A0A2K5NW91_CERAT Loading...

Protein Smaug homolog 1

AlphaFold DB , UniProt , Accession A0A2K5NW91, Species CERAT (Cercocebus atys, Sooty mangabey), Gene SAMD4A, Length 718 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.2Low81.9Confident167 Ų167107.1 Ų107.182%0.82355%0.553SS**  0135.80-83.1179.4163.600109.2D5 Q6 V9M1-D5 WeakPolarHBondContact CA-OD2 3.48Å; M1-D5 HydrophobicContact CB-CB 3.97Å; M1-D5 HydrophobicContact CE-CB 4.41Å; M1-D5 HydrophobicContact CG-CB 3.76Å; M1-D5 HydrophobicContact SD-CB 4.26Å; M1-Q6 HydrophobicContact CB-CG 4.16Å; M1-Q6 HydrophobicContact SD-CG 4.24Å; M1-V9 HydrophobicContact CE-CG2 4Å
2M82.1Confident82.5Confident143 Ų143102.3 Ų102.370%0.70455%0.55SS*.  trans-75.8163.3160.2-60.2-172.1179.500109.6R4 D5 Q6M2-R4 PolarHBondContact O-N 2.83Å; M2-D5 PolarHBondContact N-OD2 3.27Å; M2-D5 WeakPolarHBondContact O-CB 3.35Å; M2-D5 PolarHBondContact O-N 2.98Å; M2-Q6 PolarHBondContact O-N 3.26Å
3F77.7Confident83.1Confident161 Ų161106.4 Ų106.471%0.70655%0.553SS**Hα-helixtrans-55.7-37.4175.3174.9-113.3000112.4D5 Q6 V7F3-D5 VanDerWaalsContact C-N 3.29Å; F3-D5 PolarHBondContact O-N 3.06Å; F3-Q6 PolarHBondContact O-N 3.32Å; F3-V7 HydrophobicContact CD1-CG2 4.38Å; F3-V7 HydrophobicContact CD2-CG2 4.32Å; F3-V7 HydrophobicContact CE1-CG2 3.94Å; F3-V7 HydrophobicContact CE2-CG2 3.87Å; F3-V7 HydrophobicContact CZ-CG2 3.66Å; F3-V7 WeakPolarHBondContact O-CG2 3.37Å; F3-V7 PolarHBondContact O-N 3.38Å
4R85.2Confident83.6Confident212 Ų212102.9 Ų102.980%0.853%0.531SS*.Hα-helixtrans-53.3-43.4173.4-176.5-178.3178.4-168.4-0.5112.6M2 V7 G8M2-R4 PolarHBondContact O-N 2.83Å; R4-V7 PolarHBondContact O-N 3.01Å; R4-G8 PolarHBondContact O-N 3.38Å
5D85.9Confident84.1Confident64 Ų64108.5 Ų108.534%0.34255%0.55SS.*Hα-helixtrans-68.1-39.8-178.3-40.6-18.8000110.7M1 M2 F3 G8 V9M1-D5 WeakPolarHBondContact CA-OD2 3.48Å; M1-D5 HydrophobicContact CB-CB 3.97Å; M1-D5 HydrophobicContact CE-CB 4.41Å; M1-D5 HydrophobicContact CG-CB 3.76Å; M1-D5 HydrophobicContact SD-CB 4.26Å; M2-D5 PolarHBondContact N-OD2 3.27Å; M2-D5 WeakPolarHBondContact O-CB 3.35Å; M2-D5 PolarHBondContact O-N 2.98Å; F3-D5 VanDerWaalsContact C-N 3.29Å; F3-D5 PolarHBondContact O-N 3.06Å; D5-G8 PolarHBondContact O-N 2.88Å; D5-V9 WeakPolarHBondContact O-CG2 3.48Å; D5-V9 PolarHBondContact O-N 3.04Å
6Q79.9Confident84.3Confident101 Ų101105.8 Ų105.847%0.47256%0.558SS.*Hα-helixtrans-65.5-42.6178.4-63.5176.9-38.900111.4M1 M2 F3 G8 V9 L10M1-Q6 HydrophobicContact CB-CG 4.16Å; M1-Q6 HydrophobicContact SD-CG 4.24Å; M2-Q6 PolarHBondContact O-N 3.26Å; F3-Q6 PolarHBondContact O-N 3.32Å; Q6-G8 VanDerWaalsContact C-N 3.33Å; Q6-V9 PolarHBondContact O-N 3.4Å; Q6-L10 WeakPolarHBondContact O-CG 3.34Å; Q6-L10 PolarHBondContact O-N 3.35Å; Q6-L10 VanDerWaalsContact O-N 3.07Å
7V84.9Confident84.7Confident68 Ų68105.9 Ų105.941%0.41255%0.549SS..Hα-helixtrans-63.4-40172.4174.80000110.9F3 R4 L10 A11F3-V7 HydrophobicContact CD1-CG2 4.38Å; F3-V7 HydrophobicContact CD2-CG2 4.32Å; F3-V7 HydrophobicContact CE1-CG2 3.94Å; F3-V7 HydrophobicContact CE2-CG2 3.87Å; F3-V7 HydrophobicContact CZ-CG2 3.66Å; F3-V7 WeakPolarHBondContact O-CG2 3.37Å; F3-V7 PolarHBondContact O-N 3.38Å; R4-V7 PolarHBondContact O-N 3.01Å; V7-L10 PolarHBondContact O-N 3.36Å; V7-A11 WeakPolarHBondContact O-CB 3.49Å; V7-A11 PolarHBondContact O-N 2.73Å
8G86Confident85Confident45 Ų45102.4 Ų102.446%0.46453%0.531SS..Hα-helixtrans-61-43.3175.700000113.6R4 D5 Q6 G12R4-G8 PolarHBondContact O-N 3.38Å; D5-G8 PolarHBondContact O-N 2.88Å; Q6-G8 VanDerWaalsContact C-N 3.33Å; G8-G12 PolarHBondContact O-N 2.93Å
9V89.4Confident85.2Confident56 Ų56104.9 Ų104.934%0.33954%0.54SS..Hα-helixtrans-64.4-46175171.90000111.2M1 D5 Q6 A11 G12 W13M1-V9 HydrophobicContact CE-CG2 4Å; D5-V9 WeakPolarHBondContact O-CG2 3.48Å; D5-V9 PolarHBondContact O-N 3.04Å; Q6-V9 PolarHBondContact O-N 3.4Å; V9-A11 PolarHBondContact O-N 3.09Å; V9-G12 PolarHBondContact O-N 3.33Å; V9-W13 HydrophobicContact CG1-CD2 4.11Å; V9-W13 HydrophobicContact CG1-CE3 4.48Å; V9-W13 HydrophobicContact CG1-CH2 3.99Å; V9-W13 HydrophobicContact CG1-CZ2 3.56Å; V9-W13 HydrophobicContact CG1-CZ3 4.42Å; V9-W13 PolarHBondContact O-N 2.7Å
10L86Confident85.5Confident103 Ų10399.9 Ų99.954%0.53951%0.514SS..Hα-helixtrans-61.7-43.8178.1-75166.8000112.2Q6 V7 G12 W13 F14Q6-L10 WeakPolarHBondContact O-CG 3.34Å; Q6-L10 PolarHBondContact O-N 3.35Å; Q6-L10 VanDerWaalsContact O-N 3.07Å; V7-L10 PolarHBondContact O-N 3.36Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-G12 PolarHBondContact O-N 3.48Å; L10-W13 HydrophobicContact CD2-CE3 4.04Å; L10-W13 HydrophobicContact CD2-CZ3 4.14Å; L10-W13 PolarHBondContact O-N 3.46Å; L10-F14 VanDerWaalsContact O-CB 3.32Å; L10-F14 WeakPolarHBondContact O-CB 3.39Å; L10-F14 PolarHBondContact O-N 3.11Å
11A86.3Confident85.8Confident58 Ų5898.1 Ų98.148%0.47950%0.504SS..Hα-helixtrans-64.6-35.4175.300000112.3V7 V9 F14 K15V7-A11 WeakPolarHBondContact O-CB 3.49Å; V7-A11 PolarHBondContact O-N 2.73Å; V9-A11 PolarHBondContact O-N 3.09Å; A11-F14 PolarHBondContact O-N 3.49Å; A11-K15 WeakPolarHBondContact O-CB 3.38Å; A11-K15 PolarHBondContact O-N 3.44Å
12G89.9Confident87.4Confident50 Ų5092.7 Ų92.752%0.51548%0.476SS..Hα-helixtrans-62.8-43.7173.800000113G8 V9 L10G8-G12 PolarHBondContact O-N 2.93Å; V9-G12 PolarHBondContact O-N 3.33Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-G12 PolarHBondContact O-N 3.48Å
13W89.3Confident87.9Confident155 Ų15588.7 Ų88.759%0.58746%0.46SS*.Hα-helixtrans-67-45173.4-63.6-20.5000112.1V9 L10 K15 G16 W17V9-W13 HydrophobicContact CG1-CD2 4.11Å; V9-W13 HydrophobicContact CG1-CE3 4.48Å; V9-W13 HydrophobicContact CG1-CH2 3.99Å; V9-W13 HydrophobicContact CG1-CZ2 3.56Å; V9-W13 HydrophobicContact CG1-CZ3 4.42Å; V9-W13 PolarHBondContact O-N 2.7Å; L10-W13 HydrophobicContact CD2-CE3 4.04Å; L10-W13 HydrophobicContact CD2-CZ3 4.14Å; L10-W13 PolarHBondContact O-N 3.46Å; W13-K15 VanDerWaalsContact C-N 3.3Å; W13-K15 PolarHBondContact O-N 3.39Å; W13-G16 WeakPolarHBondContact O-CA 3.47Å; W13-G16 PolarHBondContact O-N 3.02Å; W13-W17 HydrophobicContact CB-CZ2 4.35Å
14F90.6Very high88.6Confident58 Ų5883.4 Ų83.425%0.25444%0.441SS..Hα-helixtrans-60.3-38.8-177.5-165.3-98.3000112.6L10 A11 G16 W17 Q22 L26L10-F14 VanDerWaalsContact O-CB 3.32Å; L10-F14 WeakPolarHBondContact O-CB 3.39Å; L10-F14 PolarHBondContact O-N 3.11Å; A11-F14 PolarHBondContact O-N 3.49Å; F14-G16 PolarHBondContact O-N 3.39Å; F14-W17 AromaticContact CD2-CE3 3.72Å; F14-W17 HydrophobicContact CD2-CE3 3.72Å; F14-W17 AromaticContact CD2-CZ3 3.78Å; F14-W17 HydrophobicContact CD2-CZ3 3.78Å; F14-W17 HydrophobicContact CE2-CE3 4.31Å; F14-W17 HydrophobicContact CE2-CZ3 4.44Å; F14-W17 HydrophobicContact CG-CE3 4.47Å; F14-W17 PolarHBondContact O-N 2.94Å; F14-Q22 HydrophobicContact CD1-CG 4.09Å; F14-Q22 HydrophobicContact CD2-CG 4.27Å; F14-Q22 HydrophobicContact CE1-CB 4Å; F14-Q22 HydrophobicContact CE1-CG 3.7Å; F14-Q22 HydrophobicContact CE2-CB 3.83Å; F14-Q22 HydrophobicContact CE2-CG 3.9Å; F14-Q22 HydrophobicContact CG-CG 4.36Å; F14-Q22 HydrophobicContact CZ-CB 3.45Å; F14-Q22 VanDerWaalsContact CZ-CB 3.45Å; F14-Q22 HydrophobicContact CZ-CG 3.59Å; F14-L26 HydrophobicContact CE2-CD1 4.37Å; F14-L26 HydrophobicContact CE2-CD2 4.07Å; F14-L26 HydrophobicContact CE2-CG 3.81Å; F14-L26 HydrophobicContact CZ-CD1 3.73Å; F14-L26 HydrophobicContact CZ-CD2 4.07Å; F14-L26 HydrophobicContact CZ-CG 3.69Å
15K90.6Very high88.8Confident187 Ų18774.2 Ų74.281%0.81341%0.41SS*.THydrogen-bonded Turntrans-65.4-18173.9-175.7171.5179179.30113.7A11 W13A11-K15 WeakPolarHBondContact O-CB 3.38Å; A11-K15 PolarHBondContact O-N 3.44Å; W13-K15 VanDerWaalsContact C-N 3.3Å; W13-K15 PolarHBondContact O-N 3.39Å
16G88.6Confident89.1Confident65 Ų6575.3 Ų75.367%0.6742%0.416SS*.THydrogen-bonded Turntrans-90.8-2.4177.100000115W13 F14W13-G16 WeakPolarHBondContact O-CA 3.47Å; W13-G16 PolarHBondContact O-N 3.02Å; F14-G16 PolarHBondContact O-N 3.39Å
17W90.3Very high89.6Confident108 Ų10873.1 Ų73.141%0.40941%0.407SS..SBendtrans-99.4151.6179.8-63.2-21.2000111.6W13 F14 E21 Q22 A25W13-W17 HydrophobicContact CB-CZ2 4.35Å; F14-W17 AromaticContact CD2-CE3 3.72Å; F14-W17 HydrophobicContact CD2-CE3 3.72Å; F14-W17 AromaticContact CD2-CZ3 3.78Å; F14-W17 HydrophobicContact CD2-CZ3 3.78Å; F14-W17 HydrophobicContact CE2-CE3 4.31Å; F14-W17 HydrophobicContact CE2-CZ3 4.44Å; F14-W17 HydrophobicContact CG-CE3 4.47Å; F14-W17 PolarHBondContact O-N 2.94Å; W17-E21 HydrophobicContact CB-CB 3.93Å; W17-E21 HydrophobicContact CG-CB 4.47Å; W17-Q22 HydrophobicContact CB-CG 3.95Å; W17-Q22 PolarHBondContact O-NE2 2.94Å; W17-A25 HydrophobicContact CE3-CB 4.01Å; W17-A25 HydrophobicContact CH2-CB 4.36Å; W17-A25 HydrophobicContact CZ3-CB 3.5Å; W17-A25 VanDerWaalsContact CZ3-CB 3.5Å
