A0A096LRN5_POEFO Loading...

Ceramide synthase 3

AlphaFold DB , UniProt , Accession A0A096LRN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.4Low75.7Confident178 Ų178129.6 Ų129.688%0.87761%0.61SS**  0-64.30-143.4167.181.700110.1R3 K4 E5M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.14Å; M1-R3 VanDerWaalsContact O-N 3.16Å; M1-K4 WeakPolarHBondContact O-CB 3.5Å; M1-K4 PolarHBondContact O-N 3.06Å; M1-E5 PolarHBondContact O-N 3.35Å; M1-E5 VanDerWaalsContact O-N 3.17Å
2I69.6Low76.1Confident136 Ų136130.2 Ų130.270%0.69761%0.612SS**Hα-helixtrans-50.2-42.9-179.7-59.5167000114.6K4 E5 M6I2-K4 VanDerWaalsContact C-N 3.33Å; I2-K4 PolarHBondContact O-N 3.07Å; I2-E5 PolarHBondContact O-N 2.98Å; I2-M6 WeakPolarHBondContact O-CB 3.23Å; I2-M6 PolarHBondContact O-N 3.02Å
3R72.9Confident76.4Confident196 Ų196132.4 Ų132.474%0.7461%0.611SS**Hα-helixtrans-65.6-32.9177.7-172.3177.664.9-156-1.5113.2M1 L7M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.14Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-L7 HydrophobicContact CG-CD1 4.24Å; R3-L7 WeakPolarHBondContact O-CB 3.23Å; R3-L7 WeakPolarHBondContact O-CD1 3.29Å; R3-L7 WeakPolarHBondContact O-CG 3.25Å; R3-L7 PolarHBondContact O-N 3.33Å
4K74.8Confident76.6Confident154 Ų154130.2 Ų130.267%0.6760%0.599SS**Hα-helixtrans-74.2-45.3177.6-74.3-171174.3-172.70110.4M1 I2 M6 L7 E8M1-K4 WeakPolarHBondContact O-CB 3.5Å; M1-K4 PolarHBondContact O-N 3.06Å; I2-K4 VanDerWaalsContact C-N 3.33Å; I2-K4 PolarHBondContact O-N 3.07Å; K4-M6 PolarHBondContact O-N 3.02Å; K4-L7 PolarHBondContact O-N 3.46Å; K4-E8 WeakPolarHBondContact O-CG 3.5Å; K4-E8 PolarHBondContact O-N 3.34Å
5E77.4Confident76.6Confident95 Ų95125.4 Ų125.444%0.44457%0.574SS.*Hα-helixtrans-60.6-44.8176.1-70.6167.3172.700111.7M1 I2 L7 E8 T9M1-E5 PolarHBondContact O-N 3.35Å; M1-E5 VanDerWaalsContact O-N 3.17Å; I2-E5 PolarHBondContact O-N 2.98Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.04Å; E5-E8 PolarHBondContact O-N 3.05Å; E5-T9 PolarHBondContact O-N 3.25Å; E5-T9 PolarHBondContact O-OG1 3Å
6M78.3Confident76.7Confident108 Ų108125.9 Ų125.953%0.53257%0.57SS.*Hα-helixtrans-62-39.9176.1-170.6-175.873.100112.1I2 K4 L10I2-M6 WeakPolarHBondContact O-CB 3.23Å; I2-M6 PolarHBondContact O-N 3.02Å; K4-M6 PolarHBondContact O-N 3.02Å; M6-L10 HydrophobicContact CG-CD1 4.32Å; M6-L10 WeakPolarHBondContact O-CB 3.36Å; M6-L10 WeakPolarHBondContact O-CG 3.48Å; M6-L10 PolarHBondContact O-N 3.12Å
7L79.4Confident76.8Confident101 Ų101121.4 Ų121.453%0.52955%0.551SS.*Hα-helixtrans-67.3-37.7175.6-74.3169.3000112.1R3 K4 E5 Y11R3-L7 HydrophobicContact CG-CD1 4.24Å; R3-L7 WeakPolarHBondContact O-CB 3.23Å; R3-L7 WeakPolarHBondContact O-CD1 3.29Å; R3-L7 WeakPolarHBondContact O-CG 3.25Å; R3-L7 PolarHBondContact O-N 3.33Å; K4-L7 PolarHBondContact O-N 3.46Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.04Å; L7-Y11 VanDerWaalsContact O-CB 3.26Å; L7-Y11 WeakPolarHBondContact O-CB 3.37Å; L7-Y11 PolarHBondContact O-N 2.79Å
8E78.8Confident76.6Confident119 Ų119122.8 Ų122.856%0.55656%0.557SS**Hα-helixtrans-67.9-42.9175.6-76.8-179.7-171.900111.9K4 E5 L10 Y11 Q12K4-E8 WeakPolarHBondContact O-CG 3.5Å; K4-E8 PolarHBondContact O-N 3.34Å; E5-E8 PolarHBondContact O-N 3.05Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.97Å; E8-Y11 WeakPolarHBondContact O-CB 3.45Å; E8-Y11 PolarHBondContact O-N 3.32Å; E8-Q12 WeakPolarHBondContact O-CG 3.43Å; E8-Q12 PolarHBondContact O-N 3.36Å
9T79.2Confident76.7Confident92 Ų92118.4 Ų118.456%0.56454%0.538SS*.Hα-helixtrans-62.5-42.7174.7-53.90000111.2E5 Y11 Q12 W13E5-T9 PolarHBondContact O-N 3.25Å; E5-T9 PolarHBondContact O-OG1 3Å; T9-Y11 VanDerWaalsContact C-N 3.33Å; T9-Q12 PolarHBondContact O-N 3.29Å; T9-W13 VanDerWaalsContact O-CB 3.28Å; T9-W13 WeakPolarHBondContact O-CB 3.27Å; T9-W13 PolarHBondContact O-N 3.22Å
10L78.2Confident76.9Confident97 Ų97113.7 Ų113.751%0.50852%0.516SS..Hα-helixtrans-64.3-38.4174.1-73.6170.9000111.8M6 E8 F14M6-L10 HydrophobicContact CG-CD1 4.32Å; M6-L10 WeakPolarHBondContact O-CB 3.36Å; M6-L10 WeakPolarHBondContact O-CG 3.48Å; M6-L10 PolarHBondContact O-N 3.12Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.97Å; L10-F14 WeakPolarHBondContact O-CB 3.18Å; L10-F14 PolarHBondContact O-N 2.85Å
11Y81.4Confident77Confident150 Ų150108.3 Ų108.359%0.58849%0.491SS*.Hα-helixtrans-65.4-45.9176.4177.7-92.4000111.7L7 E8 T9 F14 W15L7-Y11 VanDerWaalsContact O-CB 3.26Å; L7-Y11 WeakPolarHBondContact O-CB 3.37Å; L7-Y11 PolarHBondContact O-N 2.79Å; E8-Y11 WeakPolarHBondContact O-CB 3.45Å; E8-Y11 PolarHBondContact O-N 3.32Å; T9-Y11 VanDerWaalsContact C-N 3.33Å; Y11-F14 PolarHBondContact O-N 3.11Å; Y11-W15 AromaticContact CD2-CD1 3.58Å; Y11-W15 AromaticContact CD2-NE1 3.82Å; Y11-W15 AromaticContact CE1-CD1 3.9Å; Y11-W15 AromaticContact CE2-CD1 3.27Å; Y11-W15 HydrophobicContact CE2-CG 4.43Å; Y11-W15 AromaticContact CE2-NE1 3.27Å; Y11-W15 VanDerWaalsContact CE2-NE1 3.27Å; Y11-W15 AromaticContact CZ-CD1 3.44Å; Y11-W15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-W15 AromaticContact CZ-NE1 3.73Å; Y11-W15 WeakPolarHBondContact O-CB 3.35Å; Y11-W15 PolarHBondContact O-N 3.33Å
12Q80.6Confident77.8Confident136 Ų13699.8 Ų99.864%0.63645%0.449SS*.Hα-helixtrans-64.7-41.4177.1-72.9179.6-0.900111.9E8 T9 W15 W16E8-Q12 WeakPolarHBondContact O-CG 3.43Å; E8-Q12 PolarHBondContact O-N 3.36Å; T9-Q12 PolarHBondContact O-N 3.29Å; Q12-W15 CarbonylContact O-C 3.55Å; Q12-W15 PolarHBondContact O-N 3.05Å; Q12-W16 PolarHBondContact O-N 2.65Å; Q12-W16 VanDerWaalsContact O-N 3.11Å
13W80.7Confident77.6Confident159 Ų15997.3 Ų97.360%0.60245%0.449SS*.Hα-helixtrans-65.7-42.8175.1-175.582.8000111.5T9 W15 W16T9-W13 VanDerWaalsContact O-CB 3.28Å; T9-W13 WeakPolarHBondContact O-CB 3.27Å; T9-W13 PolarHBondContact O-N 3.22Å; W13-W15 VanDerWaalsContact C-N 3.34Å; W13-W15 PolarHBondContact O-N 2.98Å; W13-W16 VanDerWaalsContact O-CB 3.26Å; W13-W16 WeakPolarHBondContact O-CB 3.46Å; W13-W16 PolarHBondContact O-N 2.65Å
14F78.4Confident77.6Confident102 Ų10296.5 Ų96.545%0.44745%0.453SS..Hα-helixtrans-65.3-35.5176.1-178.2-92.1000111.9L10 Y11 W16 W20L10-F14 WeakPolarHBondContact O-CB 3.18Å; L10-F14 PolarHBondContact O-N 2.85Å; Y11-F14 PolarHBondContact O-N 3.11Å; F14-W16 VanDerWaalsContact C-N 3.31Å; F14-W20 HydrophobicContact CD2-CZ2 4.34Å; F14-W20 HydrophobicContact CE2-CH2 4.5Å; F14-W20 AromaticContact CE2-CZ2 3.89Å; F14-W20 HydrophobicContact CE2-CZ2 3.89Å; F14-W20 HydrophobicContact CZ-CZ2 4.06Å; F14-W20 PolarHBondContact O-NE1 3.4Å
15W76.9Confident77.6Confident58 Ų5890.3 Ų90.322%0.2243%0.428CS..THydrogen-bonded Turntrans-93.217.5177.1-75102.5000113.5Y11 Q12 W13 D17 W27 A41 C230Y11-W15 AromaticContact CD2-CD1 3.58Å; Y11-W15 AromaticContact CD2-NE1 3.82Å; Y11-W15 AromaticContact CE1-CD1 3.9Å; Y11-W15 AromaticContact CE2-CD1 3.27Å; Y11-W15 HydrophobicContact CE2-CG 4.43Å; Y11-W15 AromaticContact CE2-NE1 3.27Å; Y11-W15 VanDerWaalsContact CE2-NE1 3.27Å; Y11-W15 AromaticContact CZ-CD1 3.44Å; Y11-W15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-W15 AromaticContact CZ-NE1 3.73Å; Y11-W15 WeakPolarHBondContact O-CB 3.35Å; Y11-W15 PolarHBondContact O-N 3.33Å; Q12-W15 CarbonylContact O-C 3.55Å; Q12-W15 PolarHBondContact O-N 3.05Å; W13-W15 VanDerWaalsContact C-N 3.34Å; W13-W15 PolarHBondContact O-N 2.98Å; W15-D17 PolarHBondContact O-N 2.97Å; W15-D17 VanDerWaalsContact O-N 3.13Å; W15-W27 HydrophobicContact CE3-CD2 4.42Å; W15-W27 AromaticContact CE3-CE2 3.69Å; W15-W27 HydrophobicContact CE3-CH2 4.33Å; W15-W27 AromaticContact CE3-CZ2 3.63Å; W15-W27 HydrophobicContact CE3-CZ2 3.63Å; W15-W27 AromaticContact CE3-NE1 3.86Å; W15-W27 AromaticContact CZ3-CH2 3.91Å; W15-W27 HydrophobicContact CZ3-CH2 3.91Å; W15-W27 AromaticContact CZ3-CZ2 3.67Å; W15-W27 HydrophobicContact CZ3-CZ2 3.67Å; W15-W27 HydrophobicContact CZ3-CZ3 4.47Å; W15-W27 PolarHBondContact O-NE1 3.42Å; W15-A41 HydrophobicContact CH2-CB 4.05Å; W15-A41 HydrophobicContact CZ2-CB 4.3Å; W15-C230 HydrophobicContact CH2-CB 4.27Å
16W77.8Confident77.8Confident134 Ų13487.3 Ų87.351%0.50842%0.417SS..  trans-64.7117.2-178.2-170.329000111.8Q12 W13 F14 K18 L19Q12-W16 PolarHBondContact O-N 2.65Å; Q12-W16 VanDerWaalsContact O-N 3.11Å; W13-W16 VanDerWaalsContact O-CB 3.26Å; W13-W16 WeakPolarHBondContact O-CB 3.46Å; W13-W16 PolarHBondContact O-N 2.65Å; F14-W16 VanDerWaalsContact C-N 3.31Å; W16-K18 VanDerWaalsContact C-N 3.27Å; W16-K18 HydrophobicContact CZ2-CD 4.17Å; W16-K18 PolarHBondContact O-N 3.28Å; W16-K18 VanDerWaalsContact O-N 3.15Å; W16-L19 VanDerWaalsContact O-CB 3.29Å; W16-L19 WeakPolarHBondContact O-CB 3.44Å; W16-L19 PolarHBondContact O-N 3.49Å
17D78.8Confident77.8Confident48 Ų4884.8 Ų84.826%0.25740%0.402SS..Hα-helixtrans-53.2-42.4-169.4-54.716.9000112.4W15 L19 W20 L21 S26 W27W15-D17 PolarHBondContact O-N 2.97Å; W15-D17 VanDerWaalsContact O-N 3.13Å; D17-L19 PolarHBondContact O-N 2.88Å; D17-L19 VanDerWaalsContact O-N 3.12Å; D17-W20 PolarHBondContact O-N 3.42Å; D17-W20 VanDerWaalsContact O-N 3.12Å; D17-L21 WeakPolarHBondContact O-CB 3.42Å; D17-L21 PolarHBondContact O-N 2.89Å; D17-S26 WeakPolarHBondContact OD2-CA 3.49Å; D17-S26 WeakPolarHBondContact OD2-CB 3.16Å; D17-W27 PolarHBondContact OD1-NE1 3.45Å; D17-W27 PolarHBondContact OD2-N 3.1Å
18K73.9Confident77.7Confident148 Ų14882.3 Ų82.364%0.64340%0.395SS*.Hα-helixtrans-62.7-20.6-179.6-68.2-169.3177-173.90114.4W16W16-K18 VanDerWaalsContact C-N 3.27Å; W16-K18 HydrophobicContact CZ2-CD 4.17Å; W16-K18 PolarHBondContact O-N 3.28Å; W16-K18 VanDerWaalsContact O-N 3.15Å
19L78.2Confident77.7Confident38 Ų3880 Ų8020%0.19939%0.387CS..Hα-helixtrans-79.5-40.5177.8-154.6103.5000110.3W16 D17 F305 G306W16-L19 VanDerWaalsContact O-CB 3.29Å; W16-L19 WeakPolarHBondContact O-CB 3.44Å; W16-L19 PolarHBondContact O-N 3.49Å; D17-L19 PolarHBondContact O-N 2.88Å; D17-L19 VanDerWaalsContact O-N 3.12Å; L19-F305 HydrophobicContact CD2-CD1 3.41Å; L19-F305 VanDerWaalsContact CD2-CD1 3.41Å; L19-F305 HydrophobicContact CD2-CE1 3.6Å; L19-F305 HydrophobicContact CD2-CG 4.17Å; L19-F305 HydrophobicContact CD2-CZ 4.48Å; L19-F305 HydrophobicContact CG-CB 4.07Å; L19-F305 HydrophobicContact CG-CD1 3.62Å; L19-F305 HydrophobicContact CG-CE1 4.29Å; L19-F305 HydrophobicContact CG-CG 3.94Å; L19-F305 VanDerWaalsContact O-CB 3.23Å; L19-F305 WeakPolarHBondContact O-CB 3.4Å; L19-F305 PolarHBondContact O-N 3.49Å; L19-G306 PolarHBondContact O-N 3.2Å
20W79.9Confident77.6Confident25 Ų2576.3 Ų76.310%0.09536%0.364CS..Hα-helixtrans-108.9-19.8-166.6-56.4108.5000114.6F14 D17 W27 F227 Y304 F305 F309F14-W20 HydrophobicContact CD2-CZ2 4.34Å; F14-W20 HydrophobicContact CE2-CH2 4.5Å; F14-W20 AromaticContact CE2-CZ2 3.89Å; F14-W20 HydrophobicContact CE2-CZ2 3.89Å; F14-W20 HydrophobicContact CZ-CZ2 4.06Å; F14-W20 PolarHBondContact O-NE1 3.4Å; D17-W20 PolarHBondContact O-N 3.42Å; D17-W20 VanDerWaalsContact O-N 3.12Å; W20-W27 HydrophobicContact CB-CH2 4.17Å; W20-W27 HydrophobicContact CB-CZ2 3.67Å; W20-W27 HydrophobicContact CG-CZ2 4.21Å; W20-F227 HydrophobicContact CD2-CE2 4.4Å; W20-F227 HydrophobicContact CE3-CD2 4.3Å; W20-F227 AromaticContact CE3-CE2 3.37Å; W20-F227 HydrophobicContact CE3-CE2 3.37Å; W20-F227 HydrophobicContact CE3-CZ 4.11Å; W20-F227 HydrophobicContact CZ3-CD2 4.03Å; W20-F227 AromaticContact CZ3-CE2 3.46Å; W20-F227 HydrophobicContact CZ3-CE2 3.46Å; W20-F227 VanDerWaalsContact CZ3-CE2 3.46Å; W20-F227 HydrophobicContact CZ3-CZ 4.35Å; W20-Y304 WeakPolarHBondContact O-CD2 3.45Å; W20-Y304 WeakPolarHBondContact O-CE2 3.44Å; W20-F305 HydrophobicContact CD2-CD1 4.49Å; W20-F305 AromaticContact CE3-CD1 3.9Å; W20-F305 HydrophobicContact CE3-CD1 3.9Å; W20-F305 HydrophobicContact CE3-CE1 4.02Å; W20-F305 HydrophobicContact CH2-CD1 4.25Å; W20-F305 AromaticContact CH2-CE1 3.55Å; W20-F305 HydrophobicContact CH2-CE1 3.55Å; W20-F305 HydrophobicContact CZ2-CE1 4.19Å; W20-F305 AromaticContact CZ3-CD1 3.79Å; W20-F305 HydrophobicContact CZ3-CD1 3.79Å; W20-F305 AromaticContact CZ3-CE1 3.42Å; W20-F305 HydrophobicContact CZ3-CE1 3.42Å; W20-F305 VanDerWaalsContact CZ3-CE1 3.42Å; W20-F309 HydrophobicContact CZ3-CD1 4.24Å; W20-F309 HydrophobicContact CZ3-CG 4.32Å
21L79.5Confident77.8Confident0 Ų076.6 Ų76.60%036%0.363CS..SBendtrans-119.3158.8-178.2-61.5175.8000111D17 L25 W27 L30D17-L21 WeakPolarHBondContact O-CB 3.42Å; D17-L21 PolarHBondContact O-N 2.89Å; L21-L25 HydrophobicContact CB-CB 4.47Å; L21-L25 HydrophobicContact CD1-CD2 4.37Å; L21-W27 HydrophobicContact CD1-CD2 3.77Å; L21-W27 HydrophobicContact CD1-CE3 3.88Å; L21-W27 HydrophobicContact CD1-CG 4.18Å; L21-W27 HydrophobicContact CD1-CH2 4.49Å; L21-W27 HydrophobicContact CD1-CZ2 4.42Å; L21-W27 HydrophobicContact CD1-CZ3 4.23Å; L21-W27 HydrophobicContact CD2-CE3 4.44Å; L21-W27 HydrophobicContact CD2-CH2 4.09Å; L21-W27 HydrophobicContact CD2-CZ3 3.99Å; L21-W27 HydrophobicContact CG-CD2 4.45Å; L21-W27 HydrophobicContact CG-CE3 4.44Å; L21-W27 HydrophobicContact CG-CH2 4.21Å; L21-W27 HydrophobicContact CG-CZ2 4.24Å; L21-W27 HydrophobicContact CG-CZ3 4.31Å; L21-L30 HydrophobicContact CD1-CD1 4.22Å; L21-L30 HydrophobicContact CD2-CD1 3.84Å
22P79.4Confident77.9Confident0 Ų072.7 Ų72.70%035%0.352CS..  trans-56.4151.2169.6-23.333.8000112.4E24 L25 Y175 Y301 Y304P22-E24 PolarHBondContact O-N 3.27Å; P22-L25 PolarHBondContact O-N 3.28Å; P22-Y175 HydrophobicContact CG-CE1 4.41Å; P22-Y301 HydrophobicContact CB-CD1 3.52Å; P22-Y301 HydrophobicContact CB-CE1 4.18Å; P22-Y301 HydrophobicContact CB-CG 3.83Å; P22-Y301 HydrophobicContact CG-CD1 3.87Å; P22-Y301 HydrophobicContact CG-CD2 4.21Å; P22-Y301 HydrophobicContact CG-CE1 4.37Å; P22-Y301 HydrophobicContact CG-CG 3.78Å; P22-Y304 HydrophobicContact CG-CD1 4.28Å; P22-Y304 HydrophobicContact CG-CE1 3.85Å
23A65.8Low77.9Confident83 Ų8371.1 Ų71.169%0.68634%0.343SS*.THydrogen-bonded Turntrans-59.1-16.1-168.700000116.3
24E71.9Confident77.7Confident179 Ų17971.2 Ų71.284%0.83636%0.355SS*.THydrogen-bonded Turntrans-991-179-62179.4-178.900113.4P22P22-E24 PolarHBondContact O-N 3.27Å
25L75.3Confident77.7Confident25 Ų2570.3 Ų70.313%0.13138%0.375CS..  trans-124147-170.7-138.6104.5000113L21 P22 D29 L30 P176L21-L25 HydrophobicContact CB-CB 4.47Å; L21-L25 HydrophobicContact CD1-CD2 4.37Å; P22-L25 PolarHBondContact O-N 3.28Å; L25-D29 HydrophobicContact CD2-CB 4.17Å; L25-D29 HydrophobicContact CG-CB 3.99Å; L25-L30 HydrophobicContact CD2-CD1 4.08Å; L25-L30 HydrophobicContact CD2-CD2 3.97Å; L25-L30 HydrophobicContact CD2-CG 3.84Å; L25-P176 HydrophobicContact CD1-CG 3.56Å; L25-P176 HydrophobicContact CD2-CB 4.13Å; L25-P176 HydrophobicContact CD2-CG 3.45Å; L25-P176 VanDerWaalsContact CD2-CG 3.45Å; L25-P176 HydrophobicContact CG-CG 4.06Å
26S80.9Confident77.9Confident31 Ų3173 Ų7322%0.21739%0.385CS..  trans-119.6162.6174.469.40000111.9D17 A28 D29D17-S26 WeakPolarHBondContact OD2-CA 3.49Å; D17-S26 WeakPolarHBondContact OD2-CB 3.16Å; S26-A28 PolarHBondContact O-N 3.43Å; S26-A28 PolarHBondContact OG-N 2.9Å; S26-D29 PolarHBondContact N-OD2 2.69Å; S26-D29 WeakPolarHBondContact O-CB 3.27Å; S26-D29 PolarHBondContact O-N 3.21Å; S26-D29 PolarHBondContact OG-OD2 3.23Å
27W79.3Confident78.3Confident56 Ų5669.5 Ų69.521%0.21238%0.378CS..G310 helixtrans-61-26.1172.7-65.3115.1000112.6W15 D17 W20 L21 D29 L30 C230W15-W27 HydrophobicContact CE3-CD2 4.42Å; W15-W27 AromaticContact CE3-CE2 3.69Å; W15-W27 HydrophobicContact CE3-CH2 4.33Å; W15-W27 AromaticContact CE3-CZ2 3.63Å; W15-W27 HydrophobicContact CE3-CZ2 3.63Å; W15-W27 AromaticContact CE3-NE1 3.86Å; W15-W27 AromaticContact CZ3-CH2 3.91Å; W15-W27 HydrophobicContact CZ3-CH2 3.91Å; W15-W27 AromaticContact CZ3-CZ2 3.67Å; W15-W27 HydrophobicContact CZ3-CZ2 3.67Å; W15-W27 HydrophobicContact CZ3-CZ3 4.47Å; W15-W27 PolarHBondContact O-NE1 3.42Å; D17-W27 PolarHBondContact OD1-NE1 3.45Å; D17-W27 PolarHBondContact OD2-N 3.1Å; W20-W27 HydrophobicContact CB-CH2 4.17Å; W20-W27 HydrophobicContact CB-CZ2 3.67Å; W20-W27 HydrophobicContact CG-CZ2 4.21Å; L21-W27 HydrophobicContact CD1-CD2 3.77Å; L21-W27 HydrophobicContact CD1-CE3 3.88Å; L21-W27 HydrophobicContact CD1-CG 4.18Å; L21-W27 HydrophobicContact CD1-CH2 4.49Å; L21-W27 HydrophobicContact CD1-CZ2 4.42Å; L21-W27 HydrophobicContact CD1-CZ3 4.23Å; L21-W27 HydrophobicContact CD2-CE3 4.44Å; L21-W27 HydrophobicContact CD2-CH2 4.09Å; L21-W27 HydrophobicContact CD2-CZ3 3.99Å; L21-W27 HydrophobicContact CG-CD2 4.45Å; L21-W27 HydrophobicContact CG-CE3 4.44Å; L21-W27 HydrophobicContact CG-CH2 4.21Å; L21-W27 HydrophobicContact CG-CZ2 4.24Å; L21-W27 HydrophobicContact CG-CZ3 4.31Å; W27-D29 PolarHBondContact O-N 3.38Å; W27-L30 HydrophobicContact CE3-CD1 4.11Å; W27-L30 HydrophobicContact CZ3-CD1 4.21Å; W27-L30 PolarHBondContact O-N 3.39Å; W27-L30 VanDerWaalsContact O-N 3.1Å; W27-C230 VanDerWaalsContact CZ3-O 3.25Å; W27-C230 WeakPolarHBondContact CZ3-O 3.27Å
28A77.6Confident78.7Confident48 Ų4867.8 Ų67.840%0.39737%0.368SS..G310 helixtrans-67.4-22.2176.600000113.2S26 L30 K33S26-A28 PolarHBondContact O-N 3.43Å; S26-A28 PolarHBondContact OG-N 2.9Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-K33 PolarHBondContact O-NZ 3.27Å
29D77.5Confident79.2Confident70 Ų7061.4 Ų61.437%0.37434%0.343SS..G310 helixtrans-79.5-13174.8-60.1-58.7000112.7L25 S26 W27L25-D29 HydrophobicContact CD2-CB 4.17Å; L25-D29 HydrophobicContact CG-CB 3.99Å; S26-D29 PolarHBondContact N-OD2 2.69Å; S26-D29 WeakPolarHBondContact O-CB 3.27Å; S26-D29 PolarHBondContact O-N 3.21Å; S26-D29 PolarHBondContact OG-OD2 3.23Å; W27-D29 PolarHBondContact O-N 3.38Å
30L78.8Confident79.6Confident16 Ų1663.3 Ų63.38%0.08435%0.349CS..G310 helixtrans-106.225.8178.1-60.9177000112.1L21 L25 W27 A28 Y38 P176L21-L30 HydrophobicContact CD1-CD1 4.22Å; L21-L30 HydrophobicContact CD2-CD1 3.84Å; L25-L30 HydrophobicContact CD2-CD1 4.08Å; L25-L30 HydrophobicContact CD2-CD2 3.97Å; L25-L30 HydrophobicContact CD2-CG 3.84Å; W27-L30 HydrophobicContact CE3-CD1 4.11Å; W27-L30 HydrophobicContact CZ3-CD1 4.21Å; W27-L30 PolarHBondContact O-N 3.39Å; W27-L30 VanDerWaalsContact O-N 3.1Å; A28-L30 VanDerWaalsContact C-N 3.28Å; L30-Y38 HydrophobicContact CD2-CD1 4.11Å; L30-Y38 HydrophobicContact CD2-CE1 4.05Å; L30-Y38 WeakPolarHBondContact O-CB 3.46Å; L30-P176 HydrophobicContact CD2-CB 4.34Å
31E81Confident79.8Confident103 Ų10364 Ų6448%0.48136%0.36SS..SBendtrans-92.3149.6169.4-67.6-179.2154.100111K33 Y38E31-K33 PolarHBondContact O-N 3.39Å; E31-K33 WeakPolarHBondContact OE2-CE 3.43Å; E31-K33 IonicContact OE2-NZ 2.84Å; E31-K33 PolarHBondContact OE2-NZ 3.01Å; E31-Y38 WeakPolarHBondContact O-CD2 3.44Å; E31-Y38 WeakPolarHBondContact O-CE2 3.38Å
32D83.5Confident80.1Confident67 Ų6766.9 Ų66.936%0.35838%0.381SS..SBendtrans-58.5107.8-179.5-58.1-18000110.7R36 V37 Y38 K40D32-R36 VanDerWaalsContact CA-O 3.31Å; D32-R36 WeakPolarHBondContact CA-O 3.28Å; D32-V37 WeakPolarHBondContact OD1-CA 3.5Å; D32-Y38 PolarHBondContact OD1-N 2.84Å; D32-K40 IonicContact OD1-NZ 3.7Å; D32-K40 WeakPolarHBondContact OD2-CE 3.41Å; D32-K40 IonicContact OD2-NZ 2.7Å; D32-K40 PolarHBondContact OD2-NZ 3.49Å
33K80.6Confident80.5Confident103 Ų10368.8 Ų68.845%0.44839%0.39SS..BIsolated β-bridgetrans-146.7151.8-176.6-68.1173.4-173.6154.20108.5A28 E31 G35 R36A28-K33 PolarHBondContact O-NZ 3.27Å; E31-K33 PolarHBondContact O-N 3.39Å; E31-K33 WeakPolarHBondContact OE2-CE 3.43Å; E31-K33 IonicContact OE2-NZ 2.84Å; E31-K33 PolarHBondContact OE2-NZ 3.01Å; K33-G35 VanDerWaalsContact C-N 3.26Å; K33-G35 PolarHBondContact O-N 3.34Å; K33-R36 PolarHBondContact N-O 2.78Å; K33-R36 WeakPolarHBondContact O-CB 3.23Å; K33-R36 PolarHBondContact O-N 3.1Å
34D77.5Confident81.6Confident162 Ų16266 Ų6687%0.86636%0.363SS*.THydrogen-bonded Turntrans55.135.5176.2-51.2-39.2000114.8R36D34-R36 PolarHBondContact O-N 2.9Å
35G77.4Confident82.4Confident83 Ų8366 Ų6686%0.85636%0.357SS*.THydrogen-bonded Turntrans71.78-178.600000114.7K33K33-G35 VanDerWaalsContact C-N 3.26Å; K33-G35 PolarHBondContact O-N 3.34Å
36R80.8Confident83.2Confident114 Ų11467.3 Ų67.343%0.4337%0.366SS..BIsolated β-bridgetrans-93.4138.1172.3-59.2-176.7-174.8-157.62.5109.9D32 K33 D34 Y38 K177D32-R36 VanDerWaalsContact CA-O 3.31Å; D32-R36 WeakPolarHBondContact CA-O 3.28Å; K33-R36 PolarHBondContact N-O 2.78Å; K33-R36 WeakPolarHBondContact O-CB 3.23Å; K33-R36 PolarHBondContact O-N 3.1Å; D34-R36 PolarHBondContact O-N 2.9Å; R36-Y38 HydrophobicContact CB-CE2 3.95Å; R36-Y38 WeakPolarHBondContact CD-OH 3.44Å; R36-K177 PolarHBondContact NH1-O 3.26Å
37V86.8Confident83.8Confident61 Ų6166.6 Ų66.637%0.3736%0.36SS..  trans-110.1130.2175.6-175.20000108.3D32 S179 M180D32-V37 WeakPolarHBondContact OD1-CA 3.5Å; V37-S179 PolarHBondContact N-OG 3.08Å; V37-S179 VanDerWaalsContact N-OG 3.15Å; V37-S179 CarbonylContact O-C 3.54Å; V37-S179 WeakPolarHBondContact O-CA 3.38Å; V37-S179 PolarHBondContact O-OG 3.24Å; V37-M180 HydrophobicContact CG1-CE 3.81Å; V37-M180 WeakPolarHBondContact O-CB 3.44Å; V37-M180 PolarHBondContact O-N 3.27Å
38Y86.8Confident84.4Confident11 Ų1167.7 Ų67.74%0.04337%0.373CS..  trans-111.6155.6-178.6-67.6-76.6000112.2L30 E31 D32 R36 K40 Q178 M180L30-Y38 HydrophobicContact CD2-CD1 4.11Å; L30-Y38 HydrophobicContact CD2-CE1 4.05Å; L30-Y38 WeakPolarHBondContact O-CB 3.46Å; E31-Y38 WeakPolarHBondContact O-CD2 3.44Å; E31-Y38 WeakPolarHBondContact O-CE2 3.38Å; D32-Y38 PolarHBondContact OD1-N 2.84Å; R36-Y38 HydrophobicContact CB-CE2 3.95Å; R36-Y38 WeakPolarHBondContact CD-OH 3.44Å; Y38-K40 PolarHBondContact O-N 2.89Å; Y38-Q178 WeakPolarHBondContact CD1-O 3.36Å; Y38-Q178 WeakPolarHBondContact CE1-O 3.2Å; Y38-M180 VanDerWaalsContact O-CE 3.29Å; Y38-M180 WeakPolarHBondContact O-CE 3.33Å
39A85.4Confident85.2Confident14 Ų1468.9 Ų68.912%0.11638%0.376CS..  trans-68.8123.5172.500000110.6W229 I234A39-W229 HydrophobicContact CB-CD2 3.75Å; A39-W229 VanDerWaalsContact CB-CE2 3.5Å; A39-W229 HydrophobicContact CB-CE3 4.31Å; A39-W229 HydrophobicContact CB-CG 4.08Å; A39-W229 HydrophobicContact CB-CH2 4.41Å; A39-W229 HydrophobicContact CB-CZ2 3.89Å; A39-W229 VanDerWaalsContact CB-O 3.25Å; A39-W229 WeakPolarHBondContact CB-O 3.43Å; A39-I234 HydrophobicContact CB-CD1 3.77Å; A39-I234 HydrophobicContact CB-CG1 4.4Å
40K85.6Confident86Confident78 Ų7869.4 Ų69.434%0.33937%0.374SS..  trans-106.1142.9176.5-59.8175.2-171.7169.70109.7D32 Y38 S42 H43 W229D32-K40 IonicContact OD1-NZ 3.7Å; D32-K40 WeakPolarHBondContact OD2-CE 3.41Å; D32-K40 IonicContact OD2-NZ 2.7Å; D32-K40 PolarHBondContact OD2-NZ 3.49Å; Y38-K40 PolarHBondContact O-N 2.89Å; K40-S42 WeakPolarHBondContact CB-OG 3.49Å; K40-S42 PolarHBondContact O-N 2.95Å; K40-H43 PolarHBondContact N-ND1 3.1Å; K40-H43 WeakPolarHBondContact O-CB 3.49Å; K40-H43 PolarHBondContact O-N 2.74Å; K40-W229 PolarHBondContact O-NE1 3.4Å
41A84.6Confident86.8Confident39 Ų3969 Ų6932%0.32237%0.373SS..Hα-helixtrans-57.1-30.1172.800000112W15 H43 L44W15-A41 HydrophobicContact CH2-CB 4.05Å; W15-A41 HydrophobicContact CZ2-CB 4.3Å; A41-H43 PolarHBondContact O-N 2.88Å; A41-L44 WeakPolarHBondContact O-CB 3.49Å; A41-L44 PolarHBondContact O-N 3.14Å
42S85.1Confident87.4Confident62 Ų6270.2 Ų70.243%0.43438%0.377SS..Hα-helixtrans-61.8-28.3176.8580000113.7K40 L44 Y45K40-S42 WeakPolarHBondContact CB-OG 3.49Å; K40-S42 PolarHBondContact O-N 2.95Å; S42-L44 PolarHBondContact O-N 3.3Å; S42-Y45 WeakPolarHBondContact O-CB 3.25Å; S42-Y45 WeakPolarHBondContact O-CD2 3.33Å; S42-Y45 PolarHBondContact O-N 3.33Å
43H87.8Confident87.9Confident39 Ų3969.7 Ų69.718%0.18138%0.379CS..Hα-helixtrans-64.6-27.3176.1-58.5161.8000111.6K40 A41 Y45 V46 Y185 W229K40-H43 PolarHBondContact N-ND1 3.1Å; K40-H43 WeakPolarHBondContact O-CB 3.49Å; K40-H43 PolarHBondContact O-N 2.74Å; A41-H43 PolarHBondContact O-N 2.88Å; H43-Y45 VanDerWaalsContact C-N 3.25Å; H43-Y45 PolarHBondContact O-N 2.67Å; H43-V46 WeakPolarHBondContact O-CB 3.34Å; H43-V46 PolarHBondContact O-N 3.17Å; H43-V46 VanDerWaalsContact O-N 3.16Å; H43-Y185 HydrophobicContact CB-CE2 4.06Å; H43-Y185 AromaticContact CG-CE2 3.9Å; H43-Y185 AromaticContact ND1-CE2 3.86Å; H43-W229 HydrophobicContact CB-CZ2 3.94Å; H43-W229 AromaticContact ND1-CZ2 3.59Å
44L89.1Confident88.6Confident26 Ų2666.2 Ų66.214%0.13636%0.364CS..Hα-helixtrans-66.7-27.1178-59.2-177000112.2A41 S42 V46 T47 M192 W229A41-L44 WeakPolarHBondContact O-CB 3.49Å; A41-L44 PolarHBondContact O-N 3.14Å; S42-L44 PolarHBondContact O-N 3.3Å; L44-V46 PolarHBondContact O-N 3.26Å; L44-T47 WeakPolarHBondContact O-CB 3.5Å; L44-T47 PolarHBondContact O-N 3.14Å; L44-T47 VanDerWaalsContact O-N 3.07Å; L44-T47 PolarHBondContact O-OG1 3.2Å; L44-M192 HydrophobicContact CD2-CE 3.8Å; L44-M192 HydrophobicContact CD2-SD 3.67Å; L44-W229 HydrophobicContact CD2-CB 3.99Å; L44-W229 HydrophobicContact CD2-CD2 4.42Å; L44-W229 HydrophobicContact CD2-CG 3.7Å; L44-W229 HydrophobicContact CG-CG 4.36Å
45Y89.3Confident89.4Confident177 Ų17761 Ų6169%0.69434%0.335SS*.Hα-helixtrans-63.7-27.2175.8-64.7-56.3000112.8S42 H43 T47 V48 P49S42-Y45 WeakPolarHBondContact O-CB 3.25Å; S42-Y45 WeakPolarHBondContact O-CD2 3.33Å; S42-Y45 PolarHBondContact O-N 3.33Å; H43-Y45 VanDerWaalsContact C-N 3.25Å; H43-Y45 PolarHBondContact O-N 2.67Å; Y45-T47 PolarHBondContact O-N 3.39Å; Y45-V48 PolarHBondContact O-N 2.99Å; Y45-P49 WeakPolarHBondContact O-CD 3.41Å
46V92.4Very high90.2Very high53 Ų5362 Ų6232%0.32132%0.321SS..Hα-helixtrans-68.6-23.8177.7175.60000111.1H43 L44 V48 P49 Y50H43-V46 WeakPolarHBondContact O-CB 3.34Å; H43-V46 PolarHBondContact O-N 3.17Å; H43-V46 VanDerWaalsContact O-N 3.16Å; L44-V46 PolarHBondContact O-N 3.26Å; V46-V48 VanDerWaalsContact C-N 3.26Å; V46-V48 PolarHBondContact O-N 3.38Å; V46-P49 WeakPolarHBondContact O-CD 3.37Å; V46-P49 VanDerWaalsContact O-CG 3.24Å; V46-P49 WeakPolarHBondContact O-CG 3.3Å; V46-Y50 HydrophobicContact CG1-CD2 3.48Å; V46-Y50 VanDerWaalsContact CG1-CD2 3.48Å; V46-Y50 HydrophobicContact CG1-CE2 3.3Å; V46-Y50 WeakPolarHBondContact O-CD2 3.3Å; V46-Y50 PolarHBondContact O-N 3.21Å
47T92.8Very high90.9Very high17 Ų1760 Ų6010%0.10432%0.321CS..Hα-helixtrans-66.8-27.6178.668.30000113.1L44 Y45 A51 I189 M192 S193L44-T47 WeakPolarHBondContact O-CB 3.5Å; L44-T47 PolarHBondContact O-N 3.14Å; L44-T47 VanDerWaalsContact O-N 3.07Å; L44-T47 PolarHBondContact O-OG1 3.2Å; Y45-T47 PolarHBondContact O-N 3.39Å; T47-A51 WeakPolarHBondContact O-CB 3.47Å; T47-A51 PolarHBondContact O-N 3.23Å; T47-I189 HydrophobicContact CG2-CD1 3.72Å; T47-I189 HydrophobicContact CG2-CG2 4.34Å; T47-M192 HydrophobicContact CG2-CB 4.12Å; T47-M192 HydrophobicContact CG2-CG 4.11Å; T47-M192 HydrophobicContact CG2-SD 3.8Å; T47-S193 VanDerWaalsContact CA-OG 3.31Å; T47-S193 WeakPolarHBondContact CA-OG 3.42Å; T47-S193 PolarHBondContact O-OG 3.17Å
48V92.1Very high91.3Very high79 Ų7957.9 Ų57.948%0.47931%0.306SS..Hα-helixtrans-65.9-56.2179.31790000112.4Y45 V46 Y50 A51 F52Y45-V48 PolarHBondContact O-N 2.99Å; V46-V48 VanDerWaalsContact C-N 3.26Å; V46-V48 PolarHBondContact O-N 3.38Å; V48-Y50 VanDerWaalsContact C-N 3.26Å; V48-Y50 PolarHBondContact O-N 2.87Å; V48-A51 WeakPolarHBondContact O-CB 3.48Å; V48-A51 PolarHBondContact O-N 3.2Å; V48-A51 VanDerWaalsContact O-N 3.13Å; V48-F52 HydrophobicContact CG1-CD2 4.13Å; V48-F52 HydrophobicContact CG1-CE2 3.77Å; V48-F52 WeakPolarHBondContact O-CD2 3.41Å; V48-F52 PolarHBondContact O-N 3.25Å; V48-F52 VanDerWaalsContact O-N 3.17Å
49P94.6Very high91.6Very high72 Ų7263.3 Ų63.347%0.46833%0.328SS..Hα-helixtrans-62.6-33176.224-33.2000112.5Y45 V46 F52 S53Y45-P49 WeakPolarHBondContact O-CD 3.41Å; V46-P49 WeakPolarHBondContact O-CD 3.37Å; V46-P49 VanDerWaalsContact O-CG 3.24Å; V46-P49 WeakPolarHBondContact O-CG 3.3Å; P49-F52 PolarHBondContact O-N 2.94Å; P49-S53 WeakPolarHBondContact O-CB 3.48Å; P49-S53 PolarHBondContact O-N 3.46Å; P49-S53 PolarHBondContact O-OG 3.27Å
50Y94.9Very high92Very high81 Ų8165.2 Ų65.232%0.31834%0.335SS..Hα-helixtrans-67.2-36.5172.7-81.8-64.9000112.5V46 V48 F52 S53 F54 W186 I189 S193V46-Y50 HydrophobicContact CG1-CD2 3.48Å; V46-Y50 VanDerWaalsContact CG1-CD2 3.48Å; V46-Y50 HydrophobicContact CG1-CE2 3.3Å; V46-Y50 WeakPolarHBondContact O-CD2 3.3Å; V46-Y50 PolarHBondContact O-N 3.21Å; V48-Y50 VanDerWaalsContact C-N 3.26Å; V48-Y50 PolarHBondContact O-N 2.87Å; Y50-F52 VanDerWaalsContact C-N 3.34Å; Y50-F52 PolarHBondContact O-N 2.9Å; Y50-S53 CarbonylContact O-C 3.58Å; Y50-S53 WeakPolarHBondContact O-CA 3.43Å; Y50-S53 WeakPolarHBondContact O-CB 3.44Å; Y50-S53 PolarHBondContact O-N 3.18Å; Y50-S53 VanDerWaalsContact O-N 3.12Å; Y50-F54 VanDerWaalsContact O-CD2 3.23Å; Y50-F54 WeakPolarHBondContact O-CD2 3.26Å; Y50-F54 PolarHBondContact O-N 2.77Å; Y50-W186 HydrophobicContact CE2-CZ3 4.47Å; Y50-I189 HydrophobicContact CD2-CG2 4.07Å; Y50-I189 HydrophobicContact CE2-CG2 4.42Å; Y50-S193 VanDerWaalsContact CB-OG 3.24Å; Y50-S193 WeakPolarHBondContact CB-OG 3.28Å
51A94Very high92.5Very high9 Ų962.6 Ų62.67%0.07432%0.324CS..Hα-helixtrans-60.6-42.3173.600000111.8T47 V48 S53 F54 L55 S193 C197T47-A51 WeakPolarHBondContact O-CB 3.47Å; T47-A51 PolarHBondContact O-N 3.23Å; V48-A51 WeakPolarHBondContact O-CB 3.48Å; V48-A51 PolarHBondContact O-N 3.2Å; V48-A51 VanDerWaalsContact O-N 3.13Å; A51-S53 VanDerWaalsContact C-N 3.34Å; A51-F54 PolarHBondContact O-N 3.42Å; A51-L55 PolarHBondContact O-N 2.88Å; A51-S193 WeakPolarHBondContact CA-O 3.32Å; A51-S193 VanDerWaalsContact CB-O 3.28Å; A51-S193 WeakPolarHBondContact CB-O 3.31Å; A51-C197 HydrophobicContact CB-CB 4.39Å
52F93.8Very high92.9Very high127 Ų12762.5 Ų62.556%0.55732%0.317SS*.Hα-helixtrans-66.4-36.3172.5-73.1-72.1000112.7V48 P49 Y50 F54 L55 L56V48-F52 HydrophobicContact CG1-CD2 4.13Å; V48-F52 HydrophobicContact CG1-CE2 3.77Å; V48-F52 WeakPolarHBondContact O-CD2 3.41Å; V48-F52 PolarHBondContact O-N 3.25Å; V48-F52 VanDerWaalsContact O-N 3.17Å; P49-F52 PolarHBondContact O-N 2.94Å; Y50-F52 VanDerWaalsContact C-N 3.34Å; Y50-F52 PolarHBondContact O-N 2.9Å; F52-F54 VanDerWaalsContact C-N 3.34Å; F52-L55 HydrophobicContact CD1-CD1 4.06Å; F52-L55 WeakPolarHBondContact O-CB 3.46Å; F52-L55 PolarHBondContact O-N 3.43Å; F52-L56 PolarHBondContact O-N 3.02Å; F52-L56 VanDerWaalsContact O-N 3.08Å
53S95Very high93.2Very high57 Ų5766.7 Ų66.740%0.39932%0.324SS..Hα-helixtrans-62.8-42173.6-56.10000110.8P49 Y50 A51 L55 L56 V57P49-S53 WeakPolarHBondContact O-CB 3.48Å; P49-S53 PolarHBondContact O-N 3.46Å; P49-S53 PolarHBondContact O-OG 3.27Å; Y50-S53 CarbonylContact O-C 3.58Å; Y50-S53 WeakPolarHBondContact O-CA 3.43Å; Y50-S53 WeakPolarHBondContact O-CB 3.44Å; Y50-S53 PolarHBondContact O-N 3.18Å; Y50-S53 VanDerWaalsContact O-N 3.12Å; A51-S53 VanDerWaalsContact C-N 3.34Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 2.66Å; S53-L56 WeakPolarHBondContact O-CB 3.25Å; S53-L56 PolarHBondContact O-N 3.15Å; S53-L56 VanDerWaalsContact O-N 3.15Å; S53-V57 WeakPolarHBondContact O-CG2 3.35Å; S53-V57 PolarHBondContact O-N 3.27Å
54F95.6Very high93.4Very high30 Ų3073 Ų7313%0.13235%0.346CS..Hα-helixtrans-62.2-36.3173.2-84.7-65.2000112.7Y50 A51 F52 L56 V57 R58 W143 F147 L190 C197Y50-F54 VanDerWaalsContact O-CD2 3.23Å; Y50-F54 WeakPolarHBondContact O-CD2 3.26Å; Y50-F54 PolarHBondContact O-N 2.77Å; A51-F54 PolarHBondContact O-N 3.42Å; F52-F54 VanDerWaalsContact C-N 3.34Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 3.16Å; F54-V57 PolarHBondContact O-N 3.29Å; F54-R58 WeakPolarHBondContact O-CB 3.02Å; F54-R58 PolarHBondContact O-N 2.76Å; F54-W143 HydrophobicContact CD1-CH2 4.11Å; F54-W143 AromaticContact CD1-CZ2 3.93Å; F54-W143 HydrophobicContact CD1-CZ2 3.93Å; F54-F147 HydrophobicContact CE1-CD2 4.02Å; F54-F147 AromaticContact CE1-CE2 3.88Å; F54-F147 HydrophobicContact CE1-CE2 3.88Å; F54-F147 HydrophobicContact CZ-CD2 4.45Å; F54-F147 AromaticContact CZ-CE2 3.84Å; F54-F147 HydrophobicContact CZ-CE2 3.84Å; F54-L190 HydrophobicContact CE2-CD2 4.18Å; F54-L190 HydrophobicContact CZ-CD2 3.92Å; F54-C197 HydrophobicContact CB-CB 3.83Å
