; R135-E139 WeakPolarHBondContact O-CG 3.19Å; R135-E139 PolarHBondContact O-N 3.3Å; R135-V169 HydrophobicContact CB-CG1 4.27Å; R135-Y173 HydrophobicContact CG-CE2 4.49Å
136A98.1Very high97.3Very high5 Ų537 Ų374%0.04120%0.201CC..Hα-helixtrans-57.1-42.7-178.500000112.3V101 E102 E132 S140V101-A136 HydrophobicContact CG1-CB 4.03Å; E102-A136 HydrophobicContact CG-CB 4.24Å; E132-A136 PolarHBondContact O-N 2.91Å; A136-S140 WeakPolarHBondContact O-CB 3.22Å; A136-S140 PolarHBondContact O-N 3.18Å; A136-S140 PolarHBondContact O-OG 3.33Å
137L98.6Very high97.2Very high0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-63.1-45.6175.4-73.7168.5000112.1L90 A94 V101 L105 P111 P121 L122 A125 C133 R135 S140 G141 A142L90-L137 HydrophobicContact CD1-CD2 4.14Å; L90-L137 HydrophobicContact CD2-CD2 3.94Å; L90-L137 HydrophobicContact CG-CD2 4.16Å; A94-L137 HydrophobicContact CB-CD1 4.08Å; V101-L137 HydrophobicContact CG1-CD2 4.12Å; V101-L137 HydrophobicContact CG1-CG 4.02Å; L105-L137 HydrophobicContact CD1-CD2 4.32Å; P111-L137 HydrophobicContact CB-CD2 4.43Å; P121-L137 HydrophobicContact CB-CD1 4.05Å; P121-L137 HydrophobicContact CB-CD2 3.98Å; L122-L137 HydrophobicContact CB-CD1 4.36Å; L122-L137 HydrophobicContact CD1-CB 4.21Å; L122-L137 HydrophobicContact CD1-CD1 4.33Å; A125-L137 HydrophobicContact CB-CD1 4.02Å; C133-L137 WeakPolarHBondContact O-CB 3.23Å; C133-L137 WeakPolarHBondContact O-CD1 3.43Å; C133-L137 WeakPolarHBondContact O-CG 3.48Å; C133-L137 PolarHBondContact O-N 3.28Å; R135-L137 VanDerWaalsContact C-N 3.3Å; R135-L137 PolarHBondContact O-N 3.1Å; L137-S140 CarbonylContact O-C 3.58Å; L137-S140 PolarHBondContact O-N 2.83Å; L137-G141 PolarHBondContact O-N 3.14Å; L137-A142 HydrophobicContact CB-CB 3.95Å; L137-A142 WeakPolarHBondContact O-CB 3.15Å; L137-A142 PolarHBondContact O-N 3.22Å
138L98.3Very high97.2Very high2 Ų241.4 Ų41.41%0.0122%0.217CC..Hα-helixtrans-66.8-41-179.6-73.2162.7000112.1L122 V134 R135 S140 G141 P144 V169 L170 Y173 Q266L122-L138 HydrophobicContact CD1-CD1 4.35Å; L122-L138 HydrophobicContact CD1-CD2 4.41Å; L122-L138 HydrophobicContact CD1-CG 4.03Å; L122-L138 HydrophobicContact CD2-CD2 3.65Å; L122-L138 HydrophobicContact CD2-CG 4.18Å; V134-L138 HydrophobicContact CG1-CD1 3.6Å; V134-L138 WeakPolarHBondContact O-CB 3.34Å; V134-L138 VanDerWaalsContact O-CD1 3.25Å; V134-L138 WeakPolarHBondContact O-CD1 3.33Å; V134-L138 WeakPolarHBondContact O-CG 3.4Å; V134-L138 PolarHBondContact O-N 3.47Å; V134-L138 VanDerWaalsContact O-N 3.07Å; R135-L138 PolarHBondContact O-N 3.31Å; R135-L138 VanDerWaalsContact O-N 3.09Å; L138-S140 PolarHBondContact O-N 3.46Å; L138-G141 PolarHBondContact O-N 2.97Å; L138-P144 HydrophobicContact CD2-CB 3.82Å; L138-P144 HydrophobicContact CD2-CG 4.37Å; L138-V169 HydrophobicContact CD1-CG1 4.09Å; L138-L170 HydrophobicContact CD1-CD2 4.19Å; L138-Y173 HydrophobicContact CB-CD1 3.72Å; L138-Y173 HydrophobicContact CB-CD2 4.14Å; L138-Y173 HydrophobicContact CB-CE1 3.89Å; L138-Y173 HydrophobicContact CB-CE2 4.28Å; L138-Y173 HydrophobicContact CB-CG 3.87Å; L138-Y173 HydrophobicContact CD1-CD1 4.35Å; L138-Y173 HydrophobicContact CD1-CD2 3.56Å; L138-Y173 HydrophobicContact CD1-CE2 4.26Å; L138-Y173 HydrophobicContact CD1-CG 3.63Å; L138-Y173 HydrophobicContact CD2-CG 4.32Å; L138-Y173 HydrophobicContact CG-CD1 4.42Å; L138-Y173 HydrophobicContact CG-CD2 4.42Å; L138-Y173 HydrophobicContact CG-CG 4.15Å; L138-Q266 PolarHBondContact O-NE2 2.88Å
139E96.8Very high97.3Very high111 Ų11145.6 Ų45.652%0.51923%0.232SC..Hα-helixtrans-62.2-35.3174.7-72.2176.3-175.400111.3R135 G141 Y173R135-E139 WeakPolarHBondContact CD-OE1 3.42Å; R135-E139 HydrophobicContact CG-CG 4.27Å; R135-E139 WeakPolarHBondContact CG-OE1 3.39Å; R135-E139 WeakPolarHBondContact O-CB 3.3Å; R135-E139 WeakPolarHBondContact O-CG 3.19Å; R135-E139 PolarHBondContact O-N 3.3Å; E139-G141 PolarHBondContact O-N 3.45Å; E139-Y173 HydrophobicContact CG-CE1 4.37Å; E139-Y173 WeakPolarHBondContact CG-OH 3.48Å; E139-Y173 PolarHBondContact OE1-OH 3.37Å
140S97.4Very high97.4Very high61 Ų6145.5 Ų45.543%0.42723%0.231SC..THydrogen-bonded Turntrans-81.68.5174.9-60.40000114.3P111 A136 L137 L138P111-S140 WeakPolarHBondContact CG-O 3.34Å; A136-S140 WeakPolarHBondContact O-CB 3.22Å; A136-S140 PolarHBondContact O-N 3.18Å; A136-S140 PolarHBondContact O-OG 3.33Å; L137-S140 CarbonylContact O-C 3.58Å; L137-S140 PolarHBondContact O-N 2.83Å; L138-S140 PolarHBondContact O-N 3.46Å
141G96.8Very high97.4Very high38 Ų3846.8 Ų46.839%0.39224%0.238SC..THydrogen-bonded Turntrans90.920.4172.600000115.3N112 L137 L138 E139N112-G141 PolarHBondContact ND2-O 2.88Å; L137-G141 PolarHBondContact O-N 3.14Å; L138-G141 PolarHBondContact O-N 2.97Å; E139-G141 PolarHBondContact O-N 3.45Å
142A98.2Very high97.5Very high5 Ų546.2 Ų46.24%0.04123%0.234CC..  trans-59.1140.416600000110.8P111 N112 L122 L137 P144P111-A142 HydrophobicContact CB-CB 4.12Å; N112-A142 WeakPolarHBondContact OD1-CA 3.22Å; L122-A142 HydrophobicContact CB-CB 4.29Å; L122-A142 HydrophobicContact CD2-CB 4Å; L137-A142 HydrophobicContact CB-CB 3.95Å; L137-A142 WeakPolarHBondContact O-CB 3.15Å; L137-A142 PolarHBondContact O-N 3.22Å; A142-P144 VanDerWaalsContact O-CD 3.26Å; A142-P144 WeakPolarHBondContact O-CD 3.39Å
143C97.4Very high97.5Very high57 Ų5741.8 Ų41.839%0.38521%0.213SC..  trans-81112.8179.4-178.20000110.2N112 N145 A146N112-C143 PolarHBondContact OD1-N 3.4Å; C143-N145 PolarHBondContact O-N 3.34Å; C143-N145 VanDerWaalsContact O-N 3.08Å; C143-A146 HydrophobicContact CB-CB 4.22Å; C143-A146 WeakPolarHBondContact O-CB 3.23Å; C143-A146 PolarHBondContact O-N 3.12Å; C143-A146 VanDerWaalsContact O-N 3.12Å
144P96.8Very high97.5Very high24 Ų2441.7 Ų41.716%0.15621%0.213CC..THydrogen-bonded Turntrans-63.7-18.7-179.325.6-35.1000113.2L138 A142 Y173 A175L138-P144 HydrophobicContact CD2-CB 3.82Å; L138-P144 HydrophobicContact CD2-CG 4.37Å; A142-P144 VanDerWaalsContact O-CD 3.26Å; A142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-Y173 WeakPolarHBondContact CG-O 3.27Å; P144-A175 HydrophobicContact CB-CB 4.36Å
145N96.8Very high97.5Very high37 Ų3741.7 Ų41.720%0.19821%0.213CC..THydrogen-bonded Turntrans-113.321-178.1-63.2-58.6000112.4C143 G174 Q176C143-N145 PolarHBondContact O-N 3.34Å; C143-N145 VanDerWaalsContact O-N 3.08Å; N145-G174 PolarHBondContact ND2-O 2.96Å; N145-Q176 WeakPolarHBondContact OD1-CB 3.35Å; N145-Q176 WeakPolarHBondContact OD1-CG 3.36Å; N145-Q176 PolarHBondContact OD1-N 3.15Å
146A97.8Very high97.4Very high14 Ų1437.3 Ų37.312%0.11620%0.196CC..  trans-54.1147.7170.300000110.3T120 C143 T153 P154T120-A146 HydrophobicContact CG2-CB 3.84Å; C143-A146 HydrophobicContact CB-CB 4.22Å; C143-A146 WeakPolarHBondContact O-CB 3.23Å; C143-A146 PolarHBondContact O-N 3.12Å; C143-A146 VanDerWaalsContact O-N 3.12Å; A146-T153 WeakPolarHBondContact O-CA 3.34Å; A146-P154 WeakPolarHBondContact O-CD 3.38Å
147R97.6Very high97.4Very high136 Ų13638.3 Ų38.351%0.51320%0.199SC..  trans-121.9125.2-177.6-74-176.4-179.6140.24.2110.1D152 T153R147-D152 WeakPolarHBondContact CA-O 3.3Å; R147-T153 HydrophobicContact CG-CG2 4.34Å
148D97.3Very high97.4Very high12 Ų1238.3 Ų38.36%0.06420%0.199CC..  trans-72.9-175.8170.97311.3000112.2D119 N150 N151 D152 W157D119-D148 WeakPolarHBondContact OD1-CB 3.46Å; D148-N150 PolarHBondContact O-N 3.1Å; D148-N150 VanDerWaalsContact OD1-C 3.28Å; D148-N150 VanDerWaalsContact OD1-CA 3.28Å; D148-N150 WeakPolarHBondContact OD1-CA 3.34Å; D148-N150 WeakPolarHBondContact OD1-CB 3.4Å; D148-N150 PolarHBondContact OD1-N 3.43Å; D148-N151 PolarHBondContact O-N 2.83Å; D148-N151 PolarHBondContact OD1-N 3.25Å; D148-D152 PolarHBondContact N-O 3.24Å; D148-D152 PolarHBondContact OD1-N 3.03Å; D148-D152 WeakPolarHBondContact OD2-CB 3.46Å; D148-W157 PolarHBondContact OD2-NE1 2.89Å
149Y96.7Very high97.3Very high171 Ų17138.2 Ų38.267%0.67120%0.199SC*.THydrogen-bonded Turntrans-59.1-27.7178-169.6-91.1000113.8N117 N151N117-Y149 VanDerWaalsContact O-CB 3.23Å; N117-Y149 WeakPolarHBondContact O-CB 3.45Å; N117-Y149 PolarHBondContact O-N 2.99Å; Y149-N151 VanDerWaalsContact C-N 3.34Å
150N95.9Very high97.1Very high38 Ų3835 Ų3520%0.20318%0.184CC..THydrogen-bonded Turntrans-92.48177.5-167.549.3000112.5D148 D152 N181 L182D148-N150 PolarHBondContact O-N 3.1Å; D148-N150 VanDerWaalsContact OD1-C 3.28Å; D148-N150 VanDerWaalsContact OD1-CA 3.28Å; D148-N150 WeakPolarHBondContact OD1-CA 3.34Å; D148-N150 WeakPolarHBondContact OD1-CB 3.4Å; D148-N150 PolarHBondContact OD1-N 3.43Å; N150-D152 PolarHBondContact ND2-OD2 3.37Å; N150-D152 PolarHBondContact O-N 3Å; N150-N181 PolarHBondContact ND2-ND2 2.97Å; N150-N181 CarbonylContact O-C 3.42Å; N150-N181 VanDerWaalsContact O-CA 3.27Å; N150-N181 WeakPolarHBondContact O-CA 3.41Å; N150-N181 WeakPolarHBondContact O-CB 3.35Å; N150-L182 WeakPolarHBondContact O-CG 3.4Å; N150-L182 PolarHBondContact O-N 3.43Å
151N96.6Very high96.9Very high62 Ų6236.5 Ų36.533%0.33218%0.183SC..SBendtrans58.817.9-170.3-68.7-20000114D148 Y149 L182D148-N151 PolarHBondContact O-N 2.83Å; D148-N151 PolarHBondContact OD1-N 3.25Å; Y149-N151 VanDerWaalsContact C-N 3.34Å; N151-L182 WeakPolarHBondContact ND2-CD2 3.14Å
152D97.2Very high96.7Very high7 Ų734.9 Ų34.94%0.03717%0.166CC..  trans-72.1148167-75.4-64.1000109H123 R147 D148 N150 S156 N181 R190H123-D152 PolarHBondContact NE2-O 2.79Å; R147-D152 WeakPolarHBondContact CA-O 3.3Å; D148-D152 PolarHBondContact N-O 3.24Å; D148-D152 PolarHBondContact OD1-N 3.03Å; D148-D152 WeakPolarHBondContact OD2-CB 3.46Å; N150-D152 PolarHBondContact ND2-OD2 3.37Å; N150-D152 PolarHBondContact O-N 3Å; D152-S156 PolarHBondContact OD1-OG 2.9Å; D152-N181 HydrophobicContact CB-CB 4.5Å; D152-N181 VanDerWaalsContact OD1-CB 3.27Å; D152-N181 WeakPolarHBondContact OD1-CB 3.41Å; D152-N181 PolarHBondContact OD1-ND2 2.88Å; D152-N181 VanDerWaalsContact OD1-ND2 3.1Å; D152-N181 PolarHBondContact OD2-ND2 3.26Å; D152-R190 IonicContact OD1-CZ 3.81Å; D152-R190 IonicContact OD1-NH1 2.84Å; D152-R190 PolarHBondContact OD1-NH1 3.16Å; D152-R190 IonicContact OD2-CZ 3.89Å; D152-R190 IonicContact OD2-NH1 2.76Å; D152-R190 PolarHBondContact OD2-NH1 3.36Å
153T98.2Very high96.6Very high1 Ų135.6 Ų35.61%0.00617%0.169CC..  trans-105.3167.8176.461.70000110.7A146 R147 L155 S156 W157 V179A146-T153 WeakPolarHBondContact O-CA 3.34Å; R147-T153 HydrophobicContact CG-CG2 4.34Å; T153-L155 PolarHBondContact O-N 3.2Å; T153-S156 WeakPolarHBondContact O-CA 3.29Å; T153-S156 WeakPolarHBondContact O-CB 3.37Å; T153-S156 PolarHBondContact O-N 2.97Å; T153-S156 PolarHBondContact OG1-N 2.84Å; T153-W157 PolarHBondContact O-N 3Å; T153-V179 HydrophobicContact CG2-CB 3.95Å; T153-V179 HydrophobicContact CG2-CG1 3.63Å; T153-V179 HydrophobicContact CG2-CG2 4.24Å
154P98.4Very high96.5Very high0 Ų033 Ų330%015%0.152CC..Hα-helixtrans-54.2-38.6171.9-27.535.7000112.7L122 H123 A126 A146 S156 W157 A158 L170L122-P154 HydrophobicContact CB-CG 4.25Å; L122-P154 HydrophobicContact CD2-CB 4.21Å; L122-P154 HydrophobicContact CD2-CG 3.87Å; L122-P154 HydrophobicContact CG-CB 3.89Å; L122-P154 HydrophobicContact CG-CG 3.85Å; H123-P154 WeakPolarHBondContact NE2-CD 3.37Å; A126-P154 HydrophobicContact CB-CB 4.05Å; A126-P154 WeakPolarHBondContact CB-O 3.42Å; A146-P154 WeakPolarHBondContact O-CD 3.38Å; P154-S156 VanDerWaalsContact C-N 3.32Å; P154-S156 PolarHBondContact O-N 2.74Å; P154-W157 PolarHBondContact O-N 2.9Å; P154-A158 PolarHBondContact O-N 3.37Å; P154-L170 HydrophobicContact CB-CD1 4.22Å; P154-L170 HydrophobicContact CB-CD2 4.02Å