18N89.9Confident89.8Confident43 Ų4372.7 Ų72.723%0.2341%0.407CS..  trans-72.9165.6172.772.149000111.7C20 E21 Q22 E120 Q124N18-C20 PolarHBondContact O-N 3.1Å; N18-C20 WeakPolarHBondContact OD1-CA 3.31Å; N18-C20 WeakPolarHBondContact OD1-CB 3.37Å; N18-C20 PolarHBondContact OD1-N 3.4Å; N18-C20 VanDerWaalsContact OD1-N 3.09Å; N18-E21 PolarHBondContact N-OE2 2.91Å; N18-E21 PolarHBondContact ND2-OE1 3.47Å; N18-E21 PolarHBondContact ND2-OE2 3Å; N18-E21 PolarHBondContact O-N 2.83Å; N18-E21 VanDerWaalsContact O-N 3.12Å; N18-E21 WeakPolarHBondContact OD1-CG 3.45Å; N18-E21 PolarHBondContact OD1-N 3.09Å; N18-Q22 WeakPolarHBondContact O-CB 3.44Å; N18-Q22 WeakPolarHBondContact O-CG 3.34Å; N18-Q22 PolarHBondContact O-N 3.14Å; N18-E120 PolarHBondContact ND2-OE1 2.89Å; N18-Q124 PolarHBondContact ND2-NE2 3.42Å
19E88.6Confident90.1Very high150 Ų15075.4 Ų75.470%0.70141%0.411SS*.Hα-helixtrans-60.8-32.1-174.2-61.5-176.2166.900113.3T23E19-T23 WeakPolarHBondContact O-CB 3.42Å; E19-T23 PolarHBondContact O-N 2.79Å; E19-T23 PolarHBondContact O-OG1 2.66Å
20C91.8Very high90.1Very high3 Ų376 Ų762%0.0241%0.412CS..Hα-helixtrans-69.2-45.8175-170.40000111.3N18 T23 V24 Q124 Y128N18-C20 PolarHBondContact O-N 3.1Å; N18-C20 WeakPolarHBondContact OD1-CA 3.31Å; N18-C20 WeakPolarHBondContact OD1-CB 3.37Å; N18-C20 PolarHBondContact OD1-N 3.4Å; N18-C20 VanDerWaalsContact OD1-N 3.09Å; C20-T23 WeakPolarHBondContact O-CB 3.46Å; C20-T23 PolarHBondContact O-N 3.1Å; C20-V24 WeakPolarHBondContact O-CB 3.42Å; C20-V24 VanDerWaalsContact O-CG2 3.29Å; C20-V24 WeakPolarHBondContact O-CG2 3.46Å; C20-V24 PolarHBondContact O-N 3.16Å; C20-Q124 HydrophobicContact CB-CB 3.96Å; C20-Q124 HydrophobicContact CB-CG 3.8Å; C20-Y128 WeakPolarHBondContact CA-OH 3.36Å; C20-Y128 HydrophobicContact CB-CD2 4.36Å; C20-Y128 HydrophobicContact CB-CE1 4.45Å; C20-Y128 HydrophobicContact CB-CE2 3.68Å; C20-Y128 PolarHBondContact N-OH 3.02Å
21E90.9Very high90.2Very high64 Ų6478.5 Ų78.530%0.29942%0.418SS..Hα-helixtrans-65-41.9176.7-72.3168.6168.400112W17 N18 T23 V24 A25 R123W17-E21 HydrophobicContact CB-CB 3.93Å; W17-E21 HydrophobicContact CG-CB 4.47Å; N18-E21 PolarHBondContact N-OE2 2.91Å; N18-E21 PolarHBondContact ND2-OE1 3.47Å; N18-E21 PolarHBondContact ND2-OE2 3Å; N18-E21 PolarHBondContact O-N 2.83Å; N18-E21 VanDerWaalsContact O-N 3.12Å; N18-E21 WeakPolarHBondContact OD1-CG 3.45Å; N18-E21 PolarHBondContact OD1-N 3.09Å; E21-T23 VanDerWaalsContact C-N 3.34Å; E21-T23 PolarHBondContact O-N 3.37Å; E21-V24 PolarHBondContact O-N 3.13Å; E21-A25 VanDerWaalsContact O-CB 3.23Å; E21-A25 WeakPolarHBondContact O-CB 3.37Å; E21-A25 PolarHBondContact O-N 3Å; E21-R123 IonicContact OE1-CZ 3.58Å; E21-R123 IonicContact OE1-NH1 2.7Å; E21-R123 IonicContact OE1-NH2 3.48Å; E21-R123 PolarHBondContact OE1-NH2 3.4Å
22Q92.4Very high90.5Very high53 Ų5385.7 Ų85.725%0.24843%0.433CS..Hα-helixtrans-55.9-47.3169.6-74.5-177.741.500111.1F14 W17 N18 A25 L26F14-Q22 HydrophobicContact CD1-CG 4.09Å; F14-Q22 HydrophobicContact CD2-CG 4.27Å; F14-Q22 HydrophobicContact CE1-CB 4Å; F14-Q22 HydrophobicContact CE1-CG 3.7Å; F14-Q22 HydrophobicContact CE2-CB 3.83Å; F14-Q22 HydrophobicContact CE2-CG 3.9Å; F14-Q22 HydrophobicContact CG-CG 4.36Å; F14-Q22 HydrophobicContact CZ-CB 3.45Å; F14-Q22 VanDerWaalsContact CZ-CB 3.45Å; F14-Q22 HydrophobicContact CZ-CG 3.59Å; W17-Q22 HydrophobicContact CB-CG 3.95Å; W17-Q22 PolarHBondContact O-NE2 2.94Å; N18-Q22 WeakPolarHBondContact O-CB 3.44Å; N18-Q22 WeakPolarHBondContact O-CG 3.34Å; N18-Q22 PolarHBondContact O-N 3.14Å; Q22-A25 PolarHBondContact O-N 2.95Å; Q22-L26 WeakPolarHBondContact O-CB 3.39Å; Q22-L26 WeakPolarHBondContact O-CG 3.49Å; Q22-L26 PolarHBondContact O-N 3.31Å
23T92.1Very high90.6Very high59 Ų5985.8 Ų85.836%0.36242%0.423SS..Hα-helixtrans-64.2-46.6178.5-57.50000112.1E19 C20 E21 A25 L26 L27 Y128 I131E19-T23 WeakPolarHBondContact O-CB 3.42Å; E19-T23 PolarHBondContact O-N 2.79Å; E19-T23 PolarHBondContact O-OG1 2.66Å; C20-T23 WeakPolarHBondContact O-CB 3.46Å; C20-T23 PolarHBondContact O-N 3.1Å; E21-T23 VanDerWaalsContact C-N 3.34Å; E21-T23 PolarHBondContact O-N 3.37Å; T23-A25 VanDerWaalsContact C-N 3.34Å; T23-A25 PolarHBondContact O-N 3.01Å; T23-L26 PolarHBondContact O-N 2.84Å; T23-L27 VanDerWaalsContact O-CB 3.32Å; T23-L27 WeakPolarHBondContact O-CB 3.28Å; T23-L27 PolarHBondContact O-N 2.93Å; T23-Y128 HydrophobicContact CG2-CE1 4.05Å; T23-I131 HydrophobicContact CG2-CD1 4.33Å
24V91.4Very high90.8Very high49 Ų4980.4 Ų80.430%0.29741%0.409SS..Hα-helixtrans-61.1-42.3177.2169.50000111C20 E21 S28 I131C20-V24 WeakPolarHBondContact O-CB 3.42Å; C20-V24 VanDerWaalsContact O-CG2 3.29Å; C20-V24 WeakPolarHBondContact O-CG2 3.46Å; C20-V24 PolarHBondContact O-N 3.16Å; E21-V24 PolarHBondContact O-N 3.13Å; V24-S28 VanDerWaalsContact O-CB 3.3Å; V24-S28 WeakPolarHBondContact O-CB 3.42Å; V24-S28 PolarHBondContact O-N 3.44Å; V24-S28 PolarHBondContact O-OG 2.78Å; V24-I131 HydrophobicContact CG2-CD1 3.87Å
25A90.9Very high90.9Very high20 Ų2084.1 Ų84.117%0.16543%0.427CS..Hα-helixtrans-67.3-47.2177.400000111.9W17 E21 Q22 T23 L27 S28 L29W17-A25 HydrophobicContact CE3-CB 4.01Å; W17-A25 HydrophobicContact CH2-CB 4.36Å; W17-A25 HydrophobicContact CZ3-CB 3.5Å; W17-A25 VanDerWaalsContact CZ3-CB 3.5Å; E21-A25 VanDerWaalsContact O-CB 3.23Å; E21-A25 WeakPolarHBondContact O-CB 3.37Å; E21-A25 PolarHBondContact O-N 3Å; Q22-A25 PolarHBondContact O-N 2.95Å; T23-A25 VanDerWaalsContact C-N 3.34Å; T23-A25 PolarHBondContact O-N 3.01Å; A25-L27 PolarHBondContact O-N 3.14Å; A25-S28 PolarHBondContact O-N 3.25Å; A25-L29 WeakPolarHBondContact O-CG 3.38Å; A25-L29 PolarHBondContact O-N 3.32Å
26L91.5Very high91Very high87 Ų8779 Ų7946%0.45541%0.412SS..Hα-helixtrans-59.4-46175.6-75.3178.2000111.6F14 Q22 T23 S28 L29 L30F14-L26 HydrophobicContact CE2-CD1 4.37Å; F14-L26 HydrophobicContact CE2-CD2 4.07Å; F14-L26 HydrophobicContact CE2-CG 3.81Å; F14-L26 HydrophobicContact CZ-CD1 3.73Å; F14-L26 HydrophobicContact CZ-CD2 4.07Å; F14-L26 HydrophobicContact CZ-CG 3.69Å; Q22-L26 WeakPolarHBondContact O-CB 3.39Å; Q22-L26 WeakPolarHBondContact O-CG 3.49Å; Q22-L26 PolarHBondContact O-N 3.31Å; T23-L26 PolarHBondContact O-N 2.84Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 2.82Å; L26-L29 PolarHBondContact O-N 3.18Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.18Å
27L90.5Very high91.1Very high54 Ų5480.8 Ų80.828%0.28340%0.403SS..Hα-helixtrans-61.7-37176.5-176.562.9000112T23 A25 L30 K31 I131T23-L27 VanDerWaalsContact O-CB 3.32Å; T23-L27 WeakPolarHBondContact O-CB 3.28Å; T23-L27 PolarHBondContact O-N 2.93Å; A25-L27 PolarHBondContact O-N 3.14Å; L27-L30 PolarHBondContact O-N 3.2Å; L27-K31 VanDerWaalsContact O-CG 3.31Å; L27-K31 WeakPolarHBondContact O-CG 3.18Å; L27-K31 PolarHBondContact O-N 2.79Å; L27-K31 VanDerWaalsContact O-N 3.08Å; L27-I131 HydrophobicContact CD2-CB 3.76Å; L27-I131 HydrophobicContact CD2-CD1 3.98Å; L27-I131 HydrophobicContact CD2-CG1 4.15Å; L27-I131 HydrophobicContact CD2-CG2 4.35Å
28S89.4Confident91.2Very high60 Ų6077.1 Ų77.142%0.4240%0.395SS..Hα-helixtrans-70.9-29.1176.6-59.90000113V24 A25 L26V24-S28 VanDerWaalsContact O-CB 3.3Å; V24-S28 WeakPolarHBondContact O-CB 3.42Å; V24-S28 PolarHBondContact O-N 3.44Å; V24-S28 PolarHBondContact O-OG 2.78Å; A25-S28 PolarHBondContact O-N 3.25Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 2.82Å
29L90.8Very high91.3Very high102 Ų10280.8 Ų80.853%0.53441%0.406SS..Hα-helixtrans-78.3-40.7171.5-68.3171.5000111.9A25 L26 K31 R32 V33A25-L29 WeakPolarHBondContact O-CG 3.38Å; A25-L29 PolarHBondContact O-N 3.32Å; L26-L29 PolarHBondContact O-N 3.18Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.96Å; L29-R32 WeakPolarHBondContact O-CA 3.43Å; L29-R32 WeakPolarHBondContact O-CB 3.45Å; L29-R32 PolarHBondContact O-N 3.45Å; L29-V33 PolarHBondContact O-N 3.39Å
30L90.6Very high91.6Very high69 Ų6980 Ų8036%0.36140%0.4SS..Hα-helixtrans-60.4-37176.1-76.7166.8000112.1L26 L27 R32 V33 L41L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.18Å; L27-L30 PolarHBondContact O-N 3.2Å; L30-R32 PolarHBondContact O-N 2.94Å; L30-V33 HydrophobicContact CD2-CG2 4.49Å; L30-V33 WeakPolarHBondContact O-CG2 3.37Å; L30-V33 PolarHBondContact O-N 3.19Å; L30-L41 HydrophobicContact CD2-CD1 3.72Å
31K88.7Confident91.7Very high154 Ų15482.9 Ų82.967%0.6742%0.415SS*.THydrogen-bonded Turntrans-60.6-7.6170.6-75170.1-179175.70114.5L27 L29L27-K31 VanDerWaalsContact O-CG 3.31Å; L27-K31 WeakPolarHBondContact O-CG 3.18Å; L27-K31 PolarHBondContact O-N 2.79Å; L27-K31 VanDerWaalsContact O-N 3.08Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.96Å