55L93.7Very high93.7Very high52 Ų5276.3 Ų76.327%0.27236%0.362SS..Hα-helixtrans-62.7-40.8172.7-72.1171.5000111.9A51 F52 S53 Y59 C197 C200A51-L55 PolarHBondContact O-N 2.88Å; F52-L55 HydrophobicContact CD1-CD1 4.06Å; F52-L55 WeakPolarHBondContact O-CB 3.46Å; F52-L55 PolarHBondContact O-N 3.43Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 2.66Å; L55-Y59 PolarHBondContact O-N 2.92Å; L55-C197 WeakPolarHBondContact CD2-SG 3.46Å; L55-C197 HydrophobicContact CG-CB 4.47Å; L55-C200 HydrophobicContact CD1-CB 4.16Å
56L94.4Very high93.9Very high105 Ų10567.9 Ų67.955%0.5533%0.329SS..Hα-helixtrans-65.7-48.6175178.462.6000111.1F52 S53 F54 R58 Y59 L60F52-L56 PolarHBondContact O-N 3.02Å; F52-L56 VanDerWaalsContact O-N 3.08Å; S53-L56 WeakPolarHBondContact O-CB 3.25Å; S53-L56 PolarHBondContact O-N 3.15Å; S53-L56 VanDerWaalsContact O-N 3.15Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 3.16Å; L56-R58 VanDerWaalsContact C-N 3.28Å; L56-R58 PolarHBondContact O-N 2.91Å; L56-Y59 WeakPolarHBondContact O-CB 3.31Å; L56-Y59 PolarHBondContact O-N 2.87Å; L56-Y59 VanDerWaalsContact O-N 3.14Å; L56-L60 HydrophobicContact CD1-CG 4.47Å; L56-L60 HydrophobicContact CG-CD1 4.37Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.23Å
57V95.4Very high93.8Very high72 Ų7266.8 Ų66.844%0.43632%0.323SS..Hα-helixtrans-60-42177.9176.70000110.4S53 F54 Y59 L60 F61 W143S53-V57 WeakPolarHBondContact O-CG2 3.35Å; S53-V57 PolarHBondContact O-N 3.27Å; F54-V57 PolarHBondContact O-N 3.29Å; V57-Y59 PolarHBondContact O-N 3.25Å; V57-L60 PolarHBondContact O-N 2.9Å; V57-F61 VanDerWaalsContact O-CB 3.25Å; V57-F61 WeakPolarHBondContact O-CB 3.14Å; V57-F61 PolarHBondContact O-N 2.94Å; V57-W143 HydrophobicContact CB-CH2 4.02Å; V57-W143 HydrophobicContact CG1-CH2 3.56Å; V57-W143 HydrophobicContact CG1-CZ3 3.78Å
58R94.5Very high93.7Very high16 Ų1669.2 Ų69.26%0.0634%0.339CS..Hα-helixtrans-56.6-50.1173.6178.9177174.2180-11.7111.2F54 L56 L60 F61 E62 W143 S201 D205F54-R58 WeakPolarHBondContact O-CB 3.02Å; F54-R58 PolarHBondContact O-N 2.76Å; L56-R58 VanDerWaalsContact C-N 3.28Å; L56-R58 PolarHBondContact O-N 2.91Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 3.45Å; R58-F61 PolarHBondContact O-N 3.35Å; R58-E62 HydrophobicContact CG-CG 4.28Å; R58-E62 IonicContact CZ-OE1 3.7Å; R58-E62 IonicContact NE-OE1 3.17Å; R58-E62 PolarHBondContact NE-OE1 3.33Å; R58-E62 IonicContact NH2-OE1 3.98Å; R58-E62 PolarHBondContact NH2-OE1 3.13Å; R58-E62 WeakPolarHBondContact O-CB 3.32Å; R58-E62 VanDerWaalsContact O-CG 3.32Å; R58-E62 WeakPolarHBondContact O-CG 3.43Å; R58-E62 PolarHBondContact O-N 3.39Å; R58-W143 HydrophobicContact CB-CD2 3.89Å; R58-W143 HydrophobicContact CB-CE3 4.41Å; R58-W143 HydrophobicContact CB-CG 4.33Å; R58-W143 HydrophobicContact CB-CH2 4.33Å; R58-W143 HydrophobicContact CB-CZ2 3.79Å; R58-W143 HydrophobicContact CG-CD2 3.86Å; R58-W143 HydrophobicContact CG-CG 3.76Å; R58-S201 PolarHBondContact NH1-OG 2.95Å; R58-D205 IonicContact CZ-OD1 2.65Å; R58-D205 VanDerWaalsContact CZ-OD1 3.32Å; R58-D205 IonicContact CZ-OD2 3.61Å; R58-D205 IonicContact NH1-OD1 3.92Å; R58-D205 PolarHBondContact NH1-OD1 2.88Å; R58-D205 VanDerWaalsContact NH1-OD1 3.1Å; R58-D205 IonicContact NH1-OD2 2.7Å; R58-D205 PolarHBondContact NH1-OD2 2.85Å; R58-D205 IonicContact NH2-OD1 3.2Å; R58-D205 PolarHBondContact NH2-OD1 2.9Å; R58-D205 IonicContact NH2-OD2 3.46Å
59Y92.6Very high93.7Very high124 Ų12469.5 Ų69.549%0.48634%0.338SS..Hα-helixtrans-57.4-44.8178.2172.7-97.4000112.1L55 L56 V57 R63L55-Y59 PolarHBondContact O-N 2.92Å; L56-Y59 WeakPolarHBondContact O-CB 3.31Å; L56-Y59 PolarHBondContact O-N 2.87Å; L56-Y59 VanDerWaalsContact O-N 3.14Å; V57-Y59 PolarHBondContact O-N 3.25Å; Y59-R63 WeakPolarHBondContact O-CB 3.29Å; Y59-R63 PolarHBondContact O-N 3.4Å; Y59-R63 PolarHBondContact OH-NH1 2.63Å
60L95.4Very high93.5Very high54 Ų5466.1 Ų66.128%0.28332%0.315SS..Hα-helixtrans-65.9-44.7177.4-63.4177.8000111.7L56 V57 R58 R63 W64L56-L60 HydrophobicContact CD1-CG 4.47Å; L56-L60 HydrophobicContact CG-CD1 4.37Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.23Å; V57-L60 PolarHBondContact O-N 2.9Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 3.45Å; L60-R63 PolarHBondContact O-N 3.43Å; L60-W64 HydrophobicContact CB-CE3 4.09Å; L60-W64 HydrophobicContact CB-CZ3 4.19Å; L60-W64 HydrophobicContact CD1-CH2 4.47Å; L60-W64 HydrophobicContact CD1-CZ3 4.21Å; L60-W64 HydrophobicContact CD2-CE3 4.42Å; L60-W64 HydrophobicContact CD2-CH2 3.72Å; L60-W64 HydrophobicContact CD2-CZ2 3.9Å; L60-W64 HydrophobicContact CD2-CZ3 3.99Å; L60-W64 HydrophobicContact CG-CZ3 4.35Å; L60-W64 WeakPolarHBondContact O-CB 3.32Å; L60-W64 PolarHBondContact O-N 3.16Å
61F95.4Very high93.2Very high23 Ų2366.8 Ų66.810%0.10133%0.328CS..Hα-helixtrans-60.3-48.3177.8177.2-88.4000111.7V57 R58 R63 W64 I65 A66 W143 V146V57-F61 VanDerWaalsContact O-CB 3.25Å; V57-F61 WeakPolarHBondContact O-CB 3.14Å; V57-F61 PolarHBondContact O-N 2.94Å; R58-F61 PolarHBondContact O-N 3.35Å; F61-R63 PolarHBondContact O-N 2.83Å; F61-W64 PolarHBondContact O-N 3.12Å; F61-I65 HydrophobicContact CD2-CB 3.99Å; F61-I65 HydrophobicContact CD2-CD1 3.75Å; F61-I65 HydrophobicContact CD2-CG1 4.3Å; F61-I65 HydrophobicContact CD2-CG2 4.3Å; F61-I65 HydrophobicContact CE2-CB 3.94Å; F61-I65 HydrophobicContact CE2-CD1 4.03Å; F61-I65 HydrophobicContact CE2-CG2 3.75Å; F61-I65 HydrophobicContact CG-CB 4.46Å; F61-I65 HydrophobicContact CZ-CB 4.4Å; F61-I65 HydrophobicContact CZ-CG2 4.1Å; F61-I65 WeakPolarHBondContact O-CA 3.46Å; F61-I65 WeakPolarHBondContact O-CB 3.48Å; F61-I65 PolarHBondContact O-N 2.92Å; F61-A66 HydrophobicContact CD1-CB 4.2Å; F61-A66 HydrophobicContact CE1-CB 3.87Å; F61-A66 PolarHBondContact O-N 3.15Å; F61-W143 HydrophobicContact CB-CE3 3.78Å; F61-W143 HydrophobicContact CB-CZ3 3.93Å; F61-W143 HydrophobicContact CD1-CB 4.08Å; F61-W143 AromaticContact CD1-CE3 3.71Å; F61-W143 HydrophobicContact CD1-CE3 3.71Å; F61-W143 HydrophobicContact CD2-CE3 4.21Å; F61-W143 HydrophobicContact CD2-CZ3 4.42Å; F61-W143 HydrophobicContact CE1-CB 4.17Å; F61-W143 HydrophobicContact CE1-CE3 4.38Å; F61-W143 AromaticContact CG-CE3 3.63Å; F61-W143 HydrophobicContact CG-CE3 3.63Å; F61-W143 HydrophobicContact CG-CZ3 4.08Å; F61-V146 HydrophobicContact CE2-CB 4.35Å; F61-V146 HydrophobicContact CE2-CG1 4.37Å; F61-V146 HydrophobicContact CE2-CG2 3.92Å; F61-V146 HydrophobicContact CZ-CB 4.3Å; F61-V146 HydrophobicContact CZ-CG2 3.7Å
62E93Very high92.9Very high38 Ų3870.9 Ų70.918%0.17836%0.356CS..Iπ-helixtrans-59.9-38.3179.4-73.4-173.8-169.400111.3R58 T67 R139R58-E62 HydrophobicContact CG-CG 4.28Å; R58-E62 IonicContact CZ-OE1 3.7Å; R58-E62 IonicContact NE-OE1 3.17Å; R58-E62 PolarHBondContact NE-OE1 3.33Å; R58-E62 IonicContact NH2-OE1 3.98Å; R58-E62 PolarHBondContact NH2-OE1 3.13Å; R58-E62 WeakPolarHBondContact O-CB 3.32Å; R58-E62 VanDerWaalsContact O-CG 3.32Å; R58-E62 WeakPolarHBondContact O-CG 3.43Å; R58-E62 PolarHBondContact O-N 3.39Å; E62-T67 PolarHBondContact O-N 3.27Å; E62-T67 PolarHBondContact O-OG1 3.15Å; E62-R139 HydrophobicContact CB-CB 4.42Å; E62-R139 HydrophobicContact CG-CB 4.03Å
63R90.9Very high92.6Very high150 Ų15066.4 Ų66.457%0.56634%0.343SS*.Iπ-helixtrans-76.4-46.6-179-171171.6-178.7154.9-1.5113Y59 L60 F61Y59-R63 WeakPolarHBondContact O-CB 3.29Å; Y59-R63 PolarHBondContact O-N 3.4Å; Y59-R63 PolarHBondContact OH-NH1 2.63Å; L60-R63 PolarHBondContact O-N 3.43Å; F61-R63 PolarHBondContact O-N 2.83Å
64W93.4Very high92.1Very high172 Ų17266.4 Ų66.465%0.65235%0.352SS*.Iπ-helixtrans-97.3-23.9-168.7-62.7-22.9000114.5L60 F61 P68L60-W64 HydrophobicContact CB-CE3 4.09Å; L60-W64 HydrophobicContact CB-CZ3 4.19Å; L60-W64 HydrophobicContact CD1-CH2 4.47Å; L60-W64 HydrophobicContact CD1-CZ3 4.21Å; L60-W64 HydrophobicContact CD2-CE3 4.42Å; L60-W64 HydrophobicContact CD2-CH2 3.72Å; L60-W64 HydrophobicContact CD2-CZ2 3.9Å; L60-W64 HydrophobicContact CD2-CZ3 3.99Å; L60-W64 HydrophobicContact CG-CZ3 4.35Å; L60-W64 WeakPolarHBondContact O-CB 3.32Å; L60-W64 PolarHBondContact O-N 3.16Å; F61-W64 PolarHBondContact O-N 3.12Å; W64-P68 WeakPolarHBondContact O-CG 3.32Å
65I94.5Very high91.6Very high94 Ų9465.6 Ų65.648%0.48235%0.348SS..Iπ-helixtrans-117.1-56.3-174.9-56.3-177.6000110.6F61 T67 P68 L69F61-I65 HydrophobicContact CD2-CB 3.99Å; F61-I65 HydrophobicContact CD2-CD1 3.75Å; F61-I65 HydrophobicContact CD2-CG1 4.3Å; F61-I65 HydrophobicContact CD2-CG2 4.3Å; F61-I65 HydrophobicContact CE2-CB 3.94Å; F61-I65 HydrophobicContact CE2-CD1 4.03Å; F61-I65 HydrophobicContact CE2-CG2 3.75Å; F61-I65 HydrophobicContact CG-CB 4.46Å; F61-I65 HydrophobicContact CZ-CB 4.4Å; F61-I65 HydrophobicContact CZ-CG2 4.1Å; F61-I65 WeakPolarHBondContact O-CA 3.46Å; F61-I65 WeakPolarHBondContact O-CB 3.48Å; F61-I65 PolarHBondContact O-N 2.92Å; I65-T67 PolarHBondContact O-N 2.9Å; I65-P68 VanDerWaalsContact O-CD 3.23Å; I65-P68 WeakPolarHBondContact O-CD 3.35Å; I65-P68 VanDerWaalsContact O-CG 3.27Å; I65-P68 WeakPolarHBondContact O-CG 2.99Å; I65-L69 VanDerWaalsContact O-CB 3.27Å; I65-L69 WeakPolarHBondContact O-CB 3.47Å; I65-L69 PolarHBondContact O-N 3.41Å; I65-L69 VanDerWaalsContact O-N 3.1Å
66A92.6Very high90.5Very high0 Ų073.7 Ų73.70%038%0.375CS..Iπ-helixtrans-67.4-36.5-173.200000113.1F61 A70 R139 S142F61-A66 HydrophobicContact CD1-CB 4.2Å; F61-A66 HydrophobicContact CE1-CB 3.87Å; F61-A66 PolarHBondContact O-N 3.15Å; A66-A70 VanDerWaalsContact O-CB 3.31Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.43Å; A66-R139 HydrophobicContact CB-CB 4.27Å; A66-R139 HydrophobicContact CB-CG 3.86Å; A66-S142 VanDerWaalsContact CB-OG 3.26Å; A66-S142 WeakPolarHBondContact CB-OG 3.5Å
67T90.9Very high89.2Confident31 Ų3174.9 Ų74.919%0.1938%0.378CS..Hα-helixtrans-63.9-54.5177.8-57.90000113.2E62 I65 L69 A70 V71 R139E62-T67 PolarHBondContact O-N 3.27Å; E62-T67 PolarHBondContact O-OG1 3.15Å; I65-T67 PolarHBondContact O-N 2.9Å; T67-L69 VanDerWaalsContact C-N 3.28Å; T67-L69 PolarHBondContact O-N 3.15Å; T67-A70 PolarHBondContact O-N 3.48Å; T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 3.2Å; T67-V71 VanDerWaalsContact O-N 3.1Å; T67-R139 VanDerWaalsContact CG2-NH2 3.29Å; T67-R139 PolarHBondContact OG1-NE 2.75Å; T67-R139 PolarHBondContact OG1-NH2 3.49Å
68P91.2Very high87.6Confident68 Ų6880 Ų8044%0.44239%0.389SS..Hα-helixtrans-62.3-37.5176.821.1-30.2000111.9W64 I65 A70 V71 S72W64-P68 WeakPolarHBondContact O-CG 3.32Å; I65-P68 VanDerWaalsContact O-CD 3.23Å; I65-P68 WeakPolarHBondContact O-CD 3.35Å; I65-P68 VanDerWaalsContact O-CG 3.27Å; I65-P68 WeakPolarHBondContact O-CG 2.99Å; P68-A70 PolarHBondContact O-N 2.8Å; P68-V71 PolarHBondContact O-N 2.89Å; P68-S72 PolarHBondContact O-N 3.38Å; P68-S72 PolarHBondContact O-OG 2.86Å
69L91.6Very high85.9Confident85 Ų8584.5 Ų84.545%0.44542%0.418SS..Hα-helixtrans-58.8-46.4175-171.175.6000111.6I65 T67 V71 S72 A73 F138I65-L69 VanDerWaalsContact O-CB 3.27Å; I65-L69 WeakPolarHBondContact O-CB 3.47Å; I65-L69 PolarHBondContact O-N 3.41Å; I65-L69 VanDerWaalsContact O-N 3.1Å; T67-L69 VanDerWaalsContact C-N 3.28Å; T67-L69 PolarHBondContact O-N 3.15Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 2.8Å; L69-S72 WeakPolarHBondContact CA-OG 3.21Å; L69-S72 PolarHBondContact O-N 3.48Å; L69-S72 PolarHBondContact O-OG 3.25Å; L69-A73 WeakPolarHBondContact O-CB 3.28Å; L69-A73 PolarHBondContact O-N 2.98Å; L69-F138 HydrophobicContact CB-CE1 4.46Å; L69-F138 HydrophobicContact CD2-CE1 4.1Å; L69-F138 HydrophobicContact CD2-CZ 3.98Å; L69-F138 HydrophobicContact CG-CE1 4.38Å; L69-F138 HydrophobicContact CG-CZ 4.26Å
70A90.2Very high84.5Confident0 Ų083.1 Ų83.10%042%0.416CS..Hα-helixtrans-60.1-41.9177.300000111.9A66 T67 P68 A73 G74 I75 L135 F138A66-A70 VanDerWaalsContact O-CB 3.31Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.43Å; T67-A70 PolarHBondContact O-N 3.48Å; P68-A70 PolarHBondContact O-N 2.8Å; A70-A73 CarbonylContact O-C 3.58Å; A70-A73 PolarHBondContact O-N 2.99Å; A70-G74 PolarHBondContact O-N 2.78Å; A70-I75 HydrophobicContact CB-CB 4.2Å; A70-I75 HydrophobicContact CB-CD1 4.27Å; A70-I75 WeakPolarHBondContact O-CA 3.48Å; A70-I75 VanDerWaalsContact O-CB 3.28Å; A70-I75 WeakPolarHBondContact O-CB 3.37Å; A70-I75 PolarHBondContact O-N 3.5Å; A70-L135 HydrophobicContact CB-CD1 3.37Å; A70-F138 HydrophobicContact CB-CD1 3.58Å; A70-F138 HydrophobicContact CB-CE1 3.69Å; A70-F138 HydrophobicContact CB-CG 4.3Å; A70-F138 HydrophobicContact CB-CZ 4.48Å
71V88.8Confident83.1Confident95 Ų9586.7 Ų86.758%0.57644%0.435SS*.Hα-helixtrans-65.3-43177.3174.60000110.9T67 P68 L69 A73 G74T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 3.2Å; T67-V71 VanDerWaalsContact O-N 3.1Å; P68-V71 PolarHBondContact O-N 2.89Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 2.8Å; V71-A73 VanDerWaalsContact C-N 3.26Å; V71-A73 PolarHBondContact O-N 2.84Å; V71-G74 PolarHBondContact O-N 2.99Å
72S88.7Confident82.1Confident96 Ų9694.3 Ų94.367%0.67147%0.468SS*.Hα-helixtrans-63.6-31.717564.90000113.1P68 L69 G74P68-S72 PolarHBondContact O-N 3.38Å; P68-S72 PolarHBondContact O-OG 2.86Å; L69-S72 WeakPolarHBondContact CA-OG 3.21Å; L69-S72 PolarHBondContact O-N 3.48Å; L69-S72 PolarHBondContact O-OG 3.25Å; S72-G74 PolarHBondContact O-N 3.47Å
73A87Confident81.5Confident33 Ų3393.7 Ų93.727%0.27347%0.467SS..THydrogen-bonded Turntrans-77.74.117400000113.3L69 A70 V71 A260L69-A73 WeakPolarHBondContact O-CB 3.28Å; L69-A73 PolarHBondContact O-N 2.98Å; A70-A73 CarbonylContact O-C 3.58Å; A70-A73 PolarHBondContact O-N 2.99Å; V71-A73 VanDerWaalsContact C-N 3.26Å; V71-A73 PolarHBondContact O-N 2.84Å; A73-A260 HydrophobicContact CB-CB 4.16Å
74G83.9Confident81.1Confident57 Ų5794.4 Ų94.459%0.58848%0.477SS*.THydrogen-bonded Turntrans83.77.1177.900000115.1A70 V71 S72 R76A70-G74 PolarHBondContact O-N 2.78Å; V71-G74 PolarHBondContact O-N 2.99Å; S72-G74 PolarHBondContact O-N 3.47Å; G74-R76 PolarHBondContact O-N 3.37Å; G74-R76 VanDerWaalsContact O-N 3.1Å
75I84.8Confident80.5Confident13 Ų1393.8 Ų93.87%0.06748%0.481CS..  trans-79.496.3179-52.8175000108.8A70 V134 L135 F138A70-I75 HydrophobicContact CB-CB 4.2Å; A70-I75 HydrophobicContact CB-CD1 4.27Å; A70-I75 WeakPolarHBondContact O-CA 3.48Å; A70-I75 VanDerWaalsContact O-CB 3.28Å; A70-I75 WeakPolarHBondContact O-CB 3.37Å; A70-I75 PolarHBondContact O-N 3.5Å; I75-V134 HydrophobicContact CG2-CG1 4.19Å; I75-L135 HydrophobicContact CG2-CB 4.49Å; I75-F138 HydrophobicContact CD1-CB 4.11Å; I75-F138 HydrophobicContact CD1-CD1 4.39Å; I75-F138 HydrophobicContact CD1-CD2 3.33Å; I75-F138 HydrophobicContact CD1-CE2 3.74Å; I75-F138 HydrophobicContact CD1-CG 3.69Å; I75-F138 HydrophobicContact CD1-CZ 4.42Å
76R71.7Confident80.1Confident222 Ų22290.6 Ų90.684%0.83846%0.464SS*.  trans-76137.7177.6-66.3-173.9-177.9-174.50.9111.4G74 R78G74-R76 PolarHBondContact O-N 3.37Å; G74-R76 VanDerWaalsContact O-N 3.1Å; R76-R78 PolarHBondContact O-N 2.85Å
77H66.1Low79.9Confident130 Ų13094.5 Ų94.560%0.60249%0.49SS*.  trans-66.795.8168.1-176.4-71.1000109.6V79 L135H77-V79 PolarHBondContact O-N 3.44Å; H77-L135 HydrophobicContact CB-CD2 4.29Å
78R62.3Low79.7Confident178 Ų17896.2 Ų96.267%0.67250%0.497SS*.  trans-72.5113.7167.9-66.9-166.8-164.6-177.814.6107.9R76 Q80 D361R76-R78 PolarHBondContact O-N 2.85Å; R78-Q80 PolarHBondContact O-N 3.15Å; R78-D361 IonicContact NH2-OD1 3.21Å; R78-D361 PolarHBondContact NH2-OD1 3.4Å; R78-D361 IonicContact NH2-OD2 3.73Å
79V59.5Low79.6Confident112 Ų11293 Ų9368%0.67948%0.476SS*.  trans-61.1109.2170.5179.90000107.1H77 L81H77-V79 PolarHBondContact O-N 3.44Å; V79-L81 PolarHBondContact O-N 2.95Å
80Q63.3Low79.5Confident94 Ų9491.4 Ų91.444%0.43947%0.467SS..  trans-65.1107.4170.4-79.3179.4-25.800107.2R78 K82 R128 H131R78-Q80 PolarHBondContact O-N 3.15Å; Q80-K82 PolarHBondContact O-N 3.22Å; Q80-R128 PolarHBondContact NE2-O 3.24Å; Q80-H131 PolarHBondContact NE2-O 2.79Å
81L65.4Low79.5Confident130 Ų13096.4 Ų96.468%0.68149%0.493SS*.  trans-59110.4172.1-76160.2000107.5V79 V83V79-L81 PolarHBondContact O-N 2.95Å; L81-V83 PolarHBondContact O-N 3.08Å
82K74.4Confident79.6Confident182 Ų18293.3 Ų93.379%0.79147%0.472SS*.PPolyproline II helixtrans-55.1131.8172.6-77.8-173.6176.6-179.40108.2Q80Q80-K82 PolarHBondContact O-N 3.22Å
83V80.9Confident79.5Confident25 Ų2589.2 Ų89.215%0.15244%0.442CS..PPolyproline II helixtrans-65.7142.3176.1-164.10000109.3L81 H85 W122 R125 R126 Q129L81-V83 PolarHBondContact O-N 3.08Å; V83-H85 PolarHBondContact O-N 3.05Å; V83-W122 HydrophobicContact CG1-CB 4.4Å; V83-W122 HydrophobicContact CG1-CD2 3.99Å; V83-W122 HydrophobicContact CG1-CG 3.62Å; V83-R125 HydrophobicContact CG2-CB 3.66Å; V83-R126 HydrophobicContact CG2-CB 4.09Å; V83-Q129 VanDerWaalsContact N-OE1 3.14Å
84E81.4Confident79.5Confident165 Ų16591.9 Ų91.977%0.77146%0.458SS*.PPolyproline II helixtrans-56.7134.2172.8-169172.2-171.300110.2N86 W122E84-N86 PolarHBondContact O-N 3.12Å; E84-N86 VanDerWaalsContact O-N 3.14Å; E84-W122 PolarHBondContact O-NE1 3.13Å
85H82.3Confident79.7Confident160 Ų16093.1 Ų93.174%0.74145%0.454SS*.  trans-71.2111.3-174-174.570.4000110V83V83-H85 PolarHBondContact O-N 3.05Å
86N86Confident79.8Confident26 Ų2699.4 Ų99.414%0.13948%0.483CS..  trans-127.1109.4172-172.1-41000109.3E84 I88 L89 E90 L114E84-N86 PolarHBondContact O-N 3.12Å; E84-N86 VanDerWaalsContact O-N 3.14Å; N86-I88 VanDerWaalsContact C-N 3.26Å; N86-I88 PolarHBondContact O-N 3.32Å; N86-I88 WeakPolarHBondContact OD1-CB 3.41Å; N86-I88 PolarHBondContact OD1-N 3.31Å; N86-L89 HydrophobicContact CB-CB 4.2Å; N86-L89 HydrophobicContact CB-CD1 4.08Å; N86-L89 HydrophobicContact CB-CG 4.13Å; N86-L89 PolarHBondContact O-N 3.49Å; N86-L89 PolarHBondContact OD1-N 2.81Å; N86-E90 WeakPolarHBondContact O-CB 3.45Å; N86-E90 PolarHBondContact O-N 2.91Å; N86-L114 VanDerWaalsContact ND2-CD1 3.25Å; N86-L114 WeakPolarHBondContact ND2-CD1 3.24Å
87P87.5Confident80.4Confident83 Ų8390.8 Ų90.854%0.53946%0.457SS..Hα-helixtrans-65.6-28.6-173.926.2-34.3000112.8N91P87-N91 WeakPolarHBondContact O-CB 3.09Å; P87-N91 PolarHBondContact O-N 2.7Å
88I87.6Confident81.4Confident66 Ų6690 Ų9034%0.33845%0.452SS..Hα-helixtrans-70.6-46.2179.7-59.4172.5000110.1N86 Y92 L108 K111N86-I88 VanDerWaalsContact C-N 3.26Å; N86-I88 PolarHBondContact O-N 3.32Å; N86-I88 WeakPolarHBondContact OD1-CB 3.41Å; N86-I88 PolarHBondContact OD1-N 3.31Å; I88-Y92 PolarHBondContact O-N 3.28Å; I88-Y92 VanDerWaalsContact O-N 3.16Å; I88-L108 HydrophobicContact CG2-CD2 4.25Å; I88-K111 WeakPolarHBondContact CD1-O 3.4Å; I88-K111 HydrophobicContact CG2-CB 4.34Å
89L88.8Confident82.6Confident0 Ų085.4 Ų85.40%044%0.44CS..Hα-helixtrans-70.7-39.4179.6-59.1-178.6000111.6N86 Y92 Y93 L108 L114 I119 W122 F123N86-L89 HydrophobicContact CB-CB 4.2Å; N86-L89 HydrophobicContact CB-CD1 4.08Å; N86-L89 HydrophobicContact CB-CG 4.13Å; N86-L89 PolarHBondContact O-N 3.49Å; N86-L89 PolarHBondContact OD1-N 2.81Å; L89-Y92 PolarHBondContact O-N 3.5Å; L89-Y93 VanDerWaalsContact O-CB 3.3Å; L89-Y93 WeakPolarHBondContact O-CB 3.43Å; L89-Y93 PolarHBondContact O-N 2.84Å; L89-L108 HydrophobicContact CD2-CB 4.17Å; L89-L108 HydrophobicContact CD2-CD1 4.3Å; L89-L108 HydrophobicContact CD2-CD2 4.33Å; L89-L114 HydrophobicContact CD1-CD1 4.07Å; L89-I119 HydrophobicContact CD1-CG1 4.35Å; L89-I119 HydrophobicContact CD2-CD1 4.49Å; L89-I119 HydrophobicContact CD2-CG1 4.25Å; L89-I119 HydrophobicContact CD2-CG2 3.98Å; L89-W122 HydrophobicContact CB-CD2 3.77Å; L89-W122 HydrophobicContact CB-CE3 3.69Å; L89-W122 HydrophobicContact CB-CH2 3.8Å; L89-W122 HydrophobicContact CB-CZ2 3.82Å; L89-W122 HydrophobicContact CB-CZ3 3.71Å; L89-W122 HydrophobicContact CD1-CB 3.96Å; L89-W122 HydrophobicContact CD1-CD2 3.6Å; L89-W122 HydrophobicContact CD1-CE3 4.04Å; L89-W122 HydrophobicContact CD1-CG 3.52Å; L89-W122 HydrophobicContact CG-CD2 4.34Å; L89-W122 HydrophobicContact CG-CE3 4.45Å; L89-F123 HydrophobicContact CD2-CE2 4.06Å
90E89.8Confident83.9Confident52 Ų5281 Ų8124%0.24341%0.414CS..Hα-helixtrans-65.3-43.3176.7-165.567.4-155.900111.5N86 Y92 Y93 S94 W122 R126N86-E90 WeakPolarHBondContact O-CB 3.45Å; N86-E90 PolarHBondContact O-N 2.91Å; E90-Y92 PolarHBondContact O-N 2.57Å; E90-Y93 PolarHBondContact O-N 3.2Å; E90-S94 PolarHBondContact O-N 3.27Å; E90-S94 PolarHBondContact O-OG 3.1Å; E90-W122 HydrophobicContact CB-CH2 4.34Å; E90-W122 HydrophobicContact CB-CZ2 4.32Å; E90-W122 VanDerWaalsContact OE2-CH2 3.28Å; E90-W122 WeakPolarHBondContact OE2-CH2 3.13Å; E90-W122 VanDerWaalsContact OE2-CZ2 3.27Å; E90-W122 WeakPolarHBondContact OE2-CZ2 3.48Å; E90-R126 VanDerWaalsContact CD-NE 3.34Å; E90-R126 IonicContact OE1-CZ 3.28Å; E90-R126 VanDerWaalsContact OE1-CZ 3.28Å; E90-R126 IonicContact OE1-NE 2.95Å; E90-R126 PolarHBondContact OE1-NE 3.33Å; E90-R126 IonicContact OE1-NH2 2.76Å; E90-R126 PolarHBondContact OE1-NH2 3.05Å; E90-R126 WeakPolarHBondContact OE2-CD 3.34Å; E90-R126 IonicContact OE2-CZ 3.95Å; E90-R126 IonicContact OE2-NE 2.9Å; E90-R126 PolarHBondContact OE2-NE 2.98Å
91N89.8Confident85.1Confident105 Ų10582.7 Ų82.756%0.56143%0.425SS*.Hα-helixtrans-60.6-45.4176.6-173.129000111.4P87 S94 T95P87-N91 WeakPolarHBondContact O-CB 3.09Å; P87-N91 PolarHBondContact O-N 2.7Å; N91-S94 PolarHBondContact O-N 3.4Å; N91-T95 WeakPolarHBondContact O-CB 3.48Å; N91-T95 WeakPolarHBondContact O-CG2 3.45Å; N91-T95 PolarHBondContact O-N 3.4Å; N91-T95 VanDerWaalsContact O-N 3.1Å; N91-T95 PolarHBondContact O-OG1 3.12Å
92Y89.6Confident86.2Confident31 Ų3181.3 Ų81.312%0.12242%0.415CS..Hα-helixtrans-62.2-44.5175.5-175.4-80000111.8I88 L89 E90 S94 T95 H96 S97 P100 D104 L108 F123I88-Y92 PolarHBondContact O-N 3.28Å; I88-Y92 VanDerWaalsContact O-N 3.16Å; L89-Y92 PolarHBondContact O-N 3.5Å; E90-Y92 PolarHBondContact O-N 2.57Å; Y92-S94 VanDerWaalsContact C-N 3.33Å; Y92-S94 PolarHBondContact O-N 3.37Å; Y92-T95 PolarHBondContact O-N 3.46Å; Y92-H96 HydrophobicContact CD1-CB 4.28Å; Y92-H96 HydrophobicContact CD2-CB 3.97Å; Y92-H96 HydrophobicContact CE1-CB 4.08Å; Y92-H96 HydrophobicContact CE2-CB 3.79Å; Y92-H96 HydrophobicContact CG-CB 4.23Å; Y92-H96 PolarHBondContact O-N 3.01Å; Y92-S97 PolarHBondContact O-N 2.9Å; Y92-P100 HydrophobicContact CE1-CB 3.82Å; Y92-D104 HydrophobicContact CE2-CB 4.41Å; Y92-D104 WeakPolarHBondContact OH-CB 3.36Å; Y92-D104 VanDerWaalsContact OH-CG 3.25Å; Y92-D104 PolarHBondContact OH-OD2 3.16Å; Y92-D104 VanDerWaalsContact OH-OD2 3.1Å; Y92-L108 HydrophobicContact CD1-CD1 4.01Å; Y92-L108 HydrophobicContact CD2-CD1 4.13Å; Y92-L108 HydrophobicContact CD2-CD2 3.98Å; Y92-L108 HydrophobicContact CD2-CG 4.4Å; Y92-L108 HydrophobicContact CE1-CD1 4.29Å; Y92-L108 HydrophobicContact CE2-CD1 4.38Å; Y92-L108 HydrophobicContact CG-CD1 3.92Å; Y92-L108 HydrophobicContact CG-CD2 4.08Å; Y92-F123 AromaticContact CD1-CE1 3.97Å; Y92-F123 HydrophobicContact CD1-CE1 3.97Å; Y92-F123 AromaticContact CD1-CZ 3.67Å; Y92-F123 HydrophobicContact CD1-CZ 3.67Å; Y92-F123 HydrophobicContact CE1-CE1 4.45Å; Y92-F123 HydrophobicContact CE1-CZ 4.27Å; Y92-F123 HydrophobicContact CG-CZ 4.48Å
93Y88.4Confident86.8Confident10 Ų1076.3 Ų76.34%0.03941%0.408CS..Hα-helixtrans-61.1-39.5-179.9-174-93.7000112.9L89 E90 K98 W122 F123 R126 R127 D130L89-Y93 VanDerWaalsContact O-CB 3.3Å; L89-Y93 WeakPolarHBondContact O-CB 3.43Å; L89-Y93 PolarHBondContact O-N 2.84Å; E90-Y93 PolarHBondContact O-N 3.2Å; Y93-K98 HydrophobicContact CD2-CB 4.33Å; Y93-K98 HydrophobicContact CD2-CG 4.36Å; Y93-K98 HydrophobicContact CE1-CD 4.42Å; Y93-K98 HydrophobicContact CE1-CG 4.19Å; Y93-K98 HydrophobicContact CE2-CB 3.72Å; Y93-K98 HydrophobicContact CE2-CD 4.49Å; Y93-K98 HydrophobicContact CE2-CG 3.83Å; Y93-W122 HydrophobicContact CD2-CZ3 4.29Å; Y93-W122 HydrophobicContact CG-CH2 4.48Å; Y93-W122 HydrophobicContact CG-CZ3 4.35Å; Y93-F123 AromaticContact CD2-CD1 3.71Å; Y93-F123 HydrophobicContact CD2-CD1 3.71Å; Y93-F123 AromaticContact CD2-CE1 3.8Å; Y93-F123 HydrophobicContact CD2-CE1 3.8Å; Y93-F123 HydrophobicContact CE2-CD1 4.37Å; Y93-F123 HydrophobicContact CG-CE1 4.49Å; Y93-R126 HydrophobicContact CD1-CG 3.98Å; Y93-R126 HydrophobicContact CD2-CG 4.03Å; Y93-R126 HydrophobicContact CE1-CG 3.9Å; Y93-R126 HydrophobicContact CE2-CB 4.39Å; Y93-R126 HydrophobicContact CE2-CG 3.94Å; Y93-R126 HydrophobicContact CG-CG 4.05Å; Y93-R127 HydrophobicContact CE2-CG 3.83Å; Y93-D130 VanDerWaalsContact CE1-OD2 3.28Å; Y93-D130 WeakPolarHBondContact CE1-OD2 3.05Å; Y93-D130 PolarHBondContact OH-OD2 2.66Å
94S85.5Confident87.1Confident88 Ų8878.1 Ų78.162%0.61542%0.417SS*.Hα-helixtrans-79.1-27.7-179.9-620000114.1E90 N91 Y92E90-S94 PolarHBondContact O-N 3.27Å; E90-S94 PolarHBondContact O-OG 3.1Å; N91-S94 PolarHBondContact O-N 3.4Å; Y92-S94 VanDerWaalsContact C-N 3.33Å; Y92-S94 PolarHBondContact O-N 3.37Å
95T88Confident87.5Confident84 Ų8470.8 Ų70.852%0.51538%0.383SS..Hα-helixtrans-110.3-29-169.760.40000115N91 Y92N91-T95 WeakPolarHBondContact O-CB 3.48Å; N91-T95 WeakPolarHBondContact O-CG2 3.45Å; N91-T95 PolarHBondContact O-N 3.4Å; N91-T95 VanDerWaalsContact O-N 3.1Å; N91-T95 PolarHBondContact O-OG1 3.12Å; Y92-T95 PolarHBondContact O-N 3.46Å
96H86.8Confident87.7Confident144 Ų14466.8 Ų66.867%0.66737%0.367SS*.THydrogen-bonded Turntrans-112.2-70.5-173-72.763.5000112.2Y92Y92-H96 HydrophobicContact CD1-CB 4.28Å; Y92-H96 HydrophobicContact CD2-CB 3.97Å; Y92-H96 HydrophobicContact CE1-CB 4.08Å; Y92-H96 HydrophobicContact CE2-CB 3.79Å; Y92-H96 HydrophobicContact CG-CB 4.23Å; Y92-H96 PolarHBondContact O-N 3.01Å
97S86.1Confident87.8Confident41 Ų4167.1 Ų67.129%0.28738%0.376SS..  trans-154.6142.8-176179.90000112.5Y92 N99Y92-S97 PolarHBondContact O-N 2.9Å; S97-N99 PolarHBondContact OG-N 3.1Å; S97-N99 PolarHBondContact OG-O 3.06Å
98K85.7Confident87.9Confident115 Ų11563.6 Ų63.650%0.535%0.353SS..SBendtrans-79.9-22.4170-60.1-173.2178.7-169.20112.5Y93 P100 R127 D130Y93-K98 HydrophobicContact CD2-CB 4.33Å; Y93-K98 HydrophobicContact CD2-CG 4.36Å; Y93-K98 HydrophobicContact CE1-CD 4.42Å; Y93-K98 HydrophobicContact CE1-CG 4.19Å; Y93-K98 HydrophobicContact CE2-CB 3.72Å; Y93-K98 HydrophobicContact CE2-CD 4.49Å; Y93-K98 HydrophobicContact CE2-CG 3.83Å; K98-P100 WeakPolarHBondContact O-CD 3.41Å; K98-R127 WeakPolarHBondContact O-CD 3.48Å; K98-R127 PolarHBondContact O-NH1 2.87Å; K98-D130 IonicContact NZ-OD2 3.28Å
99N87.1Confident88Confident80 Ų8061.8 Ų61.843%0.42835%0.346SS..SBendtrans-122.579.6-179.8-71.3-20.5000108.7S97 R127S97-N99 PolarHBondContact OG-N 3.1Å; S97-N99 PolarHBondContact OG-O 3.06Å; N99-R127 WeakPolarHBondContact OD1-CD 3.44Å; N99-R127 PolarHBondContact OD1-NE 2.89Å; N99-R127 PolarHBondContact OD1-NH1 3.11Å; N99-R127 VanDerWaalsContact OD1-NH1 3.16Å
100P88.1Confident88.1Confident19 Ų1970.3 Ų70.312%0.12338%0.383CS..  trans-65.7141.8179.326.2-34.3000111.4Y92 K98 D104 I105 F123Y92-P100 HydrophobicContact CE1-CB 3.82Å; K98-P100 WeakPolarHBondContact O-CD 3.41Å; P100-D104 HydrophobicContact CB-CB 4.13Å; P100-I105 HydrophobicContact CB-CG1 3.95Å; P100-I105 HydrophobicContact CG-CD1 4.28Å; P100-I105 HydrophobicContact CG-CG1 3.88Å; P100-F123 HydrophobicContact CG-CD1 3.84Å; P100-F123 HydrophobicContact CG-CD2 3.88Å; P100-F123 HydrophobicContact CG-CE1 3.87Å; P100-F123 HydrophobicContact CG-CE2 3.9Å; P100-F123 HydrophobicContact CG-CG 3.87Å; P100-F123 HydrophobicContact CG-CZ 3.92Å
101L88.9Confident88Confident130 Ų13075.5 Ų75.568%0.68141%0.405SS*.  trans-73.3161.1171.5-73.5157.8000110.5A103 D104 I105L101-A103 PolarHBondContact O-N 3.42Å; L101-A103 VanDerWaalsContact O-N 3.15Å; L101-D104 WeakPolarHBondContact O-CB 3.3Å; L101-D104 PolarHBondContact O-N 2.96Å; L101-I105 WeakPolarHBondContact O-CG1 3.31Å; L101-I105 PolarHBondContact O-N 3.31Å
102Q87.8Confident87.7Confident101 Ų10171.3 Ų71.347%0.47238%0.384SS..Hα-helixtrans-58.2-34.4-176.7-160.764.927.100113.2D104 I105 N106Q102-D104 VanDerWaalsContact C-N 3.34Å; Q102-I105 PolarHBondContact O-N 3.43Å; Q102-N106 VanDerWaalsContact O-CG 3.3Å; Q102-N106 PolarHBondContact O-N 3.06Å; Q102-N106 VanDerWaalsContact O-N 3.13Å; Q102-N106 PolarHBondContact O-ND2 3.45Å
103A86.6Confident87.5Confident77 Ų7775.2 Ų75.264%0.63642%0.416SS*.Hα-helixtrans-62.1-41.3175.300000112.2L101 N106 G107L101-A103 PolarHBondContact O-N 3.42Å; L101-A103 VanDerWaalsContact O-N 3.15Å; A103-N106 PolarHBondContact O-N 3.03Å; A103-G107 PolarHBondContact O-N 2.84Å; A103-G107 VanDerWaalsContact O-N 3.12Å
104D87.7Confident87.4Confident63 Ų6376.9 Ų76.934%0.33743%0.425SS..Hα-helixtrans-70.3-39.2178.8-61.6-43.4000111.6Y92 P100 L101 Q102 N106 G107 L108Y92-D104 HydrophobicContact CE2-CB 4.41Å; Y92-D104 WeakPolarHBondContact OH-CB 3.36Å; Y92-D104 VanDerWaalsContact OH-CG 3.25Å; Y92-D104 PolarHBondContact OH-OD2 3.16Å; Y92-D104 VanDerWaalsContact OH-OD2 3.1Å; P100-D104 HydrophobicContact CB-CB 4.13Å; L101-D104 WeakPolarHBondContact O-CB 3.3Å; L101-D104 PolarHBondContact O-N 2.96Å; Q102-D104 VanDerWaalsContact C-N 3.34Å; D104-N106 VanDerWaalsContact C-N 3.28Å; D104-N106 PolarHBondContact O-N 3.15Å; D104-G107 PolarHBondContact O-N 3.4Å; D104-G107 VanDerWaalsContact O-N 3.15Å; D104-L108 WeakPolarHBondContact O-CB 3.35Å; D104-L108 VanDerWaalsContact O-CG 3.31Å; D104-L108 WeakPolarHBondContact O-CG 3.47Å; D104-L108 PolarHBondContact O-N 2.93Å
105I88.9Confident87.7Confident11 Ų1175.9 Ų75.96%0.05642%0.417CS..Hα-helixtrans-60.3-41.2175.9-60.9172.9000110.3P100 L101 Q102 L108 S109 V116 I119 E120P100-I105 HydrophobicContact CB-CG1 3.95Å; P100-I105 HydrophobicContact CG-CD1 4.28Å; P100-I105 HydrophobicContact CG-CG1 3.88Å; L101-I105 WeakPolarHBondContact O-CG1 3.31Å; L101-I105 PolarHBondContact O-N 3.31Å; Q102-I105 PolarHBondContact O-N 3.43Å; I105-L108 PolarHBondContact O-N 3.08Å; I105-S109 WeakPolarHBondContact O-CB 3.07Å; I105-S109 PolarHBondContact O-N 3.5Å; I105-V116 HydrophobicContact CG2-CB 4.43Å; I105-V116 HydrophobicContact CG2-CG1 3.71Å; I105-I119 HydrophobicContact CG2-CB 4.25Å; I105-I119 HydrophobicContact CG2-CG2 3.97Å; I105-E120 HydrophobicContact CD1-CG 3.99Å; I105-E120 HydrophobicContact CG2-CG 4.35Å
106N87.5Confident87.8Confident77 Ų7773.8 Ų73.841%0.41240%0.404SS..Hα-helixtrans-65.3-39.6176-68.8-23.3000112Q102 A103 D104 S109 K110Q102-N106 VanDerWaalsContact O-CG 3.3Å; Q102-N106 PolarHBondContact O-N 3.06Å; Q102-N106 VanDerWaalsContact O-N 3.13Å; Q102-N106 PolarHBondContact O-ND2 3.45Å; A103-N106 PolarHBondContact O-N 3.03Å; D104-N106 VanDerWaalsContact C-N 3.28Å; D104-N106 PolarHBondContact O-N 3.15Å; N106-S109 PolarHBondContact O-N 3.04Å; N106-K110 PolarHBondContact O-N 3.29Å
107G88.7Confident87.8Confident32 Ų3276.1 Ų76.133%0.3341%0.406SS..Hα-helixtrans-63.9-41.7173.700000112.8A103 D104 K110 K111A103-G107 PolarHBondContact O-N 2.84Å; A103-G107 VanDerWaalsContact O-N 3.12Å; D104-G107 PolarHBondContact O-N 3.4Å; D104-G107 VanDerWaalsContact O-N 3.15Å; G107-K110 PolarHBondContact O-N 2.96Å; G107-K111 WeakPolarHBondContact O-CG 3.23Å; G107-K111 PolarHBondContact O-N 3.07Å