155L98.3Very high96.5Very high0 Ų035.5 Ų35.50%016%0.161CC..Hα-helixtrans-62.9-37.6174.5-175.567.9000112.3T153 A159 V167 L170 L171 A175 V177 P187 L211T153-L155 PolarHBondContact O-N 3.2Å; L155-A159 VanDerWaalsContact O-CB 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.4Å; L155-A159 PolarHBondContact O-N 3.29Å; L155-V167 HydrophobicContact CD1-CB 4.38Å; L155-V167 HydrophobicContact CD1-CG1 4.05Å; L155-V167 HydrophobicContact CD1-CG2 4.12Å; L155-L170 HydrophobicContact CB-CD1 4.37Å; L155-L170 HydrophobicContact CD1-CB 4.15Å; L155-L170 HydrophobicContact CD1-CD1 4.39Å; L155-L171 HydrophobicContact CD1-CD2 4.35Å; L155-L171 HydrophobicContact CD1-CG 4.37Å; L155-L171 HydrophobicContact CD2-CD2 4.16Å; L155-A175 HydrophobicContact CB-CB 4.03Å; L155-A175 HydrophobicContact CD2-CB 3.96Å; L155-A175 HydrophobicContact CG-CB 4.4Å; L155-V177 HydrophobicContact CD2-CB 4.47Å; L155-V177 HydrophobicContact CD2-CG1 3.85Å; L155-P187 HydrophobicContact CD2-CB 4.42Å; L155-P187 HydrophobicContact CD2-CG 4.11Å; L155-P187 HydrophobicContact CG-CB 4.19Å; L155-P187 HydrophobicContact CG-CG 4.13Å; L155-L211 HydrophobicContact CD1-CD2 4.13Å; L155-L211 HydrophobicContact CD2-CD2 4.49Å; L155-L211 HydrophobicContact CG-CD2 4.5Å
156S97.1Very high96.5Very high2 Ų233.7 Ų33.71%0.01415%0.152CC..Hα-helixtrans-64.5-39.4174.5-165.30000111.8D152 T153 P154 M160 R190D152-S156 PolarHBondContact OD1-OG 2.9Å; T153-S156 WeakPolarHBondContact O-CA 3.29Å; T153-S156 WeakPolarHBondContact O-CB 3.37Å; T153-S156 PolarHBondContact O-N 2.97Å; T153-S156 PolarHBondContact OG1-N 2.84Å; P154-S156 VanDerWaalsContact C-N 3.32Å; P154-S156 PolarHBondContact O-N 2.74Å; S156-M160 WeakPolarHBondContact O-CB 3.49Å; S156-M160 PolarHBondContact O-N 3.29Å; S156-R190 WeakPolarHBondContact OG-CD 3.35Å
157W97.8Very high96.5Very high27 Ų2733 Ų3310%0.10215%0.146CC..Hα-helixtrans-67.2-46.1176.5-8146.6000112D119 H123 W124 F127 D148 T153 P154 M160D119-W157 HydrophobicContact CB-CH2 4.15Å; D119-W157 HydrophobicContact CB-CZ2 4.43Å; D119-W157 VanDerWaalsContact CG-CH2 3.48Å; D119-W157 WeakPolarHBondContact OD1-CZ2 3.4Å; D119-W157 WeakPolarHBondContact OD2-CH2 3.39Å; H123-W157 HydrophobicContact CB-CD2 3.96Å; H123-W157 HydrophobicContact CB-CE3 3.8Å; H123-W157 HydrophobicContact CB-CG 4.5Å; H123-W157 HydrophobicContact CB-CH2 4.44Å; H123-W157 HydrophobicContact CB-CZ3 4.07Å; H123-W157 AromaticContact CD2-CD1 3.86Å; H123-W157 AromaticContact CD2-NE1 3.79Å; H123-W157 VanDerWaalsContact O-CE3 3.3Å; W124-W157 HydrophobicContact CD2-CZ3 4.33Å; W124-W157 HydrophobicContact CZ2-CH2 4.17Å; W124-W157 HydrophobicContact CZ2-CZ3 4.31Å; F127-W157 HydrophobicContact CB-CB 4.36Å; F127-W157 HydrophobicContact CB-CE3 3.65Å; F127-W157 HydrophobicContact CB-CZ3 4.39Å; F127-W157 HydrophobicContact CD2-CE3 4.04Å; F127-W157 HydrophobicContact CG-CE3 4.09Å; D148-W157 PolarHBondContact OD2-NE1 2.89Å; T153-W157 PolarHBondContact O-N 3Å; P154-W157 PolarHBondContact O-N 2.9Å; W157-M160 WeakPolarHBondContact O-CB 3.45Å; W157-M160 PolarHBondContact O-N 3.06Å
158A97.8Very high96.5Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-61-46.4174.700000111.9A126 P154 M160 K161 G162 N163 V167 L170A126-A158 HydrophobicContact CB-CB 4.16Å; A126-A158 WeakPolarHBondContact O-CA 3.48Å; A126-A158 WeakPolarHBondContact O-CB 3.41Å; P154-A158 PolarHBondContact O-N 3.37Å; A158-M160 VanDerWaalsContact C-N 3.32Å; A158-M160 PolarHBondContact O-N 3.11Å; A158-K161 CarbonylContact O-C 3.53Å; A158-K161 PolarHBondContact O-N 3.22Å; A158-G162 PolarHBondContact O-N 3.15Å; A158-N163 HydrophobicContact CB-CB 4.15Å; A158-N163 PolarHBondContact O-N 3.5Å; A158-V167 HydrophobicContact CB-CG2 3.74Å; A158-L170 HydrophobicContact CB-CD1 4.18Å
159A95.6Very high96.5Very high0 Ų029.4 Ų29.40%013%0.134CC..Hα-helixtrans-63.9-34.7178.400000112.7L155 K161 G162 P187 L191 L211L155-A159 VanDerWaalsContact O-CB 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.4Å; L155-A159 PolarHBondContact O-N 3.29Å; A159-K161 PolarHBondContact O-N 2.61Å; A159-G162 PolarHBondContact O-N 2.86Å; A159-P187 HydrophobicContact CB-CB 3.88Å; A159-P187 WeakPolarHBondContact CB-O 3.33Å; A159-L191 HydrophobicContact CB-CB 4.33Å; A159-L191 VanDerWaalsContact O-CA 3.31Å; A159-L191 WeakPolarHBondContact O-CA 3.31Å; A159-L191 WeakPolarHBondContact O-CB 3.24Å; A159-L191 WeakPolarHBondContact O-CD1 3.39Å; A159-L211 HydrophobicContact CB-CD1 3.82Å
160M92.9Very high96.6Very high43 Ų4321.2 Ų21.221%0.21210%0.102CC..Hα-helixtrans-60.8-24.4175-169.5-169.5-22.600113.1S156 W157 A158 R190S156-M160 WeakPolarHBondContact O-CB 3.49Å; S156-M160 PolarHBondContact O-N 3.29Å; W157-M160 WeakPolarHBondContact O-CB 3.45Å; W157-M160 PolarHBondContact O-N 3.06Å; A158-M160 VanDerWaalsContact C-N 3.32Å; A158-M160 PolarHBondContact O-N 3.11Å; M160-R190 HydrophobicContact CB-CB 4.3Å; M160-R190 PolarHBondContact SD-NH2 3.12Å
161K93Very high96.6Very high93 Ų9319.6 Ų19.640%0.4049%0.093SC..Hα-helixtrans-107.6-5.4-178.7-68.7-58.8-169.4175.10114.4F127 A158 A159 N163F127-K161 HydrophobicContact CD2-CD 4.49Å; F127-K161 HydrophobicContact CD2-CG 3.75Å; F127-K161 HydrophobicContact CE2-CD 4.07Å; F127-K161 HydrophobicContact CE2-CG 3.82Å; F127-K161 HydrophobicContact CG-CG 4.31Å; F127-K161 HydrophobicContact CZ-CD 4.35Å; F127-K161 HydrophobicContact CZ-CG 4.4Å; A158-K161 CarbonylContact O-C 3.53Å; A158-K161 PolarHBondContact O-N 3.22Å; A159-K161 PolarHBondContact O-N 2.61Å; K161-N163 VanDerWaalsContact C-N 3.26Å; K161-N163 VanDerWaalsContact CB-OD1 3.23Å; K161-N163 WeakPolarHBondContact CB-OD1 3.38Å; K161-N163 PolarHBondContact O-OD1 3.48Å
162G93.3Very high96.6Very high4 Ų417.8 Ų17.84%0.0418%0.084CC..THydrogen-bonded Turntrans73.420-176.500000113.8A158 A159 L164A158-G162 PolarHBondContact O-N 3.15Å; A159-G162 PolarHBondContact O-N 2.86Å; G162-L164 VanDerWaalsContact C-N 3.3Å; G162-L164 PolarHBondContact O-N 2.92Å
163N95.6Very high96.5Very high19 Ų1918 Ų1810%0.1028%0.084CC..  trans-73.380.6-173.5-68.3-1.2000110.8A126 F127 D129 A158 K161 E165 S166 V167A126-N163 PolarHBondContact O-ND2 3.19Å; F127-N163 PolarHBondContact O-ND2 3.1Å; D129-N163 HydrophobicContact CB-CB 3.79Å; D129-N163 PolarHBondContact N-ND2 3.2Å; D129-N163 WeakPolarHBondContact OD1-CB 3.25Å; A158-N163 HydrophobicContact CB-CB 4.15Å; A158-N163 PolarHBondContact O-N 3.5Å; K161-N163 VanDerWaalsContact C-N 3.26Å; K161-N163 VanDerWaalsContact CB-OD1 3.23Å; K161-N163 WeakPolarHBondContact CB-OD1 3.38Å; K161-N163 PolarHBondContact O-OD1 3.48Å; N163-E165 PolarHBondContact O-N 3.48Å; N163-S166 PolarHBondContact O-N 3.08Å; N163-V167 WeakPolarHBondContact O-CG2 3.5Å; N163-V167 PolarHBondContact O-N 2.84Å
164L95.7Very high96.3Very high4 Ų419.4 Ų19.42%0.02110%0.099CC..Hα-helixtrans-56-46.6-170.7174.166.2000112.9G162 V167 K168 Q203 E206 C207 L210G162-L164 VanDerWaalsContact C-N 3.3Å; G162-L164 PolarHBondContact O-N 2.92Å; L164-V167 WeakPolarHBondContact O-CB 3.44Å; L164-V167 PolarHBondContact O-N 3.36Å; L164-K168 HydrophobicContact CG-CD 4.34Å; L164-K168 WeakPolarHBondContact O-CG 3.43Å; L164-K168 PolarHBondContact O-N 3.1Å; L164-Q203 HydrophobicContact CB-CG 3.67Å; L164-Q203 HydrophobicContact CD2-CG 3.9Å; L164-Q203 HydrophobicContact CG-CG 4.47Å; L164-E206 HydrophobicContact CD1-CB 4.38Å; L164-E206 HydrophobicContact CD1-CG 4.08Å; L164-E206 HydrophobicContact CD2-CB 4.17Å; L164-E206 HydrophobicContact CD2-CG 3.99Å; L164-E206 WeakPolarHBondContact CD2-OE1 3.49Å; L164-E206 WeakPolarHBondContact CD2-OE2 3.02Å; L164-C207 HydrophobicContact CB-CB 4.31Å; L164-C207 HydrophobicContact CD1-CB 4.01Å; L164-L210 HydrophobicContact CD1-CD2 3.94Å
165E96.8Very high96.2Very high75 Ų7519.9 Ų19.935%0.3510%0.103SC..Hα-helixtrans-70.2-41.6-174.7-63.2-52.6126.300111P131 N163 V167 K168 V169P131-E165 HydrophobicContact CB-CB 4Å; P131-E165 HydrophobicContact CG-CB 3.84Å; N163-E165 PolarHBondContact O-N 3.48Å; E165-V167 VanDerWaalsContact C-N 3.31Å; E165-V167 PolarHBondContact O-N 3.18Å; E165-K168 WeakPolarHBondContact O-CB 3.36Å; E165-K168 PolarHBondContact O-N 3.12Å; E165-K168 IonicContact OE1-NZ 2.76Å; E165-K168 PolarHBondContact OE1-NZ 3.3Å; E165-K168 IonicContact OE2-NZ 3.93Å; E165-V169 WeakPolarHBondContact O-CG2 3.33Å; E165-V169 PolarHBondContact O-N 3.49Å
166S97.8Very high96Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-60.6-39.1170.9-63.10000112.7D129 N163 V169 L170D129-S166 WeakPolarHBondContact CA-OG 3.41Å; D129-S166 WeakPolarHBondContact OD1-CB 3.43Å; D129-S166 PolarHBondContact OD1-N 2.93Å; D129-S166 VanDerWaalsContact OD1-N 3.11Å; D129-S166 PolarHBondContact OD1-OG 2.76Å; N163-S166 PolarHBondContact O-N 3.08Å; S166-V169 PolarHBondContact O-N 3.49Å; S166-L170 WeakPolarHBondContact O-CB 3.4Å; S166-L170 WeakPolarHBondContact O-CD1 3.28Å; S166-L170 VanDerWaalsContact O-CG 3.23Å; S166-L170 WeakPolarHBondContact O-CG 3.5Å; S166-L170 PolarHBondContact O-N 3.27Å
167V98Very high95.8Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-62.4-45.9174.5167.40000111.1L155 A158 N163 L164 E165 V169 L170 L171 L210 L211L155-V167 HydrophobicContact CD1-CB 4.38Å; L155-V167 HydrophobicContact CD1-CG1 4.05Å; L155-V167 HydrophobicContact CD1-CG2 4.12Å; A158-V167 HydrophobicContact CB-CG2 3.74Å; N163-V167 WeakPolarHBondContact O-CG2 3.5Å; N163-V167 PolarHBondContact O-N 2.84Å; L164-V167 WeakPolarHBondContact O-CB 3.44Å; L164-V167 PolarHBondContact O-N 3.36Å; E165-V167 VanDerWaalsContact C-N 3.31Å; E165-V167 PolarHBondContact O-N 3.18Å; V167-V169 PolarHBondContact O-N 2.9Å; V167-L170 PolarHBondContact O-N 3.48Å; V167-L171 HydrophobicContact CG1-CD1 3.74Å; V167-L171 HydrophobicContact CG1-CG 4.22Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 VanDerWaalsContact O-CG 3.22Å; V167-L171 WeakPolarHBondContact O-CG 3.19Å; V167-L171 PolarHBondContact O-N 2.97Å; V167-L210 HydrophobicContact CG1-CD2 3.87Å; V167-L210 HydrophobicContact CG1-CG 4.49Å; V167-L211 HydrophobicContact CG1-CD2 3.74Å; V167-L211 HydrophobicContact CG1-CG 4.05Å
168K97Very high95.5Very high63 Ų6328.2 Ų28.227%0.27414%0.143SC..Hα-helixtrans-55.3-51.5177-74170.4-178.8165.30110.9L164 E165 L171 D172 E206 L210L164-K168 HydrophobicContact CG-CD 4.34Å; L164-K168 WeakPolarHBondContact O-CG 3.43Å; L164-K168 PolarHBondContact O-N 3.1Å; E165-K168 WeakPolarHBondContact O-CB 3.36Å; E165-K168 PolarHBondContact O-N 3.12Å; E165-K168 IonicContact OE1-NZ 2.76Å; E165-K168 PolarHBondContact OE1-NZ 3.3Å; E165-K168 IonicContact OE2-NZ 3.93Å; K168-L171 PolarHBondContact O-N 3Å; K168-D172 PolarHBondContact O-N 3.13Å; K168-E206 IonicContact NZ-OE1 3.29Å; K168-E206 PolarHBondContact NZ-OE1 3.3Å; K168-L210 HydrophobicContact CB-CD2 4.43Å; K168-L210 HydrophobicContact CG-CD2 3.45Å; K168-L210 VanDerWaalsContact CG-CD2 3.45Å
169V97.8Very high95.2Very high8 Ų828.7 Ų28.75%0.04815%0.146CC..Hα-helixtrans-62.1-49.1-179.7-179.90000111P131 V134 R135 L138 E165 S166 V167 L171 D172 Y173P131-V169 HydrophobicContact CB-CG2 3.94Å; V134-V169 HydrophobicContact CB-CG1 4.44Å; V134-V169 HydrophobicContact CG1-CB 4.02Å; V134-V169 HydrophobicContact CG1-CG1 3.66Å; R135-V169 HydrophobicContact CB-CG1 4.27Å; L138-V169 HydrophobicContact CD1-CG1 4.09Å; E165-V169 WeakPolarHBondContact O-CG2 3.33Å; E165-V169 PolarHBondContact O-N 3.49Å; S166-V169 PolarHBondContact O-N 3.49Å; V167-V169 PolarHBondContact O-N 2.9Å; V169-L171 VanDerWaalsContact C-N 3.28Å; V169-L171 PolarHBondContact O-N 2.97Å; V169-D172 PolarHBondContact O-N 3.23Å; V169-D172 VanDerWaalsContact O-N 3.11Å; V169-Y173 HydrophobicContact CG1-CD2 3.84Å; V169-Y173 HydrophobicContact CG1-CE2 3.99Å; V169-Y173 WeakPolarHBondContact O-CD2 3.27Å; V169-Y173 PolarHBondContact O-N 3.02Å
170L97.9Very high95Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-58.6-39.9179.4-75.4166.5000112.5L122 A126 V134 L138 P154 L155 A158 S166 V167 Y173 G174 A175L122-L170 HydrophobicContact CD1-CD2 4.26Å; L122-L170 HydrophobicContact CD2-CD2 4.19Å; L122-L170 HydrophobicContact CG-CD2 4.34Å; A126-L170 HydrophobicContact CB-CD1 3.96Å; V134-L170 HydrophobicContact CG1-CD2 4.1Å; V134-L170 HydrophobicContact CG1-CG 3.99Å; L138-L170 HydrophobicContact CD1-CD2 4.19Å; P154-L170 HydrophobicContact CB-CD1 4.22Å; P154-L170 HydrophobicContact CB-CD2 4.02Å; L155-L170 HydrophobicContact CB-CD1 4.37Å; L155-L170 HydrophobicContact CD1-CB 4.15Å; L155-L170 HydrophobicContact CD1-CD1 4.39Å; A158-L170 HydrophobicContact CB-CD1 4.18Å; S166-L170 WeakPolarHBondContact O-CB 3.4Å; S166-L170 WeakPolarHBondContact O-CD1 3.28Å; S166-L170 VanDerWaalsContact O-CG 3.23Å; S166-L170 WeakPolarHBondContact O-CG 3.5Å; S166-L170 PolarHBondContact O-N 3.27Å; V167-L170 PolarHBondContact O-N 3.48Å; L170-Y173 CarbonylContact O-C 3.53Å; L170-Y173 PolarHBondContact O-N 3.33Å; L170-G174 PolarHBondContact O-N 3.16Å; L170-A175 HydrophobicContact CB-CB 3.9Å; L170-A175 WeakPolarHBondContact O-CB 3.38Å; L170-A175 PolarHBondContact O-N 3.13Å