32R92.1Very high91.7Very high209 Ų20983.8 Ų83.879%0.78942%0.419SS*.THydrogen-bonded Turntrans-117.1-6.5-177.3-58.9175.965.8173.12.2114.3L29 L30L29-R32 WeakPolarHBondContact O-CA 3.43Å; L29-R32 WeakPolarHBondContact O-CB 3.45Å; L29-R32 PolarHBondContact O-N 3.45Å; L30-R32 PolarHBondContact O-N 2.94Å
33V92.2Very high91.7Very high52 Ų5285.3 Ų85.332%0.31543%0.429SS..SBendtrans-84.7161.6175-52.40000111.3L29 L30 Q37 A38L29-V33 PolarHBondContact O-N 3.39Å; L30-V33 HydrophobicContact CD2-CG2 4.49Å; L30-V33 WeakPolarHBondContact O-CG2 3.37Å; L30-V33 PolarHBondContact O-N 3.19Å; V33-Q37 HydrophobicContact CB-CB 3.93Å; V33-Q37 HydrophobicContact CG2-CB 4.06Å; V33-A38 HydrophobicContact CG2-CB 4Å
34S93.6Very high91.7Very high43 Ų4385.2 Ų85.230%0.30143%0.43SS..  trans-71.7156.5174640000112.2T36 Q37 A38S34-T36 PolarHBondContact O-N 3.45Å; S34-T36 VanDerWaalsContact O-N 3.16Å; S34-Q37 CarbonylContact O-C 3.57Å; S34-Q37 WeakPolarHBondContact O-CA 3.4Å; S34-Q37 WeakPolarHBondContact O-CB 3.31Å; S34-Q37 PolarHBondContact O-N 2.95Å; S34-Q37 VanDerWaalsContact OG-CD 3.3Å; S34-Q37 WeakPolarHBondContact OG-CG 3.38Å; S34-Q37 PolarHBondContact OG-N 3.2Å; S34-Q37 PolarHBondContact OG-OE1 3.42Å; S34-A38 PolarHBondContact O-N 3.31Å
35Q92.6Very high91.6Very high136 Ų13687.3 Ų87.364%0.63644%0.439SS*.Hα-helixtrans-55.1-36.2178.9-165.766.313.700112.8A38 R39 A630Q35-A38 PolarHBondContact O-N 3.33Å; Q35-R39 WeakPolarHBondContact O-CB 3.29Å; Q35-R39 PolarHBondContact O-N 3.27Å; Q35-A630 HydrophobicContact CG-CB 4.02Å
36T92.2Very high91.6Very high78 Ų7890.9 Ų90.948%0.47945%0.452SS..Hα-helixtrans-65-42.1175.8-43.10000111.9S34 F40S34-T36 PolarHBondContact O-N 3.45Å; S34-T36 VanDerWaalsContact O-N 3.16Å; T36-F40 WeakPolarHBondContact O-CB 3.45Å; T36-F40 PolarHBondContact O-N 3.41Å
37Q91.3Very high91.5Very high104 Ų10493.8 Ų93.849%0.48646%0.463SS..Hα-helixtrans-69.3-39.9175-71.5164.2-51.500111.6V33 S34 F40 L41V33-Q37 HydrophobicContact CB-CB 3.93Å; V33-Q37 HydrophobicContact CG2-CB 4.06Å; S34-Q37 CarbonylContact O-C 3.57Å; S34-Q37 WeakPolarHBondContact O-CA 3.4Å; S34-Q37 WeakPolarHBondContact O-CB 3.31Å; S34-Q37 PolarHBondContact O-N 2.95Å; S34-Q37 VanDerWaalsContact OG-CD 3.3Å; S34-Q37 WeakPolarHBondContact OG-CG 3.38Å; S34-Q37 PolarHBondContact OG-N 3.2Å; S34-Q37 PolarHBondContact OG-OE1 3.42Å; Q37-F40 PolarHBondContact O-N 3.45Å; Q37-L41 WeakPolarHBondContact O-CB 3.27Å; Q37-L41 VanDerWaalsContact O-CG 3.29Å; Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 3.43Å
38A91.3Very high91.3Very high30 Ų3094.7 Ų94.725%0.24847%0.474CS..Hα-helixtrans-60.9-44.5174.900000111.4V33 S34 Q35 L41 Q42V33-A38 HydrophobicContact CG2-CB 4Å; S34-A38 PolarHBondContact O-N 3.31Å; Q35-A38 PolarHBondContact O-N 3.33Å; A38-L41 PolarHBondContact O-N 3.22Å; A38-Q42 WeakPolarHBondContact O-CB 3.28Å; A38-Q42 PolarHBondContact O-N 2.85Å
39R93.2Very high91.2Very high121 Ų12195.6 Ų95.646%0.45747%0.474SS..Hα-helixtrans-68.1-34.4176.7-174.658.3-179.3156.29.8112.8Q35 L43 E46Q35-R39 WeakPolarHBondContact O-CB 3.29Å; Q35-R39 PolarHBondContact O-N 3.27Å; R39-L43 WeakPolarHBondContact O-CG 3.23Å; R39-L43 PolarHBondContact O-N 2.71Å; R39-L43 VanDerWaalsContact O-N 3.11Å; R39-E46 IonicContact NH1-OE1 2.72Å; R39-E46 IonicContact NH1-OE2 2.6Å
40F94Very high90.8Very high132 Ų13293.5 Ų93.558%0.57947%0.471SS*.Hα-helixtrans-65.1-47.9172173.1-99.4000111.9T36 Q37 Q42 L43 C44T36-F40 WeakPolarHBondContact O-CB 3.45Å; T36-F40 PolarHBondContact O-N 3.41Å; Q37-F40 PolarHBondContact O-N 3.45Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.37Å; F40-L43 PolarHBondContact O-N 3.36Å; F40-C44 VanDerWaalsContact CZ-SG 3.57Å; F40-C44 PolarHBondContact O-N 3.11Å; F40-C44 PolarHBondContact O-SG 3.33Å
41L93.1Very high90.2Very high65 Ų6597.4 Ų97.434%0.3449%0.492SS..Hα-helixtrans-62.6-39.3177-71.3169.3000111.6L30 Q37 A38 C44 L45L30-L41 HydrophobicContact CD2-CD1 3.72Å; Q37-L41 WeakPolarHBondContact O-CB 3.27Å; Q37-L41 VanDerWaalsContact O-CG 3.29Å; Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 3.43Å; A38-L41 PolarHBondContact O-N 3.22Å; L41-C44 PolarHBondContact O-N 3.42Å; L41-L45 WeakPolarHBondContact O-CB 3.43Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 3.04Å
42Q92.3Very high90Very high82 Ų8292.6 Ų92.638%0.38348%0.478SS..Hα-helixtrans-56.8-50172.5-179.6-178.19.600111.5A38 F40 C44 L45 E46A38-Q42 WeakPolarHBondContact O-CB 3.28Å; A38-Q42 PolarHBondContact O-N 2.85Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.37Å; Q42-C44 VanDerWaalsContact C-N 3.32Å; Q42-C44 PolarHBondContact O-N 3.41Å; Q42-L45 PolarHBondContact O-N 3.26Å; Q42-E46 HydrophobicContact CG-CG 4.2Å; Q42-E46 VanDerWaalsContact CG-OE1 3.26Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.41Å; Q42-E46 PolarHBondContact NE2-OE1 3.02Å; Q42-E46 WeakPolarHBondContact O-CB 3.25Å; Q42-E46 VanDerWaalsContact O-CG 3.31Å; Q42-E46 WeakPolarHBondContact O-CG 3.39Å; Q42-E46 PolarHBondContact O-N 3.37Å
43L91.5Very high89.8Confident86 Ų8686.1 Ų86.145%0.4547%0.469SS..Hα-helixtrans-63.2-37178.9-71.2167.2000112.5R39 F40 H47R39-L43 WeakPolarHBondContact O-CG 3.23Å; R39-L43 PolarHBondContact O-N 2.71Å; R39-L43 VanDerWaalsContact O-N 3.11Å; F40-L43 PolarHBondContact O-N 3.36Å; L43-H47 WeakPolarHBondContact O-CB 3.45Å; L43-H47 PolarHBondContact O-N 3.33Å
44C91.6Very high89.6Confident56 Ų5691 Ų9138%0.37849%0.488SS..Hα-helixtrans-65.3-41.9174.4-62.80000111.8F40 L41 Q42 S48F40-C44 VanDerWaalsContact CZ-SG 3.57Å; F40-C44 PolarHBondContact O-N 3.11Å; F40-C44 PolarHBondContact O-SG 3.33Å; L41-C44 PolarHBondContact O-N 3.42Å; Q42-C44 VanDerWaalsContact C-N 3.32Å; Q42-C44 PolarHBondContact O-N 3.41Å; C44-S48 WeakPolarHBondContact O-CB 3.5Å; C44-S48 PolarHBondContact O-N 3.42Å; C44-S48 PolarHBondContact O-OG 2.94Å
45L90.5Very high89.3Confident94 Ų9491.5 Ų91.549%0.49249%0.487SS..Hα-helixtrans-67.8-49.8177.5-71.5168000111.3L41 Q42 H47 S48 L49L41-L45 WeakPolarHBondContact O-CB 3.43Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 3.04Å; Q42-L45 PolarHBondContact O-N 3.26Å; L45-H47 VanDerWaalsContact C-N 3.26Å; L45-H47 PolarHBondContact O-N 3.21Å; L45-S48 WeakPolarHBondContact CA-OG 3.47Å; L45-S48 PolarHBondContact O-N 3.01Å; L45-S48 PolarHBondContact O-OG 2.8Å; L45-L49 VanDerWaalsContact O-CG 3.3Å; L45-L49 WeakPolarHBondContact O-CG 3.04Å; L45-L49 PolarHBondContact O-N 3.08Å
46E89.9Confident89.2Confident94 Ų9489.1 Ų89.144%0.43948%0.476SS..Hα-helixtrans-52.8-43.4174.9-75.3170.5174.300111.4R39 Q42 A50R39-E46 IonicContact NH1-OE1 2.72Å; R39-E46 IonicContact NH1-OE2 2.6Å; Q42-E46 HydrophobicContact CG-CG 4.2Å; Q42-E46 VanDerWaalsContact CG-OE1 3.26Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.41Å; Q42-E46 PolarHBondContact NE2-OE1 3.02Å; Q42-E46 WeakPolarHBondContact O-CB 3.25Å; Q42-E46 VanDerWaalsContact O-CG 3.31Å; Q42-E46 WeakPolarHBondContact O-CG 3.39Å; Q42-E46 PolarHBondContact O-N 3.37Å; E46-A50 PolarHBondContact O-N 3.1Å
47H89.7Confident89.2Confident148 Ų14888.1 Ų88.169%0.68547%0.469SS*.Hα-helixtrans-67.3-43.5175-176.627.6000112.8L43 L45 L49 A50L43-H47 WeakPolarHBondContact O-CB 3.45Å; L43-H47 PolarHBondContact O-N 3.33Å; L45-H47 VanDerWaalsContact C-N 3.26Å; L45-H47 PolarHBondContact O-N 3.21Å; H47-L49 VanDerWaalsContact C-N 3.26Å; H47-L49 PolarHBondContact O-N 2.94Å; H47-A50 PolarHBondContact O-N 3.19Å
48S86.9Confident89.2Confident74 Ų7485.2 Ų85.252%0.51746%0.457SS..Hα-helixtrans-69.2-18.9-178.6690000114.9C44 L45C44-S48 WeakPolarHBondContact O-CB 3.5Å; C44-S48 PolarHBondContact O-N 3.42Å; C44-S48 PolarHBondContact O-OG 2.94Å; L45-S48 WeakPolarHBondContact CA-OG 3.47Å; L45-S48 PolarHBondContact O-N 3.01Å; L45-S48 PolarHBondContact O-OG 2.8Å
49L87.3Confident89.2Confident79 Ų7986.6 Ų86.641%0.41446%0.458SS..Hα-helixtrans-101.5-7.1-178.9-62.6175.1000113.4L45 H47 D51 C52 L55L45-L49 VanDerWaalsContact O-CG 3.3Å; L45-L49 WeakPolarHBondContact O-CG 3.04Å; L45-L49 PolarHBondContact O-N 3.08Å; H47-L49 VanDerWaalsContact C-N 3.26Å; H47-L49 PolarHBondContact O-N 2.94Å; L49-D51 PolarHBondContact O-N 2.89Å; L49-C52 WeakPolarHBondContact O-CB 3.3Å; L49-C52 PolarHBondContact O-N 3.32Å; L49-L55 HydrophobicContact CB-CD2 4.47Å; L49-L55 HydrophobicContact CD2-CD2 3.88Å
50A81.5Confident89.2Confident57 Ų5788.6 Ų88.647%0.47147%0.466SS..THydrogen-bonded Turntrans-58.8-42-172.100000113.5E46 H47E46-A50 PolarHBondContact O-N 3.1Å; H47-A50 PolarHBondContact O-N 3.19Å
51D78.3Confident89.2Confident152 Ų15285.7 Ų85.781%0.81345%0.454SS*.THydrogen-bonded Turntrans-90.92.3-175.7-60.1-50000113.7L49 A53L49-D51 PolarHBondContact O-N 2.89Å; D51-A53 PolarHBondContact O-N 2.96Å