108L88.6Confident87.9Confident9 Ų978.9 Ų78.95%0.04742%0.415CS..Hα-helixtrans-67.8-35176.4-71169.6000112.1I88 L89 Y92 D104 I105 K110 K111 S112 I119 F123I88-L108 HydrophobicContact CG2-CD2 4.25Å; L89-L108 HydrophobicContact CD2-CB 4.17Å; L89-L108 HydrophobicContact CD2-CD1 4.3Å; L89-L108 HydrophobicContact CD2-CD2 4.33Å; Y92-L108 HydrophobicContact CD1-CD1 4.01Å; Y92-L108 HydrophobicContact CD2-CD1 4.13Å; Y92-L108 HydrophobicContact CD2-CD2 3.98Å; Y92-L108 HydrophobicContact CD2-CG 4.4Å; Y92-L108 HydrophobicContact CE1-CD1 4.29Å; Y92-L108 HydrophobicContact CE2-CD1 4.38Å; Y92-L108 HydrophobicContact CG-CD1 3.92Å; Y92-L108 HydrophobicContact CG-CD2 4.08Å; D104-L108 WeakPolarHBondContact O-CB 3.35Å; D104-L108 VanDerWaalsContact O-CG 3.31Å; D104-L108 WeakPolarHBondContact O-CG 3.47Å; D104-L108 PolarHBondContact O-N 2.93Å; I105-L108 PolarHBondContact O-N 3.08Å; L108-K110 VanDerWaalsContact C-N 3.35Å; L108-K110 PolarHBondContact O-N 3.27Å; L108-K111 PolarHBondContact O-N 2.86Å; L108-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-S112 PolarHBondContact O-OG 3.22Å; L108-I119 HydrophobicContact CB-CD1 4.14Å; L108-F123 HydrophobicContact CD1-CE2 3.76Å; L108-F123 HydrophobicContact CD1-CZ 3.81Å
109S90.4Very high88.1Confident28 Ų2873.4 Ų73.420%0.19639%0.391CS..Hα-helixtrans-59.8-44.5174-1770000111.8I105 N106 K111 S113 L114 I119I105-S109 WeakPolarHBondContact O-CB 3.07Å; I105-S109 PolarHBondContact O-N 3.5Å; N106-S109 PolarHBondContact O-N 3.04Å; S109-K111 PolarHBondContact O-N 3.31Å; S109-S113 WeakPolarHBondContact O-CA 3.33Å; S109-S113 PolarHBondContact O-N 3.39Å; S109-S113 VanDerWaalsContact O-N 3.07Å; S109-L114 WeakPolarHBondContact CA-O 3.36Å; S109-L114 WeakPolarHBondContact CB-O 3.42Å; S109-L114 PolarHBondContact OG-O 3.25Å; S109-I119 VanDerWaalsContact N-CD1 3.29Å
110K89.3Confident88.1Confident180 Ų18072.1 Ų72.178%0.78338%0.382SS*.Hα-helixtrans-64-40.7175.8-67.8179.2-178.8-178.90112.7N106 G107 L108N106-K110 PolarHBondContact O-N 3.29Å; G107-K110 PolarHBondContact O-N 2.96Å; L108-K110 VanDerWaalsContact C-N 3.35Å; L108-K110 PolarHBondContact O-N 3.27Å
111K88.1Confident88.2Confident161 Ų16178 Ų7870%0.740%0.402SS*.Hα-helixtrans-75.4-34.9-177.6-71.6179.3-179.8179.80113.9I88 G107 L108 S109I88-K111 WeakPolarHBondContact CD1-O 3.4Å; I88-K111 HydrophobicContact CG2-CB 4.34Å; G107-K111 WeakPolarHBondContact O-CG 3.23Å; G107-K111 PolarHBondContact O-N 3.07Å; L108-K111 PolarHBondContact O-N 2.86Å; S109-K111 PolarHBondContact O-N 3.31Å
112S83.5Confident88.2Confident17 Ų1772.6 Ų72.612%0.11937%0.373CS..Hα-helixtrans-98.1-4.5-174.862.20000113.9L108 L114L108-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 PolarHBondContact O-N 3.37Å; L108-S112 PolarHBondContact O-OG 3.22Å; S112-L114 PolarHBondContact O-N 3.29Å
113S85.4Confident88.3Confident112 Ų11268 Ų6878%0.78335%0.351SS*.THydrogen-bonded Turntrans54.321.7-173.2-54.70000113.7S109S109-S113 WeakPolarHBondContact O-CA 3.33Å; S109-S113 PolarHBondContact O-N 3.39Å; S109-S113 VanDerWaalsContact O-N 3.07Å
114L86.9Confident88.2Confident46 Ų4669.4 Ų69.424%0.24134%0.34CS..  trans-99.9145.6177.2-65.7177.8000110.7N86 L89 S109 S112 I119N86-L114 VanDerWaalsContact ND2-CD1 3.25Å; N86-L114 WeakPolarHBondContact ND2-CD1 3.24Å; L89-L114 HydrophobicContact CD1-CD1 4.07Å; S109-L114 WeakPolarHBondContact CA-O 3.36Å; S109-L114 WeakPolarHBondContact CB-O 3.42Å; S109-L114 PolarHBondContact OG-O 3.25Å; S112-L114 PolarHBondContact O-N 3.29Å; L114-I119 HydrophobicContact CB-CD1 4.21Å; L114-I119 HydrophobicContact CB-CG1 3.98Å
115P91.1Very high88Confident67 Ų6772.2 Ų72.244%0.43535%0.346SS..  trans-66.2144.9173.227.7-33.4000111R117 Q118 I119P115-R117 PolarHBondContact O-N 3.34Å; P115-R117 VanDerWaalsContact O-N 3.11Å; P115-Q118 HydrophobicContact CG-CB 3.9Å; P115-Q118 VanDerWaalsContact CG-CD 3.45Å; P115-Q118 HydrophobicContact CG-CG 3.64Å; P115-Q118 WeakPolarHBondContact O-CA 3.18Å; P115-Q118 WeakPolarHBondContact O-CB 3.24Å; P115-Q118 PolarHBondContact O-N 3.38Å; P115-I119 PolarHBondContact O-N 3.31Å
116V89.9Confident87.9Confident40 Ų4073.4 Ų73.424%0.24235%0.35CS..Hα-helixtrans-45.2-46.4179.5173.90000112.4I105 Q118 I119 E120I105-V116 HydrophobicContact CG2-CB 4.43Å; I105-V116 HydrophobicContact CG2-CG1 3.71Å; V116-Q118 VanDerWaalsContact C-N 3.32Å; V116-Q118 PolarHBondContact O-N 3.36Å; V116-I119 WeakPolarHBondContact O-CB 3.28Å; V116-I119 PolarHBondContact O-N 3.31Å; V116-I119 VanDerWaalsContact O-N 3.12Å; V116-E120 WeakPolarHBondContact CG1-OE1 3.41Å; V116-E120 PolarHBondContact O-N 2.79Å
117R88.1Confident87.9Confident193 Ų19372.7 Ų72.773%0.72834%0.341SS*.Hα-helixtrans-61.3-35178.7-73.3-177172.4171.5-1.6113.8P115 R121P115-R117 PolarHBondContact O-N 3.34Å; P115-R117 VanDerWaalsContact O-N 3.11Å; R117-R121 WeakPolarHBondContact O-CB 3.39Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.3Å; R117-R121 PolarHBondContact O-N 2.96Å
118Q87.8Confident87.3Confident98 Ų9878.1 Ų78.146%0.45835%0.352SS..Hα-helixtrans-71.9-36.8176.6-77.2-179.67.900110.8P115 V116 R121 W122P115-Q118 HydrophobicContact CG-CB 3.9Å; P115-Q118 VanDerWaalsContact CG-CD 3.45Å; P115-Q118 HydrophobicContact CG-CG 3.64Å; P115-Q118 WeakPolarHBondContact O-CA 3.18Å; P115-Q118 WeakPolarHBondContact O-CB 3.24Å; P115-Q118 PolarHBondContact O-N 3.38Å; V116-Q118 VanDerWaalsContact C-N 3.32Å; V116-Q118 PolarHBondContact O-N 3.36Å; Q118-R121 PolarHBondContact O-N 3.4Å; Q118-W122 VanDerWaalsContact O-CB 3.29Å; Q118-W122 WeakPolarHBondContact O-CB 3.18Å; Q118-W122 PolarHBondContact O-N 3.17Å
119I89Confident86.8Confident0 Ų080.8 Ų80.80%036%0.364CS..Hα-helixtrans-64.8-49.3175.1-64.3173.7000110.5L89 I105 L108 S109 L114 P115 V116 R121 W122 F123L89-I119 HydrophobicContact CD1-CG1 4.35Å; L89-I119 HydrophobicContact CD2-CD1 4.49Å; L89-I119 HydrophobicContact CD2-CG1 4.25Å; L89-I119 HydrophobicContact CD2-CG2 3.98Å; I105-I119 HydrophobicContact CG2-CB 4.25Å; I105-I119 HydrophobicContact CG2-CG2 3.97Å; L108-I119 HydrophobicContact CB-CD1 4.14Å; S109-I119 VanDerWaalsContact N-CD1 3.29Å; L114-I119 HydrophobicContact CB-CD1 4.21Å; L114-I119 HydrophobicContact CB-CG1 3.98Å; P115-I119 PolarHBondContact O-N 3.31Å; V116-I119 WeakPolarHBondContact O-CB 3.28Å; V116-I119 PolarHBondContact O-N 3.31Å; V116-I119 VanDerWaalsContact O-N 3.12Å; I119-R121 VanDerWaalsContact C-N 3.27Å; I119-R121 PolarHBondContact O-N 3.45Å; I119-W122 WeakPolarHBondContact O-CA 3.4Å; I119-W122 WeakPolarHBondContact O-CB 3.47Å; I119-W122 PolarHBondContact O-N 2.82Å; I119-F123 HydrophobicContact CG2-CD2 3.6Å; I119-F123 HydrophobicContact CG2-CE2 3.55Å; I119-F123 WeakPolarHBondContact O-CD2 3.37Å; I119-F123 PolarHBondContact O-N 3.17Å
120E88.5Confident86Confident54 Ų5482.6 Ų82.625%0.25237%0.372SS..Hα-helixtrans-57.1-40.2174.5-73.2170.6-171.600112.5I105 V116 R124I105-E120 HydrophobicContact CD1-CG 3.99Å; I105-E120 HydrophobicContact CG2-CG 4.35Å; V116-E120 WeakPolarHBondContact CG1-OE1 3.41Å; V116-E120 PolarHBondContact O-N 2.79Å; E120-R124 WeakPolarHBondContact O-CB 3.23Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.34Å; E120-R124 PolarHBondContact O-N 3.28Å; E120-R124 PolarHBondContact O-NE 2.88Å
121R88.8Confident85.1Confident142 Ų14278.2 Ų78.254%0.53635%0.354SS..Hα-helixtrans-67.4-39.9174.9-78.2176-179.1-175.11111.5R117 Q118 I119 R125R117-R121 WeakPolarHBondContact O-CB 3.39Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.3Å; R117-R121 PolarHBondContact O-N 2.96Å; Q118-R121 PolarHBondContact O-N 3.4Å; I119-R121 VanDerWaalsContact C-N 3.27Å; I119-R121 PolarHBondContact O-N 3.45Å; R121-R125 WeakPolarHBondContact O-CB 3.27Å; R121-R125 VanDerWaalsContact O-CG 3.23Å; R121-R125 WeakPolarHBondContact O-CG 3.3Å; R121-R125 PolarHBondContact O-N 3.34Å
122W90.2Very high84.3Confident17 Ų1772.3 Ų72.36%0.06433%0.331CS..Hα-helixtrans-60.8-52.6176.9-174.3103.7000109.9V83 E84 L89 E90 Y93 Q118 I119 R124 R125 R126V83-W122 HydrophobicContact CG1-CB 4.4Å; V83-W122 HydrophobicContact CG1-CD2 3.99Å; V83-W122 HydrophobicContact CG1-CG 3.62Å; E84-W122 PolarHBondContact O-NE1 3.13Å; L89-W122 HydrophobicContact CB-CD2 3.77Å; L89-W122 HydrophobicContact CB-CE3 3.69Å; L89-W122 HydrophobicContact CB-CH2 3.8Å; L89-W122 HydrophobicContact CB-CZ2 3.82Å; L89-W122 HydrophobicContact CB-CZ3 3.71Å; L89-W122 HydrophobicContact CD1-CB 3.96Å; L89-W122 HydrophobicContact CD1-CD2 3.6Å; L89-W122 HydrophobicContact CD1-CE3 4.04Å; L89-W122 HydrophobicContact CD1-CG 3.52Å; L89-W122 HydrophobicContact CG-CD2 4.34Å; L89-W122 HydrophobicContact CG-CE3 4.45Å; E90-W122 HydrophobicContact CB-CH2 4.34Å; E90-W122 HydrophobicContact CB-CZ2 4.32Å; E90-W122 VanDerWaalsContact OE2-CH2 3.28Å; E90-W122 WeakPolarHBondContact OE2-CH2 3.13Å; E90-W122 VanDerWaalsContact OE2-CZ2 3.27Å; E90-W122 WeakPolarHBondContact OE2-CZ2 3.48Å; Y93-W122 HydrophobicContact CD2-CZ3 4.29Å; Y93-W122 HydrophobicContact CG-CH2 4.48Å; Y93-W122 HydrophobicContact CG-CZ3 4.35Å; Q118-W122 VanDerWaalsContact O-CB 3.29Å; Q118-W122 WeakPolarHBondContact O-CB 3.18Å; Q118-W122 PolarHBondContact O-N 3.17Å; I119-W122 WeakPolarHBondContact O-CA 3.4Å; I119-W122 WeakPolarHBondContact O-CB 3.47Å; I119-W122 PolarHBondContact O-N 2.82Å; W122-R124 PolarHBondContact O-N 3.1Å; W122-R125 PolarHBondContact O-N 3.4Å; W122-R125 VanDerWaalsContact O-N 3.16Å; W122-R126 HydrophobicContact CE3-CB 4.1Å; W122-R126 HydrophobicContact CH2-CB 4.04Å; W122-R126 HydrophobicContact CH2-CG 3.63Å; W122-R126 HydrophobicContact CZ2-CB 4.49Å; W122-R126 HydrophobicContact CZ2-CG 4.25Å; W122-R126 HydrophobicContact CZ3-CB 3.85Å; W122-R126 HydrophobicContact CZ3-CG 3.83Å; W122-R126 VanDerWaalsContact O-CB 3.25Å; W122-R126 WeakPolarHBondContact O-CB 3.21Å; W122-R126 PolarHBondContact O-N 3.28Å
123F88.4Confident84.1Confident3 Ų373 Ų731%0.01334%0.342CS..Hα-helixtrans-60.5-45.3177.9-84.4-82.2000111.9L89 Y92 Y93 P100 L108 I119 R125 R126 R127L89-F123 HydrophobicContact CD2-CE2 4.06Å; Y92-F123 AromaticContact CD1-CE1 3.97Å; Y92-F123 HydrophobicContact CD1-CE1 3.97Å; Y92-F123 AromaticContact CD1-CZ 3.67Å; Y92-F123 HydrophobicContact CD1-CZ 3.67Å; Y92-F123 HydrophobicContact CE1-CE1 4.45Å; Y92-F123 HydrophobicContact CE1-CZ 4.27Å; Y92-F123 HydrophobicContact CG-CZ 4.48Å; Y93-F123 AromaticContact CD2-CD1 3.71Å; Y93-F123 HydrophobicContact CD2-CD1 3.71Å; Y93-F123 AromaticContact CD2-CE1 3.8Å; Y93-F123 HydrophobicContact CD2-CE1 3.8Å; Y93-F123 HydrophobicContact CE2-CD1 4.37Å; Y93-F123 HydrophobicContact CG-CE1 4.49Å; P100-F123 HydrophobicContact CG-CD1 3.84Å; P100-F123 HydrophobicContact CG-CD2 3.88Å; P100-F123 HydrophobicContact CG-CE1 3.87Å; P100-F123 HydrophobicContact CG-CE2 3.9Å; P100-F123 HydrophobicContact CG-CG 3.87Å; P100-F123 HydrophobicContact CG-CZ 3.92Å; L108-F123 HydrophobicContact CD1-CE2 3.76Å; L108-F123 HydrophobicContact CD1-CZ 3.81Å; I119-F123 HydrophobicContact CG2-CD2 3.6Å; I119-F123 HydrophobicContact CG2-CE2 3.55Å; I119-F123 WeakPolarHBondContact O-CD2 3.37Å; I119-F123 PolarHBondContact O-N 3.17Å; F123-R125 PolarHBondContact O-N 3.47Å; F123-R126 PolarHBondContact O-N 2.99Å; F123-R127 WeakPolarHBondContact O-CB 3.12Å; F123-R127 WeakPolarHBondContact O-CG 3.5Å; F123-R127 PolarHBondContact O-N 2.92Å
124R85.5Confident84Confident108 Ų10869.9 Ų69.941%0.40832%0.318SS..Hα-helixtrans-59.9-42.1175-78.5-175.5-73.9-179.3-12.3112.9E120 W122 R128E120-R124 WeakPolarHBondContact O-CB 3.23Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.34Å; E120-R124 PolarHBondContact O-N 3.28Å; E120-R124 PolarHBondContact O-NE 2.88Å; W122-R124 PolarHBondContact O-N 3.1Å; R124-R128 WeakPolarHBondContact O-CG 2.99Å; R124-R128 PolarHBondContact O-N 2.88Å
125R84.3Confident83.9Confident121 Ų12168.5 Ų68.546%0.45731%0.311SS..Hα-helixtrans-69.9-39.3177.1-73.1175.1178.6-178.1-1111.5V83 R121 W122 F123 R128 Q129V83-R125 HydrophobicContact CG2-CB 3.66Å; R121-R125 WeakPolarHBondContact O-CB 3.27Å; R121-R125 VanDerWaalsContact O-CG 3.23Å; R121-R125 WeakPolarHBondContact O-CG 3.3Å; R121-R125 PolarHBondContact O-N 3.34Å; W122-R125 PolarHBondContact O-N 3.4Å; W122-R125 VanDerWaalsContact O-N 3.16Å; F123-R125 PolarHBondContact O-N 3.47Å; R125-R128 PolarHBondContact O-N 3.27Å; R125-Q129 WeakPolarHBondContact O-CB 3.49Å; R125-Q129 PolarHBondContact O-N 3Å
126R86.4Confident83.7Confident36 Ų3669.6 Ų69.614%0.13631%0.308CS..Hα-helixtrans-66.6-41.3-179.1-175.767.8-172.175.63.1111.6V83 E90 Y93 W122 F123 Q129 D130V83-R126 HydrophobicContact CG2-CB 4.09Å; E90-R126 VanDerWaalsContact CD-NE 3.34Å; E90-R126 IonicContact OE1-CZ 3.28Å; E90-R126 VanDerWaalsContact OE1-CZ 3.28Å; E90-R126 IonicContact OE1-NE 2.95Å; E90-R126 PolarHBondContact OE1-NE 3.33Å; E90-R126 IonicContact OE1-NH2 2.76Å; E90-R126 PolarHBondContact OE1-NH2 3.05Å; E90-R126 WeakPolarHBondContact OE2-CD 3.34Å; E90-R126 IonicContact OE2-CZ 3.95Å; E90-R126 IonicContact OE2-NE 2.9Å; E90-R126 PolarHBondContact OE2-NE 2.98Å; Y93-R126 HydrophobicContact CD1-CG 3.98Å; Y93-R126 HydrophobicContact CD2-CG 4.03Å; Y93-R126 HydrophobicContact CE1-CG 3.9Å; Y93-R126 HydrophobicContact CE2-CB 4.39Å; Y93-R126 HydrophobicContact CE2-CG 3.94Å; Y93-R126 HydrophobicContact CG-CG 4.05Å; W122-R126 HydrophobicContact CE3-CB 4.1Å; W122-R126 HydrophobicContact CH2-CB 4.04Å; W122-R126 HydrophobicContact CH2-CG 3.63Å; W122-R126 HydrophobicContact CZ2-CB 4.49Å; W122-R126 HydrophobicContact CZ2-CG 4.25Å; W122-R126 HydrophobicContact CZ3-CB 3.85Å; W122-R126 HydrophobicContact CZ3-CG 3.83Å; W122-R126 VanDerWaalsContact O-CB 3.25Å; W122-R126 WeakPolarHBondContact O-CB 3.21Å; W122-R126 PolarHBondContact O-N 3.28Å; F123-R126 PolarHBondContact O-N 2.99Å; R126-Q129 WeakPolarHBondContact O-CB 3.37Å; R126-Q129 PolarHBondContact O-N 2.71Å; R126-D130 IonicContact CZ-OD1 3.32Å; R126-D130 VanDerWaalsContact NH1-CG 3.31Å; R126-D130 IonicContact NH1-OD1 2.66Å; R126-D130 PolarHBondContact NH1-OD1 3.16Å; R126-D130 IonicContact NH1-OD2 3.7Å; R126-D130 IonicContact NH2-OD1 3.1Å; R126-D130 PolarHBondContact O-N 3.5Å; R126-D130 VanDerWaalsContact O-N 3.15Å
127R86Confident83.6Confident62 Ų6269.2 Ų69.223%0.23430%0.304CS..Hα-helixtrans-60.1-50169.9-72.1-165.2-62.2-94.512.3111.5Y93 K98 N99 F123 Q129 D130 H131Y93-R127 HydrophobicContact CE2-CG 3.83Å; K98-R127 WeakPolarHBondContact O-CD 3.48Å; K98-R127 PolarHBondContact O-NH1 2.87Å; N99-R127 WeakPolarHBondContact OD1-CD 3.44Å; N99-R127 PolarHBondContact OD1-NE 2.89Å; N99-R127 PolarHBondContact OD1-NH1 3.11Å; N99-R127 VanDerWaalsContact OD1-NH1 3.16Å; F123-R127 WeakPolarHBondContact O-CB 3.12Å; F123-R127 WeakPolarHBondContact O-CG 3.5Å; F123-R127 PolarHBondContact O-N 2.92Å; R127-Q129 PolarHBondContact O-N 3.02Å; R127-D130 WeakPolarHBondContact O-CB 3.49Å; R127-D130 PolarHBondContact O-N 3.08Å; R127-H131 PolarHBondContact O-CD2 3.24Å; R127-H131 PolarHBondContact O-N 2.93Å
128R77.8Confident83.8Confident146 Ų14660.4 Ų60.455%0.55127%0.271SS*.Hα-helixtrans-59.9-28.4175.9-79.2-170.2-68-108.3-2.4113.9Q80 R124 R125 H131Q80-R128 PolarHBondContact NE2-O 3.24Å; R124-R128 WeakPolarHBondContact O-CG 2.99Å; R124-R128 PolarHBondContact O-N 2.88Å; R125-R128 PolarHBondContact O-N 3.27Å; R128-H131 PolarHBondContact O-N 2.95Å
129Q78.1Confident83.9Confident65 Ų6558.9 Ų58.930%0.30426%0.261SS..Hα-helixtrans-74.9-28.9175.2-169.4176.7-15.200112.6V83 R125 R126 R127 H131V83-Q129 VanDerWaalsContact N-OE1 3.14Å; R125-Q129 WeakPolarHBondContact O-CB 3.49Å; R125-Q129 PolarHBondContact O-N 3Å; R126-Q129 WeakPolarHBondContact O-CB 3.37Å; R126-Q129 PolarHBondContact O-N 2.71Å; R127-Q129 PolarHBondContact O-N 3.02Å; Q129-H131 VanDerWaalsContact C-N 3.29Å
130D74Confident84Confident67 Ų6759 Ų5936%0.35826%0.261SS..Hα-helixtrans-69.8-27.9171-81.6-12.1000112.1Y93 K98 R126 R127Y93-D130 VanDerWaalsContact CE1-OD2 3.28Å; Y93-D130 WeakPolarHBondContact CE1-OD2 3.05Å; Y93-D130 PolarHBondContact OH-OD2 2.66Å; K98-D130 IonicContact NZ-OD2 3.28Å; R126-D130 IonicContact CZ-OD1 3.32Å; R126-D130 VanDerWaalsContact NH1-CG 3.31Å; R126-D130 IonicContact NH1-OD1 2.66Å; R126-D130 PolarHBondContact NH1-OD1 3.16Å; R126-D130 IonicContact NH1-OD2 3.7Å; R126-D130 IonicContact NH2-OD1 3.1Å; R126-D130 PolarHBondContact O-N 3.5Å; R126-D130 VanDerWaalsContact O-N 3.15Å; R127-D130 WeakPolarHBondContact O-CB 3.49Å; R127-D130 PolarHBondContact O-N 3.08Å
131H69.3Low84.2Confident88 Ų8856.4 Ų56.441%0.40725%0.249SC..SBendtrans-76.4126.7177.7-71.2-76.4000110.9Q80 R127 R128 Q129 G133Q80-H131 PolarHBondContact NE2-O 2.79Å; R127-H131 PolarHBondContact O-CD2 3.24Å; R127-H131 PolarHBondContact O-N 2.93Å; R128-H131 PolarHBondContact O-N 2.95Å; Q129-H131 VanDerWaalsContact C-N 3.29Å; H131-G133 PolarHBondContact O-N 3.33Å
132P70.9Confident84.4Confident36 Ų3649.8 Ų49.823%0.23423%0.225CC..PPolyproline II helixtrans-69.9136.4179.422.5-24.9000110.3K136 K137 V206P132-K136 HydrophobicContact CB-CD 4.42Å; P132-K137 WeakPolarHBondContact O-CE 3.33Å; P132-V206 HydrophobicContact CB-CB 4.42Å; P132-V206 HydrophobicContact CB-CG1 4.34Å; P132-V206 HydrophobicContact CB-CG2 3.35Å; P132-V206 HydrophobicContact CG-CB 3.87Å; P132-V206 HydrophobicContact CG-CG1 3.3Å; P132-V206 HydrophobicContact CG-CG2 3.3Å
133G79.1Confident84.7Confident33 Ų3349.5 Ų49.534%0.3422%0.224SC..PPolyproline II helixtrans-59.1147.2179.400000112.7H131 L135 K136 K137H131-G133 PolarHBondContact O-N 3.33Å; G133-L135 PolarHBondContact O-N 3.42Å; G133-L135 VanDerWaalsContact O-N 3.15Å; G133-K136 WeakPolarHBondContact O-CB 3.38Å; G133-K136 PolarHBondContact O-N 3.02Å; G133-K137 PolarHBondContact O-N 2.86Å
134V83.6Confident84.9Confident45 Ų4550.8 Ų50.827%0.27323%0.228SC..Hα-helixtrans-52.3-37.7179.2-179.90000111.8I75 K136 K137 F138 Y259I75-V134 HydrophobicContact CG2-CG1 4.19Å; V134-K136 PolarHBondContact O-N 2.84Å; V134-K137 PolarHBondContact O-N 3.35Å; V134-F138 WeakPolarHBondContact O-CB 3.44Å; V134-F138 PolarHBondContact O-N 2.78Å; V134-Y259 HydrophobicContact CG1-CD1 4.14Å; V134-Y259 HydrophobicContact CG1-CG 4.18Å
135L86.1Confident85.4Confident18 Ų1848 Ų489%0.09422%0.219CC..Hα-helixtrans-60.3-40.4176.6-17962.5000113.2A70 I75 H77 G133 F138 R139A70-L135 HydrophobicContact CB-CD1 3.37Å; I75-L135 HydrophobicContact CG2-CB 4.49Å; H77-L135 HydrophobicContact CB-CD2 4.29Å; G133-L135 PolarHBondContact O-N 3.42Å; G133-L135 VanDerWaalsContact O-N 3.15Å; L135-F138 PolarHBondContact O-N 3.27Å; L135-R139 HydrophobicContact CD1-CG 4.47Å; L135-R139 VanDerWaalsContact O-CG 3.29Å; L135-R139 WeakPolarHBondContact O-CG 3.46Å; L135-R139 PolarHBondContact O-N 3.41Å
136K86.8Confident86Confident89 Ų8944.8 Ų44.839%0.38721%0.213SC..Hα-helixtrans-64.5-47.5176.5-177176174.3179.80109.7P132 G133 V134 F138 R139 E140 F204 V206P132-K136 HydrophobicContact CB-CD 4.42Å; G133-K136 WeakPolarHBondContact O-CB 3.38Å; G133-K136 PolarHBondContact O-N 3.02Å; V134-K136 PolarHBondContact O-N 2.84Å; K136-F138 VanDerWaalsContact C-N 3.31Å; K136-F138 PolarHBondContact O-N 3.43Å; K136-R139 PolarHBondContact O-N 3.32Å; K136-E140 WeakPolarHBondContact CE-OE1 3.48Å; K136-E140 VanDerWaalsContact O-CG 3.32Å; K136-E140 WeakPolarHBondContact O-CG 3.16Å; K136-E140 PolarHBondContact O-N 3.49Å; K136-F204 PolarHBondContact NZ-O 3.45Å; K136-V206 HydrophobicContact CD-CG2 4.14Å; K136-V206 HydrophobicContact CG-CG2 4.34Å
137K87.9Confident86.4Confident33 Ų3344 Ų4414%0.14321%0.211CC..Hα-helixtrans-59.2-40.8177.3-60.3178.8-176.4173.30112.1P132 G133 V134 A141 V206 Y259P132-K137 WeakPolarHBondContact O-CE 3.33Å; G133-K137 PolarHBondContact O-N 2.86Å; V134-K137 PolarHBondContact O-N 3.35Å; K137-A141 WeakPolarHBondContact O-CB 3.31Å; K137-A141 PolarHBondContact O-N 3.46Å; K137-V206 HydrophobicContact CG-CG2 4.31Å; K137-Y259 HydrophobicContact CB-CD2 4.4Å; K137-Y259 HydrophobicContact CB-CE1 4.22Å; K137-Y259 HydrophobicContact CB-CE2 3.75Å; K137-Y259 HydrophobicContact CD-CE1 4.22Å
138F90.4Very high86.8Confident8 Ų841.6 Ų41.64%0.03520%0.201CC..Hα-helixtrans-64.6-46.5176.7-177.4-86.8000112L69 A70 I75 V134 L135 K136 E140 A141 S142 L256 Y259L69-F138 HydrophobicContact CB-CE1 4.46Å; L69-F138 HydrophobicContact CD2-CE1 4.1Å; L69-F138 HydrophobicContact CD2-CZ 3.98Å; L69-F138 HydrophobicContact CG-CE1 4.38Å; L69-F138 HydrophobicContact CG-CZ 4.26Å; A70-F138 HydrophobicContact CB-CD1 3.58Å; A70-F138 HydrophobicContact CB-CE1 3.69Å; A70-F138 HydrophobicContact CB-CG 4.3Å; A70-F138 HydrophobicContact CB-CZ 4.48Å; I75-F138 HydrophobicContact CD1-CB 4.11Å; I75-F138 HydrophobicContact CD1-CD1 4.39Å; I75-F138 HydrophobicContact CD1-CD2 3.33Å; I75-F138 HydrophobicContact CD1-CE2 3.74Å; I75-F138 HydrophobicContact CD1-CG 3.69Å; I75-F138 HydrophobicContact CD1-CZ 4.42Å; V134-F138 WeakPolarHBondContact O-CB 3.44Å; V134-F138 PolarHBondContact O-N 2.78Å; L135-F138 PolarHBondContact O-N 3.27Å; K136-F138 VanDerWaalsContact C-N 3.31Å; K136-F138 PolarHBondContact O-N 3.43Å; F138-E140 PolarHBondContact O-N 2.96Å; F138-A141 PolarHBondContact O-N 3.07Å; F138-S142 VanDerWaalsContact O-CB 3.31Å; F138-S142 WeakPolarHBondContact O-CB 3.48Å; F138-S142 PolarHBondContact O-N 3.01Å; F138-S142 PolarHBondContact O-OG 3.19Å; F138-L256 HydrophobicContact CD1-CD2 4.43Å; F138-L256 HydrophobicContact CD2-CD2 3.63Å; F138-L256 HydrophobicContact CE1-CD2 4.36Å; F138-L256 HydrophobicContact CE2-CB 4.27Å; F138-L256 HydrophobicContact CE2-CD2 3.55Å; F138-L256 HydrophobicContact CG-CD2 4.1Å; F138-L256 HydrophobicContact CZ-CD2 3.94Å; F138-Y259 HydrophobicContact CB-CD2 4.08Å; F138-Y259 HydrophobicContact CD2-CD2 4.33Å
139R91.4Very high87.7Confident66 Ų6637.6 Ų37.625%0.24919%0.191CC..Hα-helixtrans-57.6-49.6176-74.3173.8179168.90.7111.4E62 A66 T67 L135 K136 A141 S142 W143E62-R139 HydrophobicContact CB-CB 4.42Å; E62-R139 HydrophobicContact CG-CB 4.03Å; A66-R139 HydrophobicContact CB-CB 4.27Å; A66-R139 HydrophobicContact CB-CG 3.86Å; T67-R139 VanDerWaalsContact CG2-NH2 3.29Å; T67-R139 PolarHBondContact OG1-NE 2.75Å; T67-R139 PolarHBondContact OG1-NH2 3.49Å; L135-R139 HydrophobicContact CD1-CG 4.47Å; L135-R139 VanDerWaalsContact O-CG 3.29Å; L135-R139 WeakPolarHBondContact O-CG 3.46Å; L135-R139 PolarHBondContact O-N 3.41Å; K136-R139 PolarHBondContact O-N 3.32Å; R139-A141 PolarHBondContact O-N 2.91Å; R139-S142 WeakPolarHBondContact CA-OG 3.31Å; R139-S142 PolarHBondContact O-N 3.32Å; R139-S142 PolarHBondContact O-OG 2.93Å; R139-W143 PolarHBondContact O-N 3.41Å
140E90.8Very high88.5Confident2 Ų237.9 Ų37.91%0.00920%0.2CC..Hα-helixtrans-58.6-47.2177.4-68.1-180-177.900112.1K136 F138 R144 V206K136-E140 WeakPolarHBondContact CE-OE1 3.48Å; K136-E140 VanDerWaalsContact O-CG 3.32Å; K136-E140 WeakPolarHBondContact O-CG 3.16Å; K136-E140 PolarHBondContact O-N 3.49Å; F138-E140 PolarHBondContact O-N 2.96Å; E140-R144 WeakPolarHBondContact O-CG 3.28Å; E140-R144 PolarHBondContact O-N 2.95Å; E140-V206 PolarHBondContact OE1-N 3.45Å
141A91.7Very high89.5Confident0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-65.3-38.7178.500000112.2K137 F138 R139 R144 F145 E252 K255 L256 Y259K137-A141 WeakPolarHBondContact O-CB 3.31Å; K137-A141 PolarHBondContact O-N 3.46Å; F138-A141 PolarHBondContact O-N 3.07Å; R139-A141 PolarHBondContact O-N 2.91Å; A141-R144 PolarHBondContact O-N 3.48Å; A141-F145 WeakPolarHBondContact O-CB 3.4Å; A141-F145 PolarHBondContact O-N 3.1Å; A141-E252 WeakPolarHBondContact CA-OE2 3.34Å; A141-E252 WeakPolarHBondContact CB-OE2 3.18Å; A141-K255 HydrophobicContact CB-CB 4.32Å; A141-L256 HydrophobicContact CB-CD2 3.93Å; A141-L256 HydrophobicContact CB-CG 4.24Å; A141-Y259 HydrophobicContact CB-CE2 4.17Å
142S94.7Very high90.8Very high3 Ų333.8 Ų33.82%0.02118%0.18CC..Hα-helixtrans-68.2-38.4-178.664.70000112.3A66 F138 R139 F145 V146A66-S142 VanDerWaalsContact CB-OG 3.26Å; A66-S142 WeakPolarHBondContact CB-OG 3.5Å; F138-S142 VanDerWaalsContact O-CB 3.31Å; F138-S142 WeakPolarHBondContact O-CB 3.48Å; F138-S142 PolarHBondContact O-N 3.01Å; F138-S142 PolarHBondContact O-OG 3.19Å; R139-S142 WeakPolarHBondContact CA-OG 3.31Å; R139-S142 PolarHBondContact O-N 3.32Å; R139-S142 PolarHBondContact O-OG 2.93Å; S142-F145 PolarHBondContact O-N 3.33Å; S142-V146 WeakPolarHBondContact O-CG2 3.5Å; S142-V146 PolarHBondContact O-N 3.19Å
143W95Very high92Very high11 Ų1137.1 Ų37.14%0.04219%0.194CC..Hα-helixtrans-62-47.9174.4170.9-112.4000111.2F54 V57 R58 F61 R139 V146 F147 F194F54-W143 HydrophobicContact CD1-CH2 4.11Å; F54-W143 AromaticContact CD1-CZ2 3.93Å; F54-W143 HydrophobicContact CD1-CZ2 3.93Å; V57-W143 HydrophobicContact CB-CH2 4.02Å; V57-W143 HydrophobicContact CG1-CH2 3.56Å; V57-W143 HydrophobicContact CG1-CZ3 3.78Å; R58-W143 HydrophobicContact CB-CD2 3.89Å; R58-W143 HydrophobicContact CB-CE3 4.41Å; R58-W143 HydrophobicContact CB-CG 4.33Å; R58-W143 HydrophobicContact CB-CH2 4.33Å; R58-W143 HydrophobicContact CB-CZ2 3.79Å; R58-W143 HydrophobicContact CG-CD2 3.86Å; R58-W143 HydrophobicContact CG-CG 3.76Å; F61-W143 HydrophobicContact CB-CE3 3.78Å; F61-W143 HydrophobicContact CB-CZ3 3.93Å; F61-W143 HydrophobicContact CD1-CB 4.08Å; F61-W143 AromaticContact CD1-CE3 3.71Å; F61-W143 HydrophobicContact CD1-CE3 3.71Å; F61-W143 HydrophobicContact CD2-CE3 4.21Å; F61-W143 HydrophobicContact CD2-CZ3 4.42Å; F61-W143 HydrophobicContact CE1-CB 4.17Å; F61-W143 HydrophobicContact CE1-CE3 4.38Å; F61-W143 AromaticContact CG-CE3 3.63Å; F61-W143 HydrophobicContact CG-CE3 3.63Å; F61-W143 HydrophobicContact CG-CZ3 4.08Å; R139-W143 PolarHBondContact O-N 3.41Å; W143-V146 PolarHBondContact O-N 2.91Å; W143-F147 PolarHBondContact O-N 2.97Å; W143-F147 VanDerWaalsContact O-N 3.08Å; W143-F194 HydrophobicContact CZ2-CE2 4.36Å; W143-F194 AromaticContact NE1-CE2 3.53Å
144R93.6Very high92.7Very high29 Ų2937.1 Ų37.111%0.10919%0.194CC..Hα-helixtrans-62.8-43.8177.5-69176.7-173.9-167.90.6111.7E140 A141 V146 F147 Y148 F194 L198 D205 E252E140-R144 WeakPolarHBondContact O-CG 3.28Å; E140-R144 PolarHBondContact O-N 2.95Å; A141-R144 PolarHBondContact O-N 3.48Å; R144-V146 PolarHBondContact O-N 3.38Å; R144-F147 PolarHBondContact O-N 2.7Å; R144-Y148 HydrophobicContact CB-CD2 4.11Å; R144-Y148 HydrophobicContact CB-CE2 3.83Å; R144-Y148 HydrophobicContact CG-CE2 4.45Å; R144-Y148 WeakPolarHBondContact O-CB 3.44Å; R144-Y148 WeakPolarHBondContact O-CD2 3.44Å; R144-Y148 PolarHBondContact O-N 2.6Å; R144-F194 HydrophobicContact CG-CZ 4.42Å; R144-L198 HydrophobicContact CG-CD2 4.39Å; R144-D205 IonicContact NH2-OD2 3.58Å; R144-D205 PolarHBondContact NH2-OD2 3.17Å; R144-E252 HydrophobicContact CB-CG 3.86Å
145F95.6Very high93.2Very high50 Ų5035 Ų3522%0.21918%0.181CC..Hα-helixtrans-56.9-50.8176.3170.8-104.1000112.3A141 S142 F147 Y148 L149 I249 E252 S253 L256A141-F145 WeakPolarHBondContact O-CB 3.4Å; A141-F145 PolarHBondContact O-N 3.1Å; S142-F145 PolarHBondContact O-N 3.33Å; F145-F147 VanDerWaalsContact C-N 3.3Å; F145-F147 PolarHBondContact O-N 3.17Å; F145-Y148 PolarHBondContact O-N 3.29Å; F145-L149 HydrophobicContact CE1-CD2 4.17Å; F145-L149 HydrophobicContact CZ-CD2 3.92Å; F145-L149 VanDerWaalsContact O-CB 3.23Å; F145-L149 WeakPolarHBondContact O-CB 3.16Å; F145-L149 PolarHBondContact O-N 2.95Å; F145-I249 HydrophobicContact CD2-CG2 4.12Å; F145-I249 HydrophobicContact CE2-CG2 3.69Å; F145-E252 HydrophobicContact CB-CB 3.86Å; F145-S253 VanDerWaalsContact CD2-OG 3.27Å; F145-S253 WeakPolarHBondContact CD2-OG 3.48Å; F145-S253 WeakPolarHBondContact CE2-OG 3.34Å; F145-L256 HydrophobicContact CB-CD1 3.84Å; F145-L256 HydrophobicContact CD1-CD1 4.08Å; F145-L256 HydrophobicContact CG-CD1 3.9Å
146V95.9Very high93.7Very high54 Ų5437.2 Ų37.233%0.32719%0.193SC..Hα-helixtrans-62.2-41.1-179.5170.20000111.1F61 S142 W143 R144 S150F61-V146 HydrophobicContact CE2-CB 4.35Å; F61-V146 HydrophobicContact CE2-CG1 4.37Å; F61-V146 HydrophobicContact CE2-CG2 3.92Å; F61-V146 HydrophobicContact CZ-CB 4.3Å; F61-V146 HydrophobicContact CZ-CG2 3.7Å; S142-V146 WeakPolarHBondContact O-CG2 3.5Å; S142-V146 PolarHBondContact O-N 3.19Å; W143-V146 PolarHBondContact O-N 2.91Å; R144-V146 PolarHBondContact O-N 3.38Å; V146-S150 WeakPolarHBondContact O-CB 3.43Å; V146-S150 PolarHBondContact O-N 3.07Å; V146-S150 VanDerWaalsContact O-N 3.08Å; V146-S150 PolarHBondContact O-OG 3.49Å
147F95.4Very high94.1Very high19 Ų1936.5 Ų36.58%0.08320%0.203CC..Hα-helixtrans-63.7-56.3176-178.3-88.9000111.7F54 W143 R144 F145 L149 S150 A151 F194F54-F147 HydrophobicContact CE1-CD2 4.02Å; F54-F147 AromaticContact CE1-CE2 3.88Å; F54-F147 HydrophobicContact CE1-CE2 3.88Å; F54-F147 HydrophobicContact CZ-CD2 4.45Å; F54-F147 AromaticContact CZ-CE2 3.84Å; F54-F147 HydrophobicContact CZ-CE2 3.84Å; W143-F147 PolarHBondContact O-N 2.97Å; W143-F147 VanDerWaalsContact O-N 3.08Å; R144-F147 PolarHBondContact O-N 2.7Å; F145-F147 VanDerWaalsContact C-N 3.3Å; F145-F147 PolarHBondContact O-N 3.17Å; F147-L149 VanDerWaalsContact C-N 3.26Å; F147-L149 PolarHBondContact O-N 3.16Å; F147-S150 CarbonylContact O-C 3.58Å; F147-S150 WeakPolarHBondContact O-CB 3.24Å; F147-S150 PolarHBondContact O-N 3.37Å; F147-A151 HydrophobicContact CD1-CB 4.33Å; F147-A151 HydrophobicContact CE1-CB 3.88Å; F147-A151 HydrophobicContact CZ-CB 4.26Å; F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 3.33Å; F147-F194 HydrophobicContact CB-CD2 4.04Å; F147-F194 HydrophobicContact CB-CE1 4.35Å; F147-F194 HydrophobicContact CB-CE2 3.48Å; F147-F194 VanDerWaalsContact CB-CE2 3.48Å; F147-F194 HydrophobicContact CB-CZ 3.67Å; F147-F194 HydrophobicContact CD1-CB 4.22Å; F147-F194 AromaticContact CD1-CD1 3.22Å; F147-F194 HydrophobicContact CD1-CD1 3.22Å; F147-F194 AromaticContact CD1-CD2 3.65Å; F147-F194 HydrophobicContact CD1-CD2 3.65Å; F147-F194 AromaticContact CD1-CE1 3.21Å; F147-F194 HydrophobicContact CD1-CE1 3.21Å; F147-F194 AromaticContact CD1-CE2 3.65Å; F147-F194 HydrophobicContact CD1-CE2 3.65Å; F147-F194 AromaticContact CD1-CG 3.42Å; F147-F194 HydrophobicContact CD1-CG 3.42Å; F147-F194 VanDerWaalsContact CD1-CG 3.42Å; F147-F194 AromaticContact CD1-CZ 3.44Å; F147-F194 HydrophobicContact CD1-CZ 3.44Å; F147-F194 VanDerWaalsContact CD1-CZ 3.44Å; F147-F194 HydrophobicContact CD2-CB 4.05Å; F147-F194 HydrophobicContact CD2-CD1 4.35Å; F147-F194 AromaticContact CD2-CD2 3.33Å; F147-F194 HydrophobicContact CD2-CD2 3.33Å; F147-F194 AromaticContact CD2-CE2 3.74Å; F147-F194 HydrophobicContact CD2-CE2 3.74Å; F147-F194 AromaticContact CD2-CG 3.67Å; F147-F194 HydrophobicContact CD2-CG 3.67Å; F147-F194 HydrophobicContact CD2-CZ 4.4Å; F147-F194 HydrophobicContact CE1-CB 3.6Å; F147-F194 AromaticContact CE1-CD1 3.12Å; F147-F194 HydrophobicContact CE1-CD1 3.12Å; F147-F194 AromaticContact CE1-CD2 3.94Å; F147-F194 HydrophobicContact CE1-CD2 3.94Å; F147-F194 AromaticContact CE1-CE1 3.64Å; F147-F194 HydrophobicContact CE1-CE1 3.64Å; F147-F194 HydrophobicContact CE1-CE2 4.37Å; F147-F194 AromaticContact CE1-CG 3.28Å; F147-F194 HydrophobicContact CE1-CG 3.28Å; F147-F194 HydrophobicContact CE1-CZ 4.24Å; F147-F194 HydrophobicContact CE2-CB 3.39Å; F147-F194 HydrophobicContact CE2-CD1 4.26Å; F147-F194 AromaticContact CE2-CD2 3.65Å; F147-F194 HydrophobicContact CE2-CD2 3.65Å; F147-F194 HydrophobicContact CE2-CE2 4.45Å; F147-F194 AromaticContact CE2-CG 3.52Å; F147-F194 HydrophobicContact CE2-CG 3.52Å; F147-F194 HydrophobicContact CG-CB 4.42Å; F147-F194 AromaticContact CG-CD1 3.88Å; F147-F194 HydrophobicContact CG-CD1 3.88Å; F147-F194 AromaticContact CG-CD2 3.34Å; F147-F194 HydrophobicContact CG-CD2 3.34Å; F147-F194 AromaticContact CG-CE1 3.82Å; F147-F194 HydrophobicContact CG-CE1 3.82Å; F147-F194 AromaticContact CG-CE2 3.29Å; F147-F194 HydrophobicContact CG-CE2 3.29Å; F147-F194 AromaticContact CG-CG 3.62Å; F147-F194 HydrophobicContact CG-CG 3.62Å; F147-F194 AromaticContact CG-CZ 3.54Å; F147-F194 HydrophobicContact CG-CZ 3.54Å; F147-F194 HydrophobicContact CZ-CB 3.14Å; F147-F194 AromaticContact CZ-CD1 3.7Å; F147-F194 HydrophobicContact CZ-CD1 3.7Å; F147-F194 AromaticContact CZ-CD2 3.95Å; F147-F194 HydrophobicContact CZ-CD2 3.95Å; F147-F194 AromaticContact CZ-CG 3.33Å; F147-F194 HydrophobicContact CZ-CG 3.33Å