171L96.4Very high95Very high3 Ų330.4 Ų30.42%0.01616%0.159CC..Hα-helixtrans-66.4-40176.6-71174.5000112L155 V167 K168 V169 Y173 G174 V177 L210 L211 A214 R260 L268 L287L155-L171 HydrophobicContact CD1-CD2 4.35Å; L155-L171 HydrophobicContact CD1-CG 4.37Å; L155-L171 HydrophobicContact CD2-CD2 4.16Å; V167-L171 HydrophobicContact CG1-CD1 3.74Å; V167-L171 HydrophobicContact CG1-CG 4.22Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 VanDerWaalsContact O-CG 3.22Å; V167-L171 WeakPolarHBondContact O-CG 3.19Å; V167-L171 PolarHBondContact O-N 2.97Å; K168-L171 PolarHBondContact O-N 3Å; V169-L171 VanDerWaalsContact C-N 3.28Å; V169-L171 PolarHBondContact O-N 2.97Å; L171-Y173 PolarHBondContact O-N 3.06Å; L171-G174 PolarHBondContact O-N 3.3Å; L171-G174 VanDerWaalsContact O-N 3.08Å; L171-V177 HydrophobicContact CD2-CG1 3.46Å; L171-V177 VanDerWaalsContact CD2-CG1 3.46Å; L171-L210 HydrophobicContact CD1-CD1 4.32Å; L171-L210 HydrophobicContact CD1-CD2 4.14Å; L171-L210 HydrophobicContact CD1-CG 3.91Å; L171-L211 HydrophobicContact CD1-CD2 4.48Å; L171-A214 HydrophobicContact CD1-CB 3.93Å; L171-A214 HydrophobicContact CD2-CB 3.95Å; L171-R260 PolarHBondContact O-NH2 2.99Å; L171-L268 WeakPolarHBondContact O-CD1 3.3Å; L171-L287 HydrophobicContact CD1-CD1 4.02Å
172D95.8Very high94.9Very high24 Ų2431.3 Ų31.313%0.12817%0.167CC..Hα-helixtrans-63.3-28.9174.6-84.5-5.4000112.3K168 V169 G174 F267 L268 P269 R288K168-D172 PolarHBondContact O-N 3.13Å; V169-D172 PolarHBondContact O-N 3.23Å; V169-D172 VanDerWaalsContact O-N 3.11Å; D172-G174 VanDerWaalsContact C-N 3.33Å; D172-F267 HydrophobicContact CB-CD2 4.3Å; D172-F267 HydrophobicContact CB-CE2 3.86Å; D172-L268 WeakPolarHBondContact O-CB 3.47Å; D172-L268 WeakPolarHBondContact O-CG 3.47Å; D172-L268 PolarHBondContact O-N 3.25Å; D172-P269 HydrophobicContact CB-CG 3.95Å; D172-P269 WeakPolarHBondContact OD2-CG 3.31Å; D172-R288 IonicContact OD2-NH2 3.54Å
173Y96.4Very high94.7Very high12 Ų1237.6 Ų37.65%0.04719%0.194CC..THydrogen-bonded Turntrans-91.417.5173-78.1-86.8000114.2R135 L138 E139 P144 V169 L170 L171 Q266 F267R135-Y173 HydrophobicContact CG-CE2 4.49Å; L138-Y173 HydrophobicContact CB-CD1 3.72Å; L138-Y173 HydrophobicContact CB-CD2 4.14Å; L138-Y173 HydrophobicContact CB-CE1 3.89Å; L138-Y173 HydrophobicContact CB-CE2 4.28Å; L138-Y173 HydrophobicContact CB-CG 3.87Å; L138-Y173 HydrophobicContact CD1-CD1 4.35Å; L138-Y173 HydrophobicContact CD1-CD2 3.56Å; L138-Y173 HydrophobicContact CD1-CE2 4.26Å; L138-Y173 HydrophobicContact CD1-CG 3.63Å; L138-Y173 HydrophobicContact CD2-CG 4.32Å; L138-Y173 HydrophobicContact CG-CD1 4.42Å; L138-Y173 HydrophobicContact CG-CD2 4.42Å; L138-Y173 HydrophobicContact CG-CG 4.15Å; E139-Y173 HydrophobicContact CG-CE1 4.37Å; E139-Y173 WeakPolarHBondContact CG-OH 3.48Å; E139-Y173 PolarHBondContact OE1-OH 3.37Å; P144-Y173 WeakPolarHBondContact CG-O 3.27Å; V169-Y173 HydrophobicContact CG1-CD2 3.84Å; V169-Y173 HydrophobicContact CG1-CE2 3.99Å; V169-Y173 WeakPolarHBondContact O-CD2 3.27Å; V169-Y173 PolarHBondContact O-N 3.02Å; L170-Y173 CarbonylContact O-C 3.53Å; L170-Y173 PolarHBondContact O-N 3.33Å; L171-Y173 PolarHBondContact O-N 3.06Å; Y173-Q266 CarbonylContact C-O 3.44Å; Y173-Q266 VanDerWaalsContact CA-O 3.26Å; Y173-Q266 WeakPolarHBondContact CA-O 3.22Å; Y173-Q266 HydrophobicContact CD1-CG 4.15Å; Y173-Q266 VanDerWaalsContact CD1-O 3.24Å; Y173-Q266 WeakPolarHBondContact CD1-O 3.4Å; Y173-Q266 HydrophobicContact CE1-CG 4.37Å; Y173-F267 HydrophobicContact CD1-CB 4.2Å; Y173-F267 HydrophobicContact CD1-CD2 4.04Å; Y173-F267 AromaticContact CD2-CD2 3.77Å; Y173-F267 HydrophobicContact CD2-CD2 3.77Å; Y173-F267 HydrophobicContact CD2-CE2 4.1Å; Y173-F267 HydrophobicContact CE1-CB 3.85Å; Y173-F267 AromaticContact CE1-CD2 3.72Å; Y173-F267 HydrophobicContact CE1-CD2 3.72Å; Y173-F267 HydrophobicContact CE1-CG 4.08Å; Y173-F267 AromaticContact CE2-CD2 3.45Å; Y173-F267 HydrophobicContact CE2-CD2 3.45Å; Y173-F267 VanDerWaalsContact CE2-CD2 3.45Å; Y173-F267 AromaticContact CE2-CE2 3.62Å; Y173-F267 HydrophobicContact CE2-CE2 3.62Å; Y173-F267 HydrophobicContact CE2-CG 4.47Å; Y173-F267 HydrophobicContact CG-CD2 4.05Å; Y173-F267 AromaticContact CZ-CD2 3.4Å; Y173-F267 AromaticContact CZ-CE2 3.9Å
174G93.6Very high94.3Very high31 Ų3138 Ų3832%0.3220%0.202SC..THydrogen-bonded Turntrans76.925.9170.400000115.3N145 L170 L171 D172 Q176N145-G174 PolarHBondContact ND2-O 2.96Å; L170-G174 PolarHBondContact O-N 3.16Å; L171-G174 PolarHBondContact O-N 3.3Å; L171-G174 VanDerWaalsContact O-N 3.08Å; D172-G174 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 3.38Å
175A95.9Very high93.9Very high10 Ų1039 Ų398%0.08321%0.207CC..  trans-60.8136.1170.800000111.7P144 L155 L170P144-A175 HydrophobicContact CB-CB 4.36Å; L155-A175 HydrophobicContact CB-CB 4.03Å; L155-A175 HydrophobicContact CD2-CB 3.96Å; L155-A175 HydrophobicContact CG-CB 4.4Å; L170-A175 HydrophobicContact CB-CB 3.9Å; L170-A175 WeakPolarHBondContact O-CB 3.38Å; L170-A175 PolarHBondContact O-N 3.13Å
176Q93.4Very high93.7Very high103 Ų10336.8 Ų36.848%0.48120%0.198SC..  trans-85.9120.2-176.6-68.2174.622.100111.1N145 G174 H178 V179N145-Q176 WeakPolarHBondContact OD1-CB 3.35Å; N145-Q176 WeakPolarHBondContact OD1-CG 3.36Å; N145-Q176 PolarHBondContact OD1-N 3.15Å; G174-Q176 PolarHBondContact O-N 3.38Å; Q176-H178 PolarHBondContact O-N 3.04Å; Q176-V179 HydrophobicContact CB-CG2 3.53Å
177V92.6Very high93.5Very high11 Ų1136.8 Ų36.87%0.06720%0.198CC..THydrogen-bonded Turntrans-78.5-14.8-177.1-66.50000114.8L155 L171 P187 L211 A214 A215L155-V177 HydrophobicContact CD2-CB 4.47Å; L155-V177 HydrophobicContact CD2-CG1 3.85Å; L171-V177 HydrophobicContact CD2-CG1 3.46Å; L171-V177 VanDerWaalsContact CD2-CG1 3.46Å; V177-P187 WeakPolarHBondContact O-CD 3.25Å; V177-L211 HydrophobicContact CG1-CD2 4.42Å; V177-A214 HydrophobicContact CG1-CB 3.88Å; V177-A215 HydrophobicContact CG2-CB 4.12Å
178H91.4Very high93.2Very high90 Ų9037 Ų3742%0.41720%0.199SC..THydrogen-bonded Turntrans-103.45.3-175.5-63.4-50.6000113.8Q176 T180 A215 R217Q176-H178 PolarHBondContact O-N 3.04Å; H178-T180 PolarHBondContact O-N 2.98Å; H178-A215 PolarHBondContact NE2-O 3.37Å; H178-R217 PolarHBondContact CE1-O 3.49Å
179V91.8Very high92.8Very high10 Ų1035.1 Ų35.16%0.06119%0.194CC..  trans-69.3129.2179.1-178.20000109.4T153 Q176 P187T153-V179 HydrophobicContact CG2-CB 3.95Å; T153-V179 HydrophobicContact CG2-CG1 3.63Å; T153-V179 HydrophobicContact CG2-CG2 4.24Å; Q176-V179 HydrophobicContact CB-CG2 3.53Å; V179-P187 WeakPolarHBondContact O-CD 3.44Å
180T91.8Very high92.5Very high72 Ų7236.6 Ų36.644%0.44220%0.199SC..  trans-104137.3177.255.60000111.4H178 Q185 T186H178-T180 PolarHBondContact O-N 2.98Å; T180-Q185 WeakPolarHBondContact CA-O 3.27Å; T180-T186 HydrophobicContact CG2-CG2 3.81Å
181N92.3Very high92.1Very high6 Ų636.6 Ų36.63%0.03220%0.199CC..  trans-74.5179.6169.478.44.1000111.8N150 D152 K183 G184 Q185 R190N150-N181 PolarHBondContact ND2-ND2 2.97Å; N150-N181 CarbonylContact O-C 3.42Å; N150-N181 VanDerWaalsContact O-CA 3.27Å; N150-N181 WeakPolarHBondContact O-CA 3.41Å; N150-N181 WeakPolarHBondContact O-CB 3.35Å; D152-N181 HydrophobicContact CB-CB 4.5Å; D152-N181 VanDerWaalsContact OD1-CB 3.27Å; D152-N181 WeakPolarHBondContact OD1-CB 3.41Å; D152-N181 PolarHBondContact OD1-ND2 2.88Å; D152-N181 VanDerWaalsContact OD1-ND2 3.1Å; D152-N181 PolarHBondContact OD2-ND2 3.26Å; N181-K183 PolarHBondContact O-N 3.23Å; N181-K183 WeakPolarHBondContact OD1-CA 3.31Å; N181-K183 WeakPolarHBondContact OD1-CB 3.21Å; N181-K183 PolarHBondContact OD1-N 2.87Å; N181-G184 PolarHBondContact O-N 3.47Å; N181-G184 PolarHBondContact OD1-N 2.95Å; N181-Q185 PolarHBondContact N-O 3.3Å; N181-Q185 PolarHBondContact ND2-OE1 3.19Å; N181-Q185 WeakPolarHBondContact OD1-CB 3.29Å; N181-Q185 PolarHBondContact OD1-N 2.86Å; N181-R190 PolarHBondContact ND2-NH1 3.13Å
182L92.1Very high91.8Very high112 Ų11236.8 Ų36.859%0.58620%0.2SC*.THydrogen-bonded Turntrans-62.3-15.9-179.8-64.2178.3000114.3N150 N151N150-L182 WeakPolarHBondContact O-CG 3.4Å; N150-L182 PolarHBondContact O-N 3.43Å; N151-L182 WeakPolarHBondContact ND2-CD2 3.14Å
183K88.1Confident91.3Very high137 Ų13736.1 Ų36.160%0.59620%0.198SC*.THydrogen-bonded Turntrans-93.46.2174.9-59177.7-176.5171.70112.6N181 Q185N181-K183 PolarHBondContact O-N 3.23Å; N181-K183 WeakPolarHBondContact OD1-CA 3.31Å; N181-K183 WeakPolarHBondContact OD1-CB 3.21Å; N181-K183 PolarHBondContact OD1-N 2.87Å; K183-Q185 VanDerWaalsContact C-N 3.29Å; K183-Q185 HydrophobicContact CB-CG 4.04Å; K183-Q185 PolarHBondContact O-N 3.15Å
184G88.1Confident90.9Very high27 Ų2736.3 Ų36.328%0.27820%0.2SC..SBendtrans7220.4-176.600000113.7N181N181-G184 PolarHBondContact O-N 3.47Å; N181-G184 PolarHBondContact OD1-N 2.95Å
185Q87.9Confident90.6Very high26 Ų2635.1 Ų35.112%0.12119%0.186CC..  trans-93.4126.9-177.6-59.5-179.9-68.800110.6T180 N181 K183 S189 R190T180-Q185 WeakPolarHBondContact CA-O 3.27Å; N181-Q185 PolarHBondContact N-O 3.3Å; N181-Q185 PolarHBondContact ND2-OE1 3.19Å; N181-Q185 WeakPolarHBondContact OD1-CB 3.29Å; N181-Q185 PolarHBondContact OD1-N 2.86Å; K183-Q185 VanDerWaalsContact C-N 3.29Å; K183-Q185 HydrophobicContact CB-CG 4.04Å; K183-Q185 PolarHBondContact O-N 3.15Å; Q185-S189 WeakPolarHBondContact CA-OG 3.48Å; Q185-S189 VanDerWaalsContact CB-OG 3.23Å; Q185-S189 WeakPolarHBondContact CB-OG 3.44Å; Q185-R190 HydrophobicContact CB-CG 4.27Å
186T91.9Very high90Very high27 Ų2735.3 Ų35.317%0.16619%0.187CC..  trans-82.9162.8167.962.60000111.2T180 I188 S189 R190T180-T186 HydrophobicContact CG2-CG2 3.81Å; T186-I188 VanDerWaalsContact C-N 3.26Å; T186-I188 PolarHBondContact O-N 2.95Å; T186-S189 PolarHBondContact N-OG 3.46Å; T186-S189 PolarHBondContact O-N 3.24Å; T186-S189 PolarHBondContact O-OG 3.45Å; T186-S189 PolarHBondContact OG1-N 3.31Å; T186-R190 WeakPolarHBondContact O-CG 3.3Å; T186-R190 PolarHBondContact O-N 3.25Å; T186-R190 VanDerWaalsContact O-N 3.08Å
187P93.6Very high89.5Confident0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-47.8-45.9170.8-29.933.8000113.5L155 A159 V177 V179 S189 R190 L191L155-P187 HydrophobicContact CD2-CB 4.42Å; L155-P187 HydrophobicContact CD2-CG 4.11Å; L155-P187 HydrophobicContact CG-CB 4.19Å; L155-P187 HydrophobicContact CG-CG 4.13Å; A159-P187 HydrophobicContact CB-CB 3.88Å; A159-P187 WeakPolarHBondContact CB-O 3.33Å; V177-P187 WeakPolarHBondContact O-CD 3.25Å; V179-P187 WeakPolarHBondContact O-CD 3.44Å; P187-S189 PolarHBondContact O-N 3.3Å; P187-R190 WeakPolarHBondContact O-CB 3.43Å; P187-R190 PolarHBondContact O-N 2.97Å; P187-R190 VanDerWaalsContact O-N 3.13Å; P187-L191 PolarHBondContact O-N 3.45Å; P187-L191 VanDerWaalsContact O-N 3.1Å
188I91.8Very high88.3Confident4 Ų440.3 Ų40.32%0.02122%0.222CC..Hα-helixtrans-57.4-48.1175.6-68171.7000110.8T186 R190 L191 V192 L208 L211 A215 F218T186-I188 VanDerWaalsContact C-N 3.26Å; T186-I188 PolarHBondContact O-N 2.95Å; I188-R190 PolarHBondContact O-N 3.31Å; I188-L191 PolarHBondContact O-N 3.46Å; I188-V192 HydrophobicContact CG2-CG2 4.16Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.48Å; I188-V192 PolarHBondContact O-N 3.18Å; I188-L208 HydrophobicContact CG2-CD1 4.21Å; I188-L211 HydrophobicContact CD1-CB 4.3Å; I188-L211 HydrophobicContact CG1-CB 3.71Å; I188-L211 HydrophobicContact CG1-CD1 4.43Å; I188-A215 HydrophobicContact CD1-CB 3.6Å; I188-F218 HydrophobicContact CD1-CB 3.73Å; I188-F218 HydrophobicContact CD1-CD1 4.41Å; I188-F218 HydrophobicContact CD1-CG 4Å; I188-F218 HydrophobicContact CG2-CD2 3.99Å; I188-F218 HydrophobicContact CG2-CE2 4.39Å; I188-F218 HydrophobicContact CG2-CG 4.48Å
189S88.9Confident87Confident24 Ų2441 Ų4117%0.16823%0.228CC..Hα-helixtrans-63.8-27.5-178.976.40000113.1Q185 T186 P187 A193Q185-S189 WeakPolarHBondContact CA-OG 3.48Å; Q185-S189 VanDerWaalsContact CB-OG 3.23Å; Q185-S189 WeakPolarHBondContact CB-OG 3.44Å; T186-S189 PolarHBondContact N-OG 3.46Å; T186-S189 PolarHBondContact O-N 3.24Å; T186-S189 PolarHBondContact O-OG 3.45Å; T186-S189 PolarHBondContact OG1-N 3.31Å; P187-S189 PolarHBondContact O-N 3.3Å; S189-A193 WeakPolarHBondContact O-CB 3.43Å; S189-A193 PolarHBondContact O-N 2.88Å; S189-A193 VanDerWaalsContact O-N 3.13Å