52C85.9Confident89.2Confident53 Ų5382.6 Ų82.636%0.35844%0.438SS..  trans-78.175.5-176-67.30000112.3L49 E54 L55 H56L49-C52 WeakPolarHBondContact O-CB 3.3Å; L49-C52 PolarHBondContact O-N 3.32Å; C52-E54 VanDerWaalsContact C-N 3.3Å; C52-E54 PolarHBondContact O-N 3.04Å; C52-L55 HydrophobicContact CB-CB 3.88Å; C52-L55 HydrophobicContact CB-CD2 4.36Å; C52-L55 WeakPolarHBondContact O-CB 3.37Å; C52-L55 PolarHBondContact O-N 2.73Å; C52-L55 VanDerWaalsContact O-N 3.17Å; C52-H56 PolarHBondContact O-N 2.83Å; C52-H56 PolarHBondContact O-ND1 2.73Å
53A86.6Confident89.3Confident73 Ų7379.8 Ų79.860%0.60343%0.425SS*.THydrogen-bonded Turntrans-56.1-37.9-17600000114.3D51 H56 V57D51-A53 PolarHBondContact O-N 2.96Å; A53-H56 PolarHBondContact O-N 2.81Å; A53-V57 PolarHBondContact O-N 3.27Å
54E88.1Confident89.4Confident154 Ų15477.6 Ų77.672%0.7242%0.417SS*.THydrogen-bonded Turntrans-65.6-41.8177.7-176.8172.7-160.400112.3C52 H56 V57 L58C52-E54 VanDerWaalsContact C-N 3.3Å; C52-E54 PolarHBondContact O-N 3.04Å; E54-H56 PolarHBondContact O-N 2.79Å; E54-V57 WeakPolarHBondContact O-CA 3.46Å; E54-V57 WeakPolarHBondContact O-CB 3.39Å; E54-V57 PolarHBondContact O-N 2.98Å; E54-L58 HydrophobicContact CG-CD1 4.44Å; E54-L58 PolarHBondContact O-N 3.41Å
55L88.3Confident89.4Confident54 Ų5477.2 Ų77.228%0.28341%0.414SS..Hα-helixtrans-59.8-37.8174.4-176.563.7000111.3L49 C52 V57 L58 E59 L89L49-L55 HydrophobicContact CB-CD2 4.47Å; L49-L55 HydrophobicContact CD2-CD2 3.88Å; C52-L55 HydrophobicContact CB-CB 3.88Å; C52-L55 HydrophobicContact CB-CD2 4.36Å; C52-L55 WeakPolarHBondContact O-CB 3.37Å; C52-L55 PolarHBondContact O-N 2.73Å; C52-L55 VanDerWaalsContact O-N 3.17Å; L55-V57 VanDerWaalsContact C-N 3.26Å; L55-V57 PolarHBondContact O-N 3.46Å; L55-L58 PolarHBondContact O-N 3.35Å; L55-E59 VanDerWaalsContact O-CB 3.22Å; L55-E59 WeakPolarHBondContact O-CB 3.42Å; L55-E59 PolarHBondContact O-N 3.17Å; L55-L89 HydrophobicContact CD1-CD1 4.03Å; L55-L89 HydrophobicContact CD1-CD2 3.76Å
56H88.9Confident89.5Confident86 Ų8674.8 Ų74.840%0.39841%0.412SS..Hα-helixtrans-71.9-13.7174.4-66.690.6000113.8C52 A53 E54 R60C52-H56 PolarHBondContact O-N 2.83Å; C52-H56 PolarHBondContact O-ND1 2.73Å; A53-H56 PolarHBondContact O-N 2.81Å; E54-H56 PolarHBondContact O-N 2.79Å; H56-R60 PolarHBondContact O-NE 3.02Å; H56-R60 PolarHBondContact O-NH2 3.07Å
57V92Very high89.6Confident56 Ų5672.6 Ų72.634%0.33940%0.403SS..Hα-helixtrans-79.8-57.2166.2178.50000109.1A53 E54 L55 E59 R60 E61A53-V57 PolarHBondContact O-N 3.27Å; E54-V57 WeakPolarHBondContact O-CA 3.46Å; E54-V57 WeakPolarHBondContact O-CB 3.39Å; E54-V57 PolarHBondContact O-N 2.98Å; L55-V57 VanDerWaalsContact C-N 3.26Å; L55-V57 PolarHBondContact O-N 3.46Å; V57-E59 VanDerWaalsContact C-N 3.26Å; V57-E59 PolarHBondContact O-N 3.41Å; V57-R60 WeakPolarHBondContact O-CB 3.48Å; V57-R60 PolarHBondContact O-N 2.95Å; V57-E61 HydrophobicContact CG1-CG 4.48Å; V57-E61 VanDerWaalsContact CG1-OE1 3.31Å; V57-E61 WeakPolarHBondContact CG1-OE1 3.4Å; V57-E61 PolarHBondContact O-N 2.75Å
58L92.7Very high89.8Confident44 Ų4465.6 Ų65.623%0.2337%0.37CS..Hα-helixtrans-55.6-39.6-179.3-64.2170.6000112.2E54 L55 R60 E61 A62 T85 H86 L89E54-L58 HydrophobicContact CG-CD1 4.44Å; E54-L58 PolarHBondContact O-N 3.41Å; L55-L58 PolarHBondContact O-N 3.35Å; L58-R60 VanDerWaalsContact C-N 3.35Å; L58-R60 PolarHBondContact O-N 2.93Å; L58-E61 PolarHBondContact O-N 2.64Å; L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.05Å; L58-T85 HydrophobicContact CD1-CG2 4.08Å; L58-T85 HydrophobicContact CD2-CG2 4.26Å; L58-H86 WeakPolarHBondContact CD2-NE2 3.26Å; L58-H86 PolarHBondContact O-CD2 2.98Å; L58-L89 HydrophobicContact CB-CD1 3.63Å
59E91.9Very high90Very high58 Ų5865.9 Ų65.927%0.27137%0.366SS..Hα-helixtrans-66-33.6176.8-164-149.7-144.400112.6L55 V57 N63 L89 K91L55-E59 VanDerWaalsContact O-CB 3.22Å; L55-E59 WeakPolarHBondContact O-CB 3.42Å; L55-E59 PolarHBondContact O-N 3.17Å; V57-E59 VanDerWaalsContact C-N 3.26Å; V57-E59 PolarHBondContact O-N 3.41Å; E59-N63 WeakPolarHBondContact O-CB 3.37Å; E59-N63 PolarHBondContact O-N 2.88Å; E59-N63 PolarHBondContact O-ND2 3.02Å; E59-L89 HydrophobicContact CG-CB 4.37Å; E59-K91 WeakPolarHBondContact OE1-CE 3.32Å; E59-K91 IonicContact OE1-NZ 3.98Å; E59-K91 PolarHBondContact OE1-NZ 3.49Å; E59-K91 VanDerWaalsContact OE1-NZ 3.07Å; E59-K91 WeakPolarHBondContact OE2-CE 3.4Å; E59-K91 IonicContact OE2-NZ 3.49Å; E59-K91 PolarHBondContact OE2-NZ 3.44Å
60R92.2Very high90.3Very high163 Ų16367.8 Ų67.862%0.61537%0.373SS*.Hα-helixtrans-72.2-40.5174.2-77.8179.8-71.6148.90.3111.6H56 V57 L58 N63 S64H56-R60 PolarHBondContact O-NE 3.02Å; H56-R60 PolarHBondContact O-NH2 3.07Å; V57-R60 WeakPolarHBondContact O-CB 3.48Å; V57-R60 PolarHBondContact O-N 2.95Å; L58-R60 VanDerWaalsContact C-N 3.35Å; L58-R60 PolarHBondContact O-N 2.93Å; R60-N63 PolarHBondContact O-N 3.23Å; R60-S64 PolarHBondContact O-N 3.48Å
61E93.4Very high90.8Very high72 Ų7266 Ų6634%0.33635%0.354SS..Hα-helixtrans-67.3-43.8177.9-64.4-175.8-169.200111.2V57 L58 N63 S64 I67V57-E61 HydrophobicContact CG1-CG 4.48Å; V57-E61 VanDerWaalsContact CG1-OE1 3.31Å; V57-E61 WeakPolarHBondContact CG1-OE1 3.4Å; V57-E61 PolarHBondContact O-N 2.75Å; L58-E61 PolarHBondContact O-N 2.64Å; E61-N63 PolarHBondContact O-N 3.19Å; E61-S64 PolarHBondContact O-N 2.96Å; E61-S64 VanDerWaalsContact O-N 3.07Å; E61-I67 HydrophobicContact CB-CD1 4.27Å; E61-I67 HydrophobicContact CG-CD1 3.97Å
62A93Very high91.3Very high0 Ų061.6 Ų61.60%033%0.328CS..THydrogen-bonded Turntrans-58.8-18.4174.400000114.5L58 H86 L89 Y101L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.05Å; A62-H86 HydrophobicContact CB-CB 3.76Å; A62-H86 WeakPolarHBondContact CB-O 3.17Å; A62-L89 HydrophobicContact CB-CB 3.76Å; A62-Y101 WeakPolarHBondContact CA-OH 3.4Å; A62-Y101 VanDerWaalsContact O-CE2 3.31Å; A62-Y101 WeakPolarHBondContact O-CE2 3.29Å; A62-Y101 PolarHBondContact O-OH 2.96Å
63N94.8Very high91.4Very high22 Ų2267.3 Ų67.312%0.11835%0.35CS..THydrogen-bonded Turntrans-111.14.7-178.5-78.9-81.6000113.5E59 R60 E61 P65 L89 K91 N94E59-N63 WeakPolarHBondContact O-CB 3.37Å; E59-N63 PolarHBondContact O-N 2.88Å; E59-N63 PolarHBondContact O-ND2 3.02Å; R60-N63 PolarHBondContact O-N 3.23Å; E61-N63 PolarHBondContact O-N 3.19Å; N63-P65 WeakPolarHBondContact O-CD 3.46Å; N63-L89 PolarHBondContact ND2-O 2.91Å; N63-K91 VanDerWaalsContact OD1-CB 3.32Å; N63-K91 WeakPolarHBondContact OD1-CB 3.32Å; N63-K91 PolarHBondContact OD1-N 2.95Å; N63-N94 WeakPolarHBondContact CB-ND2 3.4Å; N63-N94 PolarHBondContact O-ND2 3.2Å; N63-N94 PolarHBondContact OD1-ND2 2.77Å
64S94.6Very high91.8Very high40 Ų4067.6 Ų67.628%0.2834%0.338SS..  trans-99.9104.8179.3-179.20000111.1R60 E61 G66 I67 I68R60-S64 PolarHBondContact O-N 3.48Å; E61-S64 PolarHBondContact O-N 2.96Å; E61-S64 VanDerWaalsContact O-N 3.07Å; S64-G66 PolarHBondContact O-N 3.36Å; S64-G66 VanDerWaalsContact O-N 3.17Å; S64-I67 PolarHBondContact O-N 3.22Å; S64-I68 WeakPolarHBondContact O-CG1 3.39Å; S64-I68 PolarHBondContact O-N 3.39Å; S64-I68 VanDerWaalsContact O-N 3.09Å
65P91.3Very high91.9Very high49 Ų4962.9 Ų62.932%0.31832%0.323SS..Hα-helixtrans-60.2-29.3179.524.2-33.8000112.5N63 I67 N69 D96 E100N63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 PolarHBondContact O-N 3.11Å; P65-N69 VanDerWaalsContact O-CB 3.27Å; P65-N69 WeakPolarHBondContact O-CB 3.48Å; P65-N69 PolarHBondContact O-N 3.17Å; P65-D96 HydrophobicContact CB-CB 4.43Å; P65-D96 HydrophobicContact CG-CB 4.11Å; P65-E100 HydrophobicContact CB-CG 4.02Å
66G91.5Very high92Very high42 Ų4263.7 Ų63.743%0.43332%0.324SS..Hα-helixtrans-65.7-28.9174.800000114S64 Q70S64-G66 PolarHBondContact O-N 3.36Å; S64-G66 VanDerWaalsContact O-N 3.17Å; G66-Q70 WeakPolarHBondContact O-CG 3.45Å; G66-Q70 PolarHBondContact O-NE2 3.25Å
67I92.8Very high92Very high49 Ų4963.5 Ų63.525%0.25133%0.326SS..Hα-helixtrans-84.4-46176.6-67175.1000110.1E61 S64 P65 N69 Q70 W71E61-I67 HydrophobicContact CB-CD1 4.27Å; E61-I67 HydrophobicContact CG-CD1 3.97Å; S64-I67 PolarHBondContact O-N 3.22Å; P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 PolarHBondContact O-N 3.11Å; I67-N69 PolarHBondContact O-N 2.82Å; I67-Q70 WeakPolarHBondContact O-CB 3.37Å; I67-Q70 PolarHBondContact O-N 3.35Å; I67-W71 HydrophobicContact CG2-CZ2 4.03Å; I67-W71 PolarHBondContact O-N 3.36Å