148Y95.1Very high94.3Very high11 Ų1135.4 Ų35.44%0.04320%0.201CC..Hα-helixtrans-60.4-36.4-177.5-68-50.6000112.4R144 F145 F152 F194 D248 E252R144-Y148 HydrophobicContact CB-CD2 4.11Å; R144-Y148 HydrophobicContact CB-CE2 3.83Å; R144-Y148 HydrophobicContact CG-CE2 4.45Å; R144-Y148 WeakPolarHBondContact O-CB 3.44Å; R144-Y148 WeakPolarHBondContact O-CD2 3.44Å; R144-Y148 PolarHBondContact O-N 2.6Å; F145-Y148 PolarHBondContact O-N 3.29Å; Y148-F152 VanDerWaalsContact O-CB 3.28Å; Y148-F152 WeakPolarHBondContact O-CB 3.35Å; Y148-F152 PolarHBondContact O-N 3.2Å; Y148-F194 HydrophobicContact CD1-CE1 4.5Å; Y148-F194 AromaticContact CE1-CE1 3.82Å; Y148-F194 HydrophobicContact CE1-CE1 3.82Å; Y148-F194 AromaticContact CZ-CE1 3.9Å; Y148-D248 HydrophobicContact CD1-CB 4.28Å; Y148-D248 HydrophobicContact CD2-CB 3.9Å; Y148-D248 HydrophobicContact CE1-CB 4.45Å; Y148-D248 HydrophobicContact CE2-CB 4.07Å; Y148-D248 HydrophobicContact CG-CB 4.03Å; Y148-E252 HydrophobicContact CD2-CG 4.1Å; Y148-E252 HydrophobicContact CE2-CG 4.22Å
149L96.2Very high94.5Very high62 Ų6235 Ų3533%0.32520%0.199SC..Hα-helixtrans-63.1-45.8174.1-179.663.3000111.4F145 F147 I153 I249F145-L149 HydrophobicContact CE1-CD2 4.17Å; F145-L149 HydrophobicContact CZ-CD2 3.92Å; F145-L149 VanDerWaalsContact O-CB 3.23Å; F145-L149 WeakPolarHBondContact O-CB 3.16Å; F145-L149 PolarHBondContact O-N 2.95Å; F147-L149 VanDerWaalsContact C-N 3.26Å; F147-L149 PolarHBondContact O-N 3.16Å; L149-I153 HydrophobicContact CD1-CD1 4.03Å; L149-I153 HydrophobicContact CG-CD1 4.07Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.37Å; L149-I153 PolarHBondContact O-N 3.46Å; L149-I153 VanDerWaalsContact O-N 3.09Å; L149-I249 HydrophobicContact CD1-CD1 4.33Å; L149-I249 HydrophobicContact CD1-CG2 4.29Å
150S95.8Very high94.6Very high72 Ų7239.5 Ų39.550%0.50322%0.217SC..Hα-helixtrans-67-42179.2-54.50000111.6V146 F147 G154V146-S150 WeakPolarHBondContact O-CB 3.43Å; V146-S150 PolarHBondContact O-N 3.07Å; V146-S150 VanDerWaalsContact O-N 3.08Å; V146-S150 PolarHBondContact O-OG 3.49Å; F147-S150 CarbonylContact O-C 3.58Å; F147-S150 WeakPolarHBondContact O-CB 3.24Å; F147-S150 PolarHBondContact O-N 3.37Å; S150-G154 PolarHBondContact O-N 2.88Å
151A94.7Very high94.7Very high10 Ų1044.5 Ų44.58%0.08324%0.244CC..Hα-helixtrans-62.1-46177.300000111.5F147 G154 G155 E191F147-A151 HydrophobicContact CD1-CB 4.33Å; F147-A151 HydrophobicContact CE1-CB 3.88Å; F147-A151 HydrophobicContact CZ-CB 4.26Å; F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 3.33Å; A151-G154 CarbonylContact O-C 3.6Å; A151-G154 PolarHBondContact O-N 3.43Å; A151-G155 PolarHBondContact O-N 3.11Å; A151-E191 WeakPolarHBondContact CB-OE2 3.49Å
152F95.4Very high94.8Very high59 Ų5946.1 Ų46.126%0.25925%0.251SS..Hα-helixtrans-65.9-43.8178.2-174.8-108.1000112.6Y148 G154 G155 I156 L242 D245 A246 I249Y148-F152 VanDerWaalsContact O-CB 3.28Å; Y148-F152 WeakPolarHBondContact O-CB 3.35Å; Y148-F152 PolarHBondContact O-N 3.2Å; F152-G154 VanDerWaalsContact C-N 3.32Å; F152-G154 PolarHBondContact O-N 2.85Å; F152-G155 PolarHBondContact O-N 2.97Å; F152-I156 HydrophobicContact CE1-CG1 4.27Å; F152-I156 HydrophobicContact CZ-CD1 4.3Å; F152-I156 HydrophobicContact CZ-CG1 4.23Å; F152-I156 WeakPolarHBondContact O-CG1 3.43Å; F152-I156 PolarHBondContact O-N 3.39Å; F152-L242 HydrophobicContact CD2-CD1 3.74Å; F152-L242 HydrophobicContact CE2-CD1 3.75Å; F152-L242 HydrophobicContact CE2-CG 4.42Å; F152-D245 HydrophobicContact CB-CB 4.24Å; F152-D245 HydrophobicContact CD2-CB 4.2Å; F152-A246 HydrophobicContact CD2-CB 4.2Å; F152-A246 HydrophobicContact CE2-CB 3.63Å; F152-A246 HydrophobicContact CZ-CB 4.19Å; F152-I249 HydrophobicContact CB-CD1 3.51Å; F152-I249 HydrophobicContact CD1-CD1 3.81Å; F152-I249 HydrophobicContact CG-CD1 3.73Å
153I95.9Very high94.7Very high105 Ų10552 Ų5254%0.53828%0.278SS..Hα-helixtrans-61.3-44.6174.4-67.3167.9000110.2L149 I156 A157L149-I153 HydrophobicContact CD1-CD1 4.03Å; L149-I153 HydrophobicContact CG-CD1 4.07Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.37Å; L149-I153 PolarHBondContact O-N 3.46Å; L149-I153 VanDerWaalsContact O-N 3.09Å; I153-I156 PolarHBondContact O-N 2.87Å; I153-A157 WeakPolarHBondContact O-CB 3.42Å; I153-A157 PolarHBondContact O-N 3.38Å
154G94.8Very high94.5Very high33 Ų3352.7 Ų52.734%0.3428%0.281SS..Hα-helixtrans-62-41.2176.100000113S150 A151 F152 A157 A158S150-G154 PolarHBondContact O-N 2.88Å; A151-G154 CarbonylContact O-C 3.6Å; A151-G154 PolarHBondContact O-N 3.43Å; F152-G154 VanDerWaalsContact C-N 3.32Å; F152-G154 PolarHBondContact O-N 2.85Å; G154-A157 PolarHBondContact O-N 3.46Å; G154-A158 VanDerWaalsContact O-CB 3.25Å; G154-A158 WeakPolarHBondContact O-CB 3.25Å; G154-A158 PolarHBondContact O-N 3.34Å
155G94.4Very high94.5Very high0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-65-44.7177.300000112.2A151 F152 A158 L159A151-G155 PolarHBondContact O-N 3.11Å; F152-G155 PolarHBondContact O-N 2.97Å; G155-A158 PolarHBondContact O-N 3.04Å; G155-L159 VanDerWaalsContact O-CB 3.31Å; G155-L159 WeakPolarHBondContact O-CB 3.27Å; G155-L159 WeakPolarHBondContact O-CG 3.34Å; G155-L159 PolarHBondContact O-N 3.25Å; G155-L159 VanDerWaalsContact O-N 3.09Å
156I95.3Very high94.3Very high66 Ų6658.4 Ų58.434%0.33831%0.305SS..Hα-helixtrans-60.2-49.4171.9-65.9-66.8000109.9F152 I153 A158 L159 Y160 L242F152-I156 HydrophobicContact CE1-CG1 4.27Å; F152-I156 HydrophobicContact CZ-CD1 4.3Å; F152-I156 HydrophobicContact CZ-CG1 4.23Å; F152-I156 WeakPolarHBondContact O-CG1 3.43Å; F152-I156 PolarHBondContact O-N 3.39Å; I153-I156 PolarHBondContact O-N 2.87Å; I156-A158 VanDerWaalsContact C-N 3.28Å; I156-A158 PolarHBondContact O-N 3.26Å; I156-L159 PolarHBondContact O-N 3.39Å; I156-Y160 WeakPolarHBondContact O-CA 3.46Å; I156-Y160 WeakPolarHBondContact O-CB 3.28Å; I156-Y160 PolarHBondContact O-N 3.48Å; I156-L242 HydrophobicContact CD1-CD1 3.81Å; I156-L242 HydrophobicContact CD1-CD2 4Å; I156-L242 HydrophobicContact CD1-CG 4.42Å; I156-L242 HydrophobicContact CG1-CD1 3.96Å
157A95.2Very high94Very high73 Ų7358.8 Ų58.860%0.60331%0.305SS*.Hα-helixtrans-60.7-36179.700000113I153 G154I153-A157 WeakPolarHBondContact O-CB 3.42Å; I153-A157 PolarHBondContact O-N 3.38Å; G154-A157 PolarHBondContact O-N 3.46Å
158A93.6Very high93.7Very high10 Ų1059.4 Ų59.48%0.08331%0.312CS..Hα-helixtrans-76-22.1179.600000113.9G154 G155 I156G154-A158 VanDerWaalsContact O-CB 3.25Å; G154-A158 WeakPolarHBondContact O-CB 3.25Å; G154-A158 PolarHBondContact O-N 3.34Å; G155-A158 PolarHBondContact O-N 3.04Å; I156-A158 VanDerWaalsContact C-N 3.28Å; I156-A158 PolarHBondContact O-N 3.26Å
159L94.3Very high93.3Very high0 Ų066.2 Ų66.20%034%0.338CS..Hα-helixtrans-114.1-15.2-173.2-68.9169.6000114.4G155 I156 D161 K162 W164 L165 L239 L242G155-L159 VanDerWaalsContact O-CB 3.31Å; G155-L159 WeakPolarHBondContact O-CB 3.27Å; G155-L159 WeakPolarHBondContact O-CG 3.34Å; G155-L159 PolarHBondContact O-N 3.25Å; G155-L159 VanDerWaalsContact O-N 3.09Å; I156-L159 PolarHBondContact O-N 3.39Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.62Å; L159-K162 VanDerWaalsContact O-CB 3.31Å; L159-K162 WeakPolarHBondContact O-CB 3.36Å; L159-K162 PolarHBondContact O-N 3.25Å; L159-W164 VanDerWaalsContact CD2-NE1 3.34Å; L159-L165 HydrophobicContact CB-CD1 4.33Å; L159-L165 HydrophobicContact CB-CD2 4.2Å; L159-L165 WeakPolarHBondContact O-CD2 3.37Å; L159-L239 HydrophobicContact CD1-CD2 4.49Å; L159-L242 HydrophobicContact CD1-CB 4.21Å; L159-L242 HydrophobicContact CD1-CD2 3.81Å
160Y93.5Very high93.1Very high160 Ų16066 Ų6663%0.62734%0.335SS*.THydrogen-bonded Turntrans-57.6-38-172.5179.6-98.7000113.3I156 K162 Y166I156-Y160 WeakPolarHBondContact O-CA 3.46Å; I156-Y160 WeakPolarHBondContact O-CB 3.28Å; I156-Y160 PolarHBondContact O-N 3.48Å; Y160-K162 VanDerWaalsContact C-N 3.26Å; Y160-K162 PolarHBondContact O-N 3.2Å; Y160-Y166 PolarHBondContact O-OH 3.31Å
161D92.6Very high92.9Very high107 Ų10762.6 Ų62.657%0.57231%0.311SS*.THydrogen-bonded Turntrans-86.57.8-18069.8-38.1000113.3L159L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.62Å
162K92.8Very high92.7Very high34 Ų3462.5 Ų62.515%0.14831%0.309CS..  trans-107.1128-170.6-49.9-54-176.8-155.80112.2L159 Y160 W164 L165 L181L159-K162 VanDerWaalsContact O-CB 3.31Å; L159-K162 WeakPolarHBondContact O-CB 3.36Å; L159-K162 PolarHBondContact O-N 3.25Å; Y160-K162 VanDerWaalsContact C-N 3.26Å; Y160-K162 PolarHBondContact O-N 3.2Å; K162-W164 VanDerWaalsContact C-N 3.27Å; K162-W164 HydrophobicContact CB-CD2 3.83Å; K162-W164 VanDerWaalsContact CB-CE2 3.43Å; K162-W164 HydrophobicContact CB-CE3 4.12Å; K162-W164 HydrophobicContact CB-CG 4.49Å; K162-W164 HydrophobicContact CB-CH2 3.76Å; K162-W164 HydrophobicContact CB-CZ2 3.38Å; K162-W164 HydrophobicContact CB-CZ3 4.09Å; K162-W164 HydrophobicContact CD-CH2 3.55Å; K162-W164 HydrophobicContact CD-CZ2 3.72Å; K162-W164 HydrophobicContact CD-CZ3 4.31Å; K162-W164 HydrophobicContact CG-CH2 3.72Å; K162-W164 HydrophobicContact CG-CZ2 3.34Å; K162-W164 PolarHBondContact O-N 3.27Å; K162-L165 VanDerWaalsContact O-CB 3.3Å; K162-L165 WeakPolarHBondContact O-CB 3.49Å; K162-L165 PolarHBondContact O-N 3.44Å; K162-L165 VanDerWaalsContact O-N 3.08Å; K162-L181 HydrophobicContact CD-CD1 4.23Å; K162-L181 VanDerWaalsContact CE-CD1 3.48Å
163E92.9Very high92.4Very high128 Ų12862.8 Ų62.860%0.59832%0.315SS*.G310 helixtrans-59.6-35.4-177-61.9179.7178.600113.5L165 Y166 D167 Q170E163-L165 PolarHBondContact O-N 3.34Å; E163-Y166 PolarHBondContact O-N 2.94Å; E163-D167 PolarHBondContact O-N 2.67Å; E163-Q170 HydrophobicContact CB-CB 4.45Å; E163-Q170 HydrophobicContact CB-CG 4.27Å
164W92Very high91.9Very high24 Ų2460.1 Ų60.19%0.09131%0.314CS..G310 helixtrans-70.5-10.2-179.461.879.3000114.2L159 K162 Y166 D167 Q170 V171 L181 R235L159-W164 VanDerWaalsContact CD2-NE1 3.34Å; K162-W164 VanDerWaalsContact C-N 3.27Å; K162-W164 HydrophobicContact CB-CD2 3.83Å; K162-W164 VanDerWaalsContact CB-CE2 3.43Å; K162-W164 HydrophobicContact CB-CE3 4.12Å; K162-W164 HydrophobicContact CB-CG 4.49Å; K162-W164 HydrophobicContact CB-CH2 3.76Å; K162-W164 HydrophobicContact CB-CZ2 3.38Å; K162-W164 HydrophobicContact CB-CZ3 4.09Å; K162-W164 HydrophobicContact CD-CH2 3.55Å; K162-W164 HydrophobicContact CD-CZ2 3.72Å; K162-W164 HydrophobicContact CD-CZ3 4.31Å; K162-W164 HydrophobicContact CG-CH2 3.72Å; K162-W164 HydrophobicContact CG-CZ2 3.34Å; K162-W164 PolarHBondContact O-N 3.27Å; W164-Y166 VanDerWaalsContact C-N 3.3Å; W164-D167 WeakPolarHBondContact CA-O 3.42Å; W164-Q170 HydrophobicContact CB-CB 4.1Å; W164-V171 HydrophobicContact CB-CG2 3.84Å; W164-L181 HydrophobicContact CH2-CD1 4.01Å; W164-R235 HydrophobicContact CD2-CG 3.98Å; W164-R235 HydrophobicContact CE3-CG 4.4Å; W164-R235 HydrophobicContact CG-CB 4.36Å; W164-R235 HydrophobicContact CG-CG 4.32Å; W164-R235 HydrophobicContact CZ2-CG 4.31Å
165L92.3Very high91.5Very high50 Ų5059 Ų5926%0.26230%0.3SS..G310 helixtrans-68.8-33.3168.1-17763.3000111.3L159 K162 E163 L239 L242L159-L165 HydrophobicContact CB-CD1 4.33Å; L159-L165 HydrophobicContact CB-CD2 4.2Å; L159-L165 WeakPolarHBondContact O-CD2 3.37Å; K162-L165 VanDerWaalsContact O-CB 3.3Å; K162-L165 WeakPolarHBondContact O-CB 3.49Å; K162-L165 PolarHBondContact O-N 3.44Å; K162-L165 VanDerWaalsContact O-N 3.08Å; E163-L165 PolarHBondContact O-N 3.34Å; L165-L239 HydrophobicContact CD1-CD2 3.87Å; L165-L242 HydrophobicContact CD1-CD2 3.84Å
166Y91.6Very high90.9Very high149 Ų14959.1 Ų59.158%0.58430%0.301SS*.THydrogen-bonded Turntrans-100.3-34.3-175-55.9-75.1000112.6Y160 E163 W164Y160-Y166 PolarHBondContact O-OH 3.31Å; E163-Y166 PolarHBondContact O-N 2.94Å; W164-Y166 VanDerWaalsContact C-N 3.3Å
167D91.1Very high90.5Very high62 Ų6260.8 Ų60.833%0.33231%0.305SS..  trans-122.1109.3177-173-1.8000111.9E163 W164 R169 Q170E163-D167 PolarHBondContact O-N 2.67Å; W164-D167 WeakPolarHBondContact CA-O 3.42Å; D167-R169 PolarHBondContact O-N 3.27Å; D167-R169 VanDerWaalsContact O-N 3.1Å; D167-R169 WeakPolarHBondContact OD1-CB 3.42Å; D167-R169 WeakPolarHBondContact OD1-CG 3.36Å; D167-R169 PolarHBondContact OD1-N 3.42Å; D167-Q170 HydrophobicContact CB-CG 4.07Å; D167-Q170 WeakPolarHBondContact O-CB 3.48Å; D167-Q170 PolarHBondContact O-N 3.16Å
168S88.3Confident90.1Very high32 Ų3257.7 Ų57.722%0.22428%0.279CS..G310 helixtrans-58.2-21.3176.862.70000114.5Q170 V171 C292 Y296S168-Q170 VanDerWaalsContact C-N 3.32Å; S168-V171 WeakPolarHBondContact O-CB 3.26Å; S168-V171 WeakPolarHBondContact O-CG2 3.32Å; S168-V171 PolarHBondContact O-N 3.33Å; S168-C292 PolarHBondContact O-SG 3.45Å; S168-Y296 WeakPolarHBondContact OG-CE2 3.5Å
169R87.2Confident89.9Confident155 Ų15559.3 Ų59.359%0.58529%0.289SS*.G310 helixtrans-69-34.2175.9-63.8173.2179.4-177.81.6111.6D167 V171 W172 Y296D167-R169 PolarHBondContact O-N 3.27Å; D167-R169 VanDerWaalsContact O-N 3.1Å; D167-R169 WeakPolarHBondContact OD1-CB 3.42Å; D167-R169 WeakPolarHBondContact OD1-CG 3.36Å; D167-R169 PolarHBondContact OD1-N 3.42Å; R169-V171 PolarHBondContact O-N 2.83Å; R169-V171 VanDerWaalsContact O-N 3.17Å; R169-W172 PolarHBondContact O-N 2.9Å; R169-Y296 HydrophobicContact CG-CD1 4.44Å; R169-Y296 HydrophobicContact CG-CE1 3.88Å; R169-Y296 HydrophobicContact CG-CE2 4.02Å
170Q90.5Very high89.8Confident56 Ų5659.8 Ų59.826%0.26229%0.291SS..G310 helixtrans-69.3-12.6-179.9-63.4-67.48.300113.4E163 W164 D167 S168 W172 T173 R235E163-Q170 HydrophobicContact CB-CB 4.45Å; E163-Q170 HydrophobicContact CB-CG 4.27Å; W164-Q170 HydrophobicContact CB-CB 4.1Å; D167-Q170 HydrophobicContact CB-CG 4.07Å; D167-Q170 WeakPolarHBondContact O-CB 3.48Å; D167-Q170 PolarHBondContact O-N 3.16Å; S168-Q170 VanDerWaalsContact C-N 3.32Å; Q170-W172 VanDerWaalsContact C-N 3.26Å; Q170-W172 PolarHBondContact O-N 2.74Å; Q170-T173 WeakPolarHBondContact CA-OG1 3.4Å; Q170-T173 PolarHBondContact O-N 3.32Å; Q170-T173 PolarHBondContact OE1-OG1 3.48Å; Q170-R235 PolarHBondContact O-NH1 3.34Å
171V92.3Very high89.7Confident2 Ų254.9 Ų54.91%0.01228%0.276CS..G310 helixtrans-60.7-38.9175179.40000111.2W164 S168 R169 Q178 R235 M236 L239W164-V171 HydrophobicContact CB-CG2 3.84Å; S168-V171 WeakPolarHBondContact O-CB 3.26Å; S168-V171 WeakPolarHBondContact O-CG2 3.32Å; S168-V171 PolarHBondContact O-N 3.33Å; R169-V171 PolarHBondContact O-N 2.83Å; R169-V171 VanDerWaalsContact O-N 3.17Å; V171-Q178 PolarHBondContact O-NE2 3.37Å; V171-R235 HydrophobicContact CG1-CB 3.83Å; V171-R235 WeakPolarHBondContact O-CD 3.35Å; V171-M236 HydrophobicContact CB-SD 4.03Å; V171-M236 HydrophobicContact CG1-CB 4.24Å; V171-M236 HydrophobicContact CG1-CG 3.36Å; V171-M236 HydrophobicContact CG1-SD 3.31Å; V171-M236 WeakPolarHBondContact CG1-SD 3.26Å; V171-M236 HydrophobicContact CG2-SD 4.03Å; V171-L239 HydrophobicContact CG2-CD1 3.67Å
172W91.3Very high89.6Confident7 Ų755.8 Ų55.83%0.02728%0.28CS..THydrogen-bonded Turntrans-97.1-6.6-175.8-59.9102000113.6R169 Q170 G174 Y175 F233 M236 C292 T293 P297R169-W172 PolarHBondContact O-N 2.9Å; Q170-W172 VanDerWaalsContact C-N 3.26Å; Q170-W172 PolarHBondContact O-N 2.74Å; W172-G174 PolarHBondContact O-N 2.93Å; W172-Y175 HydrophobicContact CE3-CD1 4.07Å; W172-Y175 HydrophobicContact CE3-CD2 4.11Å; W172-Y175 AromaticContact CE3-CG 3.78Å; W172-Y175 HydrophobicContact CE3-CG 3.78Å; W172-Y175 HydrophobicContact CZ3-CD1 4.25Å; W172-Y175 HydrophobicContact CZ3-CD2 4.04Å; W172-Y175 HydrophobicContact CZ3-CE1 4.44Å; W172-Y175 HydrophobicContact CZ3-CE2 4.28Å; W172-Y175 HydrophobicContact CZ3-CG 4.08Å; W172-Y175 WeakPolarHBondContact O-CB 3.28Å; W172-Y175 PolarHBondContact O-N 3.09Å; W172-F233 AromaticContact CH2-CD1 3.81Å; W172-F233 HydrophobicContact CH2-CD1 3.81Å; W172-F233 AromaticContact CH2-CE1 3.7Å; W172-F233 HydrophobicContact CH2-CE1 3.7Å; W172-F233 HydrophobicContact CH2-CE2 4.46Å; W172-F233 HydrophobicContact CH2-CG 4.23Å; W172-F233 HydrophobicContact CH2-CZ 4.07Å; W172-F233 AromaticContact CZ3-CD1 3.65Å; W172-F233 HydrophobicContact CZ3-CD1 3.65Å; W172-F233 AromaticContact CZ3-CE1 3.47Å; W172-F233 HydrophobicContact CZ3-CE1 3.47Å; W172-F233 VanDerWaalsContact CZ3-CE1 3.47Å; W172-F233 HydrophobicContact CZ3-CG 4.49Å; W172-F233 HydrophobicContact CZ3-CZ 4.22Å; W172-M236 HydrophobicContact CH2-CG 4.19Å; W172-M236 HydrophobicContact CZ2-CG 3.59Å; W172-M236 HydrophobicContact CZ2-SD 4.39Å; W172-C292 PolarHBondContact NE1-O 2.87Å; W172-C292 VanDerWaalsContact NE1-O 3.07Å; W172-C292 PolarHBondContact NE1-SG 3.3Å; W172-C292 VanDerWaalsContact NE1-SG 3.35Å; W172-T293 HydrophobicContact CZ2-CG2 3.89Å; W172-P297 HydrophobicContact CD2-CB 4.44Å; W172-P297 HydrophobicContact CD2-CG 3.65Å; W172-P297 HydrophobicContact CE3-CB 4.45Å; W172-P297 HydrophobicContact CE3-CG 3.98Å; W172-P297 HydrophobicContact CG-CG 4.25Å; W172-P297 HydrophobicContact CH2-CG 3.79Å; W172-P297 HydrophobicContact CZ2-CG 3.43Å; W172-P297 VanDerWaalsContact CZ2-CG 3.43Å; W172-P297 HydrophobicContact CZ3-CG 4.05Å
173T88.9Confident89.6Confident65 Ų6556.4 Ų56.440%0.39929%0.289SS..THydrogen-bonded Turntrans-58.8122176-57.30000110.7Q170 Y175 Q178 R235Q170-T173 WeakPolarHBondContact CA-OG1 3.4Å; Q170-T173 PolarHBondContact O-N 3.32Å; Q170-T173 PolarHBondContact OE1-OG1 3.48Å; T173-Y175 PolarHBondContact O-N 2.92Å; T173-Q178 PolarHBondContact O-NE2 3.09Å; T173-R235 PolarHBondContact O-NH1 3.37Å; T173-R235 VanDerWaalsContact O-NH1 3.15Å
174G84.9Confident89.6Confident50 Ų5050.5 Ų50.552%0.51526%0.261SS..THydrogen-bonded Turntrans74.35.8-178.800000114.8W172 K177W172-G174 PolarHBondContact O-N 2.93Å; G174-K177 CarbonylContact O-C 3.21Å; G174-K177 WeakPolarHBondContact O-CA 3.22Å; G174-K177 PolarHBondContact O-N 3.46Å
175Y86.3Confident89.7Confident10 Ų1051.3 Ų51.34%0.03927%0.265CS..THydrogen-bonded Turntrans-63.5139.9169.8-179.1-92.9000110P22 W172 T173 A231 F233 Y301 Y304P22-Y175 HydrophobicContact CG-CE1 4.41Å; W172-Y175 HydrophobicContact CE3-CD1 4.07Å; W172-Y175 HydrophobicContact CE3-CD2 4.11Å; W172-Y175 AromaticContact CE3-CG 3.78Å; W172-Y175 HydrophobicContact CE3-CG 3.78Å; W172-Y175 HydrophobicContact CZ3-CD1 4.25Å; W172-Y175 HydrophobicContact CZ3-CD2 4.04Å; W172-Y175 HydrophobicContact CZ3-CE1 4.44Å; W172-Y175 HydrophobicContact CZ3-CE2 4.28Å; W172-Y175 HydrophobicContact CZ3-CG 4.08Å; W172-Y175 WeakPolarHBondContact O-CB 3.28Å; W172-Y175 PolarHBondContact O-N 3.09Å; T173-Y175 PolarHBondContact O-N 2.92Å; Y175-A231 PolarHBondContact OH-O 2.92Å; Y175-F233 HydrophobicContact CD2-CD1 4.19Å; Y175-F233 HydrophobicContact CD2-CE1 4.35Å; Y175-F233 HydrophobicContact CE1-CE1 4.12Å; Y175-F233 AromaticContact CE2-CD1 3.42Å; Y175-F233 HydrophobicContact CE2-CD1 3.42Å; Y175-F233 VanDerWaalsContact CE2-CD1 3.42Å; Y175-F233 AromaticContact CE2-CE1 3.44Å; Y175-F233 HydrophobicContact CE2-CE1 3.44Å; Y175-F233 VanDerWaalsContact CE2-CE1 3.44Å; Y175-F233 AromaticContact CZ-CD1 3.83Å; Y175-F233 AromaticContact CZ-CE1 3.31Å; Y175-F233 WeakPolarHBondContact OH-CE1 3.34Å; Y175-Y301 HydrophobicContact CD1-CD2 4.18Å; Y175-Y301 AromaticContact CD1-CE2 3.96Å; Y175-Y301 HydrophobicContact CD1-CE2 3.96Å; Y175-Y301 VanDerWaalsContact O-CE2 3.22Å; Y175-Y301 WeakPolarHBondContact O-CE2 3.4Å; Y175-Y301 PolarHBondContact O-OH 3.41Å; Y175-Y304 PolarHBondContact OH-OH 2.61Å; Y175-Y304 VanDerWaalsContact OH-OH 3.08Å
176P82.9Confident89.8Confident2 Ų254.8 Ų54.81%0.01328%0.275CS..THydrogen-bonded Turncis-86.3-30.233.6-34.6000115.2L25 L30 Q178 N232 Y301L25-P176 HydrophobicContact CD1-CG 3.56Å; L25-P176 HydrophobicContact CD2-CB 4.13Å; L25-P176 HydrophobicContact CD2-CG 3.45Å; L25-P176 VanDerWaalsContact CD2-CG 3.45Å; L25-P176 HydrophobicContact CG-CG 4.06Å; L30-P176 HydrophobicContact CD2-CB 4.34Å; P176-Q178 PolarHBondContact O-N 3.49Å; P176-N232 PolarHBondContact O-ND2 3.28Å; P176-Y301 WeakPolarHBondContact CD-OH 3.08Å
177K85.4Confident89.9Confident100 Ų10048.4 Ų48.444%0.43525%0.249SC..SBendtrans-82.446.9-176.4-62.3-175.6179.2-177.80113.2R36 G174R36-K177 PolarHBondContact NH1-O 3.26Å; G174-K177 CarbonylContact O-C 3.21Å; G174-K177 WeakPolarHBondContact O-CA 3.22Å; G174-K177 PolarHBondContact O-N 3.46Å
178Q88.6Confident90.1Very high9 Ų945.4 Ų45.44%0.04223%0.234CC..PPolyproline II helixtrans-90.2126177.3-65.5177.3-16.200110.2Y38 V171 T173 P176 N232Y38-Q178 WeakPolarHBondContact CD1-O 3.36Å; Y38-Q178 WeakPolarHBondContact CE1-O 3.2Å; V171-Q178 PolarHBondContact O-NE2 3.37Å; T173-Q178 PolarHBondContact O-NE2 3.09Å; P176-Q178 PolarHBondContact O-N 3.49Å; Q178-N232 PolarHBondContact O-ND2 3.35Å
179S89.2Confident90.4Very high43 Ų4343.9 Ų43.930%0.30122%0.223SC..PPolyproline II helixtrans-72.6133.4173-164.70000109.8V37V37-S179 PolarHBondContact N-OG 3.08Å; V37-S179 VanDerWaalsContact N-OG 3.15Å; V37-S179 CarbonylContact O-C 3.54Å; V37-S179 WeakPolarHBondContact O-CA 3.38Å; V37-S179 PolarHBondContact O-OG 3.24Å
180M91.1Very high90.7Very high10 Ų1039.8 Ų39.85%0.04921%0.212CC..PPolyproline II helixtrans-70134.6168179.5-121-59.800109.2V37 Y38 Y185 W229 I234V37-M180 HydrophobicContact CG1-CE 3.81Å; V37-M180 WeakPolarHBondContact O-CB 3.44Å; V37-M180 PolarHBondContact O-N 3.27Å; Y38-M180 VanDerWaalsContact O-CE 3.29Å; Y38-M180 WeakPolarHBondContact O-CE 3.33Å; M180-Y185 HydrophobicContact CE-CD2 4.14Å; M180-Y185 HydrophobicContact SD-CD2 3.71Å; M180-Y185 HydrophobicContact SD-CG 4.13Å; M180-W229 HydrophobicContact CE-CH2 4.31Å; M180-W229 HydrophobicContact CE-CZ2 4.23Å; M180-W229 HydrophobicContact CG-CH2 4.13Å; M180-W229 HydrophobicContact SD-CH2 4.19Å; M180-I234 HydrophobicContact CB-CD1 3.75Å; M180-I234 HydrophobicContact CG-CD1 3.77Å
181L91.7Very high90.9Very high58 Ų5837.2 Ų37.230%0.30420%0.2SC..PPolyproline II helixtrans-98.9147.9174.8-59.3174.7000110.3K162 W164 S183 Q184 Y185K162-L181 HydrophobicContact CD-CD1 4.23Å; K162-L181 VanDerWaalsContact CE-CD1 3.48Å; W164-L181 HydrophobicContact CH2-CD1 4.01Å; L181-S183 VanDerWaalsContact C-N 3.26Å; L181-S183 PolarHBondContact O-N 3.45Å; L181-Q184 HydrophobicContact CB-CB 4.48Å; L181-Q184 HydrophobicContact CB-CG 4.11Å; L181-Q184 WeakPolarHBondContact O-CB 3.3Å; L181-Q184 PolarHBondContact O-N 3.44Å; L181-Y185 PolarHBondContact O-N 3.46Å
182D91.3Very high91Very high125 Ų12537.3 Ų37.367%0.66820%0.201SC*.Hα-helixtrans-58.2-36.9180-68.6-14.5000113Q184 Y185 W186D182-Q184 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 3.32Å; D182-Y185 WeakPolarHBondContact O-CB 3.25Å; D182-Y185 PolarHBondContact O-N 3.08Å; D182-W186 VanDerWaalsContact O-CD1 3.29Å; D182-W186 PolarHBondContact O-N 2.92Å; D182-W186 VanDerWaalsContact O-N 3.08Å
183S92.9Very high91.2Very high47 Ų4737 Ų3733%0.32920%0.2SC..Hα-helixtrans-63.3-39.8176600000112L181 Y187L181-S183 VanDerWaalsContact C-N 3.26Å; L181-S183 PolarHBondContact O-N 3.45Å; S183-Y187 WeakPolarHBondContact O-CB 3.45Å; S183-Y187 PolarHBondContact O-N 2.92Å; S183-Y187 VanDerWaalsContact O-N 3.08Å
184Q92.4Very high91.5Very high4 Ų434 Ų342%0.01918%0.181CC..Hα-helixtrans-70.7-38.8176.9-62.4174.5-33.500111L181 D182 Y187 Y188 I234 T238L181-Q184 HydrophobicContact CB-CB 4.48Å; L181-Q184 HydrophobicContact CB-CG 4.11Å; L181-Q184 WeakPolarHBondContact O-CB 3.3Å; L181-Q184 PolarHBondContact O-N 3.44Å; D182-Q184 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 3.32Å; Q184-Y187 PolarHBondContact O-N 3.49Å; Q184-Y188 VanDerWaalsContact O-CB 3.32Å; Q184-Y188 WeakPolarHBondContact O-CB 3.47Å; Q184-Y188 PolarHBondContact O-N 3.33Å; Q184-I234 HydrophobicContact CB-CG2 3.89Å; Q184-I234 HydrophobicContact CG-CG2 4.4Å; Q184-T238 HydrophobicContact CB-CG2 4.41Å; Q184-T238 HydrophobicContact CG-CG2 4.36Å
185Y93.7Very high91.8Very high41 Ų4132.1 Ų32.116%0.16116%0.158CC..Hα-helixtrans-54.9-57175178.7-89.2000111H43 M180 L181 D182 Y187 Y188 I189 W229H43-Y185 HydrophobicContact CB-CE2 4.06Å; H43-Y185 AromaticContact CG-CE2 3.9Å; H43-Y185 AromaticContact ND1-CE2 3.86Å; M180-Y185 HydrophobicContact CE-CD2 4.14Å; M180-Y185 HydrophobicContact SD-CD2 3.71Å; M180-Y185 HydrophobicContact SD-CG 4.13Å; L181-Y185 PolarHBondContact O-N 3.46Å; D182-Y185 WeakPolarHBondContact O-CB 3.25Å; D182-Y185 PolarHBondContact O-N 3.08Å; Y185-Y187 PolarHBondContact O-N 3.4Å; Y185-Y188 PolarHBondContact O-N 3.1Å; Y185-I189 HydrophobicContact CD1-CG1 4.16Å; Y185-I189 HydrophobicContact CD2-CG1 4.34Å; Y185-I189 HydrophobicContact CE1-CG1 3.85Å; Y185-I189 HydrophobicContact CE2-CD1 4.42Å; Y185-I189 HydrophobicContact CE2-CG1 4.04Å; Y185-I189 HydrophobicContact CG-CG1 4.38Å; Y185-I189 WeakPolarHBondContact O-CB 3.41Å; Y185-I189 VanDerWaalsContact O-CG1 3.26Å; Y185-I189 WeakPolarHBondContact O-CG1 3.43Å; Y185-I189 PolarHBondContact O-N 2.97Å; Y185-W229 AromaticContact CD2-CH2 3.62Å; Y185-W229 HydrophobicContact CD2-CH2 3.62Å; Y185-W229 AromaticContact CD2-CZ2 3.85Å; Y185-W229 HydrophobicContact CD2-CZ2 3.85Å; Y185-W229 HydrophobicContact CE2-CH2 4.32Å; Y185-W229 HydrophobicContact CE2-CZ2 4.14Å; Y185-W229 HydrophobicContact CG-CH2 4.34Å
186W93.8Very high92Very high124 Ų12432.4 Ų32.447%0.4716%0.164SC..Hα-helixtrans-65.4-39.6-177.4-75.9110.4000112.2Y50 D182 Y188 L190Y50-W186 HydrophobicContact CE2-CZ3 4.47Å; D182-W186 VanDerWaalsContact O-CD1 3.29Å; D182-W186 PolarHBondContact O-N 2.92Å; D182-W186 VanDerWaalsContact O-N 3.08Å; W186-Y188 PolarHBondContact O-N 3.47Å; W186-L190 VanDerWaalsContact O-CB 3.28Å; W186-L190 WeakPolarHBondContact O-CB 3.4Å; W186-L190 WeakPolarHBondContact O-CD1 3.38Å; W186-L190 WeakPolarHBondContact O-CG 3.46Å; W186-L190 PolarHBondContact O-N 3.29Å
187Y94.8Very high92.5Very high14 Ų1432.3 Ų32.36%0.05516%0.163CC..Hα-helixtrans-58.8-49.6175.6-175.5-146.4000110.9S183 Q184 Y185 E191 T238 M241 L242 D245S183-Y187 WeakPolarHBondContact O-CB 3.45Å; S183-Y187 PolarHBondContact O-N 2.92Å; S183-Y187 VanDerWaalsContact O-N 3.08Å; Q184-Y187 PolarHBondContact O-N 3.49Å; Y185-Y187 PolarHBondContact O-N 3.4Å; Y187-E191 WeakPolarHBondContact CE2-OE2 3.32Å; Y187-E191 VanDerWaalsContact O-CB 3.28Å; Y187-E191 WeakPolarHBondContact O-CB 3.33Å; Y187-E191 PolarHBondContact O-N 2.65Å; Y187-T238 HydrophobicContact CD1-CG2 4.07Å; Y187-M241 HydrophobicContact CD1-CE 3.92Å; Y187-M241 HydrophobicContact CE1-CB 4.18Å; Y187-M241 HydrophobicContact CE1-CE 3.88Å; Y187-M241 HydrophobicContact CG-CE 4.46Å; Y187-M241 WeakPolarHBondContact OH-CB 3.25Å; Y187-L242 WeakPolarHBondContact OH-CA 3.34Å; Y187-L242 PolarHBondContact OH-N 2.98Å; Y187-D245 PolarHBondContact OH-OD2 2.91Å
188Y94.6Very high92.7Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-63.7-45.4-179.5-138.5-80.2000113.4Q184 Y185 W186 M192 L225 S228 W229 I234 T238 M241Q184-Y188 VanDerWaalsContact O-CB 3.32Å; Q184-Y188 WeakPolarHBondContact O-CB 3.47Å; Q184-Y188 PolarHBondContact O-N 3.33Å; Y185-Y188 PolarHBondContact O-N 3.1Å; W186-Y188 PolarHBondContact O-N 3.47Å; Y188-M192 HydrophobicContact CD1-CE 3.93Å; Y188-M192 HydrophobicContact CE1-CE 3.59Å; Y188-M192 VanDerWaalsContact O-CB 3.26Å; Y188-M192 WeakPolarHBondContact O-CB 3.26Å; Y188-M192 PolarHBondContact O-N 3.15Å; Y188-L225 HydrophobicContact CE1-CB 3.83Å; Y188-L225 HydrophobicContact CE1-CD2 3.99Å; Y188-L225 HydrophobicContact CE1-CG 4.48Å; Y188-L225 VanDerWaalsContact CE1-O 3.29Å; Y188-L225 WeakPolarHBondContact CE1-O 3.42Å; Y188-L225 HydrophobicContact CE2-CD2 4.33Å; Y188-L225 VanDerWaalsContact OH-CA 3.28Å; Y188-L225 WeakPolarHBondContact OH-CA 3.15Å; Y188-L225 WeakPolarHBondContact OH-CD2 3.34Å; Y188-L225 PolarHBondContact OH-O 2.83Å; Y188-S228 WeakPolarHBondContact OH-CB 3.31Å; Y188-S228 PolarHBondContact OH-OG 2.92Å; Y188-W229 HydrophobicContact CD1-CD2 4.35Å; Y188-W229 AromaticContact CD1-CE3 3.62Å; Y188-W229 HydrophobicContact CD1-CE3 3.62Å; Y188-W229 HydrophobicContact CD1-CZ3 4.22Å; Y188-W229 AromaticContact CD2-CE3 3.96Å; Y188-W229 HydrophobicContact CD2-CE3 3.96Å; Y188-W229 HydrophobicContact CD2-CZ3 4.2Å; Y188-W229 HydrophobicContact CE1-CB 3.94Å; Y188-W229 HydrophobicContact CE1-CE3 4.03Å; Y188-W229 HydrophobicContact CE2-CE3 4.36Å; Y188-W229 AromaticContact CG-CE3 3.57Å; Y188-W229 HydrophobicContact CG-CE3 3.57Å; Y188-W229 AromaticContact CG-CZ3 3.79Å; Y188-W229 HydrophobicContact CG-CZ3 3.79Å; Y188-I234 HydrophobicContact CD2-CG2 4.5Å; Y188-T238 HydrophobicContact CD2-CG2 4.42Å; Y188-M241 HydrophobicContact CD2-CE 3.52Å; Y188-M241 HydrophobicContact CD2-SD 4.41Å; Y188-M241 HydrophobicContact CE2-CE 3.88Å; Y188-M241 HydrophobicContact CG-CE 4.1Å
189I94.5Very high92.8Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-67.2-43.6-177.7-66.6-62.8000110.5T47 Y50 Y185 S193T47-I189 HydrophobicContact CG2-CD1 3.72Å; T47-I189 HydrophobicContact CG2-CG2 4.34Å; Y50-I189 HydrophobicContact CD2-CG2 4.07Å; Y50-I189 HydrophobicContact CE2-CG2 4.42Å; Y185-I189 HydrophobicContact CD1-CG1 4.16Å; Y185-I189 HydrophobicContact CD2-CG1 4.34Å; Y185-I189 HydrophobicContact CE1-CG1 3.85Å; Y185-I189 HydrophobicContact CE2-CD1 4.42Å; Y185-I189 HydrophobicContact CE2-CG1 4.04Å; Y185-I189 HydrophobicContact CG-CG1 4.38Å; Y185-I189 WeakPolarHBondContact O-CB 3.41Å; Y185-I189 VanDerWaalsContact O-CG1 3.26Å; Y185-I189 WeakPolarHBondContact O-CG1 3.43Å; Y185-I189 PolarHBondContact O-N 2.97Å; I189-S193 WeakPolarHBondContact O-CB 3.36Å; I189-S193 PolarHBondContact O-N 3.48Å; I189-S193 PolarHBondContact O-OG 3.06Å
190L94.6Very high92.7Very high68 Ų6831 Ų3136%0.35616%0.162SC..Hα-helixtrans-65.5-45.1178.6-68.3171.8000111.4F54 W186 S193 F194F54-L190 HydrophobicContact CE2-CD2 4.18Å; F54-L190 HydrophobicContact CZ-CD2 3.92Å; W186-L190 VanDerWaalsContact O-CB 3.28Å; W186-L190 WeakPolarHBondContact O-CB 3.4Å; W186-L190 WeakPolarHBondContact O-CD1 3.38Å; W186-L190 WeakPolarHBondContact O-CG 3.46Å; W186-L190 PolarHBondContact O-N 3.29Å; L190-S193 PolarHBondContact O-N 2.93Å; L190-F194 WeakPolarHBondContact O-CB 3.45Å; L190-F194 PolarHBondContact O-N 3.03Å
191E94.5Very high92.5Very high2 Ų230.9 Ų30.91%0.00916%0.162CC..Hα-helixtrans-60.6-51.3178.7-154.966.2-136.100111.1A151 Y187 S193 F194 Y195 M241A151-E191 WeakPolarHBondContact CB-OE2 3.49Å; Y187-E191 WeakPolarHBondContact CE2-OE2 3.32Å; Y187-E191 VanDerWaalsContact O-CB 3.28Å; Y187-E191 WeakPolarHBondContact O-CB 3.33Å; Y187-E191 PolarHBondContact O-N 2.65Å; E191-S193 VanDerWaalsContact C-N 3.33Å; E191-S193 PolarHBondContact O-N 3.31Å; E191-F194 PolarHBondContact O-N 2.7Å; E191-Y195 HydrophobicContact CG-CD2 4.05Å; E191-Y195 HydrophobicContact CG-CE2 3.7Å; E191-Y195 WeakPolarHBondContact O-CD2 3.19Å; E191-Y195 PolarHBondContact O-N 3.12Å; E191-M241 HydrophobicContact CB-SD 3.75Å; E191-M241 HydrophobicContact CG-CG 4.22Å; E191-M241 HydrophobicContact CG-SD 3.62Å
192M94.2Very high92.1Very high5 Ų529.3 Ų29.33%0.02515%0.154CC..Hα-helixtrans-63.3-39.5179.5-170.1179.2-70.400112.3L44 T47 Y188 F194 Y195 G196 L222 L225L44-M192 HydrophobicContact CD2-CE 3.8Å; L44-M192 HydrophobicContact CD2-SD 3.67Å; T47-M192 HydrophobicContact CG2-CB 4.12Å; T47-M192 HydrophobicContact CG2-CG 4.11Å; T47-M192 HydrophobicContact CG2-SD 3.8Å; Y188-M192 HydrophobicContact CD1-CE 3.93Å; Y188-M192 HydrophobicContact CE1-CE 3.59Å; Y188-M192 VanDerWaalsContact O-CB 3.26Å; Y188-M192 WeakPolarHBondContact O-CB 3.26Å; Y188-M192 PolarHBondContact O-N 3.15Å; M192-F194 VanDerWaalsContact C-N 3.33Å; M192-F194 PolarHBondContact O-N 2.98Å; M192-Y195 PolarHBondContact O-N 3.46Å; M192-G196 PolarHBondContact O-N 2.95Å; M192-L222 HydrophobicContact CG-CD2 3.86Å; M192-L225 VanDerWaalsContact CE-C 3.46Å; M192-L225 HydrophobicContact CE-CB 3.45Å; M192-L225 VanDerWaalsContact CE-CB 3.45Å