190R90Very high85.7Confident39 Ų3942.6 Ų42.615%0.14725%0.247CC..Hα-helixtrans-72.8-43.2175.2-62.5-157.573119.51.1112.1D152 S156 M160 N181 Q185 T186 P187 I188 A193 L194D152-R190 IonicContact OD1-CZ 3.81Å; D152-R190 IonicContact OD1-NH1 2.84Å; D152-R190 PolarHBondContact OD1-NH1 3.16Å; D152-R190 IonicContact OD2-CZ 3.89Å; D152-R190 IonicContact OD2-NH1 2.76Å; D152-R190 PolarHBondContact OD2-NH1 3.36Å; S156-R190 WeakPolarHBondContact OG-CD 3.35Å; M160-R190 HydrophobicContact CB-CB 4.3Å; M160-R190 PolarHBondContact SD-NH2 3.12Å; N181-R190 PolarHBondContact ND2-NH1 3.13Å; Q185-R190 HydrophobicContact CB-CG 4.27Å; T186-R190 WeakPolarHBondContact O-CG 3.3Å; T186-R190 PolarHBondContact O-N 3.25Å; T186-R190 VanDerWaalsContact O-N 3.08Å; P187-R190 WeakPolarHBondContact O-CB 3.43Å; P187-R190 PolarHBondContact O-N 2.97Å; P187-R190 VanDerWaalsContact O-N 3.13Å; I188-R190 PolarHBondContact O-N 3.31Å; R190-A193 PolarHBondContact O-N 3.06Å; R190-L194 PolarHBondContact O-N 3.37Å; R190-L194 VanDerWaalsContact O-N 3.16Å
191L91.1Very high85.1Confident0 Ų042.5 Ų42.50%025%0.246CC..Hα-helixtrans-64.1-43.2174.5178.857.4000111.4A159 P187 I188 A193 L194 L195 E204 C207 L208 L211A159-L191 HydrophobicContact CB-CB 4.33Å; A159-L191 VanDerWaalsContact O-CA 3.31Å; A159-L191 WeakPolarHBondContact O-CA 3.31Å; A159-L191 WeakPolarHBondContact O-CB 3.24Å; A159-L191 WeakPolarHBondContact O-CD1 3.39Å; P187-L191 PolarHBondContact O-N 3.45Å; P187-L191 VanDerWaalsContact O-N 3.1Å; I188-L191 PolarHBondContact O-N 3.46Å; L191-A193 PolarHBondContact O-N 3.39Å; L191-L194 HydrophobicContact CD1-CD2 4.09Å; L191-L194 WeakPolarHBondContact O-CA 3.45Å; L191-L194 VanDerWaalsContact O-CB 3.24Å; L191-L194 WeakPolarHBondContact O-CB 3.29Å; L191-L194 PolarHBondContact O-N 3.4Å; L191-L195 HydrophobicContact CD1-CG 4.49Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 PolarHBondContact O-N 2.92Å; L191-E204 HydrophobicContact CD1-CB 4.38Å; L191-C207 HydrophobicContact CD2-CB 3.99Å; L191-L208 VanDerWaalsContact CD2-CA 3.44Å; L191-L208 HydrophobicContact CD2-CB 3.76Å; L191-L208 HydrophobicContact CD2-CD1 4.38Å; L191-L208 VanDerWaalsContact CD2-N 3.32Å; L191-L208 HydrophobicContact CG-CB 4.48Å; L191-L211 HydrophobicContact CD2-CD1 3.87Å
192V89Confident84.7Confident8 Ų850.5 Ų50.55%0.04828%0.283CS..Hα-helixtrans-60.7-36.4176.1171.60000111.6I188 L194 L195 A196 L208 L231 L237 L241I188-V192 HydrophobicContact CG2-CG2 4.16Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.48Å; I188-V192 PolarHBondContact O-N 3.18Å; V192-L194 VanDerWaalsContact C-N 3.28Å; V192-L194 PolarHBondContact O-N 3.04Å; V192-L195 PolarHBondContact O-N 2.9Å; V192-A196 VanDerWaalsContact O-CB 3.28Å; V192-A196 WeakPolarHBondContact O-CB 3.23Å; V192-A196 PolarHBondContact O-N 2.95Å; V192-L208 HydrophobicContact CG2-CD1 3.87Å; V192-L231 HydrophobicContact CG1-CD1 3.49Å; V192-L231 VanDerWaalsContact CG1-CD1 3.49Å; V192-L231 HydrophobicContact CG1-CD2 3.67Å; V192-L231 HydrophobicContact CG1-CG 3.64Å; V192-L237 HydrophobicContact CG1-CD2 4.42Å; V192-L241 HydrophobicContact CB-CD1 4.42Å; V192-L241 HydrophobicContact CG1-CD1 3.58Å; V192-L241 HydrophobicContact CG2-CD1 3.87Å; V192-L241 HydrophobicContact CG2-CD2 4.11Å
193A86.4Confident84.5Confident9 Ų949 Ų497%0.07427%0.273CS..Hα-helixtrans-68.8-24.1173.100000113.5S189 R190 L191 R197S189-A193 WeakPolarHBondContact O-CB 3.43Å; S189-A193 PolarHBondContact O-N 2.88Å; S189-A193 VanDerWaalsContact O-N 3.13Å; R190-A193 PolarHBondContact O-N 3.06Å; L191-A193 PolarHBondContact O-N 3.39Å; A193-R197 WeakPolarHBondContact O-CG 3.35Å; A193-R197 PolarHBondContact O-NH1 2.91Å
194L87.3Confident84.5Confident16 Ų1643.4 Ų43.48%0.08425%0.249CC..Hα-helixtrans-72.2-53.6170178.370.2000110.4R190 L191 V192 A196 R197 L199 E204R190-L194 PolarHBondContact O-N 3.37Å; R190-L194 VanDerWaalsContact O-N 3.16Å; L191-L194 HydrophobicContact CD1-CD2 4.09Å; L191-L194 WeakPolarHBondContact O-CA 3.45Å; L191-L194 VanDerWaalsContact O-CB 3.24Å; L191-L194 WeakPolarHBondContact O-CB 3.29Å; L191-L194 PolarHBondContact O-N 3.4Å; V192-L194 VanDerWaalsContact C-N 3.28Å; V192-L194 PolarHBondContact O-N 3.04Å; L194-A196 VanDerWaalsContact C-N 3.31Å; L194-A196 PolarHBondContact O-N 3.35Å; L194-R197 WeakPolarHBondContact O-CB 3.28Å; L194-R197 PolarHBondContact O-N 2.85Å; L194-L199 HydrophobicContact CD1-CB 4.47Å; L194-L199 HydrophobicContact CD1-CD1 4Å; L194-E204 HydrophobicContact CD2-CG 4Å
195L86.6Confident84.5Confident6 Ų644.2 Ų44.23%0.03125%0.246CC..Iπ-helixtrans-55.4-44.7179.3-69.6173.3000112.1L191 V192 R197 G198 E204 E205 L208 L237L191-L195 HydrophobicContact CD1-CG 4.49Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 PolarHBondContact O-N 2.92Å; V192-L195 PolarHBondContact O-N 2.9Å; L195-R197 PolarHBondContact O-N 2.92Å; L195-G198 PolarHBondContact O-N 3.08Å; L195-E204 HydrophobicContact CD2-CB 3.61Å; L195-E205 HydrophobicContact CD2-CG 4.43Å; L195-L208 HydrophobicContact CD1-CB 4.13Å; L195-L208 HydrophobicContact CD1-CD2 3.63Å; L195-L208 HydrophobicContact CD1-CG 4.35Å; L195-L237 HydrophobicContact CB-CD2 3.75Å; L195-L237 HydrophobicContact CD1-CD1 4.28Å
196A83.7Confident84.7Confident14 Ų1447 Ų4712%0.11626%0.259CS..Iπ-helixtrans-65.2-10.1179.200000114.6V192 L194 G198 E230 L237V192-A196 VanDerWaalsContact O-CB 3.28Å; V192-A196 WeakPolarHBondContact O-CB 3.23Å; V192-A196 PolarHBondContact O-N 2.95Å; L194-A196 VanDerWaalsContact C-N 3.31Å; L194-A196 PolarHBondContact O-N 3.35Å; A196-G198 VanDerWaalsContact C-N 3.27Å; A196-E230 HydrophobicContact CB-CB 3.74Å; A196-L237 HydrophobicContact CB-CD2 4.07Å
197R82.2Confident84.8Confident152 Ų15245.8 Ų45.857%0.57425%0.251SS*.Iπ-helixtrans-85.31.3171.3-66.5174.3-175.8116.41.8112.8A193 L194 L195 L199A193-R197 WeakPolarHBondContact O-CG 3.35Å; A193-R197 PolarHBondContact O-NH1 2.91Å; L194-R197 WeakPolarHBondContact O-CB 3.28Å; L194-R197 PolarHBondContact O-N 2.85Å; L195-R197 PolarHBondContact O-N 2.92Å; R197-L199 HydrophobicContact CB-CD1 4.48Å
198G68.8Low84.7Confident68 Ų6845.9 Ų45.970%0.70125%0.252SS*.Iπ-helixtrans77.523.6179.600000113.6L195 A196L195-G198 PolarHBondContact O-N 3.08Å; A196-G198 VanDerWaalsContact C-N 3.27Å
199L63Low84.6Confident104 Ų10449.7 Ų49.755%0.54527%0.27SS..Iπ-helixtrans-97.23.3177.7-66.2172.2000113.1L194 R197 T201 E204L194-L199 HydrophobicContact CD1-CB 4.47Å; L194-L199 HydrophobicContact CD1-CD1 4Å; R197-L199 HydrophobicContact CB-CD1 4.48Å; L199-T201 PolarHBondContact O-N 2.92Å; L199-E204 VanDerWaalsContact C-OE2 3.31Å; L199-E204 VanDerWaalsContact O-OE2 3.14Å
200G64.1Low84.8Confident44 Ų4449.1 Ų49.145%0.45426%0.264SS..  trans-54.197.9-174.500000114E204G200-E204 VanDerWaalsContact CA-OE2 3.23Å; G200-E204 WeakPolarHBondContact CA-OE2 3.42Å; G200-E204 PolarHBondContact N-OE2 3.24Å
201T80.4Confident85Confident70 Ų7047.2 Ų47.243%0.42926%0.257SS..  trans-80.9163.1163.262.20000109.8L199 Q203 E204 E205L199-T201 PolarHBondContact O-N 2.92Å; T201-Q203 PolarHBondContact O-N 3.49Å; T201-E204 PolarHBondContact O-N 2.81Å; T201-E204 VanDerWaalsContact O-N 3.14Å; T201-E204 WeakPolarHBondContact OG1-CG 3.39Å; T201-E204 PolarHBondContact OG1-N 3.32Å; T201-E205 PolarHBondContact O-N 3.16Å
202E84.5Confident84.9Confident173 Ų17347.8 Ų47.881%0.80826%0.261SS*.Hα-helixtrans-55.5-35.6172.9-174175-172.100111.8E205 E206E202-E205 PolarHBondContact O-N 3.45Å; E202-E206 PolarHBondContact O-N 3.16Å
203Q86Confident84.9Confident81 Ų8151 Ų5138%0.37927%0.272SS..Hα-helixtrans-66.5-38.4177.9-170.3177.3-3.200112.9L164 T201 E205 E206 C207L164-Q203 HydrophobicContact CB-CG 3.67Å; L164-Q203 HydrophobicContact CD2-CG 3.9Å; L164-Q203 HydrophobicContact CG-CG 4.47Å; T201-Q203 PolarHBondContact O-N 3.49Å; Q203-E205 VanDerWaalsContact C-N 3.34Å; Q203-E206 PolarHBondContact O-N 2.98Å; Q203-C207 VanDerWaalsContact O-CB 3.29Å; Q203-C207 WeakPolarHBondContact O-CB 3.23Å; Q203-C207 PolarHBondContact O-N 3.15Å
204E89Confident85.1Confident20 Ų2051 Ų519%0.09327%0.272CS..Hα-helixtrans-68-35.6176.2-72171.5-164.200111.9L191 L194 L195 L199 G200 T201 C207 L208L191-E204 HydrophobicContact CD1-CB 4.38Å; L194-E204 HydrophobicContact CD2-CG 4Å; L195-E204 HydrophobicContact CD2-CB 3.61Å; L199-E204 VanDerWaalsContact C-OE2 3.31Å; L199-E204 VanDerWaalsContact O-OE2 3.14Å; G200-E204 VanDerWaalsContact CA-OE2 3.23Å; G200-E204 WeakPolarHBondContact CA-OE2 3.42Å; G200-E204 PolarHBondContact N-OE2 3.24Å; T201-E204 PolarHBondContact O-N 2.81Å; T201-E204 VanDerWaalsContact O-N 3.14Å; T201-E204 WeakPolarHBondContact OG1-CG 3.39Å; T201-E204 PolarHBondContact OG1-N 3.32Å; E204-C207 WeakPolarHBondContact O-CB 3.36Å; E204-C207 PolarHBondContact O-N 3.08Å; E204-L208 PolarHBondContact O-N 2.86Å
205E87.9Confident85.2Confident44 Ų4450.4 Ų50.421%0.20627%0.27CS..Hα-helixtrans-68.1-44.9174.3-71.3-78.3-178.800111.3L195 T201 E202 Q203 C207 L208 E209 R240L195-E205 HydrophobicContact CD2-CG 4.43Å; T201-E205 PolarHBondContact O-N 3.16Å; E202-E205 PolarHBondContact O-N 3.45Å; Q203-E205 VanDerWaalsContact C-N 3.34Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 3.19Å; E205-L208 WeakPolarHBondContact O-CB 3.23Å; E205-L208 PolarHBondContact O-N 2.81Å; E205-L208 VanDerWaalsContact O-N 3.12Å; E205-E209 PolarHBondContact O-N 3.12Å; E205-R240 IonicContact OE1-CZ 3.86Å; E205-R240 IonicContact OE1-NH1 2.84Å; E205-R240 PolarHBondContact OE1-NH1 3.49Å; E205-R240 IonicContact OE1-NH2 4Å; E205-R240 IonicContact OE2-CZ 3.26Å; E205-R240 VanDerWaalsContact OE2-CZ 3.26Å; E205-R240 IonicContact OE2-NH1 2.97Å; E205-R240 PolarHBondContact OE2-NH1 3.32Å; E205-R240 IonicContact OE2-NH2 2.72Å; E205-R240 PolarHBondContact OE2-NH2 3.47Å
206E91.9Very high84.9Confident85 Ų8551 Ų5140%0.39728%0.277SS..Hα-helixtrans-59.5-40.5172.9-170.5-175.3156.300111.1L164 K168 E202 Q203 L208 E209 L210L164-E206 HydrophobicContact CD1-CB 4.38Å; L164-E206 HydrophobicContact CD1-CG 4.08Å; L164-E206 HydrophobicContact CD2-CB 4.17Å; L164-E206 HydrophobicContact CD2-CG 3.99Å; L164-E206 WeakPolarHBondContact CD2-OE1 3.49Å; L164-E206 WeakPolarHBondContact CD2-OE2 3.02Å; K168-E206 IonicContact NZ-OE1 3.29Å; K168-E206 PolarHBondContact NZ-OE1 3.3Å; E202-E206 PolarHBondContact O-N 3.16Å; Q203-E206 PolarHBondContact O-N 2.98Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 2.96Å; E206-E209 PolarHBondContact O-N 3.23Å; E206-L210 WeakPolarHBondContact O-CB 3.38Å; E206-L210 PolarHBondContact O-N 3.31Å
207C93.6Very high84.8Confident0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-62.6-39176.3-170.90000111.8L164 L191 Q203 E204 E205 L210 L211L164-C207 HydrophobicContact CB-CB 4.31Å; L164-C207 HydrophobicContact CD1-CB 4.01Å; L191-C207 HydrophobicContact CD2-CB 3.99Å; Q203-C207 VanDerWaalsContact O-CB 3.29Å; Q203-C207 WeakPolarHBondContact O-CB 3.23Å; Q203-C207 PolarHBondContact O-N 3.15Å; E204-C207 WeakPolarHBondContact O-CB 3.36Å; E204-C207 PolarHBondContact O-N 3.08Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 3.19Å; C207-L210 PolarHBondContact O-N 3.14Å; C207-L211 WeakPolarHBondContact O-CB 3.48Å; C207-L211 WeakPolarHBondContact O-CG 3.44Å; C207-L211 PolarHBondContact O-N 3.23Å
208L91.6Very high84.7Confident3 Ų351.7 Ų51.72%0.01628%0.278CS..Hα-helixtrans-64.3-48.1175.7175.365.7000110.6I188 L191 V192 L195 E204 E205 E206 L210 L211 C212 L241I188-L208 HydrophobicContact CG2-CD1 4.21Å; L191-L208 VanDerWaalsContact CD2-CA 3.44Å; L191-L208 HydrophobicContact CD2-CB 3.76Å; L191-L208 HydrophobicContact CD2-CD1 4.38Å; L191-L208 VanDerWaalsContact CD2-N 3.32Å; L191-L208 HydrophobicContact CG-CB 4.48Å; V192-L208 HydrophobicContact CG2-CD1 3.87Å; L195-L208 HydrophobicContact CD1-CB 4.13Å; L195-L208 HydrophobicContact CD1-CD2 3.63Å; L195-L208 HydrophobicContact CD1-CG 4.35Å; E204-L208 PolarHBondContact O-N 2.86Å; E205-L208 WeakPolarHBondContact O-CB 3.23Å; E205-L208 PolarHBondContact O-N 2.81Å; E205-L208 VanDerWaalsContact O-N 3.12Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 2.96Å; L208-L210 VanDerWaalsContact C-N 3.32Å; L208-L210 PolarHBondContact O-N 3.01Å; L208-L211 PolarHBondContact O-N 3.19Å; L208-C212 WeakPolarHBondContact O-CB 3.34Å; L208-C212 PolarHBondContact O-N 3.03Å; L208-C212 PolarHBondContact O-SG 3.34Å; L208-L241 HydrophobicContact CD1-CD2 4.25Å; L208-L241 HydrophobicContact CD2-CD2 3.92Å