68I93.2Very high92Very high1 Ų165.8 Ų65.81%0.00533%0.331CS..Hα-helixtrans-57.4-36.7177.8-57.9156.9000111.1S64 W71 A97 E100 Y101 L104S64-I68 WeakPolarHBondContact O-CG1 3.39Å; S64-I68 PolarHBondContact O-N 3.39Å; S64-I68 VanDerWaalsContact O-N 3.09Å; I68-W71 HydrophobicContact CB-CE3 4.24Å; I68-W71 HydrophobicContact CB-CZ3 4.2Å; I68-W71 HydrophobicContact CG1-CE3 4.39Å; I68-W71 HydrophobicContact CG1-CH2 3.98Å; I68-W71 HydrophobicContact CG1-CZ3 3.87Å; I68-W71 HydrophobicContact CG2-CE3 3.97Å; I68-W71 HydrophobicContact CG2-CZ3 4.01Å; I68-W71 WeakPolarHBondContact O-CB 3.42Å; I68-W71 PolarHBondContact O-N 3.04Å; I68-A97 HydrophobicContact CD1-CB 3.72Å; I68-E100 HydrophobicContact CB-CB 4.03Å; I68-E100 HydrophobicContact CG2-CB 3.6Å; I68-Y101 HydrophobicContact CD1-CD2 3.92Å; I68-Y101 HydrophobicContact CD1-CE2 3.39Å; I68-Y101 HydrophobicContact CG1-CE2 4.1Å; I68-L104 HydrophobicContact CG2-CD2 4.47Å
69N92.1Very high92.1Very high80 Ų8063.8 Ų63.843%0.42832%0.321SS..Hα-helixtrans-70-29.9175.8-170.632.5000113.5P65 I67 W71 Q72P65-N69 VanDerWaalsContact O-CB 3.27Å; P65-N69 WeakPolarHBondContact O-CB 3.48Å; P65-N69 PolarHBondContact O-N 3.17Å; I67-N69 PolarHBondContact O-N 2.82Å; N69-W71 VanDerWaalsContact C-N 3.31Å; N69-W71 PolarHBondContact O-N 3.03Å; N69-Q72 WeakPolarHBondContact O-CB 3.32Å; N69-Q72 WeakPolarHBondContact O-CG 3.48Å; N69-Q72 PolarHBondContact O-N 3.47Å; N69-Q72 PolarHBondContact OD1-NE2 2.92Å
70Q92.6Very high92.1Very high119 Ų11961.2 Ų61.256%0.55631%0.309SS*.Hα-helixtrans-67.6-32.4175.6-73.5167.460.300111.8G66 I67 Q72 Q73G66-Q70 WeakPolarHBondContact O-CG 3.45Å; G66-Q70 PolarHBondContact O-NE2 3.25Å; I67-Q70 WeakPolarHBondContact O-CB 3.37Å; I67-Q70 PolarHBondContact O-N 3.35Å; Q70-Q72 PolarHBondContact O-N 3.39Å; Q70-Q73 WeakPolarHBondContact O-CB 3.35Å; Q70-Q73 PolarHBondContact O-N 2.87Å
71W93.3Very high92.2Very high18 Ų1856.8 Ų56.87%0.06830%0.303CS..G310 helixtrans-58.4-19.5175.4-55.4-20.1000113.3I67 I68 N69 Q73 E74 V79 L82 L83 H86 Y101 L104I67-W71 HydrophobicContact CG2-CZ2 4.03Å; I67-W71 PolarHBondContact O-N 3.36Å; I68-W71 HydrophobicContact CB-CE3 4.24Å; I68-W71 HydrophobicContact CB-CZ3 4.2Å; I68-W71 HydrophobicContact CG1-CE3 4.39Å; I68-W71 HydrophobicContact CG1-CH2 3.98Å; I68-W71 HydrophobicContact CG1-CZ3 3.87Å; I68-W71 HydrophobicContact CG2-CE3 3.97Å; I68-W71 HydrophobicContact CG2-CZ3 4.01Å; I68-W71 WeakPolarHBondContact O-CB 3.42Å; I68-W71 PolarHBondContact O-N 3.04Å; N69-W71 VanDerWaalsContact C-N 3.31Å; N69-W71 PolarHBondContact O-N 3.03Å; W71-Q73 PolarHBondContact O-N 3.41Å; W71-Q73 VanDerWaalsContact O-N 3.11Å; W71-E74 PolarHBondContact O-N 3.3Å; W71-E74 VanDerWaalsContact O-N 3.14Å; W71-V79 HydrophobicContact CB-CG2 4.36Å; W71-V79 WeakPolarHBondContact O-CG2 3.29Å; W71-L82 HydrophobicContact CD2-CB 4.32Å; W71-L82 HydrophobicContact CD2-CD1 4.36Å; W71-L82 HydrophobicContact CG-CD1 4.05Å; W71-L83 HydrophobicContact CE3-CD2 4.45Å; W71-L83 HydrophobicContact CZ3-CD2 4.33Å; W71-H86 HydrophobicContact CH2-CB 3.63Å; W71-H86 AromaticContact CH2-CG 3.65Å; W71-H86 AromaticContact CH2-ND1 3.97Å; W71-H86 HydrophobicContact CZ2-CB 4.46Å; W71-H86 AromaticContact CZ2-CG 3.99Å; W71-H86 HydrophobicContact CZ3-CB 4.38Å; W71-Y101 AromaticContact CZ3-CE1 3.89Å; W71-Y101 HydrophobicContact CZ3-CE1 3.89Å; W71-L104 HydrophobicContact CB-CD2 4.19Å; W71-L104 HydrophobicContact CE3-CD2 4.22Å
72Q87.3Confident92.2Very high60 Ų6055.6 Ų55.628%0.2830%0.299SS..G310 helixtrans-63.2-15.9173.9-55.9-160.653.400113.7N69 Q70 L104N69-Q72 WeakPolarHBondContact O-CB 3.32Å; N69-Q72 WeakPolarHBondContact O-CG 3.48Å; N69-Q72 PolarHBondContact O-N 3.47Å; N69-Q72 PolarHBondContact OD1-NE2 2.92Å; Q70-Q72 PolarHBondContact O-N 3.39Å; Q72-L104 HydrophobicContact CG-CD1 4.16Å
73Q89.4Confident92.3Very high173 Ų17355.6 Ų55.681%0.80830%0.299SS*.G310 helixtrans-95.5-9.5178.9-53.7-179.517.700113.3Q70 W71Q70-Q73 WeakPolarHBondContact O-CB 3.35Å; Q70-Q73 PolarHBondContact O-N 2.87Å; W71-Q73 PolarHBondContact O-N 3.41Å; W71-Q73 VanDerWaalsContact O-N 3.11Å
74E93.6Very high92.3Very high79 Ų7956.1 Ų56.137%0.36930%0.301SS..SBendtrans-87.5164.3-178.2-81.5-75.1-150.700113.3W71 K78 V79W71-E74 PolarHBondContact O-N 3.3Å; W71-E74 VanDerWaalsContact O-N 3.14Å; E74-K78 HydrophobicContact CB-CB 4.48Å; E74-K78 HydrophobicContact CB-CD 4.35Å; E74-K78 VanDerWaalsContact CD-CD 3.48Å; E74-K78 HydrophobicContact CG-CD 4.36Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 2.87Å; E74-K78 WeakPolarHBondContact OE2-CD 3.34Å; E74-K78 WeakPolarHBondContact OE2-CE 3.48Å; E74-K78 IonicContact OE2-NZ 2.73Å; E74-K78 PolarHBondContact OE2-NZ 3.39Å; E74-V79 HydrophobicContact CB-CG2 3.86Å
75S91.7Very high92.2Very high56 Ų5657.3 Ų57.339%0.39231%0.307SS..  trans-63.6146.9174.868.40000111.6D77 K78 V79S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 PolarHBondContact O-N 3.01Å; S75-K78 WeakPolarHBondContact O-CB 3.38Å; S75-K78 PolarHBondContact O-N 3.21Å; S75-K78 VanDerWaalsContact O-N 3.12Å; S75-K78 WeakPolarHBondContact OG-CG 2.92Å; S75-V79 WeakPolarHBondContact O-CG2 3.46Å; S75-V79 PolarHBondContact O-N 3.45Å
76K89.4Confident92.4Very high70 Ų7055.3 Ų55.330%0.30429%0.293SS..Hα-helixtrans-58.1-41-170.5-58.6-57.7-179.7-1640112.5V79 I80 I108K76-V79 CarbonylContact O-C 3.59Å; K76-V79 WeakPolarHBondContact O-CB 3.35Å; K76-V79 PolarHBondContact O-N 3.32Å; K76-V79 VanDerWaalsContact O-N 3.12Å; K76-I80 VanDerWaalsContact O-CG1 3.28Å; K76-I80 WeakPolarHBondContact O-CG1 3.32Å; K76-I80 PolarHBondContact O-N 3.02Å; K76-I108 HydrophobicContact CD-CD1 3.73Å
77D89.9Confident92.5Very high83 Ų8353.3 Ų53.344%0.44427%0.273SS..Hα-helixtrans-63-43.6-179.9-18.4-29.9000111S75 I80 S81 H118S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 PolarHBondContact O-N 3.01Å; D77-I80 PolarHBondContact O-N 2.96Å; D77-S81 PolarHBondContact O-N 3.16Å; D77-S81 VanDerWaalsContact O-N 3.07Å; D77-H118 IonicContact OD1-NE2 3.67Å
78K92.3Very high92.6Very high103 Ų10353.2 Ų53.245%0.44828%0.276SS..Hα-helixtrans-61.1-45.4170.9-76.5178.1173-173.90111.2E74 S75 I80 S81 L82E74-K78 HydrophobicContact CB-CB 4.48Å; E74-K78 HydrophobicContact CB-CD 4.35Å; E74-K78 VanDerWaalsContact CD-CD 3.48Å; E74-K78 HydrophobicContact CG-CD 4.36Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 2.87Å; E74-K78 WeakPolarHBondContact OE2-CD 3.34Å; E74-K78 WeakPolarHBondContact OE2-CE 3.48Å; E74-K78 IonicContact OE2-NZ 2.73Å; E74-K78 PolarHBondContact OE2-NZ 3.39Å; S75-K78 WeakPolarHBondContact O-CB 3.38Å; S75-K78 PolarHBondContact O-N 3.21Å; S75-K78 VanDerWaalsContact O-N 3.12Å; S75-K78 WeakPolarHBondContact OG-CG 2.92Å; K78-I80 VanDerWaalsContact C-N 3.29Å; K78-I80 PolarHBondContact O-N 3.45Å; K78-S81 PolarHBondContact O-N 2.86Å; K78-L82 WeakPolarHBondContact O-CB 3.39Å; K78-L82 VanDerWaalsContact O-CG 3.3Å; K78-L82 WeakPolarHBondContact O-CG 3.44Å; K78-L82 PolarHBondContact O-N 2.76Å
79V93.8Very high92.6Very high2 Ų255 Ų551%0.01229%0.285CS..Hα-helixtrans-63.4-37.6-179.7-179.70000111.1W71 E74 S75 K76 L82 L83 L104 I108W71-V79 HydrophobicContact CB-CG2 4.36Å; W71-V79 WeakPolarHBondContact O-CG2 3.29Å; E74-V79 HydrophobicContact CB-CG2 3.86Å; S75-V79 WeakPolarHBondContact O-CG2 3.46Å; S75-V79 PolarHBondContact O-N 3.45Å; K76-V79 CarbonylContact O-C 3.59Å; K76-V79 WeakPolarHBondContact O-CB 3.35Å; K76-V79 PolarHBondContact O-N 3.32Å; K76-V79 VanDerWaalsContact O-N 3.12Å; V79-L82 PolarHBondContact O-N 2.7Å; V79-L83 HydrophobicContact CG1-CD1 3.85Å; V79-L83 HydrophobicContact CG1-CG 4.1Å; V79-L83 VanDerWaalsContact O-CB 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.5Å; V79-L83 PolarHBondContact O-N 3.41Å; V79-L104 HydrophobicContact CG1-CD1 4.12Å; V79-L104 HydrophobicContact CG1-CD2 3.9Å; V79-L104 HydrophobicContact CG1-CG 4.14Å; V79-I108 HydrophobicContact CB-CD1 4.01Å; V79-I108 HydrophobicContact CG1-CD1 3.7Å; V79-I108 HydrophobicContact CG1-CG1 3.88Å
80I93Very high92.7Very high4 Ų451.3 Ų51.32%0.02127%0.265CS..Hα-helixtrans-62.5-47174.6-71.1164.7000110.7K76 D77 K78 L83 L84 I108 H118 E121 L125K76-I80 VanDerWaalsContact O-CG1 3.28Å; K76-I80 WeakPolarHBondContact O-CG1 3.32Å; K76-I80 PolarHBondContact O-N 3.02Å; D77-I80 PolarHBondContact O-N 2.96Å; K78-I80 VanDerWaalsContact C-N 3.29Å; K78-I80 PolarHBondContact O-N 3.45Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-L84 HydrophobicContact CG2-CD1 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.12Å; I80-I108 HydrophobicContact CD1-CG2 3.86Å; I80-I108 HydrophobicContact CG1-CG2 3.31Å; I80-H118 HydrophobicContact CD1-CB 3.5Å; I80-H118 HydrophobicContact CG2-CB 4.48Å; I80-E121 HydrophobicContact CG2-CB 3.48Å; I80-E121 VanDerWaalsContact CG2-CB 3.48Å; I80-E121 HydrophobicContact CG2-CG 4.2Å; I80-L125 HydrophobicContact CG2-CD1 4.37Å