193S95.1Very high91.4Very high1 Ų126.5 Ų26.51%0.00715%0.148CC..Hα-helixtrans-65.1-37.7177.2-59.40000111.9T47 Y50 A51 I189 L190 E191 G196 C197T47-S193 VanDerWaalsContact CA-OG 3.31Å; T47-S193 WeakPolarHBondContact CA-OG 3.42Å; T47-S193 PolarHBondContact O-OG 3.17Å; Y50-S193 VanDerWaalsContact CB-OG 3.24Å; Y50-S193 WeakPolarHBondContact CB-OG 3.28Å; A51-S193 WeakPolarHBondContact CA-O 3.32Å; A51-S193 VanDerWaalsContact CB-O 3.28Å; A51-S193 WeakPolarHBondContact CB-O 3.31Å; I189-S193 WeakPolarHBondContact O-CB 3.36Å; I189-S193 PolarHBondContact O-N 3.48Å; I189-S193 PolarHBondContact O-OG 3.06Å; L190-S193 PolarHBondContact O-N 2.93Å; E191-S193 VanDerWaalsContact C-N 3.33Å; E191-S193 PolarHBondContact O-N 3.31Å; S193-G196 PolarHBondContact O-N 3.27Å; S193-C197 WeakPolarHBondContact O-CB 3.41Å; S193-C197 PolarHBondContact O-N 3.03Å
194F94.1Very high90.8Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-68.9-44.6175.7177.6-101.8000112.3W143 R144 F147 Y148 L190 E191 M192 G196 C197 L198W143-F194 HydrophobicContact CZ2-CE2 4.36Å; W143-F194 AromaticContact NE1-CE2 3.53Å; R144-F194 HydrophobicContact CG-CZ 4.42Å; F147-F194 HydrophobicContact CB-CD2 4.04Å; F147-F194 HydrophobicContact CB-CE1 4.35Å; F147-F194 HydrophobicContact CB-CE2 3.48Å; F147-F194 VanDerWaalsContact CB-CE2 3.48Å; F147-F194 HydrophobicContact CB-CZ 3.67Å; F147-F194 HydrophobicContact CD1-CB 4.22Å; F147-F194 AromaticContact CD1-CD1 3.22Å; F147-F194 HydrophobicContact CD1-CD1 3.22Å; F147-F194 AromaticContact CD1-CD2 3.65Å; F147-F194 HydrophobicContact CD1-CD2 3.65Å; F147-F194 AromaticContact CD1-CE1 3.21Å; F147-F194 HydrophobicContact CD1-CE1 3.21Å; F147-F194 AromaticContact CD1-CE2 3.65Å; F147-F194 HydrophobicContact CD1-CE2 3.65Å; F147-F194 AromaticContact CD1-CG 3.42Å; F147-F194 HydrophobicContact CD1-CG 3.42Å; F147-F194 VanDerWaalsContact CD1-CG 3.42Å; F147-F194 AromaticContact CD1-CZ 3.44Å; F147-F194 HydrophobicContact CD1-CZ 3.44Å; F147-F194 VanDerWaalsContact CD1-CZ 3.44Å; F147-F194 HydrophobicContact CD2-CB 4.05Å; F147-F194 HydrophobicContact CD2-CD1 4.35Å; F147-F194 AromaticContact CD2-CD2 3.33Å; F147-F194 HydrophobicContact CD2-CD2 3.33Å; F147-F194 AromaticContact CD2-CE2 3.74Å; F147-F194 HydrophobicContact CD2-CE2 3.74Å; F147-F194 AromaticContact CD2-CG 3.67Å; F147-F194 HydrophobicContact CD2-CG 3.67Å; F147-F194 HydrophobicContact CD2-CZ 4.4Å; F147-F194 HydrophobicContact CE1-CB 3.6Å; F147-F194 AromaticContact CE1-CD1 3.12Å; F147-F194 HydrophobicContact CE1-CD1 3.12Å; F147-F194 AromaticContact CE1-CD2 3.94Å; F147-F194 HydrophobicContact CE1-CD2 3.94Å; F147-F194 AromaticContact CE1-CE1 3.64Å; F147-F194 HydrophobicContact CE1-CE1 3.64Å; F147-F194 HydrophobicContact CE1-CE2 4.37Å; F147-F194 AromaticContact CE1-CG 3.28Å; F147-F194 HydrophobicContact CE1-CG 3.28Å; F147-F194 HydrophobicContact CE1-CZ 4.24Å; F147-F194 HydrophobicContact CE2-CB 3.39Å; F147-F194 HydrophobicContact CE2-CD1 4.26Å; F147-F194 AromaticContact CE2-CD2 3.65Å; F147-F194 HydrophobicContact CE2-CD2 3.65Å; F147-F194 HydrophobicContact CE2-CE2 4.45Å; F147-F194 AromaticContact CE2-CG 3.52Å; F147-F194 HydrophobicContact CE2-CG 3.52Å; F147-F194 HydrophobicContact CG-CB 4.42Å; F147-F194 AromaticContact CG-CD1 3.88Å; F147-F194 HydrophobicContact CG-CD1 3.88Å; F147-F194 AromaticContact CG-CD2 3.34Å; F147-F194 HydrophobicContact CG-CD2 3.34Å; F147-F194 AromaticContact CG-CE1 3.82Å; F147-F194 HydrophobicContact CG-CE1 3.82Å; F147-F194 AromaticContact CG-CE2 3.29Å; F147-F194 HydrophobicContact CG-CE2 3.29Å; F147-F194 AromaticContact CG-CG 3.62Å; F147-F194 HydrophobicContact CG-CG 3.62Å; F147-F194 AromaticContact CG-CZ 3.54Å; F147-F194 HydrophobicContact CG-CZ 3.54Å; F147-F194 HydrophobicContact CZ-CB 3.14Å; F147-F194 AromaticContact CZ-CD1 3.7Å; F147-F194 HydrophobicContact CZ-CD1 3.7Å; F147-F194 AromaticContact CZ-CD2 3.95Å; F147-F194 HydrophobicContact CZ-CD2 3.95Å; F147-F194 AromaticContact CZ-CG 3.33Å; F147-F194 HydrophobicContact CZ-CG 3.33Å; Y148-F194 HydrophobicContact CD1-CE1 4.5Å; Y148-F194 AromaticContact CE1-CE1 3.82Å; Y148-F194 HydrophobicContact CE1-CE1 3.82Å; Y148-F194 AromaticContact CZ-CE1 3.9Å; L190-F194 WeakPolarHBondContact O-CB 3.45Å; L190-F194 PolarHBondContact O-N 3.03Å; E191-F194 PolarHBondContact O-N 2.7Å; M192-F194 VanDerWaalsContact C-N 3.33Å; M192-F194 PolarHBondContact O-N 2.98Å; F194-G196 VanDerWaalsContact C-N 3.28Å; F194-G196 PolarHBondContact O-N 3.47Å; F194-C197 CarbonylContact O-C 3.59Å; F194-C197 WeakPolarHBondContact O-CA 3.42Å; F194-C197 VanDerWaalsContact O-CB 3.3Å; F194-C197 WeakPolarHBondContact O-CB 3.31Å; F194-C197 PolarHBondContact O-N 3.17Å; F194-C197 VanDerWaalsContact O-N 3.11Å; F194-L198 HydrophobicContact CD1-CD1 3.91Å; F194-L198 HydrophobicContact CD1-CG 4.23Å; F194-L198 HydrophobicContact CE1-CD1 3.37Å; F194-L198 HydrophobicContact CE1-CD2 4.4Å; F194-L198 HydrophobicContact CE1-CG 3.87Å; F194-L198 HydrophobicContact CZ-CD1 3.88Å; F194-L198 HydrophobicContact CZ-CD2 4.08Å; F194-L198 HydrophobicContact CZ-CG 4.01Å; F194-L198 WeakPolarHBondContact O-CG 3.27Å; F194-L198 PolarHBondContact O-N 3.01Å
195Y91.4Very high90.2Very high12 Ų1232.5 Ų32.55%0.04717%0.169CC..Hα-helixtrans-61.7-37.1173.4-77.3-65000112.2E191 M192 L198 L199 L225E191-Y195 HydrophobicContact CG-CD2 4.05Å; E191-Y195 HydrophobicContact CG-CE2 3.7Å; E191-Y195 WeakPolarHBondContact O-CD2 3.19Å; E191-Y195 PolarHBondContact O-N 3.12Å; M192-Y195 PolarHBondContact O-N 3.46Å; Y195-L198 HydrophobicContact CD1-CD1 4.33Å; Y195-L198 PolarHBondContact O-N 3.21Å; Y195-L199 PolarHBondContact O-N 2.88Å; Y195-L225 HydrophobicContact CD2-CD1 4.26Å
196G91.7Very high89.2Confident15 Ų1531.7 Ų31.716%0.15517%0.169CC..Hα-helixtrans-61.2-45.1170.600000112.2M192 S193 F194 L198 L199 C200M192-G196 PolarHBondContact O-N 2.95Å; S193-G196 PolarHBondContact O-N 3.27Å; F194-G196 VanDerWaalsContact C-N 3.28Å; F194-G196 PolarHBondContact O-N 3.47Å; G196-L198 PolarHBondContact O-N 3.48Å; G196-L199 PolarHBondContact O-N 3.47Å; G196-C200 PolarHBondContact O-N 3.39Å; G196-C200 PolarHBondContact O-SG 3.19Å; G196-C200 VanDerWaalsContact O-SG 3.4Å
197C93.1Very high88.4Confident0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-58.5-44.7173.8169.80000111.8A51 F54 L55 S193 F194 C200 S201A51-C197 HydrophobicContact CB-CB 4.39Å; F54-C197 HydrophobicContact CB-CB 3.83Å; L55-C197 WeakPolarHBondContact CD2-SG 3.46Å; L55-C197 HydrophobicContact CG-CB 4.47Å; S193-C197 WeakPolarHBondContact O-CB 3.41Å; S193-C197 PolarHBondContact O-N 3.03Å; F194-C197 CarbonylContact O-C 3.59Å; F194-C197 WeakPolarHBondContact O-CA 3.42Å; F194-C197 VanDerWaalsContact O-CB 3.3Å; F194-C197 WeakPolarHBondContact O-CB 3.31Å; F194-C197 PolarHBondContact O-N 3.17Å; F194-C197 VanDerWaalsContact O-N 3.11Å; C197-C200 PolarHBondContact O-N 3.34Å; C197-S201 WeakPolarHBondContact O-CB 3.29Å; C197-S201 PolarHBondContact O-N 3.48Å; C197-S201 PolarHBondContact O-OG 2.73Å
198L89.9Confident87.4Confident2 Ų236 Ų361%0.0119%0.189CC..Hα-helixtrans-63-40.5176.7-72.1-178.5000112.2R144 F194 Y195 G196 C200 S201 I202R144-L198 HydrophobicContact CG-CD2 4.39Å; F194-L198 HydrophobicContact CD1-CD1 3.91Å; F194-L198 HydrophobicContact CD1-CG 4.23Å; F194-L198 HydrophobicContact CE1-CD1 3.37Å; F194-L198 HydrophobicContact CE1-CD2 4.4Å; F194-L198 HydrophobicContact CE1-CG 3.87Å; F194-L198 HydrophobicContact CZ-CD1 3.88Å; F194-L198 HydrophobicContact CZ-CD2 4.08Å; F194-L198 HydrophobicContact CZ-CG 4.01Å; F194-L198 WeakPolarHBondContact O-CG 3.27Å; F194-L198 PolarHBondContact O-N 3.01Å; Y195-L198 HydrophobicContact CD1-CD1 4.33Å; Y195-L198 PolarHBondContact O-N 3.21Å; G196-L198 PolarHBondContact O-N 3.48Å; L198-C200 VanDerWaalsContact C-N 3.34Å; L198-C200 PolarHBondContact O-N 3.4Å; L198-S201 WeakPolarHBondContact CA-OG 3.42Å; L198-S201 PolarHBondContact O-N 2.95Å; L198-S201 PolarHBondContact O-OG 3.49Å; L198-I202 WeakPolarHBondContact O-CB 3.26Å; L198-I202 PolarHBondContact O-N 3.2Å
199L89.3Confident86.3Confident59 Ų5943.1 Ų43.131%0.30922%0.22SC..Hα-helixtrans-63.2-40.8175.4-176.265.3000111.4Y195 G196 I202 H218 L222Y195-L199 PolarHBondContact O-N 2.88Å; G196-L199 PolarHBondContact O-N 3.47Å; L199-I202 WeakPolarHBondContact O-CG2 3.45Å; L199-H218 HydrophobicContact CD1-CB 4.26Å; L199-L222 HydrophobicContact CB-CD1 4.32Å; L199-L222 HydrophobicContact CD2-CD1 3.68Å
200C88Confident85.5Confident65 Ų6545.1 Ų45.144%0.43923%0.23SC..Hα-helixtrans-68.1-39.6175.3-67.90000112.5L55 G196 C197 L198 I202L55-C200 HydrophobicContact CD1-CB 4.16Å; G196-C200 PolarHBondContact O-N 3.39Å; G196-C200 PolarHBondContact O-SG 3.19Å; G196-C200 VanDerWaalsContact O-SG 3.4Å; C197-C200 PolarHBondContact O-N 3.34Å; L198-C200 VanDerWaalsContact C-N 3.34Å; L198-C200 PolarHBondContact O-N 3.4Å; C200-I202 VanDerWaalsContact C-N 3.3Å; C200-I202 PolarHBondContact O-N 3.36Å
201S86.2Confident84.9Confident7 Ų744.4 Ų44.45%0.04922%0.224CC..Hα-helixtrans-76.2-17.6-178.870.20000113.5R58 C197 L198 A203 F204 D205R58-S201 PolarHBondContact NH1-OG 2.95Å; C197-S201 WeakPolarHBondContact O-CB 3.29Å; C197-S201 PolarHBondContact O-N 3.48Å; C197-S201 PolarHBondContact O-OG 2.73Å; L198-S201 WeakPolarHBondContact CA-OG 3.42Å; L198-S201 PolarHBondContact O-N 2.95Å; L198-S201 PolarHBondContact O-OG 3.49Å; S201-A203 PolarHBondContact O-N 3.35Å; S201-F204 PolarHBondContact O-N 2.96Å; S201-D205 VanDerWaalsContact O-CG 3.28Å; S201-D205 PolarHBondContact O-N 3.33Å; S201-D205 PolarHBondContact OG-OD2 3.47Å
202I83.1Confident84.5Confident24 Ų2451.6 Ų51.612%0.12326%0.256CS..THydrogen-bonded Turntrans-57.1-29-173.4-151.6161000113.5L198 L199 C200 F204 F211 I215L198-I202 WeakPolarHBondContact O-CB 3.26Å; L198-I202 PolarHBondContact O-N 3.2Å; L199-I202 WeakPolarHBondContact O-CG2 3.45Å; C200-I202 VanDerWaalsContact C-N 3.3Å; C200-I202 PolarHBondContact O-N 3.36Å; I202-F204 VanDerWaalsContact C-N 3.31Å; I202-F204 PolarHBondContact O-N 3.08Å; I202-F211 HydrophobicContact CD1-CE2 4.45Å; I202-F211 HydrophobicContact CG1-CD2 4.31Å; I202-F211 HydrophobicContact CG1-CE2 3.78Å; I202-I215 HydrophobicContact CD1-CG1 3.61Å; I202-I215 HydrophobicContact CG1-CG1 4.5Å
203A77.7Confident84.2Confident66 Ų6654.1 Ų54.155%0.54527%0.267SS..THydrogen-bonded Turntrans-70.1-28177.400000113.1S201S201-A203 PolarHBondContact O-N 3.35Å
204F79.4Confident83.7Confident163 Ų16356.4 Ų56.472%0.71528%0.278SS*.THydrogen-bonded Turntrans-103.2-22.1-177.5-56.8-71.3000113.2K136 S201 I202K136-F204 PolarHBondContact NZ-O 3.45Å; S201-F204 PolarHBondContact O-N 2.96Å; I202-F204 VanDerWaalsContact C-N 3.31Å; I202-F204 PolarHBondContact O-N 3.08Å
205D80.4Confident83.5Confident15 Ų1559.1 Ų59.18%0.0829%0.292CS..SBendtrans-66.3162.4176.4-74.5-8.5000111.5R58 R144 S201 K207R58-D205 IonicContact CZ-OD1 2.65Å; R58-D205 VanDerWaalsContact CZ-OD1 3.32Å; R58-D205 IonicContact CZ-OD2 3.61Å; R58-D205 IonicContact NH1-OD1 3.92Å; R58-D205 PolarHBondContact NH1-OD1 2.88Å; R58-D205 VanDerWaalsContact NH1-OD1 3.1Å; R58-D205 IonicContact NH1-OD2 2.7Å; R58-D205 PolarHBondContact NH1-OD2 2.85Å; R58-D205 IonicContact NH2-OD1 3.2Å; R58-D205 PolarHBondContact NH2-OD1 2.9Å; R58-D205 IonicContact NH2-OD2 3.46Å; R144-D205 IonicContact NH2-OD2 3.58Å; R144-D205 PolarHBondContact NH2-OD2 3.17Å; S201-D205 VanDerWaalsContact O-CG 3.28Å; S201-D205 PolarHBondContact O-N 3.33Å; S201-D205 PolarHBondContact OG-OD2 3.47Å; D205-K207 PolarHBondContact O-N 3.21Å; D205-K207 VanDerWaalsContact O-N 3.11Å
206V73.8Confident83.4Confident24 Ų2463 Ų6315%0.14531%0.312CS..  trans-61115.1174.71710000110.6P132 K136 K137 E140 R208P132-V206 HydrophobicContact CB-CB 4.42Å; P132-V206 HydrophobicContact CB-CG1 4.34Å; P132-V206 HydrophobicContact CB-CG2 3.35Å; P132-V206 HydrophobicContact CG-CB 3.87Å; P132-V206 HydrophobicContact CG-CG1 3.3Å; P132-V206 HydrophobicContact CG-CG2 3.3Å; K136-V206 HydrophobicContact CD-CG2 4.14Å; K136-V206 HydrophobicContact CG-CG2 4.34Å; K137-V206 HydrophobicContact CG-CG2 4.31Å; E140-V206 PolarHBondContact OE1-N 3.45Å; V206-R208 PolarHBondContact O-N 3.4Å
207K75.9Confident83.4Confident149 Ų14962.9 Ų62.965%0.64831%0.308SS*.  trans-66120.1174.6-63.4-175.4-178.6179.40110.1D205 F211D205-K207 PolarHBondContact O-N 3.21Å; D205-K207 VanDerWaalsContact O-N 3.11Å; K207-F211 HydrophobicContact CB-CD2 4.31Å; K207-F211 HydrophobicContact CG-CD2 4.08Å; K207-F211 HydrophobicContact CG-CE2 4Å
208R73.3Confident83.3Confident80 Ų8063 Ų6330%0.30231%0.309SS..  trans-97.9170.6176.9-59.5-177.3-176.7-125.6-1.2110.3V206 D210 F211V206-R208 PolarHBondContact O-N 3.4Å; R208-D210 VanDerWaalsContact C-N 3.25Å; R208-D210 WeakPolarHBondContact CB-OD1 3.39Å; R208-D210 PolarHBondContact O-N 3.2Å; R208-F211 VanDerWaalsContact O-CB 3.24Å; R208-F211 WeakPolarHBondContact O-CB 3.43Å; R208-F211 PolarHBondContact O-N 3.2Å
209K71.8Confident83.4Confident149 Ų14967.7 Ų67.765%0.64833%0.333SS*.THydrogen-bonded Turntrans-65.3-32.3-177.4-67.9-173.7176.5-174.60112.5F211 E353K209-F211 VanDerWaalsContact C-N 3.29Å; K209-F211 PolarHBondContact O-N 2.96Å; K209-E353 PolarHBondContact NZ-O 2.92Å
210D78.1Confident83.5Confident41 Ų4165.2 Ų65.222%0.21932%0.321CS..THydrogen-bonded Turntrans-91.125.5178.157.8-29.4000112.9R208 K212 E213 Q214R208-D210 VanDerWaalsContact C-N 3.25Å; R208-D210 WeakPolarHBondContact CB-OD1 3.39Å; R208-D210 PolarHBondContact O-N 3.2Å; D210-K212 VanDerWaalsContact C-N 3.33Å; D210-K212 PolarHBondContact O-N 3.47Å; D210-E213 VanDerWaalsContact CA-OE2 3.25Å; D210-E213 WeakPolarHBondContact CA-OE2 3.36Å; D210-E213 PolarHBondContact O-N 2.92Å; D210-Q214 WeakPolarHBondContact O-CB 3.43Å; D210-Q214 PolarHBondContact O-N 2.86Å
211F81.6Confident83.7Confident54 Ų5462.6 Ų62.624%0.23730%0.303CS..Hα-helixtrans-59.8-39.1-174.7175.6-98000113.3I202 K207 R208 K209 I215I202-F211 HydrophobicContact CD1-CE2 4.45Å; I202-F211 HydrophobicContact CG1-CD2 4.31Å; I202-F211 HydrophobicContact CG1-CE2 3.78Å; K207-F211 HydrophobicContact CB-CD2 4.31Å; K207-F211 HydrophobicContact CG-CD2 4.08Å; K207-F211 HydrophobicContact CG-CE2 4Å; R208-F211 VanDerWaalsContact O-CB 3.24Å; R208-F211 WeakPolarHBondContact O-CB 3.43Å; R208-F211 PolarHBondContact O-N 3.2Å; K209-F211 VanDerWaalsContact C-N 3.29Å; K209-F211 PolarHBondContact O-N 2.96Å; F211-I215 HydrophobicContact CD1-CD1 3.82Å; F211-I215 HydrophobicContact CE1-CD1 3.27Å; F211-I215 HydrophobicContact CE1-CG1 4.42Å; F211-I215 HydrophobicContact CE2-CD1 4.22Å; F211-I215 HydrophobicContact CG-CD1 4.49Å; F211-I215 HydrophobicContact CZ-CD1 3.51Å; F211-I215 HydrophobicContact CZ-CG1 4.44Å; F211-I215 WeakPolarHBondContact O-CG1 3.27Å; F211-I215 PolarHBondContact O-N 3.36Å; F211-I215 VanDerWaalsContact O-N 3.08Å
212K86.2Confident84.1Confident153 Ų15363.5 Ų63.567%0.66531%0.307SS*.Hα-helixtrans-70.5-44.8-178.2-68.2-178.2-179.3177.80110.6D210 Q214 I215 I216D210-K212 VanDerWaalsContact C-N 3.33Å; D210-K212 PolarHBondContact O-N 3.47Å; K212-Q214 VanDerWaalsContact C-N 3.3Å; K212-Q214 PolarHBondContact O-N 3.19Å; K212-I215 PolarHBondContact O-N 2.81Å; K212-I216 WeakPolarHBondContact O-CG1 3.46Å; K212-I216 PolarHBondContact O-N 2.99Å
213E87.6Confident84.6Confident57 Ų5765 Ų6527%0.26632%0.317SS..Hα-helixtrans-62.7-40.4177.7-61.776.1-167.500110.1D210 I215 I216 H217 F323D210-E213 VanDerWaalsContact CA-OE2 3.25Å; D210-E213 WeakPolarHBondContact CA-OE2 3.36Å; D210-E213 PolarHBondContact O-N 2.92Å; E213-I215 PolarHBondContact O-N 2.93Å; E213-I216 PolarHBondContact O-N 3.37Å; E213-H217 WeakPolarHBondContact O-CB 3.39Å; E213-H217 PolarHBondContact O-N 3.5Å; E213-F323 HydrophobicContact CB-CE1 4.15Å; E213-F323 HydrophobicContact CG-CD1 4.29Å; E213-F323 HydrophobicContact CG-CE1 3.74Å; E213-F323 HydrophobicContact CG-CZ 4Å
214Q84.9Confident85.4Confident50 Ų5062.3 Ų62.323%0.23429%0.294CS..Hα-helixtrans-63.5-40.2174.5-160.768700112D210 K212 H217 H218 W324D210-Q214 WeakPolarHBondContact O-CB 3.43Å; D210-Q214 PolarHBondContact O-N 2.86Å; K212-Q214 VanDerWaalsContact C-N 3.3Å; K212-Q214 PolarHBondContact O-N 3.19Å; Q214-H217 PolarHBondContact O-N 3.09Å; Q214-H218 PolarHBondContact NE2-CE1 3.31Å; Q214-H218 VanDerWaalsContact NE2-CE1 3.31Å; Q214-H218 PolarHBondContact O-N 3Å; Q214-H218 PolarHBondContact O-ND1 3.24Å; Q214-W324 VanDerWaalsContact OE1-CZ2 3.27Å
215I89.4Confident86.1Confident56 Ų5655 Ų5529%0.28726%0.262SS..Hα-helixtrans-64.1-49174.4-72.3167.3000110.9I202 F211 K212 E213 H217 H218 L219I202-I215 HydrophobicContact CD1-CG1 3.61Å; I202-I215 HydrophobicContact CG1-CG1 4.5Å; F211-I215 HydrophobicContact CD1-CD1 3.82Å; F211-I215 HydrophobicContact CE1-CD1 3.27Å; F211-I215 HydrophobicContact CE1-CG1 4.42Å; F211-I215 HydrophobicContact CE2-CD1 4.22Å; F211-I215 HydrophobicContact CG-CD1 4.49Å; F211-I215 HydrophobicContact CZ-CD1 3.51Å; F211-I215 HydrophobicContact CZ-CG1 4.44Å; F211-I215 WeakPolarHBondContact O-CG1 3.27Å; F211-I215 PolarHBondContact O-N 3.36Å; F211-I215 VanDerWaalsContact O-N 3.08Å; K212-I215 PolarHBondContact O-N 2.81Å; E213-I215 PolarHBondContact O-N 2.93Å; I215-H217 PolarHBondContact O-N 3.42Å; I215-H218 PolarHBondContact O-N 2.91Å; I215-L219 PolarHBondContact O-N 3.37Å
216I90.4Very high86.7Confident94 Ų9456.2 Ų56.248%0.48227%0.272SS..Hα-helixtrans-57.5-42.7179.7-68.1166.4000109.6K212 E213 L219 A220 L320K212-I216 WeakPolarHBondContact O-CG1 3.46Å; K212-I216 PolarHBondContact O-N 2.99Å; E213-I216 PolarHBondContact O-N 3.37Å; I216-L219 PolarHBondContact O-N 3.47Å; I216-A220 VanDerWaalsContact O-CB 3.25Å; I216-A220 WeakPolarHBondContact O-CB 3.49Å; I216-A220 PolarHBondContact O-N 3.05Å; I216-L320 HydrophobicContact CG2-CD1 4.36Å
217H91.7Very high87.6Confident12 Ų1256 Ų566%0.05627%0.269CS..Hα-helixtrans-60-52.6174.8176.284.6000113.1E213 Q214 I215 L219 A220 T221 L317 L320 W324E213-H217 WeakPolarHBondContact O-CB 3.39Å; E213-H217 PolarHBondContact O-N 3.5Å; Q214-H217 PolarHBondContact O-N 3.09Å; I215-H217 PolarHBondContact O-N 3.42Å; H217-L219 VanDerWaalsContact C-N 3.26Å; H217-L219 PolarHBondContact O-N 2.98Å; H217-A220 CarbonylContact O-C 3.59Å; H217-A220 PolarHBondContact O-N 3.25Å; H217-A220 VanDerWaalsContact O-N 3.09Å; H217-T221 WeakPolarHBondContact O-CG2 3.17Å; H217-T221 PolarHBondContact O-N 3.32Å; H217-T221 PolarHBondContact O-OG1 3.17Å; H217-L317 VanDerWaalsContact ND1-CD1 3.34Å; H217-L317 WeakPolarHBondContact ND1-CD1 3.47Å; H217-L320 HydrophobicContact CB-CD1 4Å; H217-W324 HydrophobicContact CB-CH2 3.53Å; H217-W324 HydrophobicContact CB-CZ2 4.21Å; H217-W324 HydrophobicContact CB-CZ3 4.5Å; H217-W324 AromaticContact CE1-CZ3 3.96Å; H217-W324 AromaticContact CG-CH2 3.42Å; H217-W324 VanDerWaalsContact CG-CH2 3.42Å; H217-W324 AromaticContact ND1-CH2 3.4Å; H217-W324 WeakPolarHBondContact ND1-CH2 3.47Å; H217-W324 AromaticContact ND1-CZ3 3.57Å
218H91.2Very high88.4Confident4 Ų449 Ų492%0.01924%0.239CC..Hα-helixtrans-61.5-37.6-178.8-76.376.2000111.8L199 Q214 I215 T221 L222L199-H218 HydrophobicContact CD1-CB 4.26Å; Q214-H218 PolarHBondContact NE2-CE1 3.31Å; Q214-H218 VanDerWaalsContact NE2-CE1 3.31Å; Q214-H218 PolarHBondContact O-N 3Å; Q214-H218 PolarHBondContact O-ND1 3.24Å; I215-H218 PolarHBondContact O-N 2.91Å; H218-T221 WeakPolarHBondContact CA-OG1 3.25Å; H218-T221 PolarHBondContact O-OG1 3.16Å; H218-T221 VanDerWaalsContact O-OG1 3.12Å; H218-L222 VanDerWaalsContact O-CB 3.3Å; H218-L222 WeakPolarHBondContact O-CB 3.43Å; H218-L222 VanDerWaalsContact O-CG 3.25Å; H218-L222 WeakPolarHBondContact O-CG 3.11Å; H218-L222 PolarHBondContact O-N 3.45Å
219L90.9Very high89.3Confident99 Ų9945.2 Ų45.252%0.51822%0.224SC..Hα-helixtrans-66.2-45.1174.5-176.361.7000110.8I215 I216 H217 L222 V223I215-L219 PolarHBondContact O-N 3.37Å; I216-L219 PolarHBondContact O-N 3.47Å; H217-L219 VanDerWaalsContact C-N 3.26Å; H217-L219 PolarHBondContact O-N 2.98Å; L219-L222 PolarHBondContact O-N 3.19Å; L219-V223 HydrophobicContact CD1-CG2 4.28Å; L219-V223 WeakPolarHBondContact O-CB 3.5Å; L219-V223 VanDerWaalsContact O-CG2 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.29Å; L219-V223 PolarHBondContact O-N 2.93Å
220A92.2Very high90.1Very high8 Ų839 Ų397%0.06620%0.2CC..Hα-helixtrans-62.2-43.6178.300000112.1I216 H217 L224 M313I216-A220 VanDerWaalsContact O-CB 3.25Å; I216-A220 WeakPolarHBondContact O-CB 3.49Å; I216-A220 PolarHBondContact O-N 3.05Å; H217-A220 CarbonylContact O-C 3.59Å; H217-A220 PolarHBondContact O-N 3.25Å; H217-A220 VanDerWaalsContact O-N 3.09Å; A220-L224 WeakPolarHBondContact O-CB 3.22Å; A220-L224 PolarHBondContact O-N 2.78Å; A220-M313 HydrophobicContact CB-CE 3.88Å; A220-M313 WeakPolarHBondContact O-CE 3.37Å
221T92.9Very high90.6Very high10 Ų1037.1 Ų37.16%0.06119%0.19CC..Hα-helixtrans-68.6-42.5178.156.50000111.9H217 H218 V223 L224 L225 L317H217-T221 WeakPolarHBondContact O-CG2 3.17Å; H217-T221 PolarHBondContact O-N 3.32Å; H217-T221 PolarHBondContact O-OG1 3.17Å; H218-T221 WeakPolarHBondContact CA-OG1 3.25Å; H218-T221 PolarHBondContact O-OG1 3.16Å; H218-T221 VanDerWaalsContact O-OG1 3.12Å; T221-V223 PolarHBondContact O-N 3.41Å; T221-L224 PolarHBondContact O-N 3.33Å; T221-L225 WeakPolarHBondContact O-CB 3.25Å; T221-L225 VanDerWaalsContact O-CG 3.25Å; T221-L225 WeakPolarHBondContact O-CG 3.32Å; T221-L225 PolarHBondContact O-N 3.43Å; T221-L317 HydrophobicContact CG2-CD1 3.69Å; T221-L317 HydrophobicContact CG2-CD2 4.49Å
222L93.4Very high91Very high25 Ų2534.8 Ų34.813%0.13118%0.179CC..Hα-helixtrans-63-40.8175.7-76.1170000112.3M192 L199 H218 L219 S226M192-L222 HydrophobicContact CG-CD2 3.86Å; L199-L222 HydrophobicContact CB-CD1 4.32Å; L199-L222 HydrophobicContact CD2-CD1 3.68Å; H218-L222 VanDerWaalsContact O-CB 3.3Å; H218-L222 WeakPolarHBondContact O-CB 3.43Å; H218-L222 VanDerWaalsContact O-CG 3.25Å; H218-L222 WeakPolarHBondContact O-CG 3.11Å; H218-L222 PolarHBondContact O-N 3.45Å; L219-L222 PolarHBondContact O-N 3.19Å; L222-S226 VanDerWaalsContact O-CB 3.24Å; L222-S226 WeakPolarHBondContact O-CB 3.49Å; L222-S226 PolarHBondContact O-N 2.95Å; L222-S226 PolarHBondContact O-OG 3.07Å
223V93.6Very high91.3Very high56 Ų5627.7 Ų27.734%0.33915%0.149SC..Hα-helixtrans-65.7-46174.8170.10000110.8L219 T221 L225 S226 F227 F309 M313L219-V223 HydrophobicContact CD1-CG2 4.28Å; L219-V223 WeakPolarHBondContact O-CB 3.5Å; L219-V223 VanDerWaalsContact O-CG2 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.29Å; L219-V223 PolarHBondContact O-N 2.93Å; T221-V223 PolarHBondContact O-N 3.41Å; V223-L225 PolarHBondContact O-N 2.8Å; V223-S226 PolarHBondContact O-N 3.03Å; V223-F227 VanDerWaalsContact O-CB 3.25Å; V223-F227 WeakPolarHBondContact O-CB 3.28Å; V223-F227 PolarHBondContact O-N 3.4Å; V223-F309 HydrophobicContact CG1-CE1 4.42Å; V223-F309 HydrophobicContact CG1-CZ 3.98Å; V223-M313 HydrophobicContact CB-CE 4.24Å; V223-M313 HydrophobicContact CG1-CE 4.08Å
224L94.3Very high91.5Very high9 Ų925.1 Ų25.15%0.04714%0.137CC..Hα-helixtrans-61.2-45.1179.2-176.577.1000111.6A220 T221 S228 F310 M313 L314 L317A220-L224 WeakPolarHBondContact O-CB 3.22Å; A220-L224 PolarHBondContact O-N 2.78Å; T221-L224 PolarHBondContact O-N 3.33Å; L224-S228 VanDerWaalsContact O-CB 3.24Å; L224-S228 WeakPolarHBondContact O-CB 3.24Å; L224-S228 PolarHBondContact O-N 3.47Å; L224-F310 HydrophobicContact CD1-CD2 3.51Å; L224-F310 HydrophobicContact CD1-CE2 3.39Å; L224-F310 HydrophobicContact CD1-CG 4.49Å; L224-F310 HydrophobicContact CD1-CZ 4.29Å; L224-F310 HydrophobicContact CG-CD2 4.47Å; L224-F310 HydrophobicContact CG-CE2 3.95Å; L224-M313 HydrophobicContact CD1-CB 3.57Å; L224-L314 HydrophobicContact CD1-CD2 4.02Å; L224-L314 HydrophobicContact CD1-CG 4.14Å; L224-L314 HydrophobicContact CD2-CD2 3.69Å; L224-L314 HydrophobicContact CG-CD2 4.45Å; L224-L317 HydrophobicContact CD2-CD2 4.2Å
225L94.4Very high92Very high10 Ų1024.9 Ų24.95%0.05213%0.134CC..Hα-helixtrans-67.6-45177.6-70.8174.3000111.2Y188 M192 Y195 T221 V223 F227 S228 W229 M241Y188-L225 HydrophobicContact CE1-CB 3.83Å; Y188-L225 HydrophobicContact CE1-CD2 3.99Å; Y188-L225 HydrophobicContact CE1-CG 4.48Å; Y188-L225 VanDerWaalsContact CE1-O 3.29Å; Y188-L225 WeakPolarHBondContact CE1-O 3.42Å; Y188-L225 HydrophobicContact CE2-CD2 4.33Å; Y188-L225 VanDerWaalsContact OH-CA 3.28Å; Y188-L225 WeakPolarHBondContact OH-CA 3.15Å; Y188-L225 WeakPolarHBondContact OH-CD2 3.34Å; Y188-L225 PolarHBondContact OH-O 2.83Å; M192-L225 VanDerWaalsContact CE-C 3.46Å; M192-L225 HydrophobicContact CE-CB 3.45Å; M192-L225 VanDerWaalsContact CE-CB 3.45Å; Y195-L225 HydrophobicContact CD2-CD1 4.26Å; T221-L225 WeakPolarHBondContact O-CB 3.25Å; T221-L225 VanDerWaalsContact O-CG 3.25Å; T221-L225 WeakPolarHBondContact O-CG 3.32Å; T221-L225 PolarHBondContact O-N 3.43Å; V223-L225 PolarHBondContact O-N 2.8Å; L225-F227 VanDerWaalsContact C-N 3.29Å; L225-F227 PolarHBondContact O-N 2.84Å; L225-S228 PolarHBondContact O-N 3.31Å; L225-W229 WeakPolarHBondContact O-CB 3.25Å; L225-W229 PolarHBondContact O-N 2.79Å; L225-M241 HydrophobicContact CD1-SD 4.33Å; L225-M241 HydrophobicContact CD2-CG 3.74Å; L225-M241 HydrophobicContact CD2-SD 3.55Å; L225-M241 VanDerWaalsContact CD2-SD 3.55Å
226S92.9Very high92.2Very high40 Ų4022.3 Ų22.328%0.2812%0.12SC..Hα-helixtrans-60.3-43.1177.3-60.10000111.3L222 V223 W229 C230L222-S226 VanDerWaalsContact O-CB 3.24Å; L222-S226 WeakPolarHBondContact O-CB 3.49Å; L222-S226 PolarHBondContact O-N 2.95Å; L222-S226 PolarHBondContact O-OG 3.07Å; V223-S226 PolarHBondContact O-N 3.03Å; S226-W229 PolarHBondContact O-N 2.94Å; S226-C230 PolarHBondContact O-N 2.7Å; S226-C230 PolarHBondContact O-SG 3.48Å
227F92.3Very high92.5Very high21 Ų2118 Ų189%0.09210%0.099CC..Hα-helixtrans-65.7-47.5176.9178.9-94.1000112.1W20 V223 L225 W229 C230 A231 F233 F309 F310W20-F227 HydrophobicContact CD2-CE2 4.4Å; W20-F227 HydrophobicContact CE3-CD2 4.3Å; W20-F227 AromaticContact CE3-CE2 3.37Å; W20-F227 HydrophobicContact CE3-CE2 3.37Å; W20-F227 HydrophobicContact CE3-CZ 4.11Å; W20-F227 HydrophobicContact CZ3-CD2 4.03Å; W20-F227 AromaticContact CZ3-CE2 3.46Å; W20-F227 HydrophobicContact CZ3-CE2 3.46Å; W20-F227 VanDerWaalsContact CZ3-CE2 3.46Å; W20-F227 HydrophobicContact CZ3-CZ 4.35Å; V223-F227 VanDerWaalsContact O-CB 3.25Å; V223-F227 WeakPolarHBondContact O-CB 3.28Å; V223-F227 PolarHBondContact O-N 3.4Å; L225-F227 VanDerWaalsContact C-N 3.29Å; L225-F227 PolarHBondContact O-N 2.84Å; F227-W229 PolarHBondContact O-N 3.12Å; F227-C230 PolarHBondContact O-N 3.36Å; F227-A231 HydrophobicContact CE1-CB 3.94Å; F227-A231 HydrophobicContact CE2-CB 4.33Å; F227-A231 HydrophobicContact CZ-CB 3.85Å; F227-A231 WeakPolarHBondContact O-CB 3.46Å; F227-A231 PolarHBondContact O-N 3.14Å; F227-F233 HydrophobicContact CE1-CD2 4.13Å; F227-F233 AromaticContact CE1-CE2 3.82Å; F227-F233 HydrophobicContact CE1-CE2 3.82Å; F227-F309 HydrophobicContact CB-CE1 4.03Å; F227-F309 HydrophobicContact CD1-CD1 4.04Å; F227-F309 HydrophobicContact CD1-CE1 4.32Å; F227-F309 AromaticContact CD2-CD1 3.72Å; F227-F309 HydrophobicContact CD2-CD1 3.72Å; F227-F309 AromaticContact CD2-CE1 3.77Å; F227-F309 HydrophobicContact CD2-CE1 3.77Å; F227-F309 HydrophobicContact CE1-CD1 4.21Å; F227-F309 AromaticContact CE2-CD1 3.92Å; F227-F309 HydrophobicContact CE2-CD1 3.92Å; F227-F309 HydrophobicContact CE2-CE1 4.42Å; F227-F309 AromaticContact CG-CD1 3.78Å; F227-F309 HydrophobicContact CG-CD1 3.78Å; F227-F309 AromaticContact CG-CE1 3.71Å; F227-F309 HydrophobicContact CG-CE1 3.71Å; F227-F309 HydrophobicContact CZ-CD1 4.14Å; F227-F310 HydrophobicContact CD1-CB 4.16Å; F227-F310 AromaticContact CD1-CD2 3.74Å; F227-F310 HydrophobicContact CD1-CD2 3.74Å; F227-F310 HydrophobicContact CD1-CG 4.35Å; F227-F310 HydrophobicContact CE1-CB 3.76Å; F227-F310 HydrophobicContact CE1-CD2 4.09Å; F227-F310 HydrophobicContact CE1-CG 4.25Å
228S94.1Very high92.6Very high1 Ų117.4 Ų17.41%0.00710%0.096CC..Hα-helixtrans-60.6-34.8178.4158.90000111.9Y188 L224 L225 N232 F233Y188-S228 WeakPolarHBondContact OH-CB 3.31Å; Y188-S228 PolarHBondContact OH-OG 2.92Å; L224-S228 VanDerWaalsContact O-CB 3.24Å; L224-S228 WeakPolarHBondContact O-CB 3.24Å; L224-S228 PolarHBondContact O-N 3.47Å; L225-S228 PolarHBondContact O-N 3.31Å; S228-N232 PolarHBondContact O-N 3Å; S228-F233 WeakPolarHBondContact O-CA 3.17Å; S228-F233 PolarHBondContact O-N 3.42Å; S228-F233 PolarHBondContact OG-O 3.29Å
229W91.8Very high92.8Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-65.3-53.3172.2-173.3-97.5000112.1A39 K40 H43 L44 M180 Y185 Y188 L225 S226 F227 A231 N232 I234A39-W229 HydrophobicContact CB-CD2 3.75Å; A39-W229 VanDerWaalsContact CB-CE2 3.5Å; A39-W229 HydrophobicContact CB-CE3 4.31Å; A39-W229 HydrophobicContact CB-CG 4.08Å; A39-W229 HydrophobicContact CB-CH2 4.41Å; A39-W229 HydrophobicContact CB-CZ2 3.89Å; A39-W229 VanDerWaalsContact CB-O 3.25Å; A39-W229 WeakPolarHBondContact CB-O 3.43Å; K40-W229 PolarHBondContact O-NE1 3.4Å; H43-W229 HydrophobicContact CB-CZ2 3.94Å; H43-W229 AromaticContact ND1-CZ2 3.59Å; L44-W229 HydrophobicContact CD2-CB 3.99Å; L44-W229 HydrophobicContact CD2-CD2 4.42Å; L44-W229 HydrophobicContact CD2-CG 3.7Å; L44-W229 HydrophobicContact CG-CG 4.36Å; M180-W229 HydrophobicContact CE-CH2 4.31Å; M180-W229 HydrophobicContact CE-CZ2 4.23Å; M180-W229 HydrophobicContact CG-CH2 4.13Å; M180-W229 HydrophobicContact SD-CH2 4.19Å; Y185-W229 AromaticContact CD2-CH2 3.62Å; Y185-W229 HydrophobicContact CD2-CH2 3.62Å; Y185-W229 AromaticContact CD2-CZ2 3.85Å; Y185-W229 HydrophobicContact CD2-CZ2 3.85Å; Y185-W229 HydrophobicContact CE2-CH2 4.32Å; Y185-W229 HydrophobicContact CE2-CZ2 4.14Å; Y185-W229 HydrophobicContact CG-CH2 4.34Å; Y188-W229 HydrophobicContact CD1-CD2 4.35Å; Y188-W229 AromaticContact CD1-CE3 3.62Å; Y188-W229 HydrophobicContact CD1-CE3 3.62Å; Y188-W229 HydrophobicContact CD1-CZ3 4.22Å; Y188-W229 AromaticContact CD2-CE3 3.96Å; Y188-W229 HydrophobicContact CD2-CE3 3.96Å; Y188-W229 HydrophobicContact CD2-CZ3 4.2Å; Y188-W229 HydrophobicContact CE1-CB 3.94Å; Y188-W229 HydrophobicContact CE1-CE3 4.03Å; Y188-W229 HydrophobicContact CE2-CE3 4.36Å; Y188-W229 AromaticContact CG-CE3 3.57Å; Y188-W229 HydrophobicContact CG-CE3 3.57Å; Y188-W229 AromaticContact CG-CZ3 3.79Å; Y188-W229 HydrophobicContact CG-CZ3 3.79Å; L225-W229 WeakPolarHBondContact O-CB 3.25Å; L225-W229 PolarHBondContact O-N 2.79Å; S226-W229 PolarHBondContact O-N 2.94Å; F227-W229 PolarHBondContact O-N 3.12Å; W229-A231 VanDerWaalsContact C-N 3.34Å; W229-A231 PolarHBondContact O-N 2.94Å; W229-N232 PolarHBondContact O-N 2.94Å; W229-N232 VanDerWaalsContact O-N 3.15Å; W229-I234 HydrophobicContact CE3-CD1 4.49Å; W229-I234 HydrophobicContact CE3-CG1 4.35Å; W229-I234 HydrophobicContact CZ3-CD1 4.28Å
230C88.8Confident93.1Very high20 Ų2013.6 Ų13.614%0.1358%0.077CC..Hα-helixtrans-62.5-39.3-178.4-68.40000112.6W15 W27 S226 F227 N232W15-C230 HydrophobicContact CH2-CB 4.27Å; W27-C230 VanDerWaalsContact CZ3-O 3.25Å; W27-C230 WeakPolarHBondContact CZ3-O 3.27Å; S226-C230 PolarHBondContact O-N 2.7Å; S226-C230 PolarHBondContact O-SG 3.48Å; F227-C230 PolarHBondContact O-N 3.36Å; C230-N232 PolarHBondContact O-N 3.1Å
231A88.1Confident93.2Very high1 Ų113.5 Ų13.51%0.0088%0.075CC..THydrogen-bonded Turntrans-82.77.2179.100000113.8Y175 F227 W229 F233Y175-A231 PolarHBondContact OH-O 2.92Å; F227-A231 HydrophobicContact CE1-CB 3.94Å; F227-A231 HydrophobicContact CE2-CB 4.33Å; F227-A231 HydrophobicContact CZ-CB 3.85Å; F227-A231 WeakPolarHBondContact O-CB 3.46Å; F227-A231 PolarHBondContact O-N 3.14Å; W229-A231 VanDerWaalsContact C-N 3.34Å; W229-A231 PolarHBondContact O-N 2.94Å; A231-F233 HydrophobicContact CB-CD1 4.42Å; A231-F233 HydrophobicContact CB-CD2 4.32Å; A231-F233 HydrophobicContact CB-CE2 4.4Å; A231-F233 HydrophobicContact CB-CG 4.33Å; A231-F233 HydrophobicContact CB-CZ 4.48Å; A231-F233 PolarHBondContact O-N 3.07Å