209E90.4Very high85.1Confident84 Ų8454.2 Ų54.239%0.39327%0.271SS..Hα-helixtrans-59.5-43.9177.7-69.7-173.5179.300112.1E205 E206 C212 R213E205-E209 PolarHBondContact O-N 3.12Å; E206-E209 PolarHBondContact O-N 3.23Å; E209-C212 PolarHBondContact O-N 3.37Å; E209-R213 WeakPolarHBondContact O-CB 3.28Å; E209-R213 VanDerWaalsContact O-CG 3.29Å; E209-R213 WeakPolarHBondContact O-CG 3.46Å; E209-R213 PolarHBondContact O-N 2.63Å; E209-R213 IonicContact OE2-NH2 3.14Å; E209-R213 PolarHBondContact OE2-NH2 3.44Å; E209-R213 VanDerWaalsContact OE2-NH2 3.14Å
210L93.9Very high85.7Confident11 Ų1150.5 Ų50.56%0.05825%0.252CS..Hα-helixtrans-60.7-47.9177.8177.762.4000111.5L164 V167 K168 L171 E206 C207 L208 C212 R213 A214 L287L164-L210 HydrophobicContact CD1-CD2 3.94Å; V167-L210 HydrophobicContact CG1-CD2 3.87Å; V167-L210 HydrophobicContact CG1-CG 4.49Å; K168-L210 HydrophobicContact CB-CD2 4.43Å; K168-L210 HydrophobicContact CG-CD2 3.45Å; K168-L210 VanDerWaalsContact CG-CD2 3.45Å; L171-L210 HydrophobicContact CD1-CD1 4.32Å; L171-L210 HydrophobicContact CD1-CD2 4.14Å; L171-L210 HydrophobicContact CD1-CG 3.91Å; E206-L210 WeakPolarHBondContact O-CB 3.38Å; E206-L210 PolarHBondContact O-N 3.31Å; C207-L210 PolarHBondContact O-N 3.14Å; L208-L210 VanDerWaalsContact C-N 3.32Å; L208-L210 PolarHBondContact O-N 3.01Å; L210-C212 PolarHBondContact O-N 3.5Å; L210-R213 WeakPolarHBondContact O-CB 3.48Å; L210-R213 PolarHBondContact O-N 3.45Å; L210-A214 WeakPolarHBondContact O-CB 3.37Å; L210-A214 PolarHBondContact O-N 3.12Å; L210-L287 HydrophobicContact CD1-CB 3.83Å; L210-L287 HydrophobicContact CD1-CD1 4.04Å
211L93.3Very high86.3Confident0 Ų055.8 Ų55.80%026%0.258CS..Hα-helixtrans-64.9-39.9177.9-72.9172.7000111.8L155 A159 V167 L171 V177 I188 L191 C207 L208 R213 A214 A215L155-L211 HydrophobicContact CD1-CD2 4.13Å; L155-L211 HydrophobicContact CD2-CD2 4.49Å; L155-L211 HydrophobicContact CG-CD2 4.5Å; A159-L211 HydrophobicContact CB-CD1 3.82Å; V167-L211 HydrophobicContact CG1-CD2 3.74Å; V167-L211 HydrophobicContact CG1-CG 4.05Å; L171-L211 HydrophobicContact CD1-CD2 4.48Å; V177-L211 HydrophobicContact CG1-CD2 4.42Å; I188-L211 HydrophobicContact CD1-CB 4.3Å; I188-L211 HydrophobicContact CG1-CB 3.71Å; I188-L211 HydrophobicContact CG1-CD1 4.43Å; L191-L211 HydrophobicContact CD2-CD1 3.87Å; C207-L211 WeakPolarHBondContact O-CB 3.48Å; C207-L211 WeakPolarHBondContact O-CG 3.44Å; C207-L211 PolarHBondContact O-N 3.23Å; L208-L211 PolarHBondContact O-N 3.19Å; L211-R213 VanDerWaalsContact C-N 3.34Å; L211-R213 PolarHBondContact O-N 3.06Å; L211-A214 PolarHBondContact O-N 3.33Å; L211-A215 VanDerWaalsContact O-CB 3.23Å; L211-A215 WeakPolarHBondContact O-CB 3.32Å; L211-A215 PolarHBondContact O-N 3.49Å
212C89.9Confident86Confident12 Ų1256 Ų568%0.08125%0.251CS..Hα-helixtrans-62.4-41.6174.7-73.10000111.6L208 E209 L210 A215 G216 F218 M244L208-C212 WeakPolarHBondContact O-CB 3.34Å; L208-C212 PolarHBondContact O-N 3.03Å; L208-C212 PolarHBondContact O-SG 3.34Å; E209-C212 PolarHBondContact O-N 3.37Å; L210-C212 PolarHBondContact O-N 3.5Å; C212-A215 PolarHBondContact O-N 3.17Å; C212-G216 PolarHBondContact O-N 2.66Å; C212-F218 HydrophobicContact CB-CD1 4.39Å; C212-F218 HydrophobicContact CB-CE1 3.96Å; C212-F218 WeakPolarHBondContact SG-CE1 3.32Å; C212-F218 VanDerWaalsContact SG-CZ 3.55Å; C212-M244 HydrophobicContact CB-CE 3.54Å; C212-M244 WeakPolarHBondContact SG-CE 3.22Å
213R89.4Confident85.4Confident74 Ų7452.6 Ų52.628%0.27925%0.252SS..Hα-helixtrans-61-47.2173.1-75.4-179.9-116.6175.7-1.3110.8E209 L210 L211 A215 G216 R256 L287 D289E209-R213 WeakPolarHBondContact O-CB 3.28Å; E209-R213 VanDerWaalsContact O-CG 3.29Å; E209-R213 WeakPolarHBondContact O-CG 3.46Å; E209-R213 PolarHBondContact O-N 2.63Å; E209-R213 IonicContact OE2-NH2 3.14Å; E209-R213 PolarHBondContact OE2-NH2 3.44Å; E209-R213 VanDerWaalsContact OE2-NH2 3.14Å; L210-R213 WeakPolarHBondContact O-CB 3.48Å; L210-R213 PolarHBondContact O-N 3.45Å; L211-R213 VanDerWaalsContact C-N 3.34Å; L211-R213 PolarHBondContact O-N 3.06Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 2.95Å; R213-G216 PolarHBondContact O-N 3.05Å; R213-R256 VanDerWaalsContact C-NH2 3.3Å; R213-R256 PolarHBondContact O-NE 3.01Å; R213-R256 PolarHBondContact O-NH2 2.94Å; R213-L287 HydrophobicContact CB-CD2 4.12Å; R213-D289 PolarHBondContact NH1-O 2.93Å; R213-D289 VanDerWaalsContact NH1-O 3.15Å
214A90.5Very high84.7Confident9 Ų954 Ų547%0.07426%0.262CS..Hα-helixtrans-65-35.6-18000000113.1L171 V177 L210 L211 C257 L287L171-A214 HydrophobicContact CD1-CB 3.93Å; L171-A214 HydrophobicContact CD2-CB 3.95Å; V177-A214 HydrophobicContact CG1-CB 3.88Å; L210-A214 WeakPolarHBondContact O-CB 3.37Å; L210-A214 PolarHBondContact O-N 3.12Å; L211-A214 PolarHBondContact O-N 3.33Å; A214-C257 PolarHBondContact O-SG 3.15Å; A214-L287 HydrophobicContact CB-CD1 3.7Å
215A87.9Confident84Confident4 Ų454.9 Ų54.93%0.03328%0.277CS..Hα-helixtrans-73.7-38.117900000113.3V177 H178 I188 L211 C212 R213 R217 F218V177-A215 HydrophobicContact CG2-CB 4.12Å; H178-A215 PolarHBondContact NE2-O 3.37Å; I188-A215 HydrophobicContact CD1-CB 3.6Å; L211-A215 VanDerWaalsContact O-CB 3.23Å; L211-A215 WeakPolarHBondContact O-CB 3.32Å; L211-A215 PolarHBondContact O-N 3.49Å; C212-A215 PolarHBondContact O-N 3.17Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 2.95Å; A215-R217 PolarHBondContact O-N 3.23Å; A215-F218 HydrophobicContact CB-CB 4.42Å
216G81.8Confident83.5Confident18 Ų1855.9 Ų55.919%0.18629%0.286CS..SBendtrans69.8-38.4-175.900000114.3C212 R213C212-G216 PolarHBondContact O-N 2.66Å; R213-G216 PolarHBondContact O-N 3.05Å
217R81.3Confident82.9Confident158 Ų15854.1 Ų54.160%0.59628%0.279SS*.SBendtrans-137.8133.9170.7176.3-178.7173.1-175.3-5.4108H178 A215 E219H178-R217 PolarHBondContact CE1-O 3.49Å; A215-R217 PolarHBondContact O-N 3.23Å; R217-E219 IonicContact NH2-OE1 3.48Å; R217-E219 PolarHBondContact NH2-OE1 2.98Å
218F80.4Confident82.1Confident23 Ų2354.7 Ų54.710%0.10128%0.283CS..  trans-144.2161.8173.767.1-83.4000110.7I188 C212 A215 I220 L241 M244 V245I188-F218 HydrophobicContact CD1-CB 3.73Å; I188-F218 HydrophobicContact CD1-CD1 4.41Å; I188-F218 HydrophobicContact CD1-CG 4Å; I188-F218 HydrophobicContact CG2-CD2 3.99Å; I188-F218 HydrophobicContact CG2-CE2 4.39Å; I188-F218 HydrophobicContact CG2-CG 4.48Å; C212-F218 HydrophobicContact CB-CD1 4.39Å; C212-F218 HydrophobicContact CB-CE1 3.96Å; C212-F218 WeakPolarHBondContact SG-CE1 3.32Å; C212-F218 VanDerWaalsContact SG-CZ 3.55Å; A215-F218 HydrophobicContact CB-CB 4.42Å; F218-I220 HydrophobicContact CD2-CG1 4.47Å; F218-I220 HydrophobicContact CE2-CG1 4.01Å; F218-L241 HydrophobicContact CE2-CD2 4.24Å; F218-L241 HydrophobicContact CZ-CD2 4.39Å; F218-M244 HydrophobicContact CE1-CB 4.29Å; F218-M244 HydrophobicContact CZ-CB 3.97Å; F218-V245 HydrophobicContact CD2-CG2 3.93Å; F218-V245 HydrophobicContact CE1-CG2 4.14Å; F218-V245 HydrophobicContact CE2-CG2 3.46Å; F218-V245 VanDerWaalsContact CE2-CG2 3.46Å; F218-V245 HydrophobicContact CG-CG2 4.47Å; F218-V245 HydrophobicContact CZ-CG2 3.58Å
219E77.3Confident81.4Confident121 Ų12162.3 Ų62.357%0.56532%0.316SS*.  trans-116.7135.4178.1-63.5-176.417900109.3R217R217-E219 IonicContact NH2-OE1 3.48Å; R217-E219 PolarHBondContact NH2-OE1 2.98Å
220I75.7Confident80.8Confident27 Ų2760.9 Ų60.914%0.13831%0.309CS..SBendtrans-85.6-29.5177.4-57.9156000110.3F218 L227 P228 L231 L241 V245F218-I220 HydrophobicContact CD2-CG1 4.47Å; F218-I220 HydrophobicContact CE2-CG1 4.01Å; I220-L227 HydrophobicContact CG2-CD1 3.73Å; I220-P228 WeakPolarHBondContact O-CD 3.35Å; I220-L231 HydrophobicContact CG2-CD1 3.49Å; I220-L231 VanDerWaalsContact CG2-CD1 3.49Å; I220-L241 HydrophobicContact CD1-CB 3.55Å; I220-L241 HydrophobicContact CG1-CB 4.05Å; I220-V245 HydrophobicContact CD1-CB 4.22Å; I220-V245 HydrophobicContact CD1-CG2 3.59Å; I220-V245 HydrophobicContact CG1-CG2 3.79Å
221R76.7Confident80Confident155 Ų15560.4 Ų60.459%0.58531%0.307SS*.SBendtrans-78.2145.7179.3-68.2177.7-179.1-82.5-4.1109.6G225 T226R221-G225 WeakPolarHBondContact CD-O 3.38Å; R221-G225 PolarHBondContact NH1-O 2.89Å; R221-T226 WeakPolarHBondContact CA-O 3.21Å
222R73.3Confident79.2Confident75 Ų7564.4 Ų64.428%0.28334%0.335SS..  trans-69167.6171.2-64.6178.7-177.6-145.21.6109.7D224 G225 T226 P228R222-D224 VanDerWaalsContact CB-OD1 3.25Å; R222-D224 WeakPolarHBondContact CB-OD1 3.4Å; R222-D224 PolarHBondContact O-N 2.95Å; R222-D224 VanDerWaalsContact O-N 3.07Å; R222-G225 WeakPolarHBondContact O-CA 3.13Å; R222-G225 PolarHBondContact O-N 3.21Å; R222-T226 PolarHBondContact N-O 3.06Å; R222-P228 HydrophobicContact CG-CG 4.44Å
223A70.8Confident78.7Confident101 Ų10172.1 Ų72.184%0.83537%0.367SS*.THydrogen-bonded Turntrans-57.2-23.6177.500000113.9G225A223-G225 VanDerWaalsContact C-N 3.27Å; A223-G225 PolarHBondContact O-N 2.63Å
224D72.1Confident78.5Confident109 Ų10970.8 Ų70.858%0.58337%0.365SS*.THydrogen-bonded Turntrans-83.13.5174.564.57.7000113.9R222 T226R222-D224 VanDerWaalsContact CB-OD1 3.25Å; R222-D224 WeakPolarHBondContact CB-OD1 3.4Å; R222-D224 PolarHBondContact O-N 2.95Å; R222-D224 VanDerWaalsContact O-N 3.07Å; D224-T226 VanDerWaalsContact CG-OG1 3.25Å; D224-T226 PolarHBondContact O-N 3.11Å; D224-T226 VanDerWaalsContact OD1-CB 3.27Å; D224-T226 WeakPolarHBondContact OD1-CB 3.35Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.2Å; D224-T226 PolarHBondContact OD1-N 3.23Å; D224-T226 PolarHBondContact OD1-OG1 3.23Å; D224-T226 PolarHBondContact OD2-OG1 3.47Å
225G73.6Confident78.1Confident39 Ų3975.1 Ų75.140%0.40239%0.392SS..SBendtrans79.4-3.1-177.600000114.7R221 R222 A223R221-G225 WeakPolarHBondContact CD-O 3.38Å; R221-G225 PolarHBondContact NH1-O 2.89Å; R222-G225 WeakPolarHBondContact O-CA 3.13Å; R222-G225 PolarHBondContact O-N 3.21Å; A223-G225 VanDerWaalsContact C-N 3.27Å; A223-G225 PolarHBondContact O-N 2.63Å
226T79.2Confident77.9Confident66 Ų6681.9 Ų81.941%0.40542%0.423SS..PPolyproline II helixtrans-79.9146.7-178.469.70000111.7R221 R222 D224R221-T226 WeakPolarHBondContact CA-O 3.21Å; R222-T226 PolarHBondContact N-O 3.06Å; D224-T226 VanDerWaalsContact CG-OG1 3.25Å; D224-T226 PolarHBondContact O-N 3.11Å; D224-T226 VanDerWaalsContact OD1-CB 3.27Å; D224-T226 WeakPolarHBondContact OD1-CB 3.35Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.2Å; D224-T226 PolarHBondContact OD1-N 3.23Å; D224-T226 PolarHBondContact OD1-OG1 3.23Å; D224-T226 PolarHBondContact OD2-OG1 3.47Å
227L78.9Confident78Confident47 Ų4781.3 Ų81.325%0.24642%0.416CS..PPolyproline II helixtrans-79.6137.3169.4-167.775.7000108.6I220 K229 L231 L238I220-L227 HydrophobicContact CG2-CD1 3.73Å; L227-K229 PolarHBondContact O-N 3.21Å; L227-L231 HydrophobicContact CD1-CB 4.46Å; L227-L231 HydrophobicContact CD1-CD1 4.24Å; L227-L231 HydrophobicContact CD2-CB 4.05Å; L227-L231 HydrophobicContact CG-CB 4.05Å; L227-L238 HydrophobicContact CD1-CD1 3.74Å; L227-L238 HydrophobicContact CD2-CD1 3.86Å; L227-L238 HydrophobicContact CD2-CD2 3.86Å; L227-L238 HydrophobicContact CG-CD1 4.42Å
228P76.3Confident78.2Confident12 Ų1276 Ų768%0.07840%0.399CS..PPolyproline II helixtrans-51.6132.1170.4-27.135.9000111I220 R222 E230 L231 S232I220-P228 WeakPolarHBondContact O-CD 3.35Å; R222-P228 HydrophobicContact CG-CG 4.44Å; P228-E230 WeakPolarHBondContact CB-OE2 3.29Å; P228-E230 PolarHBondContact O-N 3.34Å; P228-E230 VanDerWaalsContact O-N 3.15Å; P228-L231 HydrophobicContact CB-CB 4.49Å; P228-L231 HydrophobicContact CB-CD1 4.03Å; P228-L231 HydrophobicContact CG-CD1 3.82Å; P228-L231 WeakPolarHBondContact O-CB 3.37Å; P228-L231 PolarHBondContact O-N 2.89Å; P228-S232 PolarHBondContact O-N 3.22Å