81S93.4Very high92.7Very high71 Ų7150 Ų5050%0.49726%0.258SS..Hα-helixtrans-60.5-47.5174.6-172.50000112.2D77 K78 L83 L84 T85D77-S81 PolarHBondContact O-N 3.16Å; D77-S81 VanDerWaalsContact O-N 3.07Å; K78-S81 PolarHBondContact O-N 2.86Å; S81-L83 PolarHBondContact O-N 3.29Å; S81-L84 PolarHBondContact O-N 3.36Å; S81-T85 PolarHBondContact O-N 2.94Å; S81-T85 VanDerWaalsContact O-N 3.11Å; S81-T85 PolarHBondContact O-OG1 3.19Å
82L94.2Very high92.4Very high46 Ų4653.4 Ų53.424%0.24128%0.282CS..Hα-helixtrans-61.3-45.3178.8-73165.2000111.3W71 K78 V79 L84 T85 H86W71-L82 HydrophobicContact CD2-CB 4.32Å; W71-L82 HydrophobicContact CD2-CD1 4.36Å; W71-L82 HydrophobicContact CG-CD1 4.05Å; K78-L82 WeakPolarHBondContact O-CB 3.39Å; K78-L82 VanDerWaalsContact O-CG 3.3Å; K78-L82 WeakPolarHBondContact O-CG 3.44Å; K78-L82 PolarHBondContact O-N 2.76Å; V79-L82 PolarHBondContact O-N 2.7Å; L82-L84 VanDerWaalsContact C-N 3.35Å; L82-L84 PolarHBondContact O-N 3.1Å; L82-T85 PolarHBondContact O-N 3.46Å; L82-H86 WeakPolarHBondContact O-CB 3.32Å; L82-H86 PolarHBondContact O-N 3.1Å; L82-H86 PolarHBondContact O-ND1 2.98Å
83L94.5Very high92.3Very high0 Ų053.7 Ų53.70%030%0.301CS..Hα-helixtrans-61.5-40.6176.1-73.7171.6000111.8W71 V79 I80 S81 L87 Y101 L104 L105 I108 L125W71-L83 HydrophobicContact CE3-CD2 4.45Å; W71-L83 HydrophobicContact CZ3-CD2 4.33Å; V79-L83 HydrophobicContact CG1-CD1 3.85Å; V79-L83 HydrophobicContact CG1-CG 4.1Å; V79-L83 VanDerWaalsContact O-CB 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.5Å; V79-L83 PolarHBondContact O-N 3.41Å; I80-L83 PolarHBondContact O-N 3.43Å; S81-L83 PolarHBondContact O-N 3.29Å; L83-L87 WeakPolarHBondContact O-CB 3.5Å; L83-L87 PolarHBondContact O-N 3.04Å; L83-Y101 HydrophobicContact CD2-CD1 3.6Å; L83-Y101 HydrophobicContact CD2-CE1 3.77Å; L83-L104 HydrophobicContact CD1-CG 4.34Å; L83-L104 HydrophobicContact CD2-CD2 4.13Å; L83-L104 HydrophobicContact CD2-CG 4.45Å; L83-L105 HydrophobicContact CD1-CD2 4.18Å; L83-I108 HydrophobicContact CD1-CB 4.42Å; L83-I108 HydrophobicContact CD1-CG1 3.98Å; L83-I108 HydrophobicContact CD1-CG2 4.43Å; L83-L125 HydrophobicContact CB-CD1 4.24Å; L83-L125 HydrophobicContact CB-CD2 3.51Å; L83-L125 HydrophobicContact CD1-CD1 4.25Å
84L93.7Very high92.4Very high33 Ų3347.3 Ų47.317%0.17327%0.273CS..Hα-helixtrans-63.6-43.3178.5-80.6171.5000112I80 S81 L82 P88 E121 Q124 L125 Y128I80-L84 HydrophobicContact CG2-CD1 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.12Å; S81-L84 PolarHBondContact O-N 3.36Å; L82-L84 VanDerWaalsContact C-N 3.35Å; L82-L84 PolarHBondContact O-N 3.1Å; L84-P88 WeakPolarHBondContact O-CD 3.38Å; L84-P88 WeakPolarHBondContact O-CG 3.42Å; L84-E121 HydrophobicContact CD1-CB 3.94Å; L84-E121 HydrophobicContact CD1-CG 4.24Å; L84-Q124 HydrophobicContact CD2-CB 3.68Å; L84-L125 HydrophobicContact CB-CD2 4.41Å; L84-L125 HydrophobicContact CD2-CD2 3.75Å; L84-L125 HydrophobicContact CD2-CG 3.8Å; L84-L125 HydrophobicContact CG-CD2 3.79Å; L84-L125 HydrophobicContact CG-CG 3.98Å; L84-Y128 HydrophobicContact CD2-CD2 4.23Å; L84-Y128 HydrophobicContact CD2-CE2 4.2Å
85T94.2Very high92.3Very high66 Ų6649.1 Ų49.141%0.40528%0.284SS..Hα-helixtrans-71.1-38.4178.7-52.60000112.8L58 S81 L82L58-T85 HydrophobicContact CD1-CG2 4.08Å; L58-T85 HydrophobicContact CD2-CG2 4.26Å; S81-T85 PolarHBondContact O-N 2.94Å; S81-T85 VanDerWaalsContact O-N 3.11Å; S81-T85 PolarHBondContact O-OG1 3.19Å; L82-T85 PolarHBondContact O-N 3.46Å
86H94.4Very high92.3Very high6 Ų651.9 Ų51.93%0.02830%0.295CS..Hα-helixtrans-97.3-30.7-168.8-65.486.3000114.6L58 A62 W71 L82 P88 L89 Y101L58-H86 WeakPolarHBondContact CD2-NE2 3.26Å; L58-H86 PolarHBondContact O-CD2 2.98Å; A62-H86 HydrophobicContact CB-CB 3.76Å; A62-H86 WeakPolarHBondContact CB-O 3.17Å; W71-H86 HydrophobicContact CH2-CB 3.63Å; W71-H86 AromaticContact CH2-CG 3.65Å; W71-H86 AromaticContact CH2-ND1 3.97Å; W71-H86 HydrophobicContact CZ2-CB 4.46Å; W71-H86 AromaticContact CZ2-CG 3.99Å; W71-H86 HydrophobicContact CZ3-CB 4.38Å; L82-H86 WeakPolarHBondContact O-CB 3.32Å; L82-H86 PolarHBondContact O-N 3.1Å; L82-H86 PolarHBondContact O-ND1 2.98Å; H86-P88 VanDerWaalsContact C-CD 3.45Å; H86-P88 VanDerWaalsContact C-N 3.35Å; H86-L89 WeakPolarHBondContact O-CB 3.35Å; H86-L89 PolarHBondContact O-N 3.35Å; H86-Y101 WeakPolarHBondContact CB-OH 3.44Å
87L93.9Very high92.5Very high0 Ų048.6 Ų48.60%028%0.28CS..G310 helixtrans-58.1-36.6-179.9-179.564.2000113.9L83 L89 L90 Y101 L105 L125 A129L83-L87 WeakPolarHBondContact O-CB 3.5Å; L83-L87 PolarHBondContact O-N 3.04Å; L87-L89 PolarHBondContact O-N 3.16Å; L87-L90 PolarHBondContact O-N 3.39Å; L87-Y101 HydrophobicContact CB-CE1 4.28Å; L87-Y101 HydrophobicContact CD1-CD1 3.92Å; L87-Y101 HydrophobicContact CD1-CE1 4.26Å; L87-Y101 HydrophobicContact CD1-CG 4.18Å; L87-L105 HydrophobicContact CD2-CD1 4.36Å; L87-L125 HydrophobicContact CD2-CD2 4.34Å; L87-A129 HydrophobicContact CD2-CB 4.07Å
88P94.1Very high92.7Very high48 Ų4846 Ų4631%0.31227%0.265SS..G310 helixtrans-66.9-13.4173.8-21.634.9000114.8L84 H86 Y128L84-P88 WeakPolarHBondContact O-CD 3.38Å; L84-P88 WeakPolarHBondContact O-CG 3.42Å; H86-P88 VanDerWaalsContact C-CD 3.45Å; H86-P88 VanDerWaalsContact C-N 3.35Å; P88-Y128 HydrophobicContact CB-CD1 4.41Å; P88-Y128 HydrophobicContact CB-CE1 4.33Å; P88-Y128 HydrophobicContact CG-CD1 3.85Å; P88-Y128 HydrophobicContact CG-CD2 4.22Å; P88-Y128 HydrophobicContact CG-CE1 3.78Å; P88-Y128 HydrophobicContact CG-CE2 4.16Å; P88-Y128 HydrophobicContact CG-CG 4.08Å
89L93.8Very high92.8Very high38 Ų3844 Ų4420%0.19926%0.262CS..G310 helixtrans-103.51.6-176-52.6179.9000113.2L55 L58 E59 A62 N63 H86 L87 K91L55-L89 HydrophobicContact CD1-CD1 4.03Å; L55-L89 HydrophobicContact CD1-CD2 3.76Å; L58-L89 HydrophobicContact CB-CD1 3.63Å; E59-L89 HydrophobicContact CG-CB 4.37Å; A62-L89 HydrophobicContact CB-CB 3.76Å; N63-L89 PolarHBondContact ND2-O 2.91Å; H86-L89 WeakPolarHBondContact O-CB 3.35Å; H86-L89 PolarHBondContact O-N 3.35Å; L87-L89 PolarHBondContact O-N 3.16Å; L89-K91 PolarHBondContact O-N 3.5Å
90L94.5Very high92.8Very high3 Ų345.1 Ų45.12%0.01627%0.267CS..PPolyproline II helixtrans-64.9127.6177.5170.863.2000110.9L87 P92 N94 A97 K98 Y101 H132 A134L87-L90 PolarHBondContact O-N 3.39Å; L90-P92 WeakPolarHBondContact O-CD 3.25Å; L90-N94 HydrophobicContact CD1-CB 4.41Å; L90-A97 HydrophobicContact CD1-CB 3.72Å; L90-K98 HydrophobicContact CD2-CB 4.24Å; L90-K98 HydrophobicContact CD2-CG 4.22Å; L90-Y101 HydrophobicContact CB-CE2 4.27Å; L90-Y101 HydrophobicContact CD1-CD2 4.19Å; L90-Y101 HydrophobicContact CD1-CE2 4.01Å; L90-Y101 HydrophobicContact CD2-CD2 3.87Å; L90-Y101 HydrophobicContact CD2-CE2 4.22Å; L90-Y101 HydrophobicContact CG-CD2 4.49Å; L90-Y101 HydrophobicContact CG-CE2 4.39Å; L90-H132 PolarHBondContact O-CE1 3.12Å; L90-H132 PolarHBondContact O-NE2 2.69Å; L90-H132 VanDerWaalsContact O-NE2 3.12Å; L90-A134 HydrophobicContact CD2-CB 4.05Å; L90-A134 HydrophobicContact CG-CB 4.06Å
91K91.4Very high92.9Very high91 Ų9145 Ų4540%0.39627%0.266SS..PPolyproline II helixtrans-78.2128.7-177.1-71.7178.6-178.2-174.90112.1E59 N63 L89 G93 N94E59-K91 WeakPolarHBondContact OE1-CE 3.32Å; E59-K91 IonicContact OE1-NZ 3.98Å; E59-K91 PolarHBondContact OE1-NZ 3.49Å; E59-K91 VanDerWaalsContact OE1-NZ 3.07Å; E59-K91 WeakPolarHBondContact OE2-CE 3.4Å; E59-K91 IonicContact OE2-NZ 3.49Å; E59-K91 PolarHBondContact OE2-NZ 3.44Å; N63-K91 VanDerWaalsContact OD1-CB 3.32Å; N63-K91 WeakPolarHBondContact OD1-CB 3.32Å; N63-K91 PolarHBondContact OD1-N 2.95Å; L89-K91 PolarHBondContact O-N 3.5Å; K91-G93 PolarHBondContact O-N 3.47Å; K91-N94 HydrophobicContact CB-CB 4.36Å; K91-N94 WeakPolarHBondContact O-CB 3.46Å; K91-N94 PolarHBondContact O-N 3.16Å
92P88.4Confident92.9Very high89 Ų8943.2 Ų43.258%0.57825%0.25SS*.THydrogen-bonded Turntrans-55.9123.4169.5-24.935.9000110.9L90 P133 A134L90-P92 WeakPolarHBondContact O-CD 3.25Å; P92-P133 HydrophobicContact CG-CB 3.96Å; P92-A134 HydrophobicContact CB-CB 4.41Å; P92-A134 HydrophobicContact CG-CB 4.46Å
93G85.2Confident92.7Very high67 Ų6745.8 Ų45.869%0.69126%0.259SS*.THydrogen-bonded Turntrans100.6-15-174.400000115.2K91 L95K91-G93 PolarHBondContact O-N 3.47Å; G93-L95 VanDerWaalsContact C-N 3.34Å; G93-L95 PolarHBondContact O-N 2.63Å
94N91.9Very high92.7Very high39 Ų3946 Ų4621%0.20926%0.26CS..  trans-78.681.9172.5-173.4-7.4000110.6N63 L90 K91 A97 K98N63-N94 WeakPolarHBondContact CB-ND2 3.4Å; N63-N94 PolarHBondContact O-ND2 3.2Å; N63-N94 PolarHBondContact OD1-ND2 2.77Å; L90-N94 HydrophobicContact CD1-CB 4.41Å; K91-N94 HydrophobicContact CB-CB 4.36Å; K91-N94 WeakPolarHBondContact O-CB 3.46Å; K91-N94 PolarHBondContact O-N 3.16Å; N94-A97 HydrophobicContact CB-CB 4.49Å; N94-A97 WeakPolarHBondContact ND2-CB 3.39Å; N94-A97 WeakPolarHBondContact OD1-CB 3.36Å; N94-A97 PolarHBondContact OD1-N 3.05Å; N94-K98 WeakPolarHBondContact O-CB 3.29Å; N94-K98 PolarHBondContact O-N 2.88Å; N94-K98 VanDerWaalsContact O-N 3.14Å