232N89.9Confident93.3Very high4 Ų413.7 Ų13.72%0.0218%0.076CC..THydrogen-bonded Turntrans56.131.5-176.4-155.730.5000114.5P176 Q178 S228 W229 C230 I234P176-N232 PolarHBondContact O-ND2 3.28Å; Q178-N232 PolarHBondContact O-ND2 3.35Å; S228-N232 PolarHBondContact O-N 3Å; W229-N232 PolarHBondContact O-N 2.94Å; W229-N232 VanDerWaalsContact O-N 3.15Å; C230-N232 PolarHBondContact O-N 3.1Å; N232-I234 PolarHBondContact O-N 3.37Å; N232-I234 VanDerWaalsContact OD1-CD1 3.26Å; N232-I234 WeakPolarHBondContact OD1-CD1 3.4Å
233F92Very high93.4Very high5 Ų513.6 Ų13.62%0.0228%0.076CC..  trans-82.933.5170.7-65.3-15.7000112.1W172 Y175 F227 S228 A231 R235 M236 G237 Y304 F310W172-F233 AromaticContact CH2-CD1 3.81Å; W172-F233 HydrophobicContact CH2-CD1 3.81Å; W172-F233 AromaticContact CH2-CE1 3.7Å; W172-F233 HydrophobicContact CH2-CE1 3.7Å; W172-F233 HydrophobicContact CH2-CE2 4.46Å; W172-F233 HydrophobicContact CH2-CG 4.23Å; W172-F233 HydrophobicContact CH2-CZ 4.07Å; W172-F233 AromaticContact CZ3-CD1 3.65Å; W172-F233 HydrophobicContact CZ3-CD1 3.65Å; W172-F233 AromaticContact CZ3-CE1 3.47Å; W172-F233 HydrophobicContact CZ3-CE1 3.47Å; W172-F233 VanDerWaalsContact CZ3-CE1 3.47Å; W172-F233 HydrophobicContact CZ3-CG 4.49Å; W172-F233 HydrophobicContact CZ3-CZ 4.22Å; Y175-F233 HydrophobicContact CD2-CD1 4.19Å; Y175-F233 HydrophobicContact CD2-CE1 4.35Å; Y175-F233 HydrophobicContact CE1-CE1 4.12Å; Y175-F233 AromaticContact CE2-CD1 3.42Å; Y175-F233 HydrophobicContact CE2-CD1 3.42Å; Y175-F233 VanDerWaalsContact CE2-CD1 3.42Å; Y175-F233 AromaticContact CE2-CE1 3.44Å; Y175-F233 HydrophobicContact CE2-CE1 3.44Å; Y175-F233 VanDerWaalsContact CE2-CE1 3.44Å; Y175-F233 AromaticContact CZ-CD1 3.83Å; Y175-F233 AromaticContact CZ-CE1 3.31Å; Y175-F233 WeakPolarHBondContact OH-CE1 3.34Å; F227-F233 HydrophobicContact CE1-CD2 4.13Å; F227-F233 AromaticContact CE1-CE2 3.82Å; F227-F233 HydrophobicContact CE1-CE2 3.82Å; S228-F233 WeakPolarHBondContact O-CA 3.17Å; S228-F233 PolarHBondContact O-N 3.42Å; S228-F233 PolarHBondContact OG-O 3.29Å; A231-F233 HydrophobicContact CB-CD1 4.42Å; A231-F233 HydrophobicContact CB-CD2 4.32Å; A231-F233 HydrophobicContact CB-CE2 4.4Å; A231-F233 HydrophobicContact CB-CG 4.33Å; A231-F233 HydrophobicContact CB-CZ 4.48Å; A231-F233 PolarHBondContact O-N 3.07Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 2.9Å; F233-M236 PolarHBondContact O-N 3.15Å; F233-G237 PolarHBondContact O-N 3.47Å; F233-Y304 WeakPolarHBondContact CZ-OH 3.34Å; F233-F310 HydrophobicContact CD2-CB 4.34Å; F233-F310 AromaticContact CD2-CD1 3.79Å; F233-F310 HydrophobicContact CD2-CD1 3.79Å; F233-F310 AromaticContact CD2-CD2 3.92Å; F233-F310 HydrophobicContact CD2-CD2 3.92Å; F233-F310 AromaticContact CD2-CE1 3.99Å; F233-F310 HydrophobicContact CD2-CE1 3.99Å; F233-F310 HydrophobicContact CD2-CE2 4.12Å; F233-F310 AromaticContact CD2-CG 3.74Å; F233-F310 HydrophobicContact CD2-CG 3.74Å; F233-F310 HydrophobicContact CD2-CZ 4.16Å; F233-F310 HydrophobicContact CE2-CB 3.83Å; F233-F310 AromaticContact CE2-CD1 3.82Å; F233-F310 HydrophobicContact CE2-CD1 3.82Å; F233-F310 HydrophobicContact CE2-CD2 4.27Å; F233-F310 HydrophobicContact CE2-CE1 4.44Å; F233-F310 AromaticContact CE2-CG 3.71Å; F233-F310 HydrophobicContact CE2-CG 3.71Å
234I93Very high93.5Very high3 Ų311.2 Ų11.22%0.0156%0.061CC..Hα-helixtrans-58.9-45.3-169.5-56.7175.9000110.9A39 M180 Q184 Y188 W229 N232 M236 G237 T238A39-I234 HydrophobicContact CB-CD1 3.77Å; A39-I234 HydrophobicContact CB-CG1 4.4Å; M180-I234 HydrophobicContact CB-CD1 3.75Å; M180-I234 HydrophobicContact CG-CD1 3.77Å; Q184-I234 HydrophobicContact CB-CG2 3.89Å; Q184-I234 HydrophobicContact CG-CG2 4.4Å; Y188-I234 HydrophobicContact CD2-CG2 4.5Å; W229-I234 HydrophobicContact CE3-CD1 4.49Å; W229-I234 HydrophobicContact CE3-CG1 4.35Å; W229-I234 HydrophobicContact CZ3-CD1 4.28Å; N232-I234 PolarHBondContact O-N 3.37Å; N232-I234 VanDerWaalsContact OD1-CD1 3.26Å; N232-I234 WeakPolarHBondContact OD1-CD1 3.4Å; I234-M236 PolarHBondContact O-N 3.4Å; I234-G237 PolarHBondContact O-N 2.86Å; I234-G237 VanDerWaalsContact O-N 3.16Å; I234-T238 HydrophobicContact CG2-CG2 4.27Å; I234-T238 WeakPolarHBondContact O-CG2 3.39Å; I234-T238 PolarHBondContact O-N 3.29Å; I234-T238 PolarHBondContact O-OG1 2.87Å
235R94.6Very high93.4Very high45 Ų4510.8 Ų10.817%0.176%0.059CC..Hα-helixtrans-57.5-51179.7-67.3-178.4-176.4178.73.8111.7W164 Q170 V171 T173 F233 G237 T238 L239W164-R235 HydrophobicContact CD2-CG 3.98Å; W164-R235 HydrophobicContact CE3-CG 4.4Å; W164-R235 HydrophobicContact CG-CB 4.36Å; W164-R235 HydrophobicContact CG-CG 4.32Å; W164-R235 HydrophobicContact CZ2-CG 4.31Å; Q170-R235 PolarHBondContact O-NH1 3.34Å; V171-R235 HydrophobicContact CG1-CB 3.83Å; V171-R235 WeakPolarHBondContact O-CD 3.35Å; T173-R235 PolarHBondContact O-NH1 3.37Å; T173-R235 VanDerWaalsContact O-NH1 3.15Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 2.9Å; R235-G237 PolarHBondContact O-N 3.46Å; R235-T238 PolarHBondContact O-N 3.36Å; R235-T238 PolarHBondContact O-OG1 2.81Å; R235-L239 WeakPolarHBondContact O-CG 3.25Å; R235-L239 PolarHBondContact O-N 2.98Å
236M94.8Very high93.4Very high1 Ų111.3 Ų11.31%0.0057%0.065CC..Hα-helixtrans-59.8-46174.4-80.6-50.7-48.300111.9V171 W172 F233 I234 T238 L239 V240 L289 C292 T293V171-M236 HydrophobicContact CB-SD 4.03Å; V171-M236 HydrophobicContact CG1-CB 4.24Å; V171-M236 HydrophobicContact CG1-CG 3.36Å; V171-M236 HydrophobicContact CG1-SD 3.31Å; V171-M236 WeakPolarHBondContact CG1-SD 3.26Å; V171-M236 HydrophobicContact CG2-SD 4.03Å; W172-M236 HydrophobicContact CH2-CG 4.19Å; W172-M236 HydrophobicContact CZ2-CG 3.59Å; W172-M236 HydrophobicContact CZ2-SD 4.39Å; F233-M236 PolarHBondContact O-N 3.15Å; I234-M236 PolarHBondContact O-N 3.4Å; M236-T238 VanDerWaalsContact C-N 3.32Å; M236-T238 PolarHBondContact O-N 2.91Å; M236-L239 PolarHBondContact O-N 2.78Å; M236-V240 WeakPolarHBondContact O-CG2 3.23Å; M236-V240 PolarHBondContact O-N 3.42Å; M236-L289 HydrophobicContact CE-CB 4.08Å; M236-L289 HydrophobicContact CE-CD2 3.85Å; M236-C292 HydrophobicContact CE-CB 4.49Å; M236-C292 HydrophobicContact SD-CB 4.27Å; M236-C292 PolarHBondContact SD-SG 3.32Å; M236-T293 HydrophobicContact CE-CG2 3.56Å; M236-T293 HydrophobicContact CG-CG2 3.79Å; M236-T293 HydrophobicContact SD-CG2 3.88Å
237G94.8Very high93.4Very high3 Ų39.4 Ų9.43%0.0315%0.052CC..Hα-helixtrans-56.7-45.2-179.900000112.2F233 I234 R235 L239 V240 M241F233-G237 PolarHBondContact O-N 3.47Å; I234-G237 PolarHBondContact O-N 2.86Å; I234-G237 VanDerWaalsContact O-N 3.16Å; R235-G237 PolarHBondContact O-N 3.46Å; G237-L239 PolarHBondContact O-N 2.82Å; G237-V240 PolarHBondContact O-N 3.37Å; G237-M241 WeakPolarHBondContact O-CG 3.15Å; G237-M241 PolarHBondContact O-N 3.09Å
238T95.3Very high93.5Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-63.7-35.9177.756.70000113.6Q184 Y187 Y188 I234 R235 M236 M241 L242Q184-T238 HydrophobicContact CB-CG2 4.41Å; Q184-T238 HydrophobicContact CG-CG2 4.36Å; Y187-T238 HydrophobicContact CD1-CG2 4.07Å; Y188-T238 HydrophobicContact CD2-CG2 4.42Å; I234-T238 HydrophobicContact CG2-CG2 4.27Å; I234-T238 WeakPolarHBondContact O-CG2 3.39Å; I234-T238 PolarHBondContact O-N 3.29Å; I234-T238 PolarHBondContact O-OG1 2.87Å; R235-T238 PolarHBondContact O-N 3.36Å; R235-T238 PolarHBondContact O-OG1 2.81Å; M236-T238 VanDerWaalsContact C-N 3.32Å; M236-T238 PolarHBondContact O-N 2.91Å; T238-M241 HydrophobicContact CG2-CE 3.96Å; T238-L242 WeakPolarHBondContact O-CB 3.38Å; T238-L242 PolarHBondContact O-N 3.36Å
239L95.8Very high93.6Very high15 Ų1510.4 Ų10.48%0.0796%0.058CC..Hα-helixtrans-69.8-40.5174.5-64.7175.8000111.9L159 L165 V171 R235 M236 G237 V243 L289L159-L239 HydrophobicContact CD1-CD2 4.49Å; L165-L239 HydrophobicContact CD1-CD2 3.87Å; V171-L239 HydrophobicContact CG2-CD1 3.67Å; R235-L239 WeakPolarHBondContact O-CG 3.25Å; R235-L239 PolarHBondContact O-N 2.98Å; M236-L239 PolarHBondContact O-N 2.78Å; G237-L239 PolarHBondContact O-N 2.82Å; L239-V243 WeakPolarHBondContact O-CG2 3.28Å; L239-V243 PolarHBondContact O-N 3.37Å; L239-V243 VanDerWaalsContact O-N 3.1Å; L239-L289 HydrophobicContact CB-CD2 3.86Å; L239-L289 HydrophobicContact CD1-CD2 4.25Å
240V95.6Very high93.7Very high8 Ų812.3 Ų12.35%0.0487%0.067CC..Hα-helixtrans-60.5-50.9175.5172.60000109.7M236 G237 L242 V243 H244 F285 L289 L314M236-V240 WeakPolarHBondContact O-CG2 3.23Å; M236-V240 PolarHBondContact O-N 3.42Å; G237-V240 PolarHBondContact O-N 3.37Å; V240-L242 PolarHBondContact O-N 3.39Å; V240-V243 PolarHBondContact O-N 2.84Å; V240-H244 WeakPolarHBondContact O-CB 3.38Å; V240-H244 VanDerWaalsContact O-CG 3.24Å; V240-H244 PolarHBondContact O-N 3.21Å; V240-H244 VanDerWaalsContact O-N 3.12Å; V240-H244 PolarHBondContact O-ND1 2.87Å; V240-F285 HydrophobicContact CG1-CE2 4.15Å; V240-F285 HydrophobicContact CG2-CE2 4.28Å; V240-L289 HydrophobicContact CG2-CD1 4.06Å; V240-L314 HydrophobicContact CG2-CD2 4.35Å
241M95.5Very high93.9Very high7 Ų713.4 Ų13.43%0.0347%0.072CC..Hα-helixtrans-56.2-51.5177.5-66.6-177.4-58.600111.6Y187 Y188 E191 L225 G237 T238 V243 H244 D245Y187-M241 HydrophobicContact CD1-CE 3.92Å; Y187-M241 HydrophobicContact CE1-CB 4.18Å; Y187-M241 HydrophobicContact CE1-CE 3.88Å; Y187-M241 HydrophobicContact CG-CE 4.46Å; Y187-M241 WeakPolarHBondContact OH-CB 3.25Å; Y188-M241 HydrophobicContact CD2-CE 3.52Å; Y188-M241 HydrophobicContact CD2-SD 4.41Å; Y188-M241 HydrophobicContact CE2-CE 3.88Å; Y188-M241 HydrophobicContact CG-CE 4.1Å; E191-M241 HydrophobicContact CB-SD 3.75Å; E191-M241 HydrophobicContact CG-CG 4.22Å; E191-M241 HydrophobicContact CG-SD 3.62Å; L225-M241 HydrophobicContact CD1-SD 4.33Å; L225-M241 HydrophobicContact CD2-CG 3.74Å; L225-M241 HydrophobicContact CD2-SD 3.55Å; L225-M241 VanDerWaalsContact CD2-SD 3.55Å; G237-M241 WeakPolarHBondContact O-CG 3.15Å; G237-M241 PolarHBondContact O-N 3.09Å; T238-M241 HydrophobicContact CG2-CE 3.96Å; M241-V243 PolarHBondContact O-N 3.29Å; M241-H244 WeakPolarHBondContact O-CA 3.48Å; M241-H244 WeakPolarHBondContact O-CB 3.21Å; M241-H244 PolarHBondContact O-N 3.06Å; M241-D245 VanDerWaalsContact O-CG 3.25Å; M241-D245 PolarHBondContact O-N 2.88Å
242L95.5Very high94.2Very high13 Ų1313.7 Ų13.77%0.0687%0.073CC..Hα-helixtrans-58.2-45.4-177.6-179.867.6000113.4F152 I156 L159 L165 Y187 T238 V240 H244F152-L242 HydrophobicContact CD2-CD1 3.74Å; F152-L242 HydrophobicContact CE2-CD1 3.75Å; F152-L242 HydrophobicContact CE2-CG 4.42Å; I156-L242 HydrophobicContact CD1-CD1 3.81Å; I156-L242 HydrophobicContact CD1-CD2 4Å; I156-L242 HydrophobicContact CD1-CG 4.42Å; I156-L242 HydrophobicContact CG1-CD1 3.96Å; L159-L242 HydrophobicContact CD1-CB 4.21Å; L159-L242 HydrophobicContact CD1-CD2 3.81Å; L165-L242 HydrophobicContact CD1-CD2 3.84Å; Y187-L242 WeakPolarHBondContact OH-CA 3.34Å; Y187-L242 PolarHBondContact OH-N 2.98Å; T238-L242 WeakPolarHBondContact O-CB 3.38Å; T238-L242 PolarHBondContact O-N 3.36Å; V240-L242 PolarHBondContact O-N 3.39Å; L242-H244 PolarHBondContact O-N 2.99Å
243V95.3Very high94.4Very high24 Ų2414.1 Ų14.115%0.1458%0.076CC..Hα-helixtrans-64.7-31.1178170.30000110.9L239 V240 M241 T280 I284 L289L239-V243 WeakPolarHBondContact O-CG2 3.28Å; L239-V243 PolarHBondContact O-N 3.37Å; L239-V243 VanDerWaalsContact O-N 3.1Å; V240-V243 PolarHBondContact O-N 2.84Å; M241-V243 PolarHBondContact O-N 3.29Å; V243-T280 HydrophobicContact CG1-CG2 4.27Å; V243-T280 WeakPolarHBondContact CG1-O 3.46Å; V243-T280 WeakPolarHBondContact O-CB 3.38Å; V243-I284 HydrophobicContact CG1-CG2 4.22Å; V243-I284 HydrophobicContact CG2-CG2 4.05Å; V243-L289 HydrophobicContact CB-CD1 4.23Å; V243-L289 HydrophobicContact CG1-CD1 4.5Å; V243-L289 HydrophobicContact CG2-CD1 4.01Å
244H94.3Very high94.4Very high6 Ų614.1 Ų14.13%0.0288%0.077CC..Hα-helixtrans-75.2-46.4-179.1-73.246.4000111.5V240 M241 L242 A246 S247 R281 F285 L317 H321V240-H244 WeakPolarHBondContact O-CB 3.38Å; V240-H244 VanDerWaalsContact O-CG 3.24Å; V240-H244 PolarHBondContact O-N 3.21Å; V240-H244 VanDerWaalsContact O-N 3.12Å; V240-H244 PolarHBondContact O-ND1 2.87Å; M241-H244 WeakPolarHBondContact O-CA 3.48Å; M241-H244 WeakPolarHBondContact O-CB 3.21Å; M241-H244 PolarHBondContact O-N 3.06Å; L242-H244 PolarHBondContact O-N 2.99Å; H244-A246 PolarHBondContact O-N 3.31Å; H244-A246 VanDerWaalsContact O-N 3.17Å; H244-S247 PolarHBondContact O-OG 3.36Å; H244-R281 PolarHBondContact CD2-NH1 3.39Å; H244-R281 VanDerWaalsContact CG-NH1 3.29Å; H244-R281 PolarHBondContact NE2-NH1 3.21Å; H244-R281 PolarHBondContact O-NH2 3.1Å; H244-F285 AromaticContact CE1-CD2 3.52Å; H244-F285 AromaticContact CE1-CE2 3.64Å; H244-L317 WeakPolarHBondContact NE2-CD2 3.45Å; H244-H321 AromaticContact CD2-CE1 3.95Å; H244-H321 AromaticContact CD2-NE2 3.94Å; H244-H321 AromaticContact NE2-CE1 3.19Å; H244-H321 PolarHBondContact NE2-CE1 3.1Å; H244-H321 AromaticContact NE2-NE2 3.64Å
245D93.4Very high94.3Very high0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-62.3-28.9-176.3-60.2-23.8000113.1F152 Y187 M241 S247 D248 I249F152-D245 HydrophobicContact CB-CB 4.24Å; F152-D245 HydrophobicContact CD2-CB 4.2Å; Y187-D245 PolarHBondContact OH-OD2 2.91Å; M241-D245 VanDerWaalsContact O-CG 3.25Å; M241-D245 PolarHBondContact O-N 2.88Å; D245-S247 PolarHBondContact O-N 3.5Å; D245-D248 PolarHBondContact O-N 3.39Å; D245-D248 VanDerWaalsContact O-N 3.16Å; D245-I249 PolarHBondContact O-N 2.83Å
246A93.3Very high94.1Very high21 Ų2114.4 Ų14.417%0.1748%0.081CC..Hα-helixtrans-55.4-44.7-176.300000114.1F152 H244 V276 T280F152-A246 HydrophobicContact CD2-CB 4.2Å; F152-A246 HydrophobicContact CE2-CB 3.63Å; F152-A246 HydrophobicContact CZ-CB 4.19Å; H244-A246 PolarHBondContact O-N 3.31Å; H244-A246 VanDerWaalsContact O-N 3.17Å; A246-V276 HydrophobicContact CB-CG1 4.42Å; A246-T280 HydrophobicContact CB-CG2 4.25Å
247S94.4Very high94Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-75.7-30.7-179.856.70000112.6H244 D245 I249 L250 L251 F273H244-S247 PolarHBondContact O-OG 3.36Å; D245-S247 PolarHBondContact O-N 3.5Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 2.86Å; S247-L250 PolarHBondContact O-N 3.31Å; S247-L250 VanDerWaalsContact O-N 3.15Å; S247-L251 PolarHBondContact O-N 3.47Å; S247-L251 VanDerWaalsContact O-N 3.1Å; S247-F273 WeakPolarHBondContact O-CD2 3.2Å
248D93.1Very high93.7Very high23 Ų2319.4 Ų19.412%0.12310%0.103CC..Hα-helixtrans-73.6-29.7-166.6-66.21.6000111.2Y148 D245 L250 L251 E252 R281Y148-D248 HydrophobicContact CD1-CB 4.28Å; Y148-D248 HydrophobicContact CD2-CB 3.9Å; Y148-D248 HydrophobicContact CE1-CB 4.45Å; Y148-D248 HydrophobicContact CE2-CB 4.07Å; Y148-D248 HydrophobicContact CG-CB 4.03Å; D245-D248 PolarHBondContact O-N 3.39Å; D245-D248 VanDerWaalsContact O-N 3.16Å; D248-L250 PolarHBondContact O-N 2.87Å; D248-L251 PolarHBondContact O-N 2.95Å; D248-E252 WeakPolarHBondContact O-CG 3.5Å; D248-E252 PolarHBondContact O-N 2.8Å; D248-R281 IonicContact OD1-NH2 3.61Å; D248-R281 PolarHBondContact OD1-NH2 3.34Å; D248-R281 IonicContact OD2-NH2 3.4Å
249I95.7Very high93.4Very high20 Ų2021.2 Ų21.210%0.10311%0.111CC..Hα-helixtrans-57.1-48.6170-58.8167.7000110.9F145 L149 F152 D245 S247 S253F145-I249 HydrophobicContact CD2-CG2 4.12Å; F145-I249 HydrophobicContact CE2-CG2 3.69Å; L149-I249 HydrophobicContact CD1-CD1 4.33Å; L149-I249 HydrophobicContact CD1-CG2 4.29Å; F152-I249 HydrophobicContact CB-CD1 3.51Å; F152-I249 HydrophobicContact CD1-CD1 3.81Å; F152-I249 HydrophobicContact CG-CD1 3.73Å; D245-I249 PolarHBondContact O-N 2.83Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 2.86Å; I249-S253 VanDerWaalsContact O-CB 3.3Å; I249-S253 WeakPolarHBondContact O-CB 3.39Å; I249-S253 PolarHBondContact O-N 3.09Å; I249-S253 PolarHBondContact O-OG 2.86Å
250L95.3Very high93Very high39 Ų3921.1 Ų21.120%0.20411%0.112CC..Hα-helixtrans-68-38.3-178.5-64.1176.3000111.2S247 D248 S253 A254 L269 A272 F273 V276S247-L250 PolarHBondContact O-N 3.31Å; S247-L250 VanDerWaalsContact O-N 3.15Å; D248-L250 PolarHBondContact O-N 2.87Å; L250-S253 PolarHBondContact O-N 3.33Å; L250-A254 WeakPolarHBondContact O-CB 3.32Å; L250-A254 PolarHBondContact O-N 2.87Å; L250-L269 HydrophobicContact CD2-CD2 4.25Å; L250-A272 HydrophobicContact CD1-CB 4.31Å; L250-F273 HydrophobicContact CB-CB 3.73Å; L250-V276 HydrophobicContact CD1-CB 3.92Å; L250-V276 HydrophobicContact CD1-CG1 4.36Å; L250-V276 HydrophobicContact CD1-CG2 3.63Å
251L92.8Very high92.6Very high44 Ų4425.9 Ų25.923%0.2313%0.132CC..Hα-helixtrans-61.9-50.7177.1-179.258.6000112.1S247 D248 S253 A254 K255 F273S247-L251 PolarHBondContact O-N 3.47Å; S247-L251 VanDerWaalsContact O-N 3.1Å; D248-L251 PolarHBondContact O-N 2.95Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-A254 PolarHBondContact O-N 2.83Å; L251-K255 WeakPolarHBondContact O-CG 3.31Å; L251-K255 PolarHBondContact O-N 2.83Å; L251-F273 HydrophobicContact CB-CD2 3.62Å; L251-F273 HydrophobicContact CB-CE2 3.65Å; L251-F273 HydrophobicContact CB-CG 4.15Å; L251-F273 HydrophobicContact CB-CZ 4.22Å; L251-F273 HydrophobicContact CD1-CD1 4.06Å; L251-F273 HydrophobicContact CD1-CD2 4.38Å; L251-F273 HydrophobicContact CD1-CE1 3.77Å; L251-F273 HydrophobicContact CD1-CE2 4.11Å; L251-F273 HydrophobicContact CD1-CG 4.34Å; L251-F273 HydrophobicContact CD1-CZ 3.79Å; L251-F273 HydrophobicContact CD2-CE2 4.1Å; L251-F273 HydrophobicContact CD2-CZ 4.1Å; L251-F273 HydrophobicContact CG-CD2 4.46Å; L251-F273 HydrophobicContact CG-CE2 4.15Å; L251-F273 HydrophobicContact CG-CZ 4.24Å
252E94.2Very high92.2Very high7 Ų732.6 Ų32.63%0.03316%0.157CC..Hα-helixtrans-69-34.8180-63.4-56.114500111.2A141 R144 F145 Y148 D248 K255 L256A141-E252 WeakPolarHBondContact CA-OE2 3.34Å; A141-E252 WeakPolarHBondContact CB-OE2 3.18Å; R144-E252 HydrophobicContact CB-CG 3.86Å; F145-E252 HydrophobicContact CB-CB 3.86Å; Y148-E252 HydrophobicContact CD2-CG 4.1Å; Y148-E252 HydrophobicContact CE2-CG 4.22Å; D248-E252 WeakPolarHBondContact O-CG 3.5Å; D248-E252 PolarHBondContact O-N 2.8Å; E252-K255 PolarHBondContact O-N 3.18Å; E252-K255 IonicContact OE1-NZ 3.83Å; E252-K255 PolarHBondContact OE1-NZ 2.97Å; E252-K255 WeakPolarHBondContact OE2-CD 3.4Å; E252-K255 IonicContact OE2-NZ 2.8Å; E252-L256 VanDerWaalsContact O-CG 3.3Å; E252-L256 WeakPolarHBondContact O-CG 3.43Å; E252-L256 PolarHBondContact O-N 3.23Å
253S93.3Very high91.8Very high13 Ų1337.1 Ų37.19%0.09118%0.178CC..Hα-helixtrans-59.1-49.9171.6-58.90000112.1F145 I249 L250 L251 K255 L256 F257F145-S253 VanDerWaalsContact CD2-OG 3.27Å; F145-S253 WeakPolarHBondContact CD2-OG 3.48Å; F145-S253 WeakPolarHBondContact CE2-OG 3.34Å; I249-S253 VanDerWaalsContact O-CB 3.3Å; I249-S253 WeakPolarHBondContact O-CB 3.39Å; I249-S253 PolarHBondContact O-N 3.09Å; I249-S253 PolarHBondContact O-OG 2.86Å; L250-S253 PolarHBondContact O-N 3.33Å; L251-S253 VanDerWaalsContact C-N 3.33Å; S253-K255 VanDerWaalsContact C-N 3.28Å; S253-K255 PolarHBondContact O-N 2.92Å; S253-L256 WeakPolarHBondContact O-CB 3.21Å; S253-L256 PolarHBondContact O-N 3.43Å; S253-L256 VanDerWaalsContact O-N 3.1Å; S253-F257 WeakPolarHBondContact O-CD2 3.46Å; S253-F257 PolarHBondContact O-N 3.35Å; S253-F257 VanDerWaalsContact O-N 3.07Å
254A92.7Very high91.5Very high5 Ų545.3 Ų45.34%0.04121%0.211CC..Hα-helixtrans-57-43.2178.900000111.2L250 L251 L256 F257 N258 S266 L269 F270L250-A254 WeakPolarHBondContact O-CB 3.32Å; L250-A254 PolarHBondContact O-N 2.87Å; L251-A254 PolarHBondContact O-N 2.83Å; A254-L256 PolarHBondContact O-N 3.28Å; A254-F257 PolarHBondContact O-N 3.15Å; A254-N258 WeakPolarHBondContact O-CB 3.47Å; A254-N258 PolarHBondContact O-N 3.34Å; A254-S266 PolarHBondContact O-OG 3.46Å; A254-L269 HydrophobicContact CB-CB 3.89Å; A254-F270 HydrophobicContact CB-CB 4.27Å
255K90.3Very high91.4Very high33 Ų3348.3 Ų48.314%0.14323%0.23CC..Hα-helixtrans-61.1-44175.5-68170.5-167.1165.30112.3A141 L251 E252 S253 N258 Y259A141-K255 HydrophobicContact CB-CB 4.32Å; L251-K255 WeakPolarHBondContact O-CG 3.31Å; L251-K255 PolarHBondContact O-N 2.83Å; E252-K255 PolarHBondContact O-N 3.18Å; E252-K255 IonicContact OE1-NZ 3.83Å; E252-K255 PolarHBondContact OE1-NZ 2.97Å; E252-K255 WeakPolarHBondContact OE2-CD 3.4Å; E252-K255 IonicContact OE2-NZ 2.8Å; S253-K255 VanDerWaalsContact C-N 3.28Å; S253-K255 PolarHBondContact O-N 2.92Å; K255-N258 WeakPolarHBondContact O-CB 3.33Å; K255-N258 PolarHBondContact O-N 3.48Å; K255-Y259 HydrophobicContact CB-CE2 3.94Å; K255-Y259 WeakPolarHBondContact O-CD2 3.41Å; K255-Y259 PolarHBondContact O-N 2.81Å
256L92Very high91.3Very high21 Ų2148.6 Ų48.611%0.1123%0.232CC..Hα-helixtrans-60.1-48.1179.4-71171.1000112F138 A141 F145 E252 S253 A254 N258 Y259 A260F138-L256 HydrophobicContact CD1-CD2 4.43Å; F138-L256 HydrophobicContact CD2-CD2 3.63Å; F138-L256 HydrophobicContact CE1-CD2 4.36Å; F138-L256 HydrophobicContact CE2-CB 4.27Å; F138-L256 HydrophobicContact CE2-CD2 3.55Å; F138-L256 HydrophobicContact CG-CD2 4.1Å; F138-L256 HydrophobicContact CZ-CD2 3.94Å; A141-L256 HydrophobicContact CB-CD2 3.93Å; A141-L256 HydrophobicContact CB-CG 4.24Å; F145-L256 HydrophobicContact CB-CD1 3.84Å; F145-L256 HydrophobicContact CD1-CD1 4.08Å; F145-L256 HydrophobicContact CG-CD1 3.9Å; E252-L256 VanDerWaalsContact O-CG 3.3Å; E252-L256 WeakPolarHBondContact O-CG 3.43Å; E252-L256 PolarHBondContact O-N 3.23Å; S253-L256 WeakPolarHBondContact O-CB 3.21Å; S253-L256 PolarHBondContact O-N 3.43Å; S253-L256 VanDerWaalsContact O-N 3.1Å; A254-L256 PolarHBondContact O-N 3.28Å; L256-N258 VanDerWaalsContact C-N 3.33Å; L256-N258 PolarHBondContact O-N 2.97Å; L256-Y259 PolarHBondContact O-N 3.18Å; L256-A260 PolarHBondContact O-N 3.26Å
257F92Very high91.2Very high66 Ų6650.1 Ų50.129%0.28924%0.235SC..Hα-helixtrans-68-33.6177.5-73.3-69.9000112.5S253 A254 A260 K261 W262 L269S253-F257 WeakPolarHBondContact O-CD2 3.46Å; S253-F257 PolarHBondContact O-N 3.35Å; S253-F257 VanDerWaalsContact O-N 3.07Å; A254-F257 PolarHBondContact O-N 3.15Å; F257-A260 CarbonylContact O-C 3.59Å; F257-A260 PolarHBondContact O-N 3.26Å; F257-K261 PolarHBondContact O-N 3.1Å; F257-W262 HydrophobicContact CB-CB 4.35Å; F257-W262 HydrophobicContact CD1-CB 4.17Å; F257-W262 HydrophobicContact CD1-CD2 4.13Å; F257-W262 AromaticContact CD1-CE3 3.4Å; F257-W262 HydrophobicContact CD1-CE3 3.4Å; F257-W262 HydrophobicContact CD1-CG 4.49Å; F257-W262 HydrophobicContact CD1-CZ3 4.08Å; F257-W262 HydrophobicContact CE1-CD2 4.49Å; F257-W262 AromaticContact CE1-CE3 3.42Å; F257-W262 HydrophobicContact CE1-CE3 3.42Å; F257-W262 VanDerWaalsContact CE1-CE3 3.42Å; F257-W262 AromaticContact CE1-CZ3 3.61Å; F257-W262 HydrophobicContact CE1-CZ3 3.61Å; F257-W262 PolarHBondContact O-N 3.43Å; F257-L269 HydrophobicContact CD2-CD1 3.25Å; F257-L269 HydrophobicContact CE2-CD1 3.62Å; F257-L269 HydrophobicContact CG-CD1 4.22Å
258N89.1Confident91.1Very high42 Ų4252.3 Ų52.323%0.22526%0.258CS..Hα-helixtrans-60.3-47.2172.4-164.467.3000111.6A254 K255 L256 A260 K261 S266A254-N258 WeakPolarHBondContact O-CB 3.47Å; A254-N258 PolarHBondContact O-N 3.34Å; K255-N258 WeakPolarHBondContact O-CB 3.33Å; K255-N258 PolarHBondContact O-N 3.48Å; L256-N258 VanDerWaalsContact C-N 3.33Å; L256-N258 PolarHBondContact O-N 2.97Å; N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 3.44Å; N258-K261 PolarHBondContact O-N 3.31Å; N258-S266 WeakPolarHBondContact CB-OG 3.49Å
259Y87.2Confident91.2Very high39 Ų3953 Ų5315%0.15326%0.261CS..Hα-helixtrans-67.9-27.2178.5-60.5-33.2000113.1V134 K137 F138 A141 K255 L256 K261V134-Y259 HydrophobicContact CG1-CD1 4.14Å; V134-Y259 HydrophobicContact CG1-CG 4.18Å; K137-Y259 HydrophobicContact CB-CD2 4.4Å; K137-Y259 HydrophobicContact CB-CE1 4.22Å; K137-Y259 HydrophobicContact CB-CE2 3.75Å; K137-Y259 HydrophobicContact CD-CE1 4.22Å; F138-Y259 HydrophobicContact CB-CD2 4.08Å; F138-Y259 HydrophobicContact CD2-CD2 4.33Å; A141-Y259 HydrophobicContact CB-CE2 4.17Å; K255-Y259 HydrophobicContact CB-CE2 3.94Å; K255-Y259 WeakPolarHBondContact O-CD2 3.41Å; K255-Y259 PolarHBondContact O-N 2.81Å; L256-Y259 PolarHBondContact O-N 3.18Å; Y259-K261 VanDerWaalsContact C-N 3.25Å; Y259-K261 PolarHBondContact O-N 2.79Å
260A88.1Confident91.1Very high12 Ų1253.2 Ų53.210%0.09926%0.262CS..THydrogen-bonded Turntrans-81.32.4172.500000113.9A73 L256 F257 N258 W262A73-A260 HydrophobicContact CB-CB 4.16Å; L256-A260 PolarHBondContact O-N 3.26Å; F257-A260 CarbonylContact O-C 3.59Å; F257-A260 PolarHBondContact O-N 3.26Å; N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 3.44Å; A260-W262 VanDerWaalsContact C-N 3.28Å; A260-W262 VanDerWaalsContact O-CD1 3.31Å; A260-W262 PolarHBondContact O-N 3.39Å
261K86.5Confident91Very high108 Ų10854.8 Ų54.847%0.4727%0.272SS..THydrogen-bonded Turntrans63.625.8-177.4-48.3-169.6-179.8-149.70114.8F257 N258 Y259 E263 D361F257-K261 PolarHBondContact O-N 3.1Å; N258-K261 PolarHBondContact O-N 3.31Å; Y259-K261 VanDerWaalsContact C-N 3.25Å; Y259-K261 PolarHBondContact O-N 2.79Å; K261-E263 PolarHBondContact O-N 3.41Å; K261-D361 WeakPolarHBondContact CE-O 3.48Å; K261-D361 WeakPolarHBondContact CE-OD2 3.4Å; K261-D361 PolarHBondContact NZ-O 2.65Å; K261-D361 IonicContact NZ-OD1 3.38Å; K261-D361 PolarHBondContact NZ-OD1 2.84Å; K261-D361 IonicContact NZ-OD2 2.89Å; K261-D361 PolarHBondContact NZ-OD2 3.4Å
262W88.1Confident91.2Very high149 Ų14954.4 Ų54.456%0.56428%0.275SS*.  trans-95.170.5174.6-68.18.9000109.5F257 A260 K264 T265 S266F257-W262 HydrophobicContact CB-CB 4.35Å; F257-W262 HydrophobicContact CD1-CB 4.17Å; F257-W262 HydrophobicContact CD1-CD2 4.13Å; F257-W262 AromaticContact CD1-CE3 3.4Å; F257-W262 HydrophobicContact CD1-CE3 3.4Å; F257-W262 HydrophobicContact CD1-CG 4.49Å; F257-W262 HydrophobicContact CD1-CZ3 4.08Å; F257-W262 HydrophobicContact CE1-CD2 4.49Å; F257-W262 AromaticContact CE1-CE3 3.42Å; F257-W262 HydrophobicContact CE1-CE3 3.42Å; F257-W262 VanDerWaalsContact CE1-CE3 3.42Å; F257-W262 AromaticContact CE1-CZ3 3.61Å; F257-W262 HydrophobicContact CE1-CZ3 3.61Å; F257-W262 PolarHBondContact O-N 3.43Å; A260-W262 VanDerWaalsContact C-N 3.28Å; A260-W262 VanDerWaalsContact O-CD1 3.31Å; A260-W262 PolarHBondContact O-N 3.39Å; W262-K264 PolarHBondContact O-N 3.02Å; W262-T265 PolarHBondContact O-N 2.99Å; W262-S266 WeakPolarHBondContact O-CB 3.42Å; W262-S266 PolarHBondContact O-N 2.92Å
263E87.3Confident91.3Very high108 Ų10854.4 Ų54.451%0.50528%0.276SS..Hα-helixtrans-60-45.5-168.7-65.2-179.2173.500113K261 T265 S266 H267K261-E263 PolarHBondContact O-N 3.41Å; E263-T265 VanDerWaalsContact C-N 3.34Å; E263-T265 PolarHBondContact O-N 2.96Å; E263-S266 WeakPolarHBondContact O-CB 3.41Å; E263-S266 PolarHBondContact O-N 3.47Å; E263-H267 WeakPolarHBondContact O-CB 3.36Å; E263-H267 PolarHBondContact O-CD2 2.98Å; E263-H267 VanDerWaalsContact O-CG 3.26Å; E263-H267 PolarHBondContact O-N 3.23Å
264K89.2Confident91.4Very high196 Ų19654 Ų5485%0.85227%0.273SS*.Hα-helixtrans-57.5-46.8-180-65.7-173.7-179.4-178.40112W262 G268W262-K264 PolarHBondContact O-N 3.02Å; K264-G268 PolarHBondContact O-N 3.4Å; K264-G268 VanDerWaalsContact O-N 3.09Å
265T92.3Very high91.6Very high68 Ų6858.8 Ų58.842%0.41730%0.297SS..Hα-helixtrans-69-42.3179.6-27.80000111W262 E263 G268 L269W262-T265 PolarHBondContact O-N 2.99Å; E263-T265 VanDerWaalsContact C-N 3.34Å; E263-T265 PolarHBondContact O-N 2.96Å; T265-G268 PolarHBondContact O-N 3.47Å; T265-L269 HydrophobicContact CG2-CD1 4.49Å; T265-L269 WeakPolarHBondContact O-CB 3.48Å; T265-L269 WeakPolarHBondContact O-CG 3.22Å; T265-L269 PolarHBondContact O-N 3.16Å
266S90.8Very high91.9Very high6 Ų659.3 Ų59.34%0.04230%0.303CS..Hα-helixtrans-57.2-48.8175174.30000112A254 N258 W262 E263 L269 F270A254-S266 PolarHBondContact O-OG 3.46Å; N258-S266 WeakPolarHBondContact CB-OG 3.49Å; W262-S266 WeakPolarHBondContact O-CB 3.42Å; W262-S266 PolarHBondContact O-N 2.92Å; E263-S266 WeakPolarHBondContact O-CB 3.41Å; E263-S266 PolarHBondContact O-N 3.47Å; S266-L269 PolarHBondContact O-N 3.25Å; S266-F270 WeakPolarHBondContact O-CB 3.42Å; S266-F270 PolarHBondContact O-N 3.42Å
267H90.9Very high92.2Very high54 Ų5458.8 Ų58.825%0.2530%0.3CS..Hα-helixtrans-64.5-43.1178.4-66.2-44.4000112.2E263 L269 F270 V271 F335E263-H267 WeakPolarHBondContact O-CB 3.36Å; E263-H267 PolarHBondContact O-CD2 2.98Å; E263-H267 VanDerWaalsContact O-CG 3.26Å; E263-H267 PolarHBondContact O-N 3.23Å; H267-L269 PolarHBondContact O-N 2.95Å; H267-F270 PolarHBondContact O-N 3.28Å; H267-V271 WeakPolarHBondContact O-CG2 3.25Å; H267-V271 PolarHBondContact O-N 3.26Å; H267-F335 HydrophobicContact CB-CE2 4.46Å; H267-F335 HydrophobicContact CB-CZ 4.11Å; H267-F335 AromaticContact CD2-CE2 3.8Å; H267-F335 AromaticContact CD2-CZ 3.96Å; H267-F335 AromaticContact CE1-CE2 3.5Å; H267-F335 VanDerWaalsContact CE1-CE2 3.5Å; H267-F335 WeakPolarHBondContact CE1-CE2 3.43Å; H267-F335 AromaticContact CG-CE2 3.69Å; H267-F335 AromaticContact CG-CZ 3.77Å; H267-F335 AromaticContact ND1-CE2 3.48Å; H267-F335 WeakPolarHBondContact ND1-CE2 3.49Å; H267-F335 AromaticContact NE2-CE2 3.68Å
268G93Very high92.4Very high45 Ų4558.1 Ų58.146%0.46430%0.298SS..Hα-helixtrans-59-46.2174.700000112.4K264 T265 F270 V271 A272K264-G268 PolarHBondContact O-N 3.4Å; K264-G268 VanDerWaalsContact O-N 3.09Å; T265-G268 PolarHBondContact O-N 3.47Å; G268-F270 VanDerWaalsContact C-N 3.35Å; G268-F270 PolarHBondContact O-N 3.32Å; G268-V271 PolarHBondContact O-N 2.88Å; G268-A272 PolarHBondContact O-N 3.38Å
269L94.1Very high92.8Very high38 Ų3859.1 Ų59.120%0.19931%0.305CS..Hα-helixtrans-65.9-35.9176.2-73.3169.3000112.6L250 A254 F257 T265 S266 H267 A272 F273L250-L269 HydrophobicContact CD2-CD2 4.25Å; A254-L269 HydrophobicContact CB-CB 3.89Å; F257-L269 HydrophobicContact CD2-CD1 3.25Å; F257-L269 HydrophobicContact CE2-CD1 3.62Å; F257-L269 HydrophobicContact CG-CD1 4.22Å; T265-L269 HydrophobicContact CG2-CD1 4.49Å; T265-L269 WeakPolarHBondContact O-CB 3.48Å; T265-L269 WeakPolarHBondContact O-CG 3.22Å; T265-L269 PolarHBondContact O-N 3.16Å; S266-L269 PolarHBondContact O-N 3.25Å; H267-L269 PolarHBondContact O-N 2.95Å; L269-A272 PolarHBondContact O-N 2.92Å; L269-F273 VanDerWaalsContact O-CB 3.27Å; L269-F273 WeakPolarHBondContact O-CB 3.43Å; L269-F273 PolarHBondContact O-N 2.92Å
270F93.2Very high93.2Very high25 Ų2557.9 Ų57.911%0.1130%0.302CS..Hα-helixtrans-65.9-41176.1177.1-104.5000112.1A254 S266 H267 G268 F273 A274 I328 M331 I332A254-F270 HydrophobicContact CB-CB 4.27Å; S266-F270 WeakPolarHBondContact O-CB 3.42Å; S266-F270 PolarHBondContact O-N 3.42Å; H267-F270 PolarHBondContact O-N 3.28Å; G268-F270 VanDerWaalsContact C-N 3.35Å; G268-F270 PolarHBondContact O-N 3.32Å; F270-F273 AromaticContact CD2-CD1 3.8Å; F270-F273 HydrophobicContact CD2-CD1 3.8Å; F270-F273 HydrophobicContact CD2-CE1 4.4Å; F270-F273 AromaticContact CE2-CD1 3.67Å; F270-F273 HydrophobicContact CE2-CD1 3.67Å; F270-F273 AromaticContact CE2-CE1 3.88Å; F270-F273 HydrophobicContact CE2-CE1 3.88Å; F270-F273 WeakPolarHBondContact O-CB 3.35Å; F270-F273 PolarHBondContact O-N 3.5Å; F270-A274 PolarHBondContact O-N 3.17Å; F270-I328 HydrophobicContact CZ-CG2 4.12Å; F270-M331 HydrophobicContact CD1-CE 4.26Å; F270-M331 HydrophobicContact CD2-CE 3.68Å; F270-M331 HydrophobicContact CE1-CE 3.61Å; F270-M331 HydrophobicContact CE2-CE 2.95Å; F270-M331 HydrophobicContact CG-CE 4.31Å; F270-M331 HydrophobicContact CZ-CB 4.43Å; F270-M331 HydrophobicContact CZ-CE 2.94Å; F270-M331 HydrophobicContact CZ-CG 4.47Å; F270-I332 HydrophobicContact CE1-CG1 3.74Å; F270-I332 HydrophobicContact CZ-CG1 4.25Å