229K77.6Confident78.4Confident164 Ų16477.2 Ų77.271%0.71341%0.414SS*.THydrogen-bonded Turntrans-59.6-29.9-177-67-178.2179.1-179.90111.5L227 S232L227-K229 PolarHBondContact O-N 3.21Å; K229-S232 PolarHBondContact O-N 3.41Å; K229-S232 PolarHBondContact O-OG 3.32Å
230E76.4Confident78.7Confident53 Ų5376.1 Ų76.125%0.24841%0.405CS..THydrogen-bonded Turntrans-61.8-45.9176.8-58.475.7-166.900110.7A196 P228 S232 K233A196-E230 HydrophobicContact CB-CB 3.74Å; P228-E230 WeakPolarHBondContact CB-OE2 3.29Å; P228-E230 PolarHBondContact O-N 3.34Å; P228-E230 VanDerWaalsContact O-N 3.15Å; E230-S232 VanDerWaalsContact C-N 3.32Å; E230-S232 PolarHBondContact O-N 2.89Å; E230-K233 WeakPolarHBondContact O-CB 3.16Å; E230-K233 PolarHBondContact O-N 3.47Å; E230-K233 VanDerWaalsContact O-N 3.12Å
231L77.3Confident79.1Confident2 Ų274.9 Ų74.91%0.0140%0.398CS..G310 helixtrans-65.4-29.8178-87.9159.1000113.8V192 I220 L227 P228 K233 D234 L237 L238 L241V192-L231 HydrophobicContact CG1-CD1 3.49Å; V192-L231 VanDerWaalsContact CG1-CD1 3.49Å; V192-L231 HydrophobicContact CG1-CD2 3.67Å; V192-L231 HydrophobicContact CG1-CG 3.64Å; I220-L231 HydrophobicContact CG2-CD1 3.49Å; I220-L231 VanDerWaalsContact CG2-CD1 3.49Å; L227-L231 HydrophobicContact CD1-CB 4.46Å; L227-L231 HydrophobicContact CD1-CD1 4.24Å; L227-L231 HydrophobicContact CD2-CB 4.05Å; L227-L231 HydrophobicContact CG-CB 4.05Å; P228-L231 HydrophobicContact CB-CB 4.49Å; P228-L231 HydrophobicContact CB-CD1 4.03Å; P228-L231 HydrophobicContact CG-CD1 3.82Å; P228-L231 WeakPolarHBondContact O-CB 3.37Å; P228-L231 PolarHBondContact O-N 2.89Å; L231-K233 PolarHBondContact O-N 3.2Å; L231-K233 VanDerWaalsContact O-N 3.13Å; L231-D234 PolarHBondContact O-N 2.81Å; L231-D234 VanDerWaalsContact O-N 3.16Å; L231-L237 HydrophobicContact CD2-CD2 4.02Å; L231-L237 HydrophobicContact CD2-CG 4.05Å; L231-L238 HydrophobicContact CD2-CB 4.44Å; L231-L238 HydrophobicContact CD2-CD1 4.41Å; L231-L241 HydrophobicContact CD2-CD1 3.61Å
232S77Confident79.5Confident84 Ų8470 Ų7059%0.58739%0.388SS*.G310 helixtrans-63.6-16.2175.465.70000113.7P228 K229 E230P228-S232 PolarHBondContact O-N 3.22Å; K229-S232 PolarHBondContact O-N 3.41Å; K229-S232 PolarHBondContact O-OG 3.32Å; E230-S232 VanDerWaalsContact C-N 3.32Å; E230-S232 PolarHBondContact O-N 2.89Å
233K80.4Confident80.1Confident173 Ų17371.4 Ų71.475%0.75240%0.401SS*.G310 helixtrans-91-14.1178.7-59.1179.4-179.1-178.10113.2E230 L231E230-K233 WeakPolarHBondContact O-CB 3.16Å; E230-K233 PolarHBondContact O-N 3.47Å; E230-K233 VanDerWaalsContact O-N 3.12Å; L231-K233 PolarHBondContact O-N 3.2Å; L231-K233 VanDerWaalsContact O-N 3.13Å
234D83.7Confident80.5Confident46 Ų4669.6 Ų69.625%0.24638%0.376CS..  trans-123.490.2-178.9-170.4-21000110.6L231 Q236 L237 L238L231-D234 PolarHBondContact O-N 2.81Å; L231-D234 VanDerWaalsContact O-N 3.16Å; D234-Q236 VanDerWaalsContact C-N 3.26Å; D234-Q236 PolarHBondContact O-N 2.89Å; D234-Q236 PolarHBondContact OD1-N 3.27Å; D234-Q236 VanDerWaalsContact OD1-N 3.12Å; D234-L237 HydrophobicContact CB-CB 4.08Å; D234-L237 VanDerWaalsContact CG-CB 3.42Å; D234-L237 PolarHBondContact OD1-N 3.18Å; D234-L237 WeakPolarHBondContact OD2-CB 3.36Å; D234-L238 WeakPolarHBondContact O-CB 3.38Å; D234-L238 PolarHBondContact O-N 3.41Å; D234-L238 VanDerWaalsContact O-N 3.1Å
235P82.1Confident81Confident100 Ų10067.3 Ų67.365%0.64937%0.366SS*.Hα-helixtrans-68.5-25.1-178.227.7-33.7000112.8A239P235-A239 WeakPolarHBondContact O-CB 3.37Å; P235-A239 PolarHBondContact O-N 3.4Å
236Q84.4Confident81.2Confident146 Ų14669.3 Ų69.368%0.68238%0.379SS*.Hα-helixtrans-75.3-47.1-178.7-174.9175.4-2.600110.7D234 L238 A239 R240D234-Q236 VanDerWaalsContact C-N 3.26Å; D234-Q236 PolarHBondContact O-N 2.89Å; D234-Q236 PolarHBondContact OD1-N 3.27Å; D234-Q236 VanDerWaalsContact OD1-N 3.12Å; Q236-L238 VanDerWaalsContact C-N 3.3Å; Q236-L238 PolarHBondContact O-N 3.19Å; Q236-A239 PolarHBondContact O-N 3.01Å; Q236-R240 WeakPolarHBondContact O-CG 3.44Å; Q236-R240 PolarHBondContact O-N 3.46Å
237L83.8Confident81.1Confident6 Ų673.1 Ų73.13%0.03139%0.392CS..Hα-helixtrans-60.7-42.5173.1-178.862.3000111V192 L195 A196 L231 D234 A239 R240 L241V192-L237 HydrophobicContact CG1-CD2 4.42Å; L195-L237 HydrophobicContact CB-CD2 3.75Å; L195-L237 HydrophobicContact CD1-CD1 4.28Å; A196-L237 HydrophobicContact CB-CD2 4.07Å; L231-L237 HydrophobicContact CD2-CD2 4.02Å; L231-L237 HydrophobicContact CD2-CG 4.05Å; D234-L237 HydrophobicContact CB-CB 4.08Å; D234-L237 VanDerWaalsContact CG-CB 3.42Å; D234-L237 PolarHBondContact OD1-N 3.18Å; D234-L237 WeakPolarHBondContact OD2-CB 3.36Å; L237-A239 PolarHBondContact O-N 2.98Å; L237-R240 PolarHBondContact O-N 3.12Å; L237-L241 HydrophobicContact CD1-CD1 4.18Å; L237-L241 HydrophobicContact CD1-CG 4.24Å; L237-L241 HydrophobicContact CG-CD1 3.97Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.37Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.06Å
238L84.8Confident80.6Confident46 Ų4674.8 Ų74.824%0.24141%0.412CS..Hα-helixtrans-61.3-43.1176.7-177.562.1000112.3L227 L231 D234 Q236 S242L227-L238 HydrophobicContact CD1-CD1 3.74Å; L227-L238 HydrophobicContact CD2-CD1 3.86Å; L227-L238 HydrophobicContact CD2-CD2 3.86Å; L227-L238 HydrophobicContact CG-CD1 4.42Å; L231-L238 HydrophobicContact CD2-CB 4.44Å; L231-L238 HydrophobicContact CD2-CD1 4.41Å; D234-L238 WeakPolarHBondContact O-CB 3.38Å; D234-L238 PolarHBondContact O-N 3.41Å; D234-L238 VanDerWaalsContact O-N 3.1Å; Q236-L238 VanDerWaalsContact C-N 3.3Å; Q236-L238 PolarHBondContact O-N 3.19Å; L238-S242 VanDerWaalsContact O-CB 3.22Å; L238-S242 WeakPolarHBondContact O-CB 3.33Å; L238-S242 PolarHBondContact O-N 3.44Å; L238-S242 PolarHBondContact O-OG 3.28Å
239A84.4Confident80.8Confident50 Ų5076.8 Ų76.841%0.41343%0.425SS..Hα-helixtrans-63.7-43.3177.100000111.6P235 Q236 L237 S242 N243P235-A239 WeakPolarHBondContact O-CB 3.37Å; P235-A239 PolarHBondContact O-N 3.4Å; Q236-A239 PolarHBondContact O-N 3.01Å; L237-A239 PolarHBondContact O-N 2.98Å; A239-S242 PolarHBondContact O-N 3.19Å; A239-N243 WeakPolarHBondContact O-CB 3.24Å; A239-N243 PolarHBondContact O-N 3.39Å; A239-N243 PolarHBondContact O-ND2 3.02Å
240R84.3Confident81.2Confident97 Ų9772.9 Ų72.937%0.36642%0.416SS..Hα-helixtrans-60.6-52.4176.2-74.3175.868.4-153.8-4111.6E205 Q236 L237 S242 N243 M244E205-R240 IonicContact OE1-CZ 3.86Å; E205-R240 IonicContact OE1-NH1 2.84Å; E205-R240 PolarHBondContact OE1-NH1 3.49Å; E205-R240 IonicContact OE1-NH2 4Å; E205-R240 IonicContact OE2-CZ 3.26Å; E205-R240 VanDerWaalsContact OE2-CZ 3.26Å; E205-R240 IonicContact OE2-NH1 2.97Å; E205-R240 PolarHBondContact OE2-NH1 3.32Å; E205-R240 IonicContact OE2-NH2 2.72Å; E205-R240 PolarHBondContact OE2-NH2 3.47Å; Q236-R240 WeakPolarHBondContact O-CG 3.44Å; Q236-R240 PolarHBondContact O-N 3.46Å; L237-R240 PolarHBondContact O-N 3.12Å; R240-S242 VanDerWaalsContact C-N 3.31Å; R240-S242 PolarHBondContact O-N 3.22Å; R240-N243 WeakPolarHBondContact O-CB 3.27Å; R240-N243 PolarHBondContact O-N 2.89Å; R240-N243 VanDerWaalsContact O-N 3.16Å; R240-M244 WeakPolarHBondContact O-CG 3.2Å; R240-M244 PolarHBondContact O-N 2.88Å
241L84.8Confident81.6Confident1 Ų177.5 Ų77.51%0.00544%0.441CS..Hα-helixtrans-61-41.5178.2-69.4171.5000111.5V192 L208 F218 I220 L231 L237 N243 M244 V245V192-L241 HydrophobicContact CB-CD1 4.42Å; V192-L241 HydrophobicContact CG1-CD1 3.58Å; V192-L241 HydrophobicContact CG2-CD1 3.87Å; V192-L241 HydrophobicContact CG2-CD2 4.11Å; L208-L241 HydrophobicContact CD1-CD2 4.25Å; L208-L241 HydrophobicContact CD2-CD2 3.92Å; F218-L241 HydrophobicContact CE2-CD2 4.24Å; F218-L241 HydrophobicContact CZ-CD2 4.39Å; I220-L241 HydrophobicContact CD1-CB 3.55Å; I220-L241 HydrophobicContact CG1-CB 4.05Å; L231-L241 HydrophobicContact CD2-CD1 3.61Å; L237-L241 HydrophobicContact CD1-CD1 4.18Å; L237-L241 HydrophobicContact CD1-CG 4.24Å; L237-L241 HydrophobicContact CG-CD1 3.97Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.37Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.06Å; L241-N243 VanDerWaalsContact C-N 3.3Å; L241-N243 PolarHBondContact O-N 3.3Å; L241-M244 HydrophobicContact CD2-SD 4.39Å; L241-M244 WeakPolarHBondContact O-CB 3.44Å; L241-M244 PolarHBondContact O-N 3.15Å; L241-M244 VanDerWaalsContact O-N 3.16Å; L241-V245 WeakPolarHBondContact O-CG2 3.48Å; L241-V245 PolarHBondContact O-N 3.25Å
242S84.8Confident82.2Confident53 Ų5384.2 Ų84.237%0.37147%0.466SS..Hα-helixtrans-61.4-39.9176.9-60.80000111.5L238 A239 R240 V245 A246L238-S242 VanDerWaalsContact O-CB 3.22Å; L238-S242 WeakPolarHBondContact O-CB 3.33Å; L238-S242 PolarHBondContact O-N 3.44Å; L238-S242 PolarHBondContact O-OG 3.28Å; A239-S242 PolarHBondContact O-N 3.19Å; R240-S242 VanDerWaalsContact C-N 3.31Å; R240-S242 PolarHBondContact O-N 3.22Å; S242-V245 PolarHBondContact O-N 2.85Å; S242-A246 WeakPolarHBondContact O-CB 3.33Å; S242-A246 PolarHBondContact O-N 3.35Å
243N84.6Confident82.7Confident105 Ų10580.7 Ų80.756%0.56144%0.442SS*.Hα-helixtrans-64.5-41.2174.2-71-21.2000111.8A239 R240 L241 A246 Q247A239-N243 WeakPolarHBondContact O-CB 3.24Å; A239-N243 PolarHBondContact O-N 3.39Å; A239-N243 PolarHBondContact O-ND2 3.02Å; R240-N243 WeakPolarHBondContact O-CB 3.27Å; R240-N243 PolarHBondContact O-N 2.89Å; R240-N243 VanDerWaalsContact O-N 3.16Å; L241-N243 VanDerWaalsContact C-N 3.3Å; L241-N243 PolarHBondContact O-N 3.3Å; N243-A246 PolarHBondContact O-N 2.83Å; N243-Q247 WeakPolarHBondContact O-CG 3.38Å; N243-Q247 PolarHBondContact O-N 3.33Å
244M81.2Confident83Confident62 Ų6276.1 Ų76.131%0.30543%0.425SS..Hα-helixtrans-64.5-40.6176.9-66.4172.376.200112.2C212 F218 R240 L241C212-M244 HydrophobicContact CB-CE 3.54Å; C212-M244 WeakPolarHBondContact SG-CE 3.22Å; F218-M244 HydrophobicContact CE1-CB 4.29Å; F218-M244 HydrophobicContact CZ-CB 3.97Å; R240-M244 WeakPolarHBondContact O-CG 3.2Å; R240-M244 PolarHBondContact O-N 2.88Å; L241-M244 HydrophobicContact CD2-SD 4.39Å; L241-M244 WeakPolarHBondContact O-CB 3.44Å; L241-M244 PolarHBondContact O-N 3.15Å; L241-M244 VanDerWaalsContact O-N 3.16Å
245V81.4Confident83.4Confident62 Ų6276 Ų7638%0.37643%0.43SS..Hα-helixtrans-74.3-33.9178173.30000112.3F218 I220 L241 S242 Q247F218-V245 HydrophobicContact CD2-CG2 3.93Å; F218-V245 HydrophobicContact CE1-CG2 4.14Å; F218-V245 HydrophobicContact CE2-CG2 3.46Å; F218-V245 VanDerWaalsContact CE2-CG2 3.46Å; F218-V245 HydrophobicContact CG-CG2 4.47Å; F218-V245 HydrophobicContact CZ-CG2 3.58Å; I220-V245 HydrophobicContact CD1-CB 4.22Å; I220-V245 HydrophobicContact CD1-CG2 3.59Å; I220-V245 HydrophobicContact CG1-CG2 3.79Å; L241-V245 WeakPolarHBondContact O-CG2 3.48Å; L241-V245 PolarHBondContact O-N 3.25Å; S242-V245 PolarHBondContact O-N 2.85Å; V245-Q247 VanDerWaalsContact C-N 3.26Å; V245-Q247 PolarHBondContact O-N 3.33Å
246A77.8Confident83.8Confident81 Ų8171.7 Ų71.767%0.66940%0.401SS*.Hα-helixtrans-69-25.4178.800000112.7S242 N243 A248S242-A246 WeakPolarHBondContact O-CB 3.33Å; S242-A246 PolarHBondContact O-N 3.35Å; N243-A246 PolarHBondContact O-N 2.83Å; A246-A248 PolarHBondContact O-N 2.98Å; A246-A248 VanDerWaalsContact O-N 3.13Å
247Q76.2Confident84Confident146 Ų14665.5 Ų65.568%0.68237%0.374SS*.SBendtrans-67111.6170.8-71.3176.125.600108.9N243 V245N243-Q247 WeakPolarHBondContact O-CG 3.38Å; N243-Q247 PolarHBondContact O-N 3.33Å; V245-Q247 VanDerWaalsContact C-N 3.26Å; V245-Q247 PolarHBondContact O-N 3.33Å
248A69.6Low84.2Confident81 Ų8169 Ų6967%0.66940%0.396SS*.PPolyproline II helixtrans-55.5134.6175.800000109.6A246 T250A246-A248 PolarHBondContact O-N 2.98Å; A246-A248 VanDerWaalsContact O-N 3.13Å; A248-T250 PolarHBondContact O-N 3.32Å; A248-T250 VanDerWaalsContact O-N 3.15Å
249P79.4Confident84.5Confident54 Ų5469.9 Ų69.935%0.35140%0.4SS..PPolyproline II helixtrans-59.8125.2179.425.3-33.5000108.7L254P249-L254 HydrophobicContact CB-CD2 3.94Å; P249-L254 HydrophobicContact CB-CG 4.08Å; P249-L254 HydrophobicContact CG-CD2 4.2Å; P249-L254 HydrophobicContact CG-CG 4.49Å