95L90.9Very high92.6Very high116 Ų11644.4 Ų44.461%0.60725%0.252SS*.Hα-helixtrans-65.7-37.3-175.9-62.9-179.5000112.7G93 K98 V99G93-L95 VanDerWaalsContact C-N 3.34Å; G93-L95 PolarHBondContact O-N 2.63Å; L95-K98 WeakPolarHBondContact O-CB 3.38Å; L95-K98 PolarHBondContact O-N 3.49Å; L95-V99 WeakPolarHBondContact O-CG2 3.3Å; L95-V99 PolarHBondContact O-N 2.97Å
96D92.3Very high92.5Very high115 Ų11543.2 Ų43.262%0.61525%0.246SC*.Hα-helixtrans-66.5-47-176.4-58-50.3000111.6P65 V99 E100P65-D96 HydrophobicContact CB-CB 4.43Å; P65-D96 HydrophobicContact CG-CB 4.11Å; D96-V99 PolarHBondContact O-N 3.19Å; D96-E100 PolarHBondContact O-N 3.47Å
97A93.1Very high92.4Very high0 Ų048 Ų480%027%0.266CS..Hα-helixtrans-62.7-43.5172.600000111.4I68 L90 N94 V99 E100 Y101I68-A97 HydrophobicContact CD1-CB 3.72Å; L90-A97 HydrophobicContact CD1-CB 3.72Å; N94-A97 HydrophobicContact CB-CB 4.49Å; N94-A97 WeakPolarHBondContact ND2-CB 3.39Å; N94-A97 WeakPolarHBondContact OD1-CB 3.36Å; N94-A97 PolarHBondContact OD1-N 3.05Å; A97-V99 VanDerWaalsContact C-N 3.27Å; A97-V99 PolarHBondContact O-N 2.95Å; A97-E100 PolarHBondContact O-N 3.46Å; A97-E100 VanDerWaalsContact O-N 3.15Å; A97-Y101 WeakPolarHBondContact O-CD2 3.46Å; A97-Y101 PolarHBondContact O-N 2.78Å; A97-Y101 VanDerWaalsContact O-N 3.11Å
98K94.4Very high92.3Very high28 Ų2848 Ų4812%0.12227%0.267CS..Hα-helixtrans-56.5-40.8177.7-165.2-140.772.3154.10111.9L90 N94 L95 Y101 M102 A134 D139L90-K98 HydrophobicContact CD2-CB 4.24Å; L90-K98 HydrophobicContact CD2-CG 4.22Å; N94-K98 WeakPolarHBondContact O-CB 3.29Å; N94-K98 PolarHBondContact O-N 2.88Å; N94-K98 VanDerWaalsContact O-N 3.14Å; L95-K98 WeakPolarHBondContact O-CB 3.38Å; L95-K98 PolarHBondContact O-N 3.49Å; K98-Y101 PolarHBondContact O-N 3.26Å; K98-M102 WeakPolarHBondContact O-CG 3.31Å; K98-M102 PolarHBondContact O-N 2.91Å; K98-A134 VanDerWaalsContact CD-O 3.3Å; K98-A134 WeakPolarHBondContact CD-O 3.5Å; K98-D139 WeakPolarHBondContact CD-OD2 3.35Å; K98-D139 WeakPolarHBondContact CE-OD2 3.35Å; K98-D139 IonicContact NZ-OD1 2.65Å; K98-D139 PolarHBondContact NZ-OD1 3.34Å; K98-D139 IonicContact NZ-OD2 2.64Å; K98-D139 PolarHBondContact NZ-OD2 3.36Å
99V93.6Very high92.2Very high62 Ų6245.8 Ų45.838%0.37625%0.252SS..Hα-helixtrans-62.6-40.8178.51640000111.7L95 D96 A97 M102 K103L95-V99 WeakPolarHBondContact O-CG2 3.3Å; L95-V99 PolarHBondContact O-N 2.97Å; D96-V99 PolarHBondContact O-N 3.19Å; A97-V99 VanDerWaalsContact C-N 3.27Å; A97-V99 PolarHBondContact O-N 2.95Å; V99-M102 PolarHBondContact O-N 3.05Å; V99-K103 HydrophobicContact CG1-CD 4.16Å; V99-K103 VanDerWaalsContact O-CG 3.32Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 3.02Å
100E94.3Very high92Very high26 Ų2645.7 Ų45.712%0.12126%0.257CS..Hα-helixtrans-68.7-38.9175.7-61.9-48.4130.800112.7P65 I68 D96 A97 M102 K103 L104P65-E100 HydrophobicContact CB-CG 4.02Å; I68-E100 HydrophobicContact CB-CB 4.03Å; I68-E100 HydrophobicContact CG2-CB 3.6Å; D96-E100 PolarHBondContact O-N 3.47Å; A97-E100 PolarHBondContact O-N 3.46Å; A97-E100 VanDerWaalsContact O-N 3.15Å; E100-M102 PolarHBondContact O-N 3.18Å; E100-K103 PolarHBondContact O-N 2.8Å; E100-K103 IonicContact OE1-NZ 2.62Å; E100-K103 PolarHBondContact OE1-NZ 3.03Å; E100-K103 VanDerWaalsContact OE2-CD 3.31Å; E100-K103 WeakPolarHBondContact OE2-CD 3.45Å; E100-K103 IonicContact OE2-NZ 3.64Å; E100-L104 WeakPolarHBondContact O-CB 3.29Å; E100-L104 PolarHBondContact O-N 2.72Å
101Y94.3Very high91.8Very high0 Ų047.7 Ų47.70%027%0.266CS..Hα-helixtrans-59.2-44.1170.8-76.7-75.5000112.4A62 I68 W71 L83 H86 L87 L90 A97 K98 K103 L104 L105A62-Y101 WeakPolarHBondContact CA-OH 3.4Å; A62-Y101 VanDerWaalsContact O-CE2 3.31Å; A62-Y101 WeakPolarHBondContact O-CE2 3.29Å; A62-Y101 PolarHBondContact O-OH 2.96Å; I68-Y101 HydrophobicContact CD1-CD2 3.92Å; I68-Y101 HydrophobicContact CD1-CE2 3.39Å; I68-Y101 HydrophobicContact CG1-CE2 4.1Å; W71-Y101 AromaticContact CZ3-CE1 3.89Å; W71-Y101 HydrophobicContact CZ3-CE1 3.89Å; L83-Y101 HydrophobicContact CD2-CD1 3.6Å; L83-Y101 HydrophobicContact CD2-CE1 3.77Å; H86-Y101 WeakPolarHBondContact CB-OH 3.44Å; L87-Y101 HydrophobicContact CB-CE1 4.28Å; L87-Y101 HydrophobicContact CD1-CD1 3.92Å; L87-Y101 HydrophobicContact CD1-CE1 4.26Å; L87-Y101 HydrophobicContact CD1-CG 4.18Å; L90-Y101 HydrophobicContact CB-CE2 4.27Å; L90-Y101 HydrophobicContact CD1-CD2 4.19Å; L90-Y101 HydrophobicContact CD1-CE2 4.01Å; L90-Y101 HydrophobicContact CD2-CD2 3.87Å; L90-Y101 HydrophobicContact CD2-CE2 4.22Å; L90-Y101 HydrophobicContact CG-CD2 4.49Å; L90-Y101 HydrophobicContact CG-CE2 4.39Å; A97-Y101 WeakPolarHBondContact O-CD2 3.46Å; A97-Y101 PolarHBondContact O-N 2.78Å; A97-Y101 VanDerWaalsContact O-N 3.11Å; K98-Y101 PolarHBondContact O-N 3.26Å; Y101-K103 VanDerWaalsContact C-N 3.3Å; Y101-K103 PolarHBondContact O-N 2.97Å; Y101-L104 PolarHBondContact O-N 3.02Å; Y101-L104 VanDerWaalsContact O-N 3.15Å; Y101-L105 WeakPolarHBondContact O-CB 3.44Å; Y101-L105 WeakPolarHBondContact O-CG 3.39Å; Y101-L105 PolarHBondContact O-N 3.27Å
102M93.1Very high91.7Very high34 Ų3443.4 Ų43.417%0.16725%0.247CC..Hα-helixtrans-70.2-24.6179.6-64.8-52.5108.400113K98 V99 E100 L105 P106 T135 D139 L143K98-M102 WeakPolarHBondContact O-CG 3.31Å; K98-M102 PolarHBondContact O-N 2.91Å; V99-M102 PolarHBondContact O-N 3.05Å; E100-M102 PolarHBondContact O-N 3.18Å; M102-L105 HydrophobicContact CE-CD1 3.72Å; M102-P106 WeakPolarHBondContact O-CD 3.49Å; M102-P106 WeakPolarHBondContact O-CG 3.4Å; M102-T135 HydrophobicContact CE-CG2 3.92Å; M102-D139 HydrophobicContact SD-CB 3.88Å; M102-L143 HydrophobicContact CE-CD1 4.46Å; M102-L143 HydrophobicContact SD-CD1 4.01Å
103K91.5Very high91.7Very high100 Ų10040.3 Ų40.344%0.43523%0.226SC..Hα-helixtrans-74.2-31.1168.8-72.8164.6178.9174.10112.8V99 E100 Y101 K107V99-K103 HydrophobicContact CG1-CD 4.16Å; V99-K103 VanDerWaalsContact O-CG 3.32Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 3.02Å; E100-K103 PolarHBondContact O-N 2.8Å; E100-K103 IonicContact OE1-NZ 2.62Å; E100-K103 PolarHBondContact OE1-NZ 3.03Å; E100-K103 VanDerWaalsContact OE2-CD 3.31Å; E100-K103 WeakPolarHBondContact OE2-CD 3.45Å; E100-K103 IonicContact OE2-NZ 3.64Å; Y101-K103 VanDerWaalsContact C-N 3.3Å; Y101-K103 PolarHBondContact O-N 2.97Å; K103-K107 WeakPolarHBondContact O-CD 3.35Å; K103-K107 VanDerWaalsContact O-CE 3.23Å; K103-K107 WeakPolarHBondContact O-CE 3.37Å; K103-K107 WeakPolarHBondContact O-CG 3.49Å
104L92.9Very high91.8Very high4 Ų443.5 Ų43.52%0.02122%0.223CC..Hα-helixtrans-89.8-44.3-172.4-173.648.8000112.9I68 W71 Q72 V79 L83 E100 Y101 K107 I108I68-L104 HydrophobicContact CG2-CD2 4.47Å; W71-L104 HydrophobicContact CB-CD2 4.19Å; W71-L104 HydrophobicContact CE3-CD2 4.22Å; Q72-L104 HydrophobicContact CG-CD1 4.16Å; V79-L104 HydrophobicContact CG1-CD1 4.12Å; V79-L104 HydrophobicContact CG1-CD2 3.9Å; V79-L104 HydrophobicContact CG1-CG 4.14Å; L83-L104 HydrophobicContact CD1-CG 4.34Å; L83-L104 HydrophobicContact CD2-CD2 4.13Å; L83-L104 HydrophobicContact CD2-CG 4.45Å; E100-L104 WeakPolarHBondContact O-CB 3.29Å; E100-L104 PolarHBondContact O-N 2.72Å; Y101-L104 PolarHBondContact O-N 3.02Å; Y101-L104 VanDerWaalsContact O-N 3.15Å; L104-K107 WeakPolarHBondContact O-CB 3.39Å; L104-K107 PolarHBondContact O-N 3.28Å; L104-K107 VanDerWaalsContact O-N 3.1Å; L104-I108 HydrophobicContact CD1-CD1 4.33Å; L104-I108 HydrophobicContact CD1-CG1 4.04Å; L104-I108 HydrophobicContact CG-CG1 4.34Å; L104-I108 PolarHBondContact O-N 3.34Å
105L93.4Very high91.5Very high1 Ų146.1 Ų46.11%0.00523%0.234CC..Hα-helixtrans-52.8-49.7-177.4-79.5164.7000113.5L83 L87 Y101 M102 K107 I108 L109 L125 A129 L143L83-L105 HydrophobicContact CD1-CD2 4.18Å; L87-L105 HydrophobicContact CD2-CD1 4.36Å; Y101-L105 WeakPolarHBondContact O-CB 3.44Å; Y101-L105 WeakPolarHBondContact O-CG 3.39Å; Y101-L105 PolarHBondContact O-N 3.27Å; M102-L105 HydrophobicContact CE-CD1 3.72Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 PolarHBondContact O-N 3.43Å; L105-I108 PolarHBondContact O-N 3Å; L105-I108 VanDerWaalsContact O-N 3.16Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.39Å; L105-L109 PolarHBondContact O-N 2.98Å; L105-L125 HydrophobicContact CD2-CB 4.26Å; L105-L125 HydrophobicContact CD2-CD1 4.39Å; L105-L125 HydrophobicContact CD2-CD2 4.46Å; L105-A129 HydrophobicContact CD1-CB 4.32Å; L105-L143 HydrophobicContact CB-CD2 4.46Å