271V94.4Very high93.7Very high71 Ų7157.6 Ų57.643%0.4330%0.298SS..Hα-helixtrans-65.4-44.4174173.60000110.8H267 G268 F273 A274 I275H267-V271 WeakPolarHBondContact O-CG2 3.25Å; H267-V271 PolarHBondContact O-N 3.26Å; G268-V271 PolarHBondContact O-N 2.88Å; V271-F273 VanDerWaalsContact C-N 3.34Å; V271-F273 PolarHBondContact O-N 2.91Å; V271-A274 PolarHBondContact O-N 3.35Å; V271-I275 HydrophobicContact CG1-CD1 4.09Å; V271-I275 WeakPolarHBondContact O-CG1 3.45Å; V271-I275 PolarHBondContact O-N 3.17Å
272A96.1Very high94.1Very high36 Ų3654.6 Ų54.630%0.29829%0.287SS..Hα-helixtrans-59.6-4517500000111.7L250 G268 L269 A274 I275 V276L250-A272 HydrophobicContact CD1-CB 4.31Å; G268-A272 PolarHBondContact O-N 3.38Å; L269-A272 PolarHBondContact O-N 2.92Å; A272-A274 VanDerWaalsContact C-N 3.35Å; A272-A274 PolarHBondContact O-N 3.34Å; A272-I275 PolarHBondContact O-N 2.71Å; A272-V276 WeakPolarHBondContact O-CG2 3.28Å; A272-V276 PolarHBondContact O-N 2.87Å
273F96.3Very high94.5Very high8 Ų851.6 Ų51.64%0.03528%0.281CS..Hα-helixtrans-54.1-49.9172.3156.5-107.2000111.2S247 L250 L251 L269 F270 V271 I275 V276 F277 I328S247-F273 WeakPolarHBondContact O-CD2 3.2Å; L250-F273 HydrophobicContact CB-CB 3.73Å; L251-F273 HydrophobicContact CB-CD2 3.62Å; L251-F273 HydrophobicContact CB-CE2 3.65Å; L251-F273 HydrophobicContact CB-CG 4.15Å; L251-F273 HydrophobicContact CB-CZ 4.22Å; L251-F273 HydrophobicContact CD1-CD1 4.06Å; L251-F273 HydrophobicContact CD1-CD2 4.38Å; L251-F273 HydrophobicContact CD1-CE1 3.77Å; L251-F273 HydrophobicContact CD1-CE2 4.11Å; L251-F273 HydrophobicContact CD1-CG 4.34Å; L251-F273 HydrophobicContact CD1-CZ 3.79Å; L251-F273 HydrophobicContact CD2-CE2 4.1Å; L251-F273 HydrophobicContact CD2-CZ 4.1Å; L251-F273 HydrophobicContact CG-CD2 4.46Å; L251-F273 HydrophobicContact CG-CE2 4.15Å; L251-F273 HydrophobicContact CG-CZ 4.24Å; L269-F273 VanDerWaalsContact O-CB 3.27Å; L269-F273 WeakPolarHBondContact O-CB 3.43Å; L269-F273 PolarHBondContact O-N 2.92Å; F270-F273 AromaticContact CD2-CD1 3.8Å; F270-F273 HydrophobicContact CD2-CD1 3.8Å; F270-F273 HydrophobicContact CD2-CE1 4.4Å; F270-F273 AromaticContact CE2-CD1 3.67Å; F270-F273 HydrophobicContact CE2-CD1 3.67Å; F270-F273 AromaticContact CE2-CE1 3.88Å; F270-F273 HydrophobicContact CE2-CE1 3.88Å; F270-F273 WeakPolarHBondContact O-CB 3.35Å; F270-F273 PolarHBondContact O-N 3.5Å; V271-F273 VanDerWaalsContact C-N 3.34Å; V271-F273 PolarHBondContact O-N 2.91Å; F273-I275 VanDerWaalsContact C-N 3.34Å; F273-I275 PolarHBondContact O-N 2.84Å; F273-V276 PolarHBondContact O-N 3.24Å; F273-F277 HydrophobicContact CD2-CB 4.4Å; F273-F277 HydrophobicContact CE2-CB 4.02Å; F273-F277 AromaticContact CE2-CD2 3.84Å; F273-F277 HydrophobicContact CE2-CD2 3.84Å; F273-F277 HydrophobicContact CE2-CG 4.26Å; F273-F277 HydrophobicContact CZ-CB 4.3Å; F273-F277 AromaticContact CZ-CD2 3.99Å; F273-F277 HydrophobicContact CZ-CD2 3.99Å; F273-F277 HydrophobicContact CZ-CG 4.29Å; F273-F277 WeakPolarHBondContact O-CB 3.46Å; F273-F277 PolarHBondContact O-N 2.78Å; F273-I328 HydrophobicContact CE1-CD1 3.63Å; F273-I328 HydrophobicContact CE1-CG1 3.93Å; F273-I328 HydrophobicContact CZ-CD1 3.58Å; F273-I328 HydrophobicContact CZ-CG1 4.3Å
274A95.8Very high94.9Very high4 Ų449 Ų493%0.03327%0.27CS..Hα-helixtrans-60.6-44.1-178.600000111.7F270 V271 A272 F277 M278 I328 I332F270-A274 PolarHBondContact O-N 3.17Å; V271-A274 PolarHBondContact O-N 3.35Å; A272-A274 VanDerWaalsContact C-N 3.35Å; A272-A274 PolarHBondContact O-N 3.34Å; A274-F277 PolarHBondContact O-N 3.34Å; A274-M278 WeakPolarHBondContact O-CG 3.24Å; A274-M278 PolarHBondContact O-N 3.29Å; A274-I328 HydrophobicContact CB-CG2 3.66Å; A274-I332 HydrophobicContact CB-CD1 3.66Å
275I96.6Very high95.3Very high105 Ų10539.7 Ų39.754%0.53823%0.23SC..Hα-helixtrans-61.6-51.6177.4-65.5166.4000110.5V271 A272 F273 F277 M278 V279V271-I275 HydrophobicContact CG1-CD1 4.09Å; V271-I275 WeakPolarHBondContact O-CG1 3.45Å; V271-I275 PolarHBondContact O-N 3.17Å; A272-I275 PolarHBondContact O-N 2.71Å; F273-I275 VanDerWaalsContact C-N 3.34Å; F273-I275 PolarHBondContact O-N 2.84Å; I275-F277 VanDerWaalsContact C-N 3.31Å; I275-F277 PolarHBondContact O-N 3.5Å; I275-M278 PolarHBondContact O-N 2.99Å; I275-V279 WeakPolarHBondContact O-CG2 3.43Å; I275-V279 PolarHBondContact O-N 3.19Å
276V97.4Very high95.5Very high45 Ų4537.6 Ų37.627%0.27322%0.217SC..Hα-helixtrans-61.8-40.6-179.8173.10000110.9A246 L250 A272 F273 V279 T280A246-V276 HydrophobicContact CB-CG1 4.42Å; L250-V276 HydrophobicContact CD1-CB 3.92Å; L250-V276 HydrophobicContact CD1-CG1 4.36Å; L250-V276 HydrophobicContact CD1-CG2 3.63Å; A272-V276 WeakPolarHBondContact O-CG2 3.28Å; A272-V276 PolarHBondContact O-N 2.87Å; F273-V276 PolarHBondContact O-N 3.24Å; V276-V279 PolarHBondContact O-N 3.2Å; V276-T280 HydrophobicContact CG1-CG2 3.99Å; V276-T280 WeakPolarHBondContact O-CB 3.47Å; V276-T280 VanDerWaalsContact O-CG2 3.32Å; V276-T280 WeakPolarHBondContact O-CG2 3.41Å; V276-T280 PolarHBondContact O-N 2.99Å; V276-T280 PolarHBondContact O-OG1 2.89Å
277F97.2Very high95.7Very high10 Ų1044.2 Ų44.24%0.04425%0.245CC..Hα-helixtrans-60.7-46176.1-175.5-84.4000111.7F273 A274 I275 T280 R281 H321 W324 A325 I328F273-F277 HydrophobicContact CD2-CB 4.4Å; F273-F277 HydrophobicContact CE2-CB 4.02Å; F273-F277 AromaticContact CE2-CD2 3.84Å; F273-F277 HydrophobicContact CE2-CD2 3.84Å; F273-F277 HydrophobicContact CE2-CG 4.26Å; F273-F277 HydrophobicContact CZ-CB 4.3Å; F273-F277 AromaticContact CZ-CD2 3.99Å; F273-F277 HydrophobicContact CZ-CD2 3.99Å; F273-F277 HydrophobicContact CZ-CG 4.29Å; F273-F277 WeakPolarHBondContact O-CB 3.46Å; F273-F277 PolarHBondContact O-N 2.78Å; A274-F277 PolarHBondContact O-N 3.34Å; I275-F277 VanDerWaalsContact C-N 3.31Å; I275-F277 PolarHBondContact O-N 3.5Å; F277-T280 PolarHBondContact O-OG1 3.33Å; F277-R281 HydrophobicContact CD1-CB 4.47Å; F277-R281 HydrophobicContact CD1-CG 4.48Å; F277-R281 HydrophobicContact CD2-CG 3.94Å; F277-R281 HydrophobicContact CE1-CB 4.27Å; F277-R281 HydrophobicContact CE1-CG 4.41Å; F277-R281 HydrophobicContact CE2-CG 3.88Å; F277-R281 HydrophobicContact CG-CG 4.26Å; F277-R281 HydrophobicContact CZ-CB 4.32Å; F277-R281 HydrophobicContact CZ-CG 4.11Å; F277-R281 VanDerWaalsContact O-CB 3.25Å; F277-R281 WeakPolarHBondContact O-CB 3.25Å; F277-R281 WeakPolarHBondContact O-CG 3.36Å; F277-R281 PolarHBondContact O-N 2.9Å; F277-H321 HydrophobicContact CZ-CB 4.47Å; F277-W324 HydrophobicContact CZ-CB 3.95Å; F277-A325 HydrophobicContact CE1-CB 4.08Å; F277-I328 HydrophobicContact CB-CD1 4.45Å; F277-I328 HydrophobicContact CD1-CD1 3.62Å; F277-I328 HydrophobicContact CD2-CD1 4.17Å; F277-I328 HydrophobicContact CE1-CD1 3.81Å; F277-I328 HydrophobicContact CE2-CD1 4.33Å; F277-I328 HydrophobicContact CG-CD1 3.81Å; F277-I328 HydrophobicContact CZ-CD1 4.16Å
278M96.9Very high95.8Very high52 Ų5249.4 Ų49.426%0.25626%0.263SS..Iπ-helixtrans-63.3-44.8178.4-65.1-61.9152.200111.3A274 I275 L282 I283 A325 I328A274-M278 WeakPolarHBondContact O-CG 3.24Å; A274-M278 PolarHBondContact O-N 3.29Å; I275-M278 PolarHBondContact O-N 2.99Å; M278-L282 WeakPolarHBondContact O-CA 3.39Å; M278-L282 WeakPolarHBondContact O-CB 3.4Å; M278-L282 PolarHBondContact O-N 3.06Å; M278-L282 HydrophobicContact SD-CD1 3.5Å; M278-L282 VanDerWaalsContact SD-CD1 3.5Å; M278-L282 HydrophobicContact SD-CG 4.31Å; M278-I283 PolarHBondContact O-N 3.21Å; M278-A325 HydrophobicContact CE-CB 3.67Å; M278-A325 HydrophobicContact SD-CB 4.01Å; M278-I328 HydrophobicContact CE-CB 4.28Å; M278-I328 HydrophobicContact CE-CG2 4.12Å
279V97.2Very high95.9Very high63 Ų6347.9 Ų47.938%0.38224%0.244SC..Iπ-helixtrans-65.3-50.6179.2174.30000111.2I275 V276 I283 I284I275-V279 WeakPolarHBondContact O-CG2 3.43Å; I275-V279 PolarHBondContact O-N 3.19Å; V276-V279 PolarHBondContact O-N 3.2Å; V279-I283 HydrophobicContact CG2-CD1 4.48Å; V279-I283 VanDerWaalsContact O-CB 3.32Å; V279-I283 WeakPolarHBondContact O-CB 3.44Å; V279-I283 PolarHBondContact O-N 2.81Å; V279-I284 HydrophobicContact CG1-CD1 3.93Å; V279-I284 HydrophobicContact CG1-CG1 4.31Å; V279-I284 WeakPolarHBondContact O-CG1 3.26Å; V279-I284 PolarHBondContact O-N 3.28Å
280T96.8Very high95.9Very high13 Ų1346.9 Ų46.98%0.0824%0.239CC..Iπ-helixtrans-70.1-46.3-175.853.60000112.4V243 A246 V276 F277 F285V243-T280 HydrophobicContact CG1-CG2 4.27Å; V243-T280 WeakPolarHBondContact CG1-O 3.46Å; V243-T280 WeakPolarHBondContact O-CB 3.38Å; A246-T280 HydrophobicContact CB-CG2 4.25Å; V276-T280 HydrophobicContact CG1-CG2 3.99Å; V276-T280 WeakPolarHBondContact O-CB 3.47Å; V276-T280 VanDerWaalsContact O-CG2 3.32Å; V276-T280 WeakPolarHBondContact O-CG2 3.41Å; V276-T280 PolarHBondContact O-N 2.99Å; V276-T280 PolarHBondContact O-OG1 2.89Å; F277-T280 PolarHBondContact O-OG1 3.33Å; T280-F285 WeakPolarHBondContact O-CB 3.3Å; T280-F285 PolarHBondContact O-N 3.4Å
281R96.7Very high96Very high5 Ų549.8 Ų49.82%0.01925%0.253CS..Iπ-helixtrans-93.8-27.9-170.3-54.1-59.5-176.3112.23.8114.9H244 D248 F277 P286 H321H244-R281 PolarHBondContact CD2-NH1 3.39Å; H244-R281 VanDerWaalsContact CG-NH1 3.29Å; H244-R281 PolarHBondContact NE2-NH1 3.21Å; H244-R281 PolarHBondContact O-NH2 3.1Å; D248-R281 IonicContact OD1-NH2 3.61Å; D248-R281 PolarHBondContact OD1-NH2 3.34Å; D248-R281 IonicContact OD2-NH2 3.4Å; F277-R281 HydrophobicContact CD1-CB 4.47Å; F277-R281 HydrophobicContact CD1-CG 4.48Å; F277-R281 HydrophobicContact CD2-CG 3.94Å; F277-R281 HydrophobicContact CE1-CB 4.27Å; F277-R281 HydrophobicContact CE1-CG 4.41Å; F277-R281 HydrophobicContact CE2-CG 3.88Å; F277-R281 HydrophobicContact CG-CG 4.26Å; F277-R281 HydrophobicContact CZ-CB 4.32Å; F277-R281 HydrophobicContact CZ-CG 4.11Å; F277-R281 VanDerWaalsContact O-CB 3.25Å; F277-R281 WeakPolarHBondContact O-CB 3.25Å; F277-R281 WeakPolarHBondContact O-CG 3.36Å; F277-R281 PolarHBondContact O-N 2.9Å; R281-P286 WeakPolarHBondContact O-CD 3.47Å; R281-H321 HydrophobicContact CB-CB 4.08Å; R281-H321 PolarHBondContact NH1-NE2 2.89Å
282L96.4Very high95.9Very high46 Ų4646.4 Ų46.424%0.24123%0.232CC..Iπ-helixtrans-109.2-14.4-179.6-59.6-171.9000114.2M278 P286 L318 H321 I322 A325M278-L282 WeakPolarHBondContact O-CA 3.39Å; M278-L282 WeakPolarHBondContact O-CB 3.4Å; M278-L282 PolarHBondContact O-N 3.06Å; M278-L282 HydrophobicContact SD-CD1 3.5Å; M278-L282 VanDerWaalsContact SD-CD1 3.5Å; M278-L282 HydrophobicContact SD-CG 4.31Å; L282-P286 VanDerWaalsContact C-CG 3.49Å; L282-P286 WeakPolarHBondContact O-CG 3.41Å; L282-L318 HydrophobicContact CD2-CD1 4.46Å; L282-H321 HydrophobicContact CD2-CB 4.41Å; L282-I322 HydrophobicContact CD2-CG1 3.84Å; L282-A325 HydrophobicContact CD1-CB 3.73Å; L282-A325 HydrophobicContact CG-CB 4.42Å
283I96.1Very high95.8Very high86 Ų8644.8 Ų44.844%0.44122%0.218SC..Iπ-helixtrans-109.2-67.1176-54.9177.6000110.5M278 V279 F287M278-I283 PolarHBondContact O-N 3.21Å; V279-I283 HydrophobicContact CG2-CD1 4.48Å; V279-I283 VanDerWaalsContact O-CB 3.32Å; V279-I283 WeakPolarHBondContact O-CB 3.44Å; V279-I283 PolarHBondContact O-N 2.81Å; I283-F287 HydrophobicContact CG2-CD2 4.47Å; I283-F287 WeakPolarHBondContact O-CB 3.46Å; I283-F287 VanDerWaalsContact O-CD2 3.29Å; I283-F287 WeakPolarHBondContact O-CD2 3.48Å; I283-F287 PolarHBondContact O-N 3.14Å; I283-F287 VanDerWaalsContact O-N 3.09Å
284I96.4Very high95.6Very high54 Ų5451 Ų5128%0.27724%0.242SC..Iπ-helixtrans-64-49-174.9-63.4172.7000110.7V243 V279 W288 L289V243-I284 HydrophobicContact CG1-CG2 4.22Å; V243-I284 HydrophobicContact CG2-CG2 4.05Å; V279-I284 HydrophobicContact CG1-CD1 3.93Å; V279-I284 HydrophobicContact CG1-CG1 4.31Å; V279-I284 WeakPolarHBondContact O-CG1 3.26Å; V279-I284 PolarHBondContact O-N 3.28Å; I284-W288 HydrophobicContact CG2-CB 4.41Å; I284-W288 WeakPolarHBondContact O-CA 3.35Å; I284-W288 VanDerWaalsContact O-CB 3.22Å; I284-W288 WeakPolarHBondContact O-CB 3.41Å; I284-W288 PolarHBondContact O-N 3.45Å; I284-L289 PolarHBondContact O-N 2.86Å; I284-L289 VanDerWaalsContact O-N 3.15Å
285F96.6Very high95.3Very high0 Ų053 Ų530%025%0.253CS..Iπ-helixtrans-58.5-55-177.2-177.6-116.6000114V240 H244 T280 L289 I290 L314 L317 L318 H321V240-F285 HydrophobicContact CG1-CE2 4.15Å; V240-F285 HydrophobicContact CG2-CE2 4.28Å; H244-F285 AromaticContact CE1-CD2 3.52Å; H244-F285 AromaticContact CE1-CE2 3.64Å; T280-F285 WeakPolarHBondContact O-CB 3.3Å; T280-F285 PolarHBondContact O-N 3.4Å; F285-L289 HydrophobicContact CD2-CB 4.2Å; F285-L289 HydrophobicContact CD2-CD1 3.95Å; F285-L289 WeakPolarHBondContact O-CB 3.32Å; F285-L289 PolarHBondContact O-N 3.04Å; F285-I290 HydrophobicContact CD1-CD1 4.26Å; F285-I290 HydrophobicContact CE1-CD1 3.9Å; F285-I290 HydrophobicContact CE1-CG1 4.43Å; F285-I290 HydrophobicContact CZ-CD1 4.24Å; F285-I290 HydrophobicContact CZ-CG1 4.37Å; F285-I290 PolarHBondContact O-N 3.48Å; F285-L314 HydrophobicContact CE2-CD2 3.9Å; F285-L314 HydrophobicContact CZ-CB 4.3Å; F285-L314 HydrophobicContact CZ-CD2 3.85Å; F285-L317 HydrophobicContact CE1-CB 4.42Å; F285-L317 HydrophobicContact CZ-CB 4.28Å; F285-L317 HydrophobicContact CZ-CD2 3.91Å; F285-L317 HydrophobicContact CZ-CG 4.43Å; F285-L318 HydrophobicContact CD1-CB 4.4Å; F285-L318 HydrophobicContact CD1-CD1 4.09Å; F285-L318 HydrophobicContact CE1-CB 4Å; F285-H321 AromaticContact CD1-ND1 3.79Å; F285-H321 AromaticContact CE1-CE1 3.99Å; F285-H321 AromaticContact CE1-ND1 3.85Å
286P96.3Very high95Very high23 Ų2349.9 Ų49.915%0.14924%0.235CC..Iπ-helixtrans-74.2-44.5-179.726.8-33.8000113.9R281 L282 I290 H291 L318R281-P286 WeakPolarHBondContact O-CD 3.47Å; L282-P286 VanDerWaalsContact C-CG 3.49Å; L282-P286 WeakPolarHBondContact O-CG 3.41Å; P286-I290 WeakPolarHBondContact O-CB 3.36Å; P286-H291 PolarHBondContact O-N 2.93Å; P286-L318 HydrophobicContact CB-CD1 4.02Å; P286-L318 HydrophobicContact CB-CD2 3.96Å; P286-L318 HydrophobicContact CG-CD1 4.07Å
287F94.6Very high94.5Very high145 Ų14548.1 Ų48.164%0.63623%0.225SC*.Iπ-helixtrans-84.3-21.8-171.3-62.6-74000113.6I283 H291I283-F287 HydrophobicContact CG2-CD2 4.47Å; I283-F287 WeakPolarHBondContact O-CB 3.46Å; I283-F287 VanDerWaalsContact O-CD2 3.29Å; I283-F287 WeakPolarHBondContact O-CD2 3.48Å; I283-F287 PolarHBondContact O-N 3.14Å; I283-F287 VanDerWaalsContact O-N 3.09Å; F287-H291 WeakPolarHBondContact O-CB 3.34Å
288W94Very high94.1Very high163 Ų16350.9 Ų50.962%0.61724%0.242SC*.Iπ-helixtrans-109.1-55.7178.1-67.446.5000111.5I284 C292I284-W288 HydrophobicContact CG2-CB 4.41Å; I284-W288 WeakPolarHBondContact O-CA 3.35Å; I284-W288 VanDerWaalsContact O-CB 3.22Å; I284-W288 WeakPolarHBondContact O-CB 3.41Å; I284-W288 PolarHBondContact O-N 3.45Å; W288-C292 WeakPolarHBondContact O-CB 3.39Å; W288-C292 PolarHBondContact O-N 3.05Å
289L95.1Very high93.6Very high14 Ų1455 Ų557%0.07326%0.261CS..Iπ-helixtrans-75.3-49.4-173-61.4178.1000112.7M236 L239 V240 V243 I284 F285 C292 T293M236-L289 HydrophobicContact CE-CB 4.08Å; M236-L289 HydrophobicContact CE-CD2 3.85Å; L239-L289 HydrophobicContact CB-CD2 3.86Å; L239-L289 HydrophobicContact CD1-CD2 4.25Å; V240-L289 HydrophobicContact CG2-CD1 4.06Å; V243-L289 HydrophobicContact CB-CD1 4.23Å; V243-L289 HydrophobicContact CG1-CD1 4.5Å; V243-L289 HydrophobicContact CG2-CD1 4.01Å; I284-L289 PolarHBondContact O-N 2.86Å; I284-L289 VanDerWaalsContact O-N 3.15Å; F285-L289 HydrophobicContact CD2-CB 4.2Å; F285-L289 HydrophobicContact CD2-CD1 3.95Å; F285-L289 WeakPolarHBondContact O-CB 3.32Å; F285-L289 PolarHBondContact O-N 3.04Å; L289-C292 WeakPolarHBondContact O-CB 3.38Å; L289-C292 PolarHBondContact O-N 3.29Å; L289-T293 PolarHBondContact O-N 3.29Å; L289-T293 VanDerWaalsContact O-N 3.09Å; L289-T293 PolarHBondContact O-OG1 2.92Å
290I94.9Very high92.9Very high17 Ų1757.1 Ų57.19%0.08727%0.266CS..Iπ-helixtrans-66.3-40.3176-63.4-179.5000110.5F285 P286 C292 T293 W294 L314 L318F285-I290 HydrophobicContact CD1-CD1 4.26Å; F285-I290 HydrophobicContact CE1-CD1 3.9Å; F285-I290 HydrophobicContact CE1-CG1 4.43Å; F285-I290 HydrophobicContact CZ-CD1 4.24Å; F285-I290 HydrophobicContact CZ-CG1 4.37Å; F285-I290 PolarHBondContact O-N 3.48Å; P286-I290 WeakPolarHBondContact O-CB 3.36Å; I290-C292 VanDerWaalsContact C-N 3.31Å; I290-C292 PolarHBondContact O-N 3.39Å; I290-T293 WeakPolarHBondContact CA-OG1 3.22Å; I290-T293 PolarHBondContact O-N 3.21Å; I290-T293 PolarHBondContact O-OG1 3.12Å; I290-W294 VanDerWaalsContact O-CB 3.28Å; I290-W294 WeakPolarHBondContact O-CB 3.07Å; I290-W294 PolarHBondContact O-N 3.24Å; I290-L314 HydrophobicContact CD1-CB 4.23Å; I290-L314 HydrophobicContact CG1-CB 4.09Å; I290-L314 HydrophobicContact CG1-CD1 4.43Å; I290-L318 HydrophobicContact CD1-CB 4.23Å; I290-L318 HydrophobicContact CD1-CD2 4.11Å
291H93.6Very high92.2Very high86 Ų8659.4 Ų59.440%0.39827%0.274SS..Hα-helixtrans-58.7-43.8173.2179.5-84.7000111.9P286 F287 T293 W294 V295P286-H291 PolarHBondContact O-N 2.93Å; F287-H291 WeakPolarHBondContact O-CB 3.34Å; H291-T293 VanDerWaalsContact C-N 3.3Å; H291-T293 PolarHBondContact O-N 3.48Å; H291-W294 PolarHBondContact O-N 3.41Å; H291-V295 WeakPolarHBondContact O-CB 3.31Å; H291-V295 PolarHBondContact O-N 3.5Å
292C93Very high91.7Very high0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-58.3-41176.4175.50000111.8S168 W172 M236 W288 L289 I290 Y296 P297S168-C292 PolarHBondContact O-SG 3.45Å; W172-C292 PolarHBondContact NE1-O 2.87Å; W172-C292 VanDerWaalsContact NE1-O 3.07Å; W172-C292 PolarHBondContact NE1-SG 3.3Å; W172-C292 VanDerWaalsContact NE1-SG 3.35Å; M236-C292 HydrophobicContact CE-CB 4.49Å; M236-C292 HydrophobicContact SD-CB 4.27Å; M236-C292 PolarHBondContact SD-SG 3.32Å; W288-C292 WeakPolarHBondContact O-CB 3.39Å; W288-C292 PolarHBondContact O-N 3.05Å; L289-C292 WeakPolarHBondContact O-CB 3.38Å; L289-C292 PolarHBondContact O-N 3.29Å; I290-C292 VanDerWaalsContact C-N 3.31Å; I290-C292 PolarHBondContact O-N 3.39Å; C292-Y296 HydrophobicContact CB-CD2 4.1Å; C292-Y296 HydrophobicContact CB-CE2 4.28Å; C292-Y296 PolarHBondContact O-N 3.29Å; C292-P297 VanDerWaalsContact O-CD 3.23Å; C292-P297 WeakPolarHBondContact O-CD 3.43Å
293T92.9Very high91.2Very high1 Ų163.3 Ų63.31%0.00631%0.306CS..Hα-helixtrans-80.7-18.8179.957.80000114W172 M236 L289 I290 H291 P297 Y307 F310 N311 L314W172-T293 HydrophobicContact CZ2-CG2 3.89Å; M236-T293 HydrophobicContact CE-CG2 3.56Å; M236-T293 HydrophobicContact CG-CG2 3.79Å; M236-T293 HydrophobicContact SD-CG2 3.88Å; L289-T293 PolarHBondContact O-N 3.29Å; L289-T293 VanDerWaalsContact O-N 3.09Å; L289-T293 PolarHBondContact O-OG1 2.92Å; I290-T293 WeakPolarHBondContact CA-OG1 3.22Å; I290-T293 PolarHBondContact O-N 3.21Å; I290-T293 PolarHBondContact O-OG1 3.12Å; H291-T293 VanDerWaalsContact C-N 3.3Å; H291-T293 PolarHBondContact O-N 3.48Å; T293-P297 WeakPolarHBondContact O-CG 3.34Å; T293-Y307 WeakPolarHBondContact O-CE2 3.33Å; T293-F310 HydrophobicContact CG2-CD1 4.21Å; T293-F310 HydrophobicContact CG2-CE1 3.68Å; T293-N311 WeakPolarHBondContact CB-OD1 3.41Å; T293-N311 PolarHBondContact O-ND2 3.3Å; T293-N311 PolarHBondContact OG1-OD1 3.01Å; T293-L314 HydrophobicContact CG2-CD1 4.01Å
294W92.1Very high90.7Very high139 Ų13960.3 Ų60.353%0.52729%0.289SS..Hα-helixtrans-90.1-39179.6-163.7-75.4000112.5I290 H291 Y307 N311I290-W294 VanDerWaalsContact O-CB 3.28Å; I290-W294 WeakPolarHBondContact O-CB 3.07Å; I290-W294 PolarHBondContact O-N 3.24Å; H291-W294 PolarHBondContact O-N 3.41Å; W294-Y307 WeakPolarHBondContact CA-OH 3.41Å; W294-Y307 PolarHBondContact O-OH 3.15Å; W294-N311 HydrophobicContact CE3-CB 3.98Å; W294-N311 HydrophobicContact CZ3-CB 4.07Å
295V91.4Very high90.3Very high46 Ų4662.4 Ų62.428%0.27930%0.296SS..Hα-helixtrans-93.8-53.7-171.3177.30000112H291 H299H291-V295 WeakPolarHBondContact O-CB 3.31Å; H291-V295 PolarHBondContact O-N 3.5Å; V295-H299 PolarHBondContact O-CD2 3Å
296Y88.6Confident89.9Confident39 Ų3962.4 Ų62.415%0.15330%0.296CS..Hα-helixtrans-71.1-39.8-167.5-58.8-47.7000115.3S168 R169 C292 V298 H299 H300S168-Y296 WeakPolarHBondContact OG-CE2 3.5Å; R169-Y296 HydrophobicContact CG-CD1 4.44Å; R169-Y296 HydrophobicContact CG-CE1 3.88Å; R169-Y296 HydrophobicContact CG-CE2 4.02Å; C292-Y296 HydrophobicContact CB-CD2 4.1Å; C292-Y296 HydrophobicContact CB-CE2 4.28Å; C292-Y296 PolarHBondContact O-N 3.29Å; Y296-V298 PolarHBondContact O-N 3.47Å; Y296-H299 WeakPolarHBondContact O-CB 3.12Å; Y296-H299 PolarHBondContact O-N 2.89Å; Y296-H299 VanDerWaalsContact O-N 3.15Å; Y296-H300 PolarHBondContact O-CD2 3.27Å; Y296-H300 VanDerWaalsContact O-CD2 3.29Å
297P87.8Confident89.6Confident9 Ų961.9 Ų61.96%0.05829%0.291CS..Hα-helixtrans-56.6-37.6178.4-29.336.5000113.7W172 C292 T293 H299 H300 Y301 Y307W172-P297 HydrophobicContact CD2-CB 4.44Å; W172-P297 HydrophobicContact CD2-CG 3.65Å; W172-P297 HydrophobicContact CE3-CB 4.45Å; W172-P297 HydrophobicContact CE3-CG 3.98Å; W172-P297 HydrophobicContact CG-CG 4.25Å; W172-P297 HydrophobicContact CH2-CG 3.79Å; W172-P297 HydrophobicContact CZ2-CG 3.43Å; W172-P297 VanDerWaalsContact CZ2-CG 3.43Å; W172-P297 HydrophobicContact CZ3-CG 4.05Å; C292-P297 VanDerWaalsContact O-CD 3.23Å; C292-P297 WeakPolarHBondContact O-CD 3.43Å; T293-P297 WeakPolarHBondContact O-CG 3.34Å; P297-H299 PolarHBondContact O-N 3.23Å; P297-H300 PolarHBondContact O-N 3.11Å; P297-Y301 PolarHBondContact O-N 3.13Å; P297-Y307 HydrophobicContact CB-CD2 4.13Å; P297-Y307 HydrophobicContact CB-CE2 4.29Å; P297-Y307 HydrophobicContact CG-CD2 4.48Å; P297-Y307 HydrophobicContact CG-CE2 4.46Å
298V87.9Confident89.5Confident67 Ų6761 Ų6141%0.40629%0.285SS..Hα-helixtrans-71-20.1-174.8-172.90000111.8Y296 H300 Y301 Y307Y296-V298 PolarHBondContact O-N 3.47Å; V298-H300 VanDerWaalsContact C-N 3.3Å; V298-Y301 WeakPolarHBondContact CA-O 3.39Å; V298-Y307 HydrophobicContact CG2-CE2 3.76Å
299H86.5Confident89.4Confident139 Ų13956 Ų5664%0.64427%0.268SS*.Hα-helixtrans-72.8-23.2170.8-63.5-47.8000113.1V295 Y296 P297V295-H299 PolarHBondContact O-CD2 3Å; Y296-H299 WeakPolarHBondContact O-CB 3.12Å; Y296-H299 PolarHBondContact O-N 2.89Å; Y296-H299 VanDerWaalsContact O-N 3.15Å; P297-H299 PolarHBondContact O-N 3.23Å
300H82.6Confident89.3Confident107 Ų10755.5 Ų55.550%0.49527%0.265SS..Hα-helixtrans-99.8-38.4-179-64-77.3000112.5Y296 P297 V298Y296-H300 PolarHBondContact O-CD2 3.27Å; Y296-H300 VanDerWaalsContact O-CD2 3.29Å; P297-H300 PolarHBondContact O-N 3.11Å; V298-H300 VanDerWaalsContact C-N 3.3Å
301Y82.3Confident89.3Confident62 Ų6254.8 Ų54.824%0.24326%0.261CS..SBendtrans-140.3148-176.6-60-79.6000111.4P22 Y175 P176 P297 V298P22-Y301 HydrophobicContact CB-CD1 3.52Å; P22-Y301 HydrophobicContact CB-CE1 4.18Å; P22-Y301 HydrophobicContact CB-CG 3.83Å; P22-Y301 HydrophobicContact CG-CD1 3.87Å; P22-Y301 HydrophobicContact CG-CD2 4.21Å; P22-Y301 HydrophobicContact CG-CE1 4.37Å; P22-Y301 HydrophobicContact CG-CG 3.78Å; Y175-Y301 HydrophobicContact CD1-CD2 4.18Å; Y175-Y301 AromaticContact CD1-CE2 3.96Å; Y175-Y301 HydrophobicContact CD1-CE2 3.96Å; Y175-Y301 VanDerWaalsContact O-CE2 3.22Å; Y175-Y301 WeakPolarHBondContact O-CE2 3.4Å; Y175-Y301 PolarHBondContact O-OH 3.41Å; P176-Y301 WeakPolarHBondContact CD-OH 3.08Å; P297-Y301 PolarHBondContact O-N 3.13Å; V298-Y301 WeakPolarHBondContact CA-O 3.39Å
302P85.6Confident89.4Confident91 Ų9155 Ų5559%0.59127%0.268SS*.  trans-61149.3171.327.9-34.7000110.6Y304P302-Y304 WeakPolarHBondContact O-CD1 3.44Å; P302-Y304 PolarHBondContact O-N 3.49Å
303A86.4Confident89.5Confident41 Ų4156.4 Ų56.434%0.33928%0.275SS..  trans-62.1131.6179.600000111.4Y307 Y308A303-Y307 HydrophobicContact CB-CD1 3.9Å; A303-Y307 HydrophobicContact CB-CE1 4.16Å; A303-Y308 HydrophobicContact CB-CE2 3.76Å; A303-Y308 WeakPolarHBondContact CB-OH 3.48Å
304Y86.8Confident89.6Confident23 Ų2356.4 Ų56.49%0.0928%0.275CS..  trans-124.7171.2178.356-83.9000110.1W20 P22 Y175 F233 P302 G306 Y307 Y308W20-Y304 WeakPolarHBondContact O-CD2 3.45Å; W20-Y304 WeakPolarHBondContact O-CE2 3.44Å; P22-Y304 HydrophobicContact CG-CD1 4.28Å; P22-Y304 HydrophobicContact CG-CE1 3.85Å; Y175-Y304 PolarHBondContact OH-OH 2.61Å; Y175-Y304 VanDerWaalsContact OH-OH 3.08Å; F233-Y304 WeakPolarHBondContact CZ-OH 3.34Å; P302-Y304 WeakPolarHBondContact O-CD1 3.44Å; P302-Y304 PolarHBondContact O-N 3.49Å; Y304-G306 PolarHBondContact O-N 3.22Å; Y304-Y307 WeakPolarHBondContact O-CB 3.2Å; Y304-Y307 PolarHBondContact O-N 3.02Å; Y304-Y307 VanDerWaalsContact O-N 3.14Å; Y304-Y308 WeakPolarHBondContact O-CD2 3.41Å; Y304-Y308 PolarHBondContact O-N 3.29Å
305F87.9Confident89.8Confident98 Ų9852 Ų5243%0.4326%0.263SS..Hα-helixtrans-61.8-41.3-173.3169.3-87.2000112.9L19 W20 Y307 Y308 F309L19-F305 HydrophobicContact CD2-CD1 3.41Å; L19-F305 VanDerWaalsContact CD2-CD1 3.41Å; L19-F305 HydrophobicContact CD2-CE1 3.6Å; L19-F305 HydrophobicContact CD2-CG 4.17Å; L19-F305 HydrophobicContact CD2-CZ 4.48Å; L19-F305 HydrophobicContact CG-CB 4.07Å; L19-F305 HydrophobicContact CG-CD1 3.62Å; L19-F305 HydrophobicContact CG-CE1 4.29Å; L19-F305 HydrophobicContact CG-CG 3.94Å; L19-F305 VanDerWaalsContact O-CB 3.23Å; L19-F305 WeakPolarHBondContact O-CB 3.4Å; L19-F305 PolarHBondContact O-N 3.49Å; W20-F305 HydrophobicContact CD2-CD1 4.49Å; W20-F305 AromaticContact CE3-CD1 3.9Å; W20-F305 HydrophobicContact CE3-CD1 3.9Å; W20-F305 HydrophobicContact CE3-CE1 4.02Å; W20-F305 HydrophobicContact CH2-CD1 4.25Å; W20-F305 AromaticContact CH2-CE1 3.55Å; W20-F305 HydrophobicContact CH2-CE1 3.55Å; W20-F305 HydrophobicContact CZ2-CE1 4.19Å; W20-F305 AromaticContact CZ3-CD1 3.79Å; W20-F305 HydrophobicContact CZ3-CD1 3.79Å; W20-F305 AromaticContact CZ3-CE1 3.42Å; W20-F305 HydrophobicContact CZ3-CE1 3.42Å; W20-F305 VanDerWaalsContact CZ3-CE1 3.42Å; F305-Y307 VanDerWaalsContact C-N 3.28Å; F305-Y307 PolarHBondContact O-N 2.87Å; F305-Y308 PolarHBondContact O-N 3.2Å; F305-Y308 VanDerWaalsContact O-N 3.1Å; F305-F309 HydrophobicContact CE1-CB 4.24Å; F305-F309 HydrophobicContact CZ-CB 4.49Å; F305-F309 HydrophobicContact CZ-CD2 4.47Å; F305-F309 WeakPolarHBondContact O-CB 3.39Å; F305-F309 PolarHBondContact O-N 3.08Å
306G87.9Confident90Very high0 Ų052.4 Ų52.40%027%0.266CS..Hα-helixtrans-55.5-37.7173.900000114.5L19 Y304 F310L19-G306 PolarHBondContact O-N 3.2Å; Y304-G306 PolarHBondContact O-N 3.22Å; G306-F310 WeakPolarHBondContact O-CB 3.23Å; G306-F310 PolarHBondContact O-N 2.94Å
307Y89.8Confident90.3Very high12 Ų1250.7 Ų50.75%0.04726%0.259CS..Hα-helixtrans-62.3-47.2173.5160.4-87.2000111.9T293 W294 P297 V298 A303 Y304 F305 N311T293-Y307 WeakPolarHBondContact O-CE2 3.33Å; W294-Y307 WeakPolarHBondContact CA-OH 3.41Å; W294-Y307 PolarHBondContact O-OH 3.15Å; P297-Y307 HydrophobicContact CB-CD2 4.13Å; P297-Y307 HydrophobicContact CB-CE2 4.29Å; P297-Y307 HydrophobicContact CG-CD2 4.48Å; P297-Y307 HydrophobicContact CG-CE2 4.46Å; V298-Y307 HydrophobicContact CG2-CE2 3.76Å; A303-Y307 HydrophobicContact CB-CD1 3.9Å; A303-Y307 HydrophobicContact CB-CE1 4.16Å; Y304-Y307 WeakPolarHBondContact O-CB 3.2Å; Y304-Y307 PolarHBondContact O-N 3.02Å; Y304-Y307 VanDerWaalsContact O-N 3.14Å; F305-Y307 VanDerWaalsContact C-N 3.28Å; F305-Y307 PolarHBondContact O-N 2.87Å; Y307-N311 WeakPolarHBondContact CE2-ND2 3.41Å; Y307-N311 PolarHBondContact O-N 3.21Å; Y307-N311 PolarHBondContact O-ND2 2.96Å
308Y92.3Very high90.7Very high127 Ų12751.8 Ų51.850%0.49827%0.265SS..Hα-helixtrans-66.8-43.9178.9-69.8-69.8000111.4A303 Y304 F305 F310 N311 V312A303-Y308 HydrophobicContact CB-CE2 3.76Å; A303-Y308 WeakPolarHBondContact CB-OH 3.48Å; Y304-Y308 WeakPolarHBondContact O-CD2 3.41Å; Y304-Y308 PolarHBondContact O-N 3.29Å; F305-Y308 PolarHBondContact O-N 3.2Å; F305-Y308 VanDerWaalsContact O-N 3.1Å; Y308-F310 PolarHBondContact O-N 2.88Å; Y308-N311 PolarHBondContact O-N 2.9Å; Y308-V312 WeakPolarHBondContact O-CB 3.08Å; Y308-V312 VanDerWaalsContact O-CG2 3.25Å; Y308-V312 WeakPolarHBondContact O-CG2 3.12Å; Y308-V312 PolarHBondContact O-N 2.85Å
309F92.6Very high91.1Very high58 Ų5855.2 Ų55.225%0.25427%0.274SS..Hα-helixtrans-57.2-48.6178.8179.2-100000111.6W20 V223 F227 F305 V312 M313W20-F309 HydrophobicContact CZ3-CD1 4.24Å; W20-F309 HydrophobicContact CZ3-CG 4.32Å; V223-F309 HydrophobicContact CG1-CE1 4.42Å; V223-F309 HydrophobicContact CG1-CZ 3.98Å; F227-F309 HydrophobicContact CB-CE1 4.03Å; F227-F309 HydrophobicContact CD1-CD1 4.04Å; F227-F309 HydrophobicContact CD1-CE1 4.32Å; F227-F309 AromaticContact CD2-CD1 3.72Å; F227-F309 HydrophobicContact CD2-CD1 3.72Å; F227-F309 AromaticContact CD2-CE1 3.77Å; F227-F309 HydrophobicContact CD2-CE1 3.77Å; F227-F309 HydrophobicContact CE1-CD1 4.21Å; F227-F309 AromaticContact CE2-CD1 3.92Å; F227-F309 HydrophobicContact CE2-CD1 3.92Å; F227-F309 HydrophobicContact CE2-CE1 4.42Å; F227-F309 AromaticContact CG-CD1 3.78Å; F227-F309 HydrophobicContact CG-CD1 3.78Å; F227-F309 AromaticContact CG-CE1 3.71Å; F227-F309 HydrophobicContact CG-CE1 3.71Å; F227-F309 HydrophobicContact CZ-CD1 4.14Å; F305-F309 HydrophobicContact CE1-CB 4.24Å; F305-F309 HydrophobicContact CZ-CB 4.49Å; F305-F309 HydrophobicContact CZ-CD2 4.47Å; F305-F309 WeakPolarHBondContact O-CB 3.39Å; F305-F309 PolarHBondContact O-N 3.08Å; F309-V312 PolarHBondContact O-N 2.85Å; F309-M313 HydrophobicContact CE1-CG 4.15Å; F309-M313 HydrophobicContact CE2-CG 4.31Å; F309-M313 HydrophobicContact CZ-CG 4.03Å; F309-M313 HydrophobicContact CZ-SD 4.49Å; F309-M313 WeakPolarHBondContact O-CG 3.25Å; F309-M313 PolarHBondContact O-N 2.96Å
310F92.9Very high91.4Very high3 Ų349.6 Ų49.61%0.01325%0.249CC..Hα-helixtrans-61.6-48.5178.7-170.7-115.8000112.7L224 F227 F233 T293 G306 Y308 V312 M313 L314L224-F310 HydrophobicContact CD1-CD2 3.51Å; L224-F310 HydrophobicContact CD1-CE2 3.39Å; L224-F310 HydrophobicContact CD1-CG 4.49Å; L224-F310 HydrophobicContact CD1-CZ 4.29Å; L224-F310 HydrophobicContact CG-CD2 4.47Å; L224-F310 HydrophobicContact CG-CE2 3.95Å; F227-F310 HydrophobicContact CD1-CB 4.16Å; F227-F310 AromaticContact CD1-CD2 3.74Å; F227-F310 HydrophobicContact CD1-CD2 3.74Å; F227-F310 HydrophobicContact CD1-CG 4.35Å; F227-F310 HydrophobicContact CE1-CB 3.76Å; F227-F310 HydrophobicContact CE1-CD2 4.09Å; F227-F310 HydrophobicContact CE1-CG 4.25Å; F233-F310 HydrophobicContact CD2-CB 4.34Å; F233-F310 AromaticContact CD2-CD1 3.79Å; F233-F310 HydrophobicContact CD2-CD1 3.79Å; F233-F310 AromaticContact CD2-CD2 3.92Å; F233-F310 HydrophobicContact CD2-CD2 3.92Å; F233-F310 AromaticContact CD2-CE1 3.99Å; F233-F310 HydrophobicContact CD2-CE1 3.99Å; F233-F310 HydrophobicContact CD2-CE2 4.12Å; F233-F310 AromaticContact CD2-CG 3.74Å; F233-F310 HydrophobicContact CD2-CG 3.74Å; F233-F310 HydrophobicContact CD2-CZ 4.16Å; F233-F310 HydrophobicContact CE2-CB 3.83Å; F233-F310 AromaticContact CE2-CD1 3.82Å; F233-F310 HydrophobicContact CE2-CD1 3.82Å; F233-F310 HydrophobicContact CE2-CD2 4.27Å; F233-F310 HydrophobicContact CE2-CE1 4.44Å; F233-F310 AromaticContact CE2-CG 3.71Å; F233-F310 HydrophobicContact CE2-CG 3.71Å; T293-F310 HydrophobicContact CG2-CD1 4.21Å; T293-F310 HydrophobicContact CG2-CE1 3.68Å; G306-F310 WeakPolarHBondContact O-CB 3.23Å; G306-F310 PolarHBondContact O-N 2.94Å; Y308-F310 PolarHBondContact O-N 2.88Å; F310-V312 PolarHBondContact O-N 2.77Å; F310-M313 PolarHBondContact O-N 2.95Å; F310-L314 HydrophobicContact CD1-CD1 3.86Å; F310-L314 HydrophobicContact CD1-CG 4.47Å; F310-L314 HydrophobicContact CE1-CD1 3.56Å; F310-L314 HydrophobicContact CE1-CG 4.24Å; F310-L314 HydrophobicContact CZ-CD1 4.09Å; F310-L314 HydrophobicContact CZ-CD2 4.37Å; F310-L314 HydrophobicContact CZ-CG 4.36Å; F310-L314 WeakPolarHBondContact O-CG 3.43Å; F310-L314 PolarHBondContact O-N 3.46Å