250T86.3Confident84.8Confident83 Ų8368.8 Ų68.851%0.50939%0.385SS..PPolyproline II helixtrans-67.2152.8177.8640000109.6A248 R252 S253 L254A248-T250 PolarHBondContact O-N 3.32Å; A248-T250 VanDerWaalsContact O-N 3.15Å; T250-R252 PolarHBondContact O-N 2.99Å; T250-R252 VanDerWaalsContact O-N 3.07Å; T250-S253 PolarHBondContact N-OG 2.97Å; T250-S253 PolarHBondContact O-N 3.28Å; T250-S253 PolarHBondContact O-OG 3.49Å; T250-S253 PolarHBondContact OG1-N 3.45Å; T250-S253 VanDerWaalsContact OG1-N 3.14Å; T250-L254 PolarHBondContact O-N 3.43Å; T250-L254 VanDerWaalsContact O-N 3.11Å
251L86.4Confident84.9Confident150 Ų15070.8 Ų70.879%0.78540%0.398SS*.Hα-helixtrans-52.6-34.2171.9-177.564.1000111.1A255L251-A255 VanDerWaalsContact O-CB 3.25Å; L251-A255 WeakPolarHBondContact O-CB 3.48Å; L251-A255 PolarHBondContact O-N 3.16Å
252R88.6Confident85Confident142 Ų14275 Ų7554%0.53643%0.428SS..Hα-helixtrans-62.6-45176.4-162.8-173.2170.7151.6-3.4112.5T250 A255 R256 Y284T250-R252 PolarHBondContact O-N 2.99Å; T250-R252 VanDerWaalsContact O-N 3.07Å; R252-A255 PolarHBondContact O-N 3.13Å; R252-R256 PolarHBondContact O-N 3.41Å; R252-Y284 HydrophobicContact CG-CD1 4.36Å; R252-Y284 HydrophobicContact CG-CE1 3.54Å; R252-Y284 HydrophobicContact CG-CE2 4.4Å; R252-Y284 PolarHBondContact O-OH 2.74Å
253S87.6Confident85.1Confident11 Ų1174.6 Ų74.68%0.07742%0.422CS..Hα-helixtrans-70-38.6179.167.30000112.3T250 R256 C257 Y284T250-S253 PolarHBondContact N-OG 2.97Å; T250-S253 PolarHBondContact O-N 3.28Å; T250-S253 PolarHBondContact O-OG 3.49Å; T250-S253 PolarHBondContact OG1-N 3.45Å; T250-S253 VanDerWaalsContact OG1-N 3.14Å; S253-R256 PolarHBondContact O-N 3.46Å; S253-C257 PolarHBondContact O-N 3Å; S253-C257 VanDerWaalsContact O-N 3.12Å; S253-C257 PolarHBondContact O-SG 2.97Å; S253-Y284 WeakPolarHBondContact CA-OH 3.3Å; S253-Y284 PolarHBondContact N-OH 3.31Å
254L87.4Confident84.9Confident77 Ų7773.3 Ų73.340%0.40343%0.433SS..Hα-helixtrans-63.8-43.3174.1-64.2177.1000111.5P249 T250 C257 T258P249-L254 HydrophobicContact CB-CD2 3.94Å; P249-L254 HydrophobicContact CB-CG 4.08Å; P249-L254 HydrophobicContact CG-CD2 4.2Å; P249-L254 HydrophobicContact CG-CG 4.49Å; T250-L254 PolarHBondContact O-N 3.43Å; T250-L254 VanDerWaalsContact O-N 3.11Å; L254-C257 PolarHBondContact O-N 2.85Å; L254-T258 WeakPolarHBondContact O-CB 3.47Å; L254-T258 PolarHBondContact O-N 3.38Å; L254-T258 PolarHBondContact O-OG1 3.31Å
255A90.8Very high85.1Confident42 Ų4273.2 Ų73.235%0.34744%0.436SS..Hα-helixtrans-60.5-45.7176.100000111.3L251 R252 C257 T258 I259L251-A255 VanDerWaalsContact O-CB 3.25Å; L251-A255 WeakPolarHBondContact O-CB 3.48Å; L251-A255 PolarHBondContact O-N 3.16Å; R252-A255 PolarHBondContact O-N 3.13Å; A255-C257 PolarHBondContact O-N 2.9Å; A255-T258 PolarHBondContact O-N 3.46Å; A255-I259 WeakPolarHBondContact O-CB 3.47Å; A255-I259 WeakPolarHBondContact O-CD1 3.41Å; A255-I259 VanDerWaalsContact O-CG1 3.22Å; A255-I259 WeakPolarHBondContact O-CG1 3.29Å; A255-I259 PolarHBondContact O-N 2.92Å
256R91.9Very high85.3Confident11 Ų1175.6 Ų75.64%0.04244%0.443CS..Hα-helixtrans-55.3-50.4175.3173.2172.370.6-165.5-3.6112.3R213 R252 S253 T258 I259 R260 Y284 L285 D289R213-R256 VanDerWaalsContact C-NH2 3.3Å; R213-R256 PolarHBondContact O-NE 3.01Å; R213-R256 PolarHBondContact O-NH2 2.94Å; R252-R256 PolarHBondContact O-N 3.41Å; S253-R256 PolarHBondContact O-N 3.46Å; R256-T258 VanDerWaalsContact C-N 3.32Å; R256-T258 PolarHBondContact O-N 3.28Å; R256-I259 PolarHBondContact O-N 3.38Å; R256-R260 HydrophobicContact CG-CG 4.43Å; R256-R260 WeakPolarHBondContact O-CB 3.49Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.32Å; R256-R260 PolarHBondContact O-N 3Å; R256-Y284 HydrophobicContact CB-CD1 4.29Å; R256-Y284 HydrophobicContact CB-CE1 3.63Å; R256-Y284 WeakPolarHBondContact CD-O 3.32Å; R256-Y284 HydrophobicContact CG-CE1 4.28Å; R256-Y284 VanDerWaalsContact NH1-CE2 3.32Å; R256-L285 HydrophobicContact CB-CD2 4.34Å; R256-L285 HydrophobicContact CG-CD2 4.32Å; R256-D289 IonicContact NH1-OD1 3.45Å; R256-D289 PolarHBondContact NH1-OD1 3.28Å; R256-D289 IonicContact NH1-OD2 3.76Å
257C87.4Confident86.1Confident16 Ų1674.2 Ų74.211%0.10842%0.422CS..Hα-helixtrans-60.1-46.1-179.4-63.30000111.1A214 S253 L254 A255 R260 Q261A214-C257 PolarHBondContact O-SG 3.15Å; S253-C257 PolarHBondContact O-N 3Å; S253-C257 VanDerWaalsContact O-N 3.12Å; S253-C257 PolarHBondContact O-SG 2.97Å; L254-C257 PolarHBondContact O-N 2.85Å; A255-C257 PolarHBondContact O-N 2.9Å; C257-R260 PolarHBondContact O-N 3.39Å; C257-Q261 WeakPolarHBondContact O-CB 3.38Å; C257-Q261 VanDerWaalsContact O-CG 3.31Å; C257-Q261 WeakPolarHBondContact O-CG 3.43Å; C257-Q261 PolarHBondContact O-N 3.35Å
258T88Confident86.8Confident80 Ų8067.5 Ų67.549%0.49139%0.391SS..Hα-helixtrans-63.7-44.7-178.8-50.50000111.4L254 A255 R256 Q261 S262L254-T258 WeakPolarHBondContact O-CB 3.47Å; L254-T258 PolarHBondContact O-N 3.38Å; L254-T258 PolarHBondContact O-OG1 3.31Å; A255-T258 PolarHBondContact O-N 3.46Å; R256-T258 VanDerWaalsContact C-N 3.32Å; R256-T258 PolarHBondContact O-N 3.28Å; T258-Q261 PolarHBondContact O-N 3.43Å; T258-S262 VanDerWaalsContact O-CB 3.28Å; T258-S262 WeakPolarHBondContact O-CB 3.31Å; T258-S262 PolarHBondContact O-N 3.41Å; T258-S262 PolarHBondContact O-OG 2.98Å
259I91.3Very high87.9Confident64 Ų6464.4 Ų64.433%0.32836%0.364SS..Hα-helixtrans-63-50.4178.4-68.8163.7000110.3A255 R256 Q261 S262 L263 L285A255-I259 WeakPolarHBondContact O-CB 3.47Å; A255-I259 WeakPolarHBondContact O-CD1 3.41Å; A255-I259 VanDerWaalsContact O-CG1 3.22Å; A255-I259 WeakPolarHBondContact O-CG1 3.29Å; A255-I259 PolarHBondContact O-N 2.92Å; R256-I259 PolarHBondContact O-N 3.38Å; I259-Q261 VanDerWaalsContact C-N 3.27Å; I259-Q261 PolarHBondContact O-N 3.26Å; I259-S262 PolarHBondContact O-N 3.39Å; I259-L263 HydrophobicContact CG2-CD1 4.41Å; I259-L263 HydrophobicContact CG2-CG 4.47Å; I259-L263 WeakPolarHBondContact O-CG 3.18Å; I259-L263 PolarHBondContact O-N 3.22Å; I259-L263 VanDerWaalsContact O-N 3.11Å; I259-L285 HydrophobicContact CB-CD2 3.98Å; I259-L285 HydrophobicContact CD1-CD2 3.92Å; I259-L285 HydrophobicContact CG2-CD1 4.1Å; I259-L285 HydrophobicContact CG2-CD2 3.83Å
260R91.8Very high88.5Confident26 Ų2665.9 Ų65.910%0.09837%0.372CS..Hα-helixtrans-56.3-41.3179.1-72.3173.865.784.42.3112.2L171 R256 C257 L268 L285L171-R260 PolarHBondContact O-NH2 2.99Å; R256-R260 HydrophobicContact CG-CG 4.43Å; R256-R260 WeakPolarHBondContact O-CB 3.49Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.32Å; R256-R260 PolarHBondContact O-N 3Å; C257-R260 PolarHBondContact O-N 3.39Å; R260-L268 HydrophobicContact CB-CD1 4.43Å; R260-L285 VanDerWaalsContact CD-O 3.32Å; R260-L285 WeakPolarHBondContact CD-O 3.41Å; R260-L285 PolarHBondContact NH1-O 2.92Å
261Q85.3Confident88.7Confident139 Ų13962.9 Ų62.965%0.6536%0.355SS*.Hα-helixtrans-70.7-31.8176.9-71.3173100113.2C257 T258 I259C257-Q261 WeakPolarHBondContact O-CB 3.38Å; C257-Q261 VanDerWaalsContact O-CG 3.31Å; C257-Q261 WeakPolarHBondContact O-CG 3.43Å; C257-Q261 PolarHBondContact O-N 3.35Å; T258-Q261 PolarHBondContact O-N 3.43Å; I259-Q261 VanDerWaalsContact C-N 3.27Å; I259-Q261 PolarHBondContact O-N 3.26Å
262S88.4Confident89Confident91 Ų9155.8 Ų55.864%0.63632%0.318SS*.Hα-helixtrans-83.5-18.8-174.3-57.50000113.8T258 I259 G264T258-S262 VanDerWaalsContact O-CB 3.28Å; T258-S262 WeakPolarHBondContact O-CB 3.31Å; T258-S262 PolarHBondContact O-N 3.41Å; T258-S262 PolarHBondContact O-OG 2.98Å; I259-S262 PolarHBondContact O-N 3.39Å; S262-G264 PolarHBondContact O-N 2.9Å
263L86.8Confident89.2Confident44 Ų4456.1 Ų56.123%0.2332%0.323CS..SBendtrans-63.3-29.2-178.8-75.2168.9000112.5I259 V265 L268 A271 V272I259-L263 HydrophobicContact CG2-CD1 4.41Å; I259-L263 HydrophobicContact CG2-CG 4.47Å; I259-L263 WeakPolarHBondContact O-CG 3.18Å; I259-L263 PolarHBondContact O-N 3.22Å; I259-L263 VanDerWaalsContact O-N 3.11Å; L263-V265 HydrophobicContact CB-CG2 4.14Å; L263-V265 WeakPolarHBondContact O-CG1 3.49Å; L263-V265 PolarHBondContact O-N 3.32Å; L263-L268 HydrophobicContact CB-CD2 4.04Å; L263-L268 HydrophobicContact CD1-CD2 3.77Å; L263-A271 HydrophobicContact CD1-CB 4.48Å; L263-A271 HydrophobicContact CD2-CB 4.38Å; L263-V272 HydrophobicContact CD1-CG2 3.84Å
264G79.4Confident89.4Confident77 Ų7762.6 Ų62.679%0.79435%0.353SS*.  trans6015.9173.600000115S262S262-G264 PolarHBondContact O-N 2.9Å
265V85.3Confident89.6Confident61 Ų6161 Ų6137%0.3734%0.344SS..  trans-94.2155179-63.90000111.2L263 F267 L268 A271L263-V265 HydrophobicContact CB-CG2 4.14Å; L263-V265 WeakPolarHBondContact O-CG1 3.49Å; L263-V265 PolarHBondContact O-N 3.32Å; V265-F267 WeakPolarHBondContact CG2-O 3.47Å; V265-L268 HydrophobicContact CG2-CD2 4Å; V265-A271 HydrophobicContact CB-CB 4.33Å; V265-A271 HydrophobicContact CG1-CB 3.92Å; V265-A271 HydrophobicContact CG2-CB 3.66Å
266Q86.5Confident89.8Confident111 Ų11165.2 Ų65.252%0.51937%0.368SS..SBendtrans-65.5-41174.6-175.5178.1800112L138 Y173L138-Q266 PolarHBondContact O-NE2 2.88Å; Y173-Q266 CarbonylContact C-O 3.44Å; Y173-Q266 VanDerWaalsContact CA-O 3.26Å; Y173-Q266 WeakPolarHBondContact CA-O 3.22Å; Y173-Q266 HydrophobicContact CD1-CG 4.15Å; Y173-Q266 VanDerWaalsContact CD1-O 3.24Å; Y173-Q266 WeakPolarHBondContact CD1-O 3.4Å; Y173-Q266 HydrophobicContact CE1-CG 4.37Å
267F93Very high89.9Confident53 Ų5367.8 Ų67.823%0.23238%0.382CS..  trans-127110.9-178.2-174.3-122.2000111.1D172 Y173 V265 P269 T270D172-F267 HydrophobicContact CB-CD2 4.3Å; D172-F267 HydrophobicContact CB-CE2 3.86Å; Y173-F267 HydrophobicContact CD1-CB 4.2Å; Y173-F267 HydrophobicContact CD1-CD2 4.04Å; Y173-F267 AromaticContact CD2-CD2 3.77Å; Y173-F267 HydrophobicContact CD2-CD2 3.77Å; Y173-F267 HydrophobicContact CD2-CE2 4.1Å; Y173-F267 HydrophobicContact CE1-CB 3.85Å; Y173-F267 AromaticContact CE1-CD2 3.72Å; Y173-F267 HydrophobicContact CE1-CD2 3.72Å; Y173-F267 HydrophobicContact CE1-CG 4.08Å; Y173-F267 AromaticContact CE2-CD2 3.45Å; Y173-F267 HydrophobicContact CE2-CD2 3.45Å; Y173-F267 VanDerWaalsContact CE2-CD2 3.45Å; Y173-F267 AromaticContact CE2-CE2 3.62Å; Y173-F267 HydrophobicContact CE2-CE2 3.62Å; Y173-F267 HydrophobicContact CE2-CG 4.47Å; Y173-F267 HydrophobicContact CG-CD2 4.05Å; Y173-F267 AromaticContact CZ-CD2 3.4Å; Y173-F267 AromaticContact CZ-CE2 3.9Å; V265-F267 WeakPolarHBondContact CG2-O 3.47Å; F267-P269 HydrophobicContact CD1-CB 4.28Å; F267-P269 HydrophobicContact CD1-CG 4.37Å; F267-P269 HydrophobicContact CD2-CG 4.2Å; F267-P269 HydrophobicContact CE1-CB 3.63Å; F267-P269 HydrophobicContact CE1-CG 3.8Å; F267-P269 HydrophobicContact CE2-CB 4.36Å; F267-P269 HydrophobicContact CE2-CG 3.6Å; F267-P269 HydrophobicContact CZ-CB 3.68Å; F267-P269 HydrophobicContact CZ-CG 3.37Å; F267-T270 WeakPolarHBondContact CD1-OG1 3.41Å
268L91.5Very high90.3Very high5 Ų570.8 Ų70.83%0.02640%0.401CS..Hα-helixtrans-63.9-41.8-173.8-65.8169.7000113.9L171 D172 R260 L263 V265 T270 A271 V272L171-L268 WeakPolarHBondContact O-CD1 3.3Å; D172-L268 WeakPolarHBondContact O-CB 3.47Å; D172-L268 WeakPolarHBondContact O-CG 3.47Å; D172-L268 PolarHBondContact O-N 3.25Å; R260-L268 HydrophobicContact CB-CD1 4.43Å; L263-L268 HydrophobicContact CB-CD2 4.04Å; L263-L268 HydrophobicContact CD1-CD2 3.77Å; V265-L268 HydrophobicContact CG2-CD2 4Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.44Å; L268-A271 PolarHBondContact O-N 3.1Å; L268-A271 VanDerWaalsContact O-N 3.13Å; L268-V272 WeakPolarHBondContact O-CG2 3.31Å; L268-V272 PolarHBondContact O-N 3.3Å
269P92.9Very high90.6Very high16 Ų1672.5 Ų72.510%0.10440%0.404CS..Hα-helixtrans-55.5-40.3-178.2-28.737.2000114.5D172 F267 K273 L286D172-P269 HydrophobicContact CB-CG 3.95Å; D172-P269 WeakPolarHBondContact OD2-CG 3.31Å; F267-P269 HydrophobicContact CD1-CB 4.28Å; F267-P269 HydrophobicContact CD1-CG 4.37Å; F267-P269 HydrophobicContact CD2-CG 4.2Å; F267-P269 HydrophobicContact CE1-CB 3.63Å; F267-P269 HydrophobicContact CE1-CG 3.8Å; F267-P269 HydrophobicContact CE2-CB 4.36Å; F267-P269 HydrophobicContact CE2-CG 3.6Å; F267-P269 HydrophobicContact CZ-CB 3.68Å; F267-P269 HydrophobicContact CZ-CG 3.37Å; P269-K273 WeakPolarHBondContact O-CB 3.48Å; P269-K273 PolarHBondContact O-N 2.77Å; P269-K273 VanDerWaalsContact O-N 3.08Å; P269-L286 HydrophobicContact CB-CD1 4.43Å; P269-L286 HydrophobicContact CB-CD2 4.2Å; P269-L286 HydrophobicContact CG-CD2 4.04Å