311N94.7Very high92.1Very high3 Ų344.5 Ų44.52%0.01623%0.225CC..Hα-helixtrans-64.9-38.4-179.9-79.7-74.2000112T293 W294 Y307 Y308 L314 V315T293-N311 WeakPolarHBondContact CB-OD1 3.41Å; T293-N311 PolarHBondContact O-ND2 3.3Å; T293-N311 PolarHBondContact OG1-OD1 3.01Å; W294-N311 HydrophobicContact CE3-CB 3.98Å; W294-N311 HydrophobicContact CZ3-CB 4.07Å; Y307-N311 WeakPolarHBondContact CE2-ND2 3.41Å; Y307-N311 PolarHBondContact O-N 3.21Å; Y307-N311 PolarHBondContact O-ND2 2.96Å; Y308-N311 PolarHBondContact O-N 2.9Å; N311-L314 PolarHBondContact O-N 3.22Å; N311-V315 WeakPolarHBondContact O-CG2 3.29Å; N311-V315 PolarHBondContact O-N 2.85Å
312V95.1Very high92.7Very high89 Ų8945.5 Ų45.554%0.53923%0.234SC..Hα-helixtrans-61.3-44.8173.7168.50000110.9Y308 F309 F310 L314 V315 V316Y308-V312 WeakPolarHBondContact O-CB 3.08Å; Y308-V312 VanDerWaalsContact O-CG2 3.25Å; Y308-V312 WeakPolarHBondContact O-CG2 3.12Å; Y308-V312 PolarHBondContact O-N 2.85Å; F309-V312 PolarHBondContact O-N 2.85Å; F310-V312 PolarHBondContact O-N 2.77Å; V312-L314 VanDerWaalsContact C-N 3.35Å; V312-L314 PolarHBondContact O-N 3.01Å; V312-V315 PolarHBondContact O-N 2.7Å; V312-V316 WeakPolarHBondContact O-CG2 3.47Å; V312-V316 PolarHBondContact O-N 3.08Å
313M94.7Very high93.2Very high30 Ų3044.7 Ų44.715%0.14822%0.221CC..Hα-helixtrans-63.5-38.2177.5-71.7-61.6-5900112.5A220 V223 L224 F309 F310 V315 V316 L317A220-M313 HydrophobicContact CB-CE 3.88Å; A220-M313 WeakPolarHBondContact O-CE 3.37Å; V223-M313 HydrophobicContact CB-CE 4.24Å; V223-M313 HydrophobicContact CG1-CE 4.08Å; L224-M313 HydrophobicContact CD1-CB 3.57Å; F309-M313 HydrophobicContact CE1-CG 4.15Å; F309-M313 HydrophobicContact CE2-CG 4.31Å; F309-M313 HydrophobicContact CZ-CG 4.03Å; F309-M313 HydrophobicContact CZ-SD 4.49Å; F309-M313 WeakPolarHBondContact O-CG 3.25Å; F309-M313 PolarHBondContact O-N 2.96Å; F310-M313 PolarHBondContact O-N 2.95Å; M313-V315 VanDerWaalsContact C-N 3.35Å; M313-V316 PolarHBondContact O-N 3.15Å; M313-L317 PolarHBondContact O-N 2.95Å
314L95.8Very high93.5Very high1 Ų144.1 Ų44.11%0.00521%0.21CC..Hα-helixtrans-63.8-38.8172.9-69.5175.2000112.4L224 V240 F285 I290 T293 F310 N311 V312 L317 L318L224-L314 HydrophobicContact CD1-CD2 4.02Å; L224-L314 HydrophobicContact CD1-CG 4.14Å; L224-L314 HydrophobicContact CD2-CD2 3.69Å; L224-L314 HydrophobicContact CG-CD2 4.45Å; V240-L314 HydrophobicContact CG2-CD2 4.35Å; F285-L314 HydrophobicContact CE2-CD2 3.9Å; F285-L314 HydrophobicContact CZ-CB 4.3Å; F285-L314 HydrophobicContact CZ-CD2 3.85Å; I290-L314 HydrophobicContact CD1-CB 4.23Å; I290-L314 HydrophobicContact CG1-CB 4.09Å; I290-L314 HydrophobicContact CG1-CD1 4.43Å; T293-L314 HydrophobicContact CG2-CD1 4.01Å; F310-L314 HydrophobicContact CD1-CD1 3.86Å; F310-L314 HydrophobicContact CD1-CG 4.47Å; F310-L314 HydrophobicContact CE1-CD1 3.56Å; F310-L314 HydrophobicContact CE1-CG 4.24Å; F310-L314 HydrophobicContact CZ-CD1 4.09Å; F310-L314 HydrophobicContact CZ-CD2 4.37Å; F310-L314 HydrophobicContact CZ-CG 4.36Å; F310-L314 WeakPolarHBondContact O-CG 3.43Å; F310-L314 PolarHBondContact O-N 3.46Å; N311-L314 PolarHBondContact O-N 3.22Å; V312-L314 VanDerWaalsContact C-N 3.35Å; V312-L314 PolarHBondContact O-N 3.01Å; L314-L317 WeakPolarHBondContact O-CB 3.44Å; L314-L317 PolarHBondContact O-N 3.23Å; L314-L318 PolarHBondContact O-N 3.32Å
315V95.9Very high93.9Very high46 Ų4643.4 Ų43.428%0.27921%0.209SC..Hα-helixtrans-68.1-40.2176.1168.90000111.5N311 V312 M313 L317 L318 F319N311-V315 WeakPolarHBondContact O-CG2 3.29Å; N311-V315 PolarHBondContact O-N 2.85Å; V312-V315 PolarHBondContact O-N 2.7Å; M313-V315 VanDerWaalsContact C-N 3.35Å; V315-L317 VanDerWaalsContact C-N 3.25Å; V315-L317 PolarHBondContact O-N 3.46Å; V315-L318 WeakPolarHBondContact O-CB 3.35Å; V315-L318 PolarHBondContact O-N 3.45Å; V315-L318 VanDerWaalsContact O-N 3.14Å; V315-F319 HydrophobicContact CG1-CD2 3.83Å; V315-F319 HydrophobicContact CG1-CE2 3.46Å; V315-F319 VanDerWaalsContact CG1-CE2 3.46Å; V315-F319 HydrophobicContact CG1-CZ 4.46Å; V315-F319 WeakPolarHBondContact O-CD2 3.41Å; V315-F319 PolarHBondContact O-N 2.9Å
316V94.9Very high94.2Very high56 Ų5645.4 Ų45.434%0.33922%0.215SC..Hα-helixtrans-57.2-43.6171.5170.10000110.4V312 M313 L318 F319 L320V312-V316 WeakPolarHBondContact O-CG2 3.47Å; V312-V316 PolarHBondContact O-N 3.08Å; M313-V316 PolarHBondContact O-N 3.15Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 2.98Å; V316-F319 PolarHBondContact O-N 3.19Å; V316-L320 PolarHBondContact O-N 3.37Å
317L95.2Very high94.4Very high2 Ų248.3 Ų48.31%0.0123%0.23CC..Hα-helixtrans-63-40.1176.6-161.467.3000111.9H217 T221 L224 H244 F285 M313 L314 V315 F319 L320 H321H217-L317 VanDerWaalsContact ND1-CD1 3.34Å; H217-L317 WeakPolarHBondContact ND1-CD1 3.47Å; T221-L317 HydrophobicContact CG2-CD1 3.69Å; T221-L317 HydrophobicContact CG2-CD2 4.49Å; L224-L317 HydrophobicContact CD2-CD2 4.2Å; H244-L317 WeakPolarHBondContact NE2-CD2 3.45Å; F285-L317 HydrophobicContact CE1-CB 4.42Å; F285-L317 HydrophobicContact CZ-CB 4.28Å; F285-L317 HydrophobicContact CZ-CD2 3.91Å; F285-L317 HydrophobicContact CZ-CG 4.43Å; M313-L317 PolarHBondContact O-N 2.95Å; L314-L317 WeakPolarHBondContact O-CB 3.44Å; L314-L317 PolarHBondContact O-N 3.23Å; V315-L317 VanDerWaalsContact C-N 3.25Å; V315-L317 PolarHBondContact O-N 3.46Å; L317-F319 PolarHBondContact O-N 2.98Å; L317-L320 PolarHBondContact O-N 2.98Å; L317-H321 VanDerWaalsContact O-CG 3.32Å; L317-H321 PolarHBondContact O-N 3.18Å; L317-H321 PolarHBondContact O-ND1 3.36Å
318L96.7Very high94.4Very high32 Ų3248.4 Ų48.417%0.16823%0.231CC..Hα-helixtrans-60.9-43174.6179.864.7000112.2L282 F285 P286 I290 L314 V315 V316 L320 H321 I322L282-L318 HydrophobicContact CD2-CD1 4.46Å; F285-L318 HydrophobicContact CD1-CB 4.4Å; F285-L318 HydrophobicContact CD1-CD1 4.09Å; F285-L318 HydrophobicContact CE1-CB 4Å; P286-L318 HydrophobicContact CB-CD1 4.02Å; P286-L318 HydrophobicContact CB-CD2 3.96Å; P286-L318 HydrophobicContact CG-CD1 4.07Å; I290-L318 HydrophobicContact CD1-CB 4.23Å; I290-L318 HydrophobicContact CD1-CD2 4.11Å; L314-L318 PolarHBondContact O-N 3.32Å; V315-L318 WeakPolarHBondContact O-CB 3.35Å; V315-L318 PolarHBondContact O-N 3.45Å; V315-L318 VanDerWaalsContact O-N 3.14Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 2.98Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 2.81Å; L318-H321 WeakPolarHBondContact O-CB 3.39Å; L318-H321 PolarHBondContact O-N 3.01Å; L318-H321 VanDerWaalsContact O-N 3.12Å; L318-I322 HydrophobicContact CG-CD1 4.17Å; L318-I322 WeakPolarHBondContact O-CG1 3.15Å; L318-I322 PolarHBondContact O-N 2.86Å
319F96.4Very high94.4Very high139 Ų13948 Ų4861%0.6123%0.232SC*.Hα-helixtrans-61.3-39.3176.8-79-65.1000112.4V315 V316 L317 H321 I322 F323V315-F319 HydrophobicContact CG1-CD2 3.83Å; V315-F319 HydrophobicContact CG1-CE2 3.46Å; V315-F319 VanDerWaalsContact CG1-CE2 3.46Å; V315-F319 HydrophobicContact CG1-CZ 4.46Å; V315-F319 WeakPolarHBondContact O-CD2 3.41Å; V315-F319 PolarHBondContact O-N 2.9Å; V316-F319 PolarHBondContact O-N 3.19Å; L317-F319 PolarHBondContact O-N 2.98Å; F319-H321 VanDerWaalsContact C-N 3.34Å; F319-I322 PolarHBondContact O-N 3.44Å; F319-F323 PolarHBondContact O-N 3.12Å
320L93.9Very high94.3Very high21 Ų2150.7 Ų50.711%0.1124%0.241CC..Hα-helixtrans-63.1-40.8173.3-68167.9000111.4I216 H217 V316 L317 L318 I322 F323 W324I216-L320 HydrophobicContact CG2-CD1 4.36Å; H217-L320 HydrophobicContact CB-CD1 4Å; V316-L320 PolarHBondContact O-N 3.37Å; L317-L320 PolarHBondContact O-N 2.98Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 2.81Å; L320-I322 PolarHBondContact O-N 3.03Å; L320-F323 WeakPolarHBondContact O-CB 3.19Å; L320-F323 PolarHBondContact O-N 3.12Å; L320-W324 HydrophobicContact CB-CE3 4.3Å; L320-W324 HydrophobicContact CB-CH2 4.3Å; L320-W324 HydrophobicContact CB-CZ3 3.92Å; L320-W324 PolarHBondContact O-N 3.41Å
321H95.4Very high94Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-63.1-39.6174.4-59.9143.7000113H244 F277 R281 L282 F285 L317 L318 F319 F323 W324 A325H244-H321 AromaticContact CD2-CE1 3.95Å; H244-H321 AromaticContact CD2-NE2 3.94Å; H244-H321 AromaticContact NE2-CE1 3.19Å; H244-H321 PolarHBondContact NE2-CE1 3.1Å; H244-H321 AromaticContact NE2-NE2 3.64Å; F277-H321 HydrophobicContact CZ-CB 4.47Å; R281-H321 HydrophobicContact CB-CB 4.08Å; R281-H321 PolarHBondContact NH1-NE2 2.89Å; L282-H321 HydrophobicContact CD2-CB 4.41Å; F285-H321 AromaticContact CD1-ND1 3.79Å; F285-H321 AromaticContact CE1-CE1 3.99Å; F285-H321 AromaticContact CE1-ND1 3.85Å; L317-H321 VanDerWaalsContact O-CG 3.32Å; L317-H321 PolarHBondContact O-N 3.18Å; L317-H321 PolarHBondContact O-ND1 3.36Å; L318-H321 WeakPolarHBondContact O-CB 3.39Å; L318-H321 PolarHBondContact O-N 3.01Å; L318-H321 VanDerWaalsContact O-N 3.12Å; F319-H321 VanDerWaalsContact C-N 3.34Å; H321-F323 VanDerWaalsContact C-N 3.32Å; H321-F323 PolarHBondContact O-N 3.29Å; H321-W324 AromaticContact CD2-CE3 3.96Å; H321-W324 AromaticContact CD2-CZ3 3.93Å; H321-W324 PolarHBondContact O-N 3.14Å; H321-A325 VanDerWaalsContact O-CB 3.28Å; H321-A325 WeakPolarHBondContact O-CB 3.09Å; H321-A325 PolarHBondContact O-N 3.04Å
322I96.6Very high93.7Very high83 Ų8354.9 Ų54.943%0.42626%0.262SS..Hα-helixtrans-62.9-41.6175-67.4167.2000110.4L282 L318 F319 L320 A325 Y326L282-I322 HydrophobicContact CD2-CG1 3.84Å; L318-I322 HydrophobicContact CG-CD1 4.17Å; L318-I322 WeakPolarHBondContact O-CG1 3.15Å; L318-I322 PolarHBondContact O-N 2.86Å; F319-I322 PolarHBondContact O-N 3.44Å; L320-I322 PolarHBondContact O-N 3.03Å; I322-A325 WeakPolarHBondContact O-CB 3.37Å; I322-A325 PolarHBondContact O-N 2.94Å; I322-Y326 PolarHBondContact O-N 3.47Å
323F94.7Very high93.3Very high75 Ų7557.2 Ų57.233%0.32926%0.261SS..Hα-helixtrans-58.7-48.7174.6169.5-96.8000111.9E213 F319 L320 H321 Y326 L327E213-F323 HydrophobicContact CB-CE1 4.15Å; E213-F323 HydrophobicContact CG-CD1 4.29Å; E213-F323 HydrophobicContact CG-CE1 3.74Å; E213-F323 HydrophobicContact CG-CZ 4Å; F319-F323 PolarHBondContact O-N 3.12Å; L320-F323 WeakPolarHBondContact O-CB 3.19Å; L320-F323 PolarHBondContact O-N 3.12Å; H321-F323 VanDerWaalsContact C-N 3.32Å; H321-F323 PolarHBondContact O-N 3.29Å; F323-Y326 WeakPolarHBondContact O-CB 3.29Å; F323-Y326 PolarHBondContact O-N 3.38Å; F323-L327 HydrophobicContact CD1-CD1 4.38Å; F323-L327 HydrophobicContact CE1-CD1 3.66Å; F323-L327 HydrophobicContact CE1-CG 4.38Å; F323-L327 HydrophobicContact CZ-CD1 3.83Å; F323-L327 HydrophobicContact CZ-CG 4.36Å; F323-L327 PolarHBondContact O-N 3.17Å
324W93.8Very high92.7Very high28 Ų2860.7 Ų60.711%0.10628%0.275CS..Hα-helixtrans-68.8-34.8177.1-69.5-53.9000113.2Q214 H217 F277 L320 H321 Y326 L327 I328Q214-W324 VanDerWaalsContact OE1-CZ2 3.27Å; H217-W324 HydrophobicContact CB-CH2 3.53Å; H217-W324 HydrophobicContact CB-CZ2 4.21Å; H217-W324 HydrophobicContact CB-CZ3 4.5Å; H217-W324 AromaticContact CE1-CZ3 3.96Å; H217-W324 AromaticContact CG-CH2 3.42Å; H217-W324 VanDerWaalsContact CG-CH2 3.42Å; H217-W324 AromaticContact ND1-CH2 3.4Å; H217-W324 WeakPolarHBondContact ND1-CH2 3.47Å; H217-W324 AromaticContact ND1-CZ3 3.57Å; F277-W324 HydrophobicContact CZ-CB 3.95Å; L320-W324 HydrophobicContact CB-CE3 4.3Å; L320-W324 HydrophobicContact CB-CH2 4.3Å; L320-W324 HydrophobicContact CB-CZ3 3.92Å; L320-W324 PolarHBondContact O-N 3.41Å; H321-W324 AromaticContact CD2-CE3 3.96Å; H321-W324 AromaticContact CD2-CZ3 3.93Å; H321-W324 PolarHBondContact O-N 3.14Å; W324-Y326 VanDerWaalsContact C-N 3.26Å; W324-Y326 PolarHBondContact O-N 3.43Å; W324-L327 PolarHBondContact O-N 2.9Å; W324-L327 VanDerWaalsContact O-N 3.09Å; W324-I328 VanDerWaalsContact O-CG1 3.27Å; W324-I328 WeakPolarHBondContact O-CG1 3.28Å; W324-I328 PolarHBondContact O-N 3.15Å
325A95.1Very high91.9Very high8 Ų865.1 Ų65.17%0.06630%0.295CS..Hα-helixtrans-57.7-41.717300000111.4F277 M278 L282 H321 I322 I328 F329F277-A325 HydrophobicContact CE1-CB 4.08Å; M278-A325 HydrophobicContact CE-CB 3.67Å; M278-A325 HydrophobicContact SD-CB 4.01Å; L282-A325 HydrophobicContact CD1-CB 3.73Å; L282-A325 HydrophobicContact CG-CB 4.42Å; H321-A325 VanDerWaalsContact O-CB 3.28Å; H321-A325 WeakPolarHBondContact O-CB 3.09Å; H321-A325 PolarHBondContact O-N 3.04Å; I322-A325 WeakPolarHBondContact O-CB 3.37Å; I322-A325 PolarHBondContact O-N 2.94Å; A325-I328 PolarHBondContact O-N 3.31Å; A325-F329 WeakPolarHBondContact O-CB 3.12Å; A325-F329 PolarHBondContact O-N 2.74Å
326Y94.7Very high91.1Very high140 Ų14068 Ų6855%0.54931%0.308SS..Hα-helixtrans-60.5-43.6173.6168.2-96.5000112.1I322 F323 W324 F329 R330I322-Y326 PolarHBondContact O-N 3.47Å; F323-Y326 WeakPolarHBondContact O-CB 3.29Å; F323-Y326 PolarHBondContact O-N 3.38Å; W324-Y326 VanDerWaalsContact C-N 3.26Å; W324-Y326 PolarHBondContact O-N 3.43Å; Y326-F329 PolarHBondContact O-N 2.98Å; Y326-R330 WeakPolarHBondContact O-CB 3.22Å; Y326-R330 PolarHBondContact O-N 3.19Å
327L90.4Very high90.1Very high61 Ų6171 Ų7132%0.31932%0.317SS..Hα-helixtrans-64.4-42.2176.6-64.3-176.4000112.4F323 W324 R330 M331F323-L327 HydrophobicContact CD1-CD1 4.38Å; F323-L327 HydrophobicContact CE1-CD1 3.66Å; F323-L327 HydrophobicContact CE1-CG 4.38Å; F323-L327 HydrophobicContact CZ-CD1 3.83Å; F323-L327 HydrophobicContact CZ-CG 4.36Å; F323-L327 PolarHBondContact O-N 3.17Å; W324-L327 PolarHBondContact O-N 2.9Å; W324-L327 VanDerWaalsContact O-N 3.09Å; L327-R330 PolarHBondContact O-N 3.42Å; L327-M331 WeakPolarHBondContact O-CB 3.46Å; L327-M331 PolarHBondContact O-N 3.03Å
328I91.5Very high88.4Confident14 Ų1472.6 Ų72.67%0.07233%0.333CS..Hα-helixtrans-61.2-47.3176.3-67.5165.4000109.8F270 F273 A274 F277 M278 W324 A325 R330 M331 I332F270-I328 HydrophobicContact CZ-CG2 4.12Å; F273-I328 HydrophobicContact CE1-CD1 3.63Å; F273-I328 HydrophobicContact CE1-CG1 3.93Å; F273-I328 HydrophobicContact CZ-CD1 3.58Å; F273-I328 HydrophobicContact CZ-CG1 4.3Å; A274-I328 HydrophobicContact CB-CG2 3.66Å; F277-I328 HydrophobicContact CB-CD1 4.45Å; F277-I328 HydrophobicContact CD1-CD1 3.62Å; F277-I328 HydrophobicContact CD2-CD1 4.17Å; F277-I328 HydrophobicContact CE1-CD1 3.81Å; F277-I328 HydrophobicContact CE2-CD1 4.33Å; F277-I328 HydrophobicContact CG-CD1 3.81Å; F277-I328 HydrophobicContact CZ-CD1 4.16Å; M278-I328 HydrophobicContact CE-CB 4.28Å; M278-I328 HydrophobicContact CE-CG2 4.12Å; W324-I328 VanDerWaalsContact O-CG1 3.27Å; W324-I328 WeakPolarHBondContact O-CG1 3.28Å; W324-I328 PolarHBondContact O-N 3.15Å; A325-I328 PolarHBondContact O-N 3.31Å; I328-R330 PolarHBondContact O-N 3.1Å; I328-M331 WeakPolarHBondContact O-CB 3.23Å; I328-M331 PolarHBondContact O-N 2.91Å; I328-M331 VanDerWaalsContact O-N 3.14Å; I328-I332 HydrophobicContact CG2-CD1 3.92Å; I328-I332 WeakPolarHBondContact O-CG1 3.37Å; I328-I332 PolarHBondContact O-N 3.35Å
329F91.4Very high86.1Confident118 Ų11876.6 Ų76.652%0.51836%0.359SS..Hα-helixtrans-63.4-42.1179-174.5-105.5000112.3A325 Y326 M331 I332 R333A325-F329 WeakPolarHBondContact O-CB 3.12Å; A325-F329 PolarHBondContact O-N 2.74Å; Y326-F329 PolarHBondContact O-N 2.98Å; F329-M331 VanDerWaalsContact C-N 3.26Å; F329-M331 PolarHBondContact O-N 3.07Å; F329-I332 PolarHBondContact O-N 3.35Å; F329-R333 HydrophobicContact CD1-CG 4.29Å; F329-R333 HydrophobicContact CE1-CG 3.95Å; F329-R333 HydrophobicContact CZ-CG 4.09Å; F329-R333 WeakPolarHBondContact O-CG 3.13Å; F329-R333 PolarHBondContact O-N 3.2Å
330R89.8Confident83.4Confident116 Ų11676.5 Ų76.544%0.43836%0.364SS..Hα-helixtrans-57.2-41.8173-179.3178.7172176.5-0.8111.3Y326 L327 I328 R333 K334 Q354Y326-R330 WeakPolarHBondContact O-CB 3.22Å; Y326-R330 PolarHBondContact O-N 3.19Å; L327-R330 PolarHBondContact O-N 3.42Å; I328-R330 PolarHBondContact O-N 3.1Å; R330-R333 PolarHBondContact O-N 3.26Å; R330-K334 PolarHBondContact O-N 3.42Å; R330-K334 VanDerWaalsContact O-N 3.07Å; R330-Q354 VanDerWaalsContact NH2-CD 3.3Å
331M86.9Confident80.7Confident51 Ų5180.6 Ų80.625%0.25139%0.39SS..Hα-helixtrans-68.9-40.8179.1-162.8161.277.600112.6F270 L327 I328 F329 K334 F335 L358F270-M331 HydrophobicContact CD1-CE 4.26Å; F270-M331 HydrophobicContact CD2-CE 3.68Å; F270-M331 HydrophobicContact CE1-CE 3.61Å; F270-M331 HydrophobicContact CE2-CE 2.95Å; F270-M331 HydrophobicContact CG-CE 4.31Å; F270-M331 HydrophobicContact CZ-CB 4.43Å; F270-M331 HydrophobicContact CZ-CE 2.94Å; F270-M331 HydrophobicContact CZ-CG 4.47Å; L327-M331 WeakPolarHBondContact O-CB 3.46Å; L327-M331 PolarHBondContact O-N 3.03Å; I328-M331 WeakPolarHBondContact O-CB 3.23Å; I328-M331 PolarHBondContact O-N 2.91Å; I328-M331 VanDerWaalsContact O-N 3.14Å; F329-M331 VanDerWaalsContact C-N 3.26Å; F329-M331 PolarHBondContact O-N 3.07Å; M331-K334 PolarHBondContact O-N 2.88Å; M331-F335 PolarHBondContact O-N 2.8Å; M331-L358 HydrophobicContact CE-CD1 4.34Å; M331-L358 HydrophobicContact CG-CD1 3.38Å; M331-L358 HydrophobicContact CG-CG 4.44Å; M331-L358 HydrophobicContact SD-CD1 3.4Å; M331-L358 WeakPolarHBondContact SD-CD1 3.48Å; M331-L358 HydrophobicContact SD-CD2 4.19Å; M331-L358 HydrophobicContact SD-CG 3.85Å
332I88.4Confident78.1Confident42 Ų4291.7 Ų91.722%0.21543%0.432CS..Hα-helixtrans-62.8-44.2174.6-68.6168.6000111F270 A274 I328 F329 K334 F335 L336F270-I332 HydrophobicContact CE1-CG1 3.74Å; F270-I332 HydrophobicContact CZ-CG1 4.25Å; A274-I332 HydrophobicContact CB-CD1 3.66Å; I328-I332 HydrophobicContact CG2-CD1 3.92Å; I328-I332 WeakPolarHBondContact O-CG1 3.37Å; I328-I332 PolarHBondContact O-N 3.35Å; F329-I332 PolarHBondContact O-N 3.35Å; I332-K334 VanDerWaalsContact C-N 3.31Å; I332-K334 PolarHBondContact O-N 3.09Å; I332-F335 WeakPolarHBondContact O-CB 3.45Å; I332-F335 PolarHBondContact O-N 3.24Å; I332-F335 VanDerWaalsContact O-N 3.1Å; I332-L336 HydrophobicContact CG2-CD1 3.73Å; I332-L336 HydrophobicContact CG2-CG 4.22Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 3.42Å
333R86.3Confident75.2Confident138 Ų13894.6 Ų94.652%0.52145%0.449SS..Hα-helixtrans-58-45.3174.9-77.3-176.759.5-176.80.5111.3F329 R330 F335 L336 F337F329-R333 HydrophobicContact CD1-CG 4.29Å; F329-R333 HydrophobicContact CE1-CG 3.95Å; F329-R333 HydrophobicContact CZ-CG 4.09Å; F329-R333 WeakPolarHBondContact O-CG 3.13Å; F329-R333 PolarHBondContact O-N 3.2Å; R330-R333 PolarHBondContact O-N 3.26Å; R333-F335 VanDerWaalsContact C-N 3.27Å; R333-F335 PolarHBondContact O-N 2.91Å; R333-L336 PolarHBondContact O-N 2.77Å; R333-F337 HydrophobicContact CB-CD2 4.17Å; R333-F337 HydrophobicContact CB-CE2 4.48Å; R333-F337 HydrophobicContact CG-CD2 4.48Å; R333-F337 HydrophobicContact CG-CE2 4.29Å; R333-F337 WeakPolarHBondContact O-CB 3.37Å; R333-F337 VanDerWaalsContact O-CD2 3.22Å; R333-F337 WeakPolarHBondContact O-CD2 3.45Å; R333-F337 PolarHBondContact O-N 2.95Å
334K83.3Confident72.4Confident103 Ų103100 Ų10045%0.44848%0.475SS..Hα-helixtrans-59.6-39175.7-171.8173.7179.7174.40111.8R330 M331 I332 G338R330-K334 PolarHBondContact O-N 3.42Å; R330-K334 VanDerWaalsContact O-N 3.07Å; M331-K334 PolarHBondContact O-N 2.88Å; I332-K334 VanDerWaalsContact C-N 3.31Å; I332-K334 PolarHBondContact O-N 3.09Å; K334-G338 VanDerWaalsContact O-CA 3.22Å; K334-G338 WeakPolarHBondContact O-CA 3.42Å; K334-G338 PolarHBondContact O-N 3.22Å
335F79.3Confident69.6Low95 Ų95109.9 Ų109.942%0.41751%0.512SS..Hα-helixtrans-69.8-37.4177.7-173.1-99000113.6H267 M331 I332 R333 T339H267-F335 HydrophobicContact CB-CE2 4.46Å; H267-F335 HydrophobicContact CB-CZ 4.11Å; H267-F335 AromaticContact CD2-CE2 3.8Å; H267-F335 AromaticContact CD2-CZ 3.96Å; H267-F335 AromaticContact CE1-CE2 3.5Å; H267-F335 VanDerWaalsContact CE1-CE2 3.5Å; H267-F335 WeakPolarHBondContact CE1-CE2 3.43Å; H267-F335 AromaticContact CG-CE2 3.69Å; H267-F335 AromaticContact CG-CZ 3.77Å; H267-F335 AromaticContact ND1-CE2 3.48Å; H267-F335 WeakPolarHBondContact ND1-CE2 3.49Å; H267-F335 AromaticContact NE2-CE2 3.68Å; M331-F335 PolarHBondContact O-N 2.8Å; I332-F335 WeakPolarHBondContact O-CB 3.45Å; I332-F335 PolarHBondContact O-N 3.24Å; I332-F335 VanDerWaalsContact O-N 3.1Å; R333-F335 VanDerWaalsContact C-N 3.27Å; R333-F335 PolarHBondContact O-N 2.91Å; F335-T339 PolarHBondContact O-OG1 3.09Å; F335-T339 VanDerWaalsContact O-OG1 3.07Å
336L77.9Confident66.6Low105 Ų105114.1 Ų114.155%0.5554%0.541SS..Hα-helixtrans-78.5-39-179.4-69.4172.6000113.1I332 R333I332-L336 HydrophobicContact CG2-CD1 3.73Å; I332-L336 HydrophobicContact CG2-CG 4.22Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 3.42Å; R333-L336 PolarHBondContact O-N 2.77Å
337F75.2Confident63.4Low121 Ų121113.5 Ų113.553%0.53155%0.547SS..Hα-helixtrans-97.8-25.2-175.5-64.1-71.4000113.4R333 T339 L340 T341R333-F337 HydrophobicContact CB-CD2 4.17Å; R333-F337 HydrophobicContact CB-CE2 4.48Å; R333-F337 HydrophobicContact CG-CD2 4.48Å; R333-F337 HydrophobicContact CG-CE2 4.29Å; R333-F337 WeakPolarHBondContact O-CB 3.37Å; R333-F337 VanDerWaalsContact O-CD2 3.22Å; R333-F337 WeakPolarHBondContact O-CD2 3.45Å; R333-F337 PolarHBondContact O-N 2.95Å; F337-T339 VanDerWaalsContact C-N 3.25Å; F337-T339 PolarHBondContact O-N 3.38Å; F337-L340 WeakPolarHBondContact O-CB 3.22Å; F337-L340 PolarHBondContact O-N 3.21Å; F337-T341 PolarHBondContact O-N 3.43Å; F337-T341 PolarHBondContact O-OG1 2.94Å
338G58.2Low60.9Low35 Ų35117.8 Ų117.836%0.36157%0.571SS.*THydrogen-bonded Turntrans-71.4-16.2179.800000114.4K334 L340K334-G338 VanDerWaalsContact O-CA 3.22Å; K334-G338 WeakPolarHBondContact O-CA 3.42Å; K334-G338 PolarHBondContact O-N 3.22Å; G338-L340 VanDerWaalsContact C-N 3.3Å
339T47.9Very low58.1Low116 Ų116125.9 Ų125.971%0.71261%0.608SS**THydrogen-bonded Turntrans-75.6-19.5167.11.10000112.7F335 F337F335-T339 PolarHBondContact O-OG1 3.09Å; F335-T339 VanDerWaalsContact O-OG1 3.07Å; F337-T339 VanDerWaalsContact C-N 3.25Å; F337-T339 PolarHBondContact O-N 3.38Å
340L41.4Very low55.2Low137 Ų137126.6 Ų126.672%0.71761%0.613SS**THydrogen-bonded Turntrans-94.9-20.6-176.9-102.4146000113.3F337 G338F337-L340 WeakPolarHBondContact O-CB 3.22Å; F337-L340 PolarHBondContact O-N 3.21Å; G338-L340 VanDerWaalsContact C-N 3.3Å
341T35.8Very low52.5Low106 Ų106126.1 Ų126.165%0.6562%0.616SS**  trans-109.338.1-176.457.20000113F337F337-T341 PolarHBondContact O-N 3.43Å; F337-T341 PolarHBondContact O-OG1 2.94Å
342R40.5Very low49.9Very low233 Ų233131.1 Ų131.188%0.87964%0.639SS**SBendtrans-88.4-8.5166.9-104.9-179.281.81503.5113.5
343D37.3Very low47.2Very low145 Ų145136.1 Ų136.178%0.77566%0.661SS**SBendtrans-115.4136.5165.8-92.5-37.4000108.2
344E36Very low44.7Very low188 Ų188132 Ų13288%0.87965%0.648SS**SBendtrans84.468.8178.1-49.6-166.216400117.7
345R34.5Very low42.3Very low236 Ų236131.8 Ų131.889%0.89165%0.648SS**  73.5116.6122.3-158.1174.4-171.3134.50.3119.5
346S32Very low40Very low97 Ų97129.6 Ų129.668%0.67865%0.645SS**  trans68105.1154.676.10000119.8
347D27.3Very low38Very low126 Ų126128.2 Ų128.267%0.67464%0.644SS**  -163.4114101.1-97.3-19.6000111.8E349D347-E349 VanDerWaalsContact C-N 3.25Å; D347-E349 PolarHBondContact O-N 3.36Å
348N37.4Very low36.1Very low151 Ų151125.8 Ų125.881%0.80764%0.636SS**THydrogen-bonded Turntrans-81.624.1-174-99.6-21.2000114.1
349E34.1Very low34.9Very low185 Ų185128.3 Ų128.386%0.86465%0.645SS**THydrogen-bonded Turntrans-128-11.7-174.2-66.5-170.2176.500115.3D347D347-E349 VanDerWaalsContact C-N 3.25Å; D347-E349 PolarHBondContact O-N 3.36Å
350E30.6Very low34.2Very low132 Ų132128.5 Ų128.562%0.61764%0.638SS**SBendtrans-104.3-9.7173.3-66.5-163.9-176.500114.1E353 Q354E350-E353 PolarHBondContact O-N 2.99Å; E350-Q354 PolarHBondContact O-N 3.3Å; E350-Q354 PolarHBondContact OE2-NE2 3.29Å
351E31.8Very low34Very low106 Ų106125.1 Ų125.150%0.49562%0.62SS.*Hα-helixtrans-72.2-35.1-171.6-66.3-172.9160.700112.4E353 E355E351-E353 VanDerWaalsContact C-N 3.32Å; E351-E353 PolarHBondContact O-N 2.9Å; E351-E355 WeakPolarHBondContact O-CB 3.32Å; E351-E355 VanDerWaalsContact O-CG 3.31Å; E351-E355 WeakPolarHBondContact O-CG 3.47Å; E351-E355 PolarHBondContact O-N 2.95Å
352E33.1Very low33.9Very low157 Ų157123.2 Ų123.273%0.73462%0.621SS**Hα-helixtrans-70.8-23.6178.1-70.1-163.4165.500113.7
353E31.9Very low33.3Very low146 Ų146118.5 Ų118.568%0.68261%0.614SS**Hα-helixtrans-91.7-23-178.1-70.6-162.6163.300113.6K209 E350 E351K209-E353 PolarHBondContact NZ-O 2.92Å; E350-E353 PolarHBondContact O-N 2.99Å; E351-E353 VanDerWaalsContact C-N 3.32Å; E351-E353 PolarHBondContact O-N 2.9Å
354Q32.6Very low32.9Very low51 Ų51118.1 Ų118.124%0.23862%0.616CS.*Hα-helixtrans-105.5-11-177.5-67.8-177.14500115R330 E350R330-Q354 VanDerWaalsContact NH2-CD 3.3Å; E350-Q354 PolarHBondContact O-N 3.3Å; E350-Q354 PolarHBondContact OE2-NE2 3.29Å
355E33.7Very low32.6Very low99 Ų99116.4 Ų116.446%0.46361%0.608SS.*G310 helixtrans-74.7-21.4176.5-81.2-168.3135.100114.2E351 S357 L358 T359E351-E355 WeakPolarHBondContact O-CB 3.32Å; E351-E355 VanDerWaalsContact O-CG 3.31Å; E351-E355 WeakPolarHBondContact O-CG 3.47Å; E351-E355 PolarHBondContact O-N 2.95Å; E355-S357 PolarHBondContact O-N 3.31Å; E355-L358 PolarHBondContact O-N 3.15Å; E355-T359 PolarHBondContact O-N 3.22Å; E355-T359 VanDerWaalsContact O-N 3.17Å; E355-T359 PolarHBondContact O-OG1 3.01Å
356S31Very low32.2Very low50 Ų50114.1 Ų114.135%0.3561%0.608SS.*G310 helixtrans-68.2-6.4-176.962.40000116.2
357S36.1Very low32Very low76 Ų76117.8 Ų117.853%0.53161%0.614SS.*G310 helixtrans-108.6-10.9-179.157.10000115.9E355E355-S357 PolarHBondContact O-N 3.31Å
358L35.1Very low31.9Very low69 Ų69120.6 Ų120.636%0.36162%0.62SS.*THydrogen-bonded Turntrans-146.6-6.6178.2-77.3-179.3000116.1M331 E355M331-L358 HydrophobicContact CE-CD1 4.34Å; M331-L358 HydrophobicContact CG-CD1 3.38Å; M331-L358 HydrophobicContact CG-CG 4.44Å; M331-L358 HydrophobicContact SD-CD1 3.4Å; M331-L358 WeakPolarHBondContact SD-CD1 3.48Å; M331-L358 HydrophobicContact SD-CD2 4.19Å; M331-L358 HydrophobicContact SD-CG 3.85Å; E355-L358 PolarHBondContact O-N 3.15Å
359T33.3Very low31.4Very low88 Ų88119.3 Ų119.354%0.5462%0.62SS.*  trans-133.960-179.646.50000111.7E355E355-T359 PolarHBondContact O-N 3.22Å; E355-T359 VanDerWaalsContact O-N 3.17Å; E355-T359 PolarHBondContact O-OG1 3.01Å
360E32.8Very low31Very low121 Ų121119.8 Ų119.857%0.56562%0.619SS**  trans-125.895156.8-83.7-165.7148.700108.2
361D36.5Very low30.8Very low66 Ų66119.3 Ų119.335%0.35362%0.621SS.*SBend165.261.2120.2-154.714.4000110.1R78 K261R78-D361 IonicContact NH2-OD1 3.21Å; R78-D361 PolarHBondContact NH2-OD1 3.4Å; R78-D361 IonicContact NH2-OD2 3.73Å; K261-D361 WeakPolarHBondContact CE-O 3.48Å; K261-D361 WeakPolarHBondContact CE-OD2 3.4Å; K261-D361 PolarHBondContact NZ-O 2.65Å; K261-D361 IonicContact NZ-OD1 3.38Å; K261-D361 PolarHBondContact NZ-OD1 2.84Å; K261-D361 IonicContact NZ-OD2 2.89Å; K261-D361 PolarHBondContact NZ-OD2 3.4Å
362G34.8Very low30.6Very low65 Ų65121.5 Ų121.567%0.6763%0.631SS**  trans-141.424.3-173.600000115.8
363D28.1Very low30.4Very low134 Ų134120.8 Ų120.872%0.71763%0.632SS**  trans-142.1101.2171.7-139-9.7000113.3
364V29.2Very low30.1Very low137 Ų137119.3 Ų119.383%0.8364%0.638SS**  trans-137.887.8151.9-178.20000105.6Q366V364-Q366 PolarHBondContact O-N 3.43Å
365Q28.7Very low29.9Very low152 Ų152128.1 Ų128.171%0.7167%0.669SS**  trans-54.7127.4162.2-87.3174.9-13.600109.9H367Q365-H367 PolarHBondContact O-N 3.39Å; Q365-H367 VanDerWaalsContact O-N 3.14Å
366Q27.1Very low29.6Very low188 Ų188131.3 Ų131.388%0.87969%0.689SS**  trans-58.9108163.8-80.8175.9-21.900109.3V364V364-Q366 PolarHBondContact O-N 3.43Å
367H26.9Very low29.4Very low174 Ų174134 Ų13481%0.80672%0.715SS**  trans-91.8107.1154.8-102.6-78.2000108.7Q365Q365-H367 PolarHBondContact O-N 3.39Å; Q365-H367 VanDerWaalsContact O-N 3.14Å
368K25.6Very low28.9Very low185 Ų185135.1 Ų135.180%0.80473%0.728SS**PPolyproline II helixtrans-58.5135158-78.6178.7175.4177.50108.2F370K368-F370 PolarHBondContact O-N 2.95Å
369P27Very low28.4Very low124 Ų124136.5 Ų136.581%0.80574%0.743SS**PPolyproline II helixtrans-75.3117.9170.129.2-28.3000108.8
370F24.3Very low28.1Very low195 Ų195140 Ų14086%0.85575%0.754SS**PPolyproline II helixtrans-85.1118.1162.6-173.6-95.5000107.2K368K368-F370 PolarHBondContact O-N 2.95Å
371N27.9Very low27.8Very low123 Ų123142.6 Ų142.666%0.65876%0.763SS**PPolyproline II helixtrans-92.5139.8177.8-12320.5000109.7
372E27.6Very low27.2Very low151 Ų151147 Ų14771%0.70679%0.787SS**  trans66.6150.4151.2-71178.4141.700118.7
373L27.5Very low26.8Very low142 Ų142147.7 Ų147.774%0.74379%0.794SS**  cis-175.2125.8-19.5-175.384.4000101.7
374S26.8Very low26.6Very low115 Ų115147 Ų14780%0.80480%0.798SS**  trans-64.3136.2176.2-56.50000111.4
375R27.7Very low26.4Very low237 Ų237150.2 Ų150.289%0.89480%0.801SS**  trans-158129.8149.2-109.4171.5-175.4-178.31111.1
376D27.4Very low26.2Very low165 Ų165145.8 Ų145.888%0.88280%0.796SS**  trans-64.3150.6179.5-52.9-63.5000113.5
377A27.5Very low26.2Very low108 Ų108145.4 Ų145.489%0.89380%0.799SS**  178149.212900000111.8
378A26Very low26.1Very low98 Ų98142 Ų14281%0.8180%0.795SS**  trans-88.3170.5-167.900000115.5
379S24.5Very low27.2Very low98 Ų98138.7 Ų138.769%0.68579%0.792SS**  trans90.9131143.2-152.40000120.6
380E25.8Very low28.2Very low162 Ų162137.7 Ų137.776%0.75779%0.786SS**  trans85.2105.6142.5-87.2168.1148.100123.2
381K26Very low28.4Very low176 Ų176136.3 Ų136.377%0.76578%0.782SS**  52135.5115.8-80.4-174.2179.5173.80121.7
382N25.8Very low28.5Very low159 Ų159137 Ų13785%0.8579%0.786SS**  trans96.1134.4147-63.2-16.7000118.3
383G25.1Very low28.6Very low79 Ų79136.6 Ų136.681%0.81479%0.794SS**  trans136.288.413800000116.9
384C23.4Very low28.6Very low119 Ų119134.8 Ų134.880%0.80479%0.792SS**  trans-45.2149.7161.7-1620000115.4
385F26.7Very low28.8Very low204 Ų204136.4 Ų136.490%0.89579%0.791SS**  trans156.7115138.8-99.5-81.8000106.2
386G24.3Very low28.9Very low59 Ų59129.1 Ų129.161%0.60878%0.776SS**  cis104.199.737.900000108
387L26.9Very low29.1Very low180 Ų180132 Ų13294%0.94278%0.775SS**  trans161128.3139-85.3154.8000111.9
388S25.1Very low29.3Very low104 Ų104133.8 Ų133.873%0.72777%0.769SS**  trans-136.6176.7167.745.50000106
389P47.2Very low29.6Very low114 Ų114133.7 Ų133.774%0.7476%0.761SS**  cis-123.2-133.5-48.634-12000106.1
390P49Very low29.9Very low103 Ų103136.3 Ų136.367%0.66976%0.762SS**  cis-135.3178.7-20.829.4-5.8000113.9
391E29.1Very low30.3Very low166 Ų166136.1 Ų136.178%0.77676%0.761SS**  165.4123.6119.2-89.1-172.3158.200113
392N28Very low30.7Very low138 Ų138135.4 Ų135.474%0.73877%0.765SS**  trans34.1135.6133-53.8-24.1000118.4
393T30.3Very low31Very low142 Ų142130.9 Ų130.987%0.87176%0.756SS**  -173162.368-43.20000110.9
394C28.8Very low31.4Very low105 Ų105132.9 Ų132.971%0.70976%0.758SS**  trans-87.1179.7-165.4-159.90000115.3
395L30Very low32.3Very low149 Ų149137.6 Ų137.678%0.7878%0.782SS**  trans78.8146.7164-85.692.1000117.9
396S30.2Very low32.6Very low83 Ų83134.3 Ų134.358%0.5878%0.777SS**  cis174.6148.4-19.858.60000107.7
397R32.1Very low33.1Very low226 Ų226138.3 Ų138.385%0.85379%0.785SS**  trans71.3126.2140-80.6-177.3-179.3-168.72122.2
398L31.4Very low33.4Very low146 Ų146135.9 Ų135.976%0.76478%0.777SS**  87122127.3-107.682.4000122.2
399C32.4Very low33.9Very low96 Ų96137.8 Ų137.865%0.64978%0.78SS**  108.4139.1116.4-102.40000122.3
400H30.8Very low33.1Very low153 Ų153139.3 Ų139.371%0.70878%0.782SS**  trans70.4118.8159.1-77.1-76.8000118.3
401E34.3Very low32Very low157 Ų157141.7 Ų141.773%0.73479%0.79SS**  cis82.3138.644.4-152.2-171.7-134.600114.3
402L34.1Very low32.2Very low161 Ų161140 Ų14084%0.84379%0.791SS**  trans95.2137171.1-58162.5000116.6
403G32.4Very low32.5Very low65 Ų65140.2 Ų140.267%0.6780%0.795SS**  cis-166.9148.1500000109.1
404S33.1Very low32.7Very low121 Ų121140 Ų14085%0.84679%0.788SS**  56.69886.7171.60000115
405V43Very low33.1Very low218 Ų218143.2 Ų143.2100%1.32180%0.795SS**  -142.80127.1178.10000108

Retrieved 405 of 405 residues in 521.1 ms (Link to these results)

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