270T92Very high90.8Very high85 Ų8574.3 Ų74.352%0.52142%0.418SS..Hα-helixtrans-64.1-46.5177.1-59.80000111.2F267 L268 K273F267-T270 WeakPolarHBondContact CD1-OG1 3.41Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.44Å; T270-K273 PolarHBondContact O-N 3.28Å
271A90.9Very high90.8Very high20 Ų2075.4 Ų75.417%0.16543%0.427CS..Hα-helixtrans-66.6-40.9-179.800000112.7L263 V265 L268 K273 E274 L275L263-A271 HydrophobicContact CD1-CB 4.48Å; L263-A271 HydrophobicContact CD2-CB 4.38Å; V265-A271 HydrophobicContact CB-CB 4.33Å; V265-A271 HydrophobicContact CG1-CB 3.92Å; V265-A271 HydrophobicContact CG2-CB 3.66Å; L268-A271 PolarHBondContact O-N 3.1Å; L268-A271 VanDerWaalsContact O-N 3.13Å; A271-K273 VanDerWaalsContact C-N 3.3Å; A271-K273 PolarHBondContact O-N 2.99Å; A271-E274 PolarHBondContact O-N 3.17Å; A271-L275 PolarHBondContact O-N 2.94Å
272V92.4Very high91.3Very high1 Ų169.8 Ų69.81%0.00640%0.401CS..Hα-helixtrans-66-34.8179.6173.70000111.6L263 L268 E274 L275 K282 L285 L286L263-V272 HydrophobicContact CD1-CG2 3.84Å; L268-V272 WeakPolarHBondContact O-CG2 3.31Å; L268-V272 PolarHBondContact O-N 3.3Å; V272-E274 VanDerWaalsContact C-N 3.28Å; V272-E274 PolarHBondContact O-N 2.62Å; V272-L275 HydrophobicContact CG2-CD1 4.49Å; V272-L275 WeakPolarHBondContact O-CB 3.23Å; V272-L275 PolarHBondContact O-N 3.44Å; V272-K282 HydrophobicContact CG1-CB 3.72Å; V272-K282 HydrophobicContact CG1-CG 3.91Å; V272-L285 HydrophobicContact CG1-CB 4.1Å; V272-L285 HydrophobicContact CG1-CD1 4.25Å; V272-L285 HydrophobicContact CG2-CB 4.31Å; V272-L286 HydrophobicContact CB-CD1 4.49Å; V272-L286 HydrophobicContact CB-CD2 3.87Å; V272-L286 HydrophobicContact CB-CG 4.21Å; V272-L286 HydrophobicContact CG1-CD1 4.25Å; V272-L286 HydrophobicContact CG1-CD2 4.16Å; V272-L286 HydrophobicContact CG1-CG 3.95Å; V272-L286 HydrophobicContact CG2-CD2 3.8Å; V272-L286 HydrophobicContact CG2-CG 4.46Å
273K91.9Very high91.5Very high148 Ų14868.5 Ų68.564%0.64339%0.387SS*.Hα-helixtrans-60-38.8177.4-173.3178.3178.1-176.90112.4P269 T270 A271 L275 K282P269-K273 WeakPolarHBondContact O-CB 3.48Å; P269-K273 PolarHBondContact O-N 2.77Å; P269-K273 VanDerWaalsContact O-N 3.08Å; T270-K273 PolarHBondContact O-N 3.28Å; A271-K273 VanDerWaalsContact C-N 3.3Å; A271-K273 PolarHBondContact O-N 2.99Å; K273-L275 VanDerWaalsContact C-N 3.31Å; K273-L275 PolarHBondContact O-N 2.75Å; K273-K282 WeakPolarHBondContact O-CE 3.42Å; K273-K282 PolarHBondContact O-NZ 2.93Å
274E92.3Very high91.8Very high148 Ų14867.3 Ų67.369%0.69238%0.38SS*.Hα-helixtrans-78-11-179.7-60.7-56.2133.900113.6A271 V272A271-E274 PolarHBondContact O-N 3.17Å; V272-E274 VanDerWaalsContact C-N 3.28Å; V272-E274 PolarHBondContact O-N 2.62Å
275L91.9Very high92.4Very high44 Ų4463.9 Ų63.923%0.2334%0.343CS..SBendtrans-68.6139.1178-65.6175.6000111A271 V272 K273 L277 K282 L285A271-L275 PolarHBondContact O-N 2.94Å; V272-L275 HydrophobicContact CG2-CD1 4.49Å; V272-L275 WeakPolarHBondContact O-CB 3.23Å; V272-L275 PolarHBondContact O-N 3.44Å; K273-L275 VanDerWaalsContact C-N 3.31Å; K273-L275 PolarHBondContact O-N 2.75Å; L275-L277 HydrophobicContact CB-CD1 3.97Å; L275-L277 HydrophobicContact CB-CG 4.04Å; L275-L277 HydrophobicContact CD1-CD1 3.88Å; L275-L277 PolarHBondContact O-N 3.49Å; L275-K282 WeakPolarHBondContact O-CE 3.4Å; L275-K282 PolarHBondContact O-NZ 3.34Å; L275-L285 HydrophobicContact CD1-CD1 4.13Å
276P94.7Very high92.8Very high130 Ų13061.6 Ų61.684%0.84433%0.329SS*.SBendtrans-77.657176.534.3-36.9000111.3
277L94.5Very high93.1Very high65 Ų6557 Ų5734%0.3431%0.307SS..SBendtrans-118.7154.9-178.8-63.4174.5000110.4L275 V281 K282 L285L275-L277 HydrophobicContact CB-CD1 3.97Å; L275-L277 HydrophobicContact CB-CG 4.04Å; L275-L277 HydrophobicContact CD1-CD1 3.88Å; L275-L277 PolarHBondContact O-N 3.49Å; L277-V281 HydrophobicContact CB-CB 4.39Å; L277-V281 HydrophobicContact CB-CG1 4.45Å; L277-V281 HydrophobicContact CD1-CG1 4.11Å; L277-K282 HydrophobicContact CB-CG 4.3Å; L277-K282 WeakPolarHBondContact O-CE 3.3Å; L277-L285 HydrophobicContact CD1-CD1 3.82Å
278P96Very high92.8Very high78 Ų7861.1 Ų61.151%0.50632%0.321SS..  trans-59.8148170.4-20.932.5000111.8T280 V281 K282P278-T280 PolarHBondContact O-N 3.08Å; P278-V281 HydrophobicContact CB-CG2 4.34Å; P278-V281 HydrophobicContact CG-CG2 4.28Å; P278-V281 WeakPolarHBondContact O-CA 3.39Å; P278-V281 WeakPolarHBondContact O-CB 3.31Å; P278-V281 PolarHBondContact O-N 3.49Å; P278-K282 PolarHBondContact O-N 3.25Å
279E93.9Very high92.1Very high116 Ų11666.3 Ų66.354%0.54235%0.349SS..Hα-helixtrans-56-38-179.8-65-55.1130.300112.5V281 K282 D283E279-V281 PolarHBondContact O-N 3.06Å; E279-K282 CarbonylContact O-C 3.51Å; E279-K282 WeakPolarHBondContact O-CA 3.33Å; E279-K282 WeakPolarHBondContact O-CB 3.41Å; E279-K282 PolarHBondContact O-N 2.94Å; E279-K282 IonicContact OE1-NZ 2.81Å; E279-K282 PolarHBondContact OE1-NZ 2.99Å; E279-D283 PolarHBondContact O-N 3.45Å
280T94.6Very high92.1Very high102 Ų10268.8 Ų68.863%0.62636%0.361SS*.Hα-helixtrans-61.4-29.8175.856.40000113.9P278 Y284P278-T280 PolarHBondContact O-N 3.08Å; T280-Y284 WeakPolarHBondContact O-CB 3.23Å; T280-Y284 PolarHBondContact O-N 3.1Å
281V93.4Very high92.1Very high49 Ų4967.9 Ų67.930%0.29735%0.353SS..Hα-helixtrans-80.8-35.2174.8-178.20000110.1L277 P278 E279 Y284 L285L277-V281 HydrophobicContact CB-CB 4.39Å; L277-V281 HydrophobicContact CB-CG1 4.45Å; L277-V281 HydrophobicContact CD1-CG1 4.11Å; P278-V281 HydrophobicContact CB-CG2 4.34Å; P278-V281 HydrophobicContact CG-CG2 4.28Å; P278-V281 WeakPolarHBondContact O-CA 3.39Å; P278-V281 WeakPolarHBondContact O-CB 3.31Å; P278-V281 PolarHBondContact O-N 3.49Å; E279-V281 PolarHBondContact O-N 3.06Å; V281-Y284 WeakPolarHBondContact O-CB 3.46Å; V281-Y284 PolarHBondContact O-N 3.34Å; V281-L285 VanDerWaalsContact O-CG 3.32Å; V281-L285 WeakPolarHBondContact O-CG 3.39Å; V281-L285 PolarHBondContact O-N 3.48Å
282K94.3Very high92.2Very high21 Ų2170.6 Ų70.69%0.09136%0.363CS..Hα-helixtrans-62.8-48.3173.8-66.7-179.4-176.5169.70111.2V272 K273 L275 L277 P278 E279 Y284 L285 L286V272-K282 HydrophobicContact CG1-CB 3.72Å; V272-K282 HydrophobicContact CG1-CG 3.91Å; K273-K282 WeakPolarHBondContact O-CE 3.42Å; K273-K282 PolarHBondContact O-NZ 2.93Å; L275-K282 WeakPolarHBondContact O-CE 3.4Å; L275-K282 PolarHBondContact O-NZ 3.34Å; L277-K282 HydrophobicContact CB-CG 4.3Å; L277-K282 WeakPolarHBondContact O-CE 3.3Å; P278-K282 PolarHBondContact O-N 3.25Å; E279-K282 CarbonylContact O-C 3.51Å; E279-K282 WeakPolarHBondContact O-CA 3.33Å; E279-K282 WeakPolarHBondContact O-CB 3.41Å; E279-K282 PolarHBondContact O-N 2.94Å; E279-K282 IonicContact OE1-NZ 2.81Å; E279-K282 PolarHBondContact OE1-NZ 2.99Å; K282-Y284 VanDerWaalsContact C-N 3.28Å; K282-Y284 PolarHBondContact O-N 3.48Å; K282-L285 WeakPolarHBondContact O-CB 3.39Å; K282-L285 PolarHBondContact O-N 3.49Å; K282-L286 WeakPolarHBondContact O-CG 3.28Å; K282-L286 PolarHBondContact O-N 3.08Å
283D93.3Very high92.2Very high64 Ų6474.7 Ų74.734%0.34238%0.384SS..Hα-helixtrans-58.9-42.4176.3-69.9-29000111.4E279 L285 L286 L287 R288E279-D283 PolarHBondContact O-N 3.45Å; D283-L285 PolarHBondContact O-N 2.76Å; D283-L286 CarbonylContact O-C 3.59Å; D283-L286 PolarHBondContact O-N 3.45Å; D283-L286 VanDerWaalsContact O-N 3.08Å; D283-L287 PolarHBondContact O-N 2.92Å; D283-R288 HydrophobicContact CB-CB 4.27Å; D283-R288 PolarHBondContact O-N 3.4Å
284Y92.5Very high92.2Very high20 Ų2070.1 Ų70.18%0.07837%0.368CS..Hα-helixtrans-59.5-42.6173.8-177.2-102.2000112.9R252 S253 R256 T280 V281 K282 L286 L287 D289R252-Y284 HydrophobicContact CG-CD1 4.36Å; R252-Y284 HydrophobicContact CG-CE1 3.54Å; R252-Y284 HydrophobicContact CG-CE2 4.4Å; R252-Y284 PolarHBondContact O-OH 2.74Å; S253-Y284 WeakPolarHBondContact CA-OH 3.3Å; S253-Y284 PolarHBondContact N-OH 3.31Å; R256-Y284 HydrophobicContact CB-CD1 4.29Å; R256-Y284 HydrophobicContact CB-CE1 3.63Å; R256-Y284 WeakPolarHBondContact CD-O 3.32Å; R256-Y284 HydrophobicContact CG-CE1 4.28Å; R256-Y284 VanDerWaalsContact NH1-CE2 3.32Å; T280-Y284 WeakPolarHBondContact O-CB 3.23Å; T280-Y284 PolarHBondContact O-N 3.1Å; V281-Y284 WeakPolarHBondContact O-CB 3.46Å; V281-Y284 PolarHBondContact O-N 3.34Å; K282-Y284 VanDerWaalsContact C-N 3.28Å; K282-Y284 PolarHBondContact O-N 3.48Å; Y284-L286 VanDerWaalsContact C-N 3.27Å; Y284-L286 PolarHBondContact O-N 3.13Å; Y284-L287 PolarHBondContact O-N 3Å; Y284-D289 HydrophobicContact CD2-CB 4.09Å; Y284-D289 WeakPolarHBondContact CD2-OD2 3.43Å; Y284-D289 VanDerWaalsContact CE2-OD2 3.28Å; Y284-D289 WeakPolarHBondContact CE2-OD2 3.41Å
285L92.8Very high92.2Very high4 Ų464.9 Ų64.92%0.02135%0.347CS..Hα-helixtrans-66.9-29.3175.6-71.4175.4000112.3R256 I259 R260 V272 L275 L277 V281 K282 D283 L287R256-L285 HydrophobicContact CB-CD2 4.34Å; R256-L285 HydrophobicContact CG-CD2 4.32Å; I259-L285 HydrophobicContact CB-CD2 3.98Å; I259-L285 HydrophobicContact CD1-CD2 3.92Å; I259-L285 HydrophobicContact CG2-CD1 4.1Å; I259-L285 HydrophobicContact CG2-CD2 3.83Å; R260-L285 VanDerWaalsContact CD-O 3.32Å; R260-L285 WeakPolarHBondContact CD-O 3.41Å; R260-L285 PolarHBondContact NH1-O 2.92Å; V272-L285 HydrophobicContact CG1-CB 4.1Å; V272-L285 HydrophobicContact CG1-CD1 4.25Å; V272-L285 HydrophobicContact CG2-CB 4.31Å; L275-L285 HydrophobicContact CD1-CD1 4.13Å; L277-L285 HydrophobicContact CD1-CD1 3.82Å; V281-L285 VanDerWaalsContact O-CG 3.32Å; V281-L285 WeakPolarHBondContact O-CG 3.39Å; V281-L285 PolarHBondContact O-N 3.48Å; K282-L285 WeakPolarHBondContact O-CB 3.39Å; K282-L285 PolarHBondContact O-N 3.49Å; D283-L285 PolarHBondContact O-N 2.76Å; L285-L287 VanDerWaalsContact C-N 3.35Å
286L92.9Very high92.2Very high14 Ų1466.4 Ų66.47%0.07336%0.355CS..THydrogen-bonded Turntrans-88.32.9178-62.8179.2000114.2P269 V272 K282 D283 Y284 R288P269-L286 HydrophobicContact CB-CD1 4.43Å; P269-L286 HydrophobicContact CB-CD2 4.2Å; P269-L286 HydrophobicContact CG-CD2 4.04Å; V272-L286 HydrophobicContact CB-CD1 4.49Å; V272-L286 HydrophobicContact CB-CD2 3.87Å; V272-L286 HydrophobicContact CB-CG 4.21Å; V272-L286 HydrophobicContact CG1-CD1 4.25Å; V272-L286 HydrophobicContact CG1-CD2 4.16Å; V272-L286 HydrophobicContact CG1-CG 3.95Å; V272-L286 HydrophobicContact CG2-CD2 3.8Å; V272-L286 HydrophobicContact CG2-CG 4.46Å; K282-L286 WeakPolarHBondContact O-CG 3.28Å; K282-L286 PolarHBondContact O-N 3.08Å; D283-L286 CarbonylContact O-C 3.59Å; D283-L286 PolarHBondContact O-N 3.45Å; D283-L286 VanDerWaalsContact O-N 3.08Å; Y284-L286 VanDerWaalsContact C-N 3.27Å; Y284-L286 PolarHBondContact O-N 3.13Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 HydrophobicContact CB-CG 3.97Å; L286-R288 PolarHBondContact O-N 3.49Å
287L92.4Very high92Very high13 Ų1361.5 Ų61.57%0.06832%0.317CS..THydrogen-bonded Turntrans62.633-178.1-49.5168.3000112.9L171 L210 R213 A214 D283 Y284 L285L171-L287 HydrophobicContact CD1-CD1 4.02Å; L210-L287 HydrophobicContact CD1-CB 3.83Å; L210-L287 HydrophobicContact CD1-CD1 4.04Å; R213-L287 HydrophobicContact CB-CD2 4.12Å; A214-L287 HydrophobicContact CB-CD1 3.7Å; D283-L287 PolarHBondContact O-N 2.92Å; Y284-L287 PolarHBondContact O-N 3Å; L285-L287 VanDerWaalsContact C-N 3.35Å
288R87.9Confident91.8Very high140 Ų14061.3 Ų61.353%0.52832%0.315SS..  trans-108.110.1-179.1-59175.9-173.2-179.7-1112.8D172 D283 L286D172-R288 IonicContact OD2-NH2 3.54Å; D283-R288 HydrophobicContact CB-CB 4.27Å; D283-R288 PolarHBondContact O-N 3.4Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 HydrophobicContact CB-CG 3.97Å; L286-R288 PolarHBondContact O-N 3.49Å
289D77.2Confident91.4Very high114 Ų11459.7 Ų59.761%0.6130%0.298SS*.  trans-81.90178.862.1-59.5000114R213 R256 Y284R213-D289 PolarHBondContact NH1-O 2.93Å; R213-D289 VanDerWaalsContact NH1-O 3.15Å; R256-D289 IonicContact NH1-OD1 3.45Å; R256-D289 PolarHBondContact NH1-OD1 3.28Å; R256-D289 IonicContact NH1-OD2 3.76Å; Y284-D289 HydrophobicContact CD2-CB 4.09Å; Y284-D289 WeakPolarHBondContact CD2-OD2 3.43Å; Y284-D289 VanDerWaalsContact CE2-OD2 3.28Å; Y284-D289 WeakPolarHBondContact CE2-OD2 3.41Å

Retrieved 289 of 289 residues in 183.4 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).