106P92.1Very high91.2Very high41 Ų4144.1 Ų44.127%0.26622%0.224SC..Hα-helixtrans-61.6-33.5179.6-23.735.2000113.5M102 I108 A110 W146M102-P106 WeakPolarHBondContact O-CD 3.49Å; M102-P106 WeakPolarHBondContact O-CG 3.4Å; P106-I108 VanDerWaalsContact C-N 3.34Å; P106-A110 WeakPolarHBondContact O-CB 3.29Å; P106-A110 PolarHBondContact O-N 3.38Å; P106-W146 HydrophobicContact CB-CZ2 4.08Å
107K91.3Very high91Very high105 Ų10543.4 Ų43.446%0.45722%0.217SC..Hα-helixtrans-67.2-37.1178.1-58.5178-176-174.80111.8K103 L104 L105 H111K103-K107 WeakPolarHBondContact O-CD 3.35Å; K103-K107 VanDerWaalsContact O-CE 3.23Å; K103-K107 WeakPolarHBondContact O-CE 3.37Å; K103-K107 WeakPolarHBondContact O-CG 3.49Å; L104-K107 WeakPolarHBondContact O-CB 3.39Å; L104-K107 PolarHBondContact O-N 3.28Å; L104-K107 VanDerWaalsContact O-N 3.1Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 PolarHBondContact O-N 3.43Å; K107-H111 PolarHBondContact O-N 3.32Å
108I92.4Very high90.8Very high1 Ų146 Ų461%0.00523%0.229CC..Hα-helixtrans-76.8-42.5179.4-63.1-55.6000111K76 V79 I80 L83 L104 L105 P106 H111 S112K76-I108 HydrophobicContact CD-CD1 3.73Å; V79-I108 HydrophobicContact CB-CD1 4.01Å; V79-I108 HydrophobicContact CG1-CD1 3.7Å; V79-I108 HydrophobicContact CG1-CG1 3.88Å; I80-I108 HydrophobicContact CD1-CG2 3.86Å; I80-I108 HydrophobicContact CG1-CG2 3.31Å; L83-I108 HydrophobicContact CD1-CB 4.42Å; L83-I108 HydrophobicContact CD1-CG1 3.98Å; L83-I108 HydrophobicContact CD1-CG2 4.43Å; L104-I108 HydrophobicContact CD1-CD1 4.33Å; L104-I108 HydrophobicContact CD1-CG1 4.04Å; L104-I108 HydrophobicContact CG-CG1 4.34Å; L104-I108 PolarHBondContact O-N 3.34Å; L105-I108 PolarHBondContact O-N 3Å; L105-I108 VanDerWaalsContact O-N 3.16Å; P106-I108 VanDerWaalsContact C-N 3.34Å; I108-H111 PolarHBondContact O-N 2.81Å; I108-S112 WeakPolarHBondContact O-CB 3.45Å; I108-S112 PolarHBondContact O-N 3.28Å; I108-S112 PolarHBondContact O-OG 3.05Å
109L91.4Very high90.6Very high1 Ų146.3 Ų46.31%0.00523%0.231CC..Hα-helixtrans-64.4-42.5176.4-66168.7000111.7L105 S112 I113 L126 L143 W146L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.39Å; L105-L109 PolarHBondContact O-N 2.98Å; L109-S112 PolarHBondContact O-N 2.9Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.23Å; L109-L126 HydrophobicContact CD1-CD1 4.32Å; L109-L126 HydrophobicContact CD1-CD2 3.72Å; L109-L126 HydrophobicContact CD1-CG 4.02Å; L109-L126 HydrophobicContact CD2-CD1 3.87Å; L109-L126 HydrophobicContact CD2-CG 3.95Å; L109-L143 HydrophobicContact CD1-CD2 4.25Å; L109-W146 HydrophobicContact CB-CD2 4.17Å; L109-W146 HydrophobicContact CB-CE3 3.81Å; L109-W146 HydrophobicContact CB-CZ3 4.3Å; L109-W146 HydrophobicContact CD1-CB 4.03Å; L109-W146 HydrophobicContact CD1-CD2 4.41Å; L109-W146 HydrophobicContact CD1-CG 4.07Å
110A90.3Very high90.3Very high37 Ų3746.8 Ų46.831%0.30623%0.229SC..Hα-helixtrans-57.1-53.1173.800000112P106 S112 I113 E114 W146P106-A110 WeakPolarHBondContact O-CB 3.29Å; P106-A110 PolarHBondContact O-N 3.38Å; A110-S112 VanDerWaalsContact C-N 3.32Å; A110-S112 PolarHBondContact O-N 3.11Å; A110-I113 PolarHBondContact O-N 2.86Å; A110-E114 VanDerWaalsContact O-CB 3.29Å; A110-E114 WeakPolarHBondContact O-CB 3.48Å; A110-E114 PolarHBondContact O-N 3.29Å; A110-W146 HydrophobicContact CB-CH2 3.79Å; A110-W146 HydrophobicContact CB-CZ3 4.03Å
111H89.3Confident90.2Very high44 Ų4448.4 Ų48.420%0.20424%0.237CC..Hα-helixtrans-57.2-45.4178.5-179.8-84.4000112K107 I108 E114 H115K107-H111 PolarHBondContact O-N 3.32Å; I108-H111 PolarHBondContact O-N 2.81Å; H111-E114 PolarHBondContact O-N 3.02Å; H111-H115 AromaticContact CD2-CE1 3.64Å; H111-H115 AromaticContact CD2-ND1 3.62Å; H111-H115 AromaticContact CE1-ND1 3.91Å; H111-H115 AromaticContact CG-ND1 3.84Å; H111-H115 AromaticContact NE2-CE1 3.77Å; H111-H115 AromaticContact NE2-ND1 3.72Å; H111-H115 WeakPolarHBondContact O-CB 3.5Å; H111-H115 PolarHBondContact O-N 2.81Å; H111-H115 PolarHBondContact O-ND1 3.2Å
112S89.9Confident90.2Very high1 Ų148.4 Ų48.41%0.00724%0.237CC..Hα-helixtrans-63.5-42-178.9-56.90000112I108 L109 A110 N116 Q117 I119 S122I108-S112 WeakPolarHBondContact O-CB 3.45Å; I108-S112 PolarHBondContact O-N 3.28Å; I108-S112 PolarHBondContact O-OG 3.05Å; L109-S112 PolarHBondContact O-N 2.9Å; A110-S112 VanDerWaalsContact C-N 3.32Å; A110-S112 PolarHBondContact O-N 3.11Å; S112-N116 CarbonylContact O-C 3.6Å; S112-N116 WeakPolarHBondContact O-CA 3.32Å; S112-N116 PolarHBondContact O-N 2.8Å; S112-Q117 WeakPolarHBondContact CA-O 3.18Å; S112-Q117 VanDerWaalsContact CB-O 3.24Å; S112-Q117 WeakPolarHBondContact CB-O 3.38Å; S112-Q117 PolarHBondContact O-N 3.04Å; S112-Q117 VanDerWaalsContact O-N 3.09Å; S112-I119 WeakPolarHBondContact O-CD1 3.45Å; S112-S122 WeakPolarHBondContact CB-OG 3.32Å; S112-S122 PolarHBondContact OG-OG 2.65Å
113I88.1Confident90.1Very high24 Ų2450.9 Ų50.912%0.12324%0.244CC..Hα-helixtrans-72-37.2177.4-70.6167.1000112.1L109 A110 N116 W146 H149 L150 R153L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.23Å; A110-I113 PolarHBondContact O-N 2.86Å; I113-N116 PolarHBondContact O-OD1 2.92Å; I113-W146 HydrophobicContact CD1-CE3 3.82Å; I113-W146 HydrophobicContact CD1-CZ3 4.16Å; I113-H149 HydrophobicContact CD1-CB 4.4Å; I113-L150 HydrophobicContact CD1-CB 4.41Å; I113-R153 HydrophobicContact CG2-CG 4.19Å; I113-R153 PolarHBondContact O-NH2 3.42Å
114E87.8Confident90.2Very high135 Ų13547.7 Ų47.763%0.63123%0.231SC*.Hα-helixtrans-65.2-51.6177.4-179.1173.3-139.600111.4A110 H111 N116A110-E114 VanDerWaalsContact O-CB 3.29Å; A110-E114 WeakPolarHBondContact O-CB 3.48Å; A110-E114 PolarHBondContact O-N 3.29Å; H111-E114 PolarHBondContact O-N 3.02Å; E114-N116 PolarHBondContact O-ND2 2.85Å
115H85.1Confident90.2Very high94 Ų9447.5 Ų47.544%0.43523%0.23SC..Hα-helixtrans-85.2-9.7-176.6-60.876.1000113.2H111 Q117H111-H115 AromaticContact CD2-CE1 3.64Å; H111-H115 AromaticContact CD2-ND1 3.62Å; H111-H115 AromaticContact CE1-ND1 3.91Å; H111-H115 AromaticContact CG-ND1 3.84Å; H111-H115 AromaticContact NE2-CE1 3.77Å; H111-H115 AromaticContact NE2-ND1 3.72Å; H111-H115 WeakPolarHBondContact O-CB 3.5Å; H111-H115 PolarHBondContact O-N 2.81Å; H111-H115 PolarHBondContact O-ND1 3.2Å; H115-Q117 VanDerWaalsContact C-N 3.33Å; H115-Q117 HydrophobicContact CB-CG 4.41Å
116N84.7Confident90.2Very high74 Ų7447.5 Ų47.540%0.39623%0.23SC..THydrogen-bonded Turntrans5642.9-174.8-53.4-86.4000113.1S112 I113 E114 R153S112-N116 CarbonylContact O-C 3.6Å; S112-N116 WeakPolarHBondContact O-CA 3.32Å; S112-N116 PolarHBondContact O-N 2.8Å; I113-N116 PolarHBondContact O-OD1 2.92Å; E114-N116 PolarHBondContact O-ND2 2.85Å; N116-R153 PolarHBondContact ND2-NH2 3.06Å; N116-R153 PolarHBondContact OD1-NE 3.1Å; N116-R153 PolarHBondContact OD1-NH2 2.85Å
117Q87.6Confident90.2Very high100 Ų10046.9 Ų46.947%0.46723%0.226SC..  trans-121157.4179.8-70.8175.7-16.200110.3S112 H115 I119S112-Q117 WeakPolarHBondContact CA-O 3.18Å; S112-Q117 VanDerWaalsContact CB-O 3.24Å; S112-Q117 WeakPolarHBondContact CB-O 3.38Å; S112-Q117 PolarHBondContact O-N 3.04Å; S112-Q117 VanDerWaalsContact O-N 3.09Å; H115-Q117 VanDerWaalsContact C-N 3.33Å; H115-Q117 HydrophobicContact CB-CG 4.41Å; Q117-I119 PolarHBondContact O-N 3.31Å; Q117-I119 VanDerWaalsContact O-N 3.13Å
118H89.1Confident90.3Very high54 Ų5442.9 Ų42.925%0.2521%0.209CC..SBendtrans48.739.9177.2-61-64.1000115D77 I80 E121 S122D77-H118 IonicContact OD1-NE2 3.67Å; I80-H118 HydrophobicContact CD1-CB 3.5Å; I80-H118 HydrophobicContact CG2-CB 4.48Å; H118-E121 WeakPolarHBondContact CA-OE2 3.26Å; H118-E121 HydrophobicContact CB-CB 4.35Å; H118-E121 IonicContact CE1-OE1 2.94Å; H118-E121 IonicContact CG-OE1 2.71Å; H118-E121 IonicContact ND1-OE1 2.67Å; H118-E121 PolarHBondContact ND1-OE1 3.42Å; H118-S122 VanDerWaalsContact O-CB 3.22Å; H118-S122 WeakPolarHBondContact O-CB 3.14Å; H118-S122 PolarHBondContact O-N 2.91Å; H118-S122 PolarHBondContact O-OG 3.31Å
119I89.7Confident90.4Very high35 Ų3542.9 Ų42.918%0.17921%0.209CC..Hα-helixtrans-73.7-34.9-172.6-61.9-61.8000112S112 Q117 R123 L150 T154S112-I119 WeakPolarHBondContact O-CD1 3.45Å; Q117-I119 PolarHBondContact O-N 3.31Å; Q117-I119 VanDerWaalsContact O-N 3.13Å; I119-R123 PolarHBondContact O-N 3Å; I119-L150 HydrophobicContact CG2-CD1 4.42Å; I119-L150 HydrophobicContact CG2-CD2 3.74Å; I119-L150 HydrophobicContact CG2-CG 4Å; I119-T154 HydrophobicContact CG2-CG2 3.39Å
120E88.8Confident90.4Very high72 Ų7245 Ų4534%0.33622%0.22SC..Hα-helixtrans-74.8-41.3178.3171.651.2-153.400110.8N18 S122 R123 Q124N18-E120 PolarHBondContact ND2-OE1 2.89Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 2.83Å; E120-R123 VanDerWaalsContact CD-NH2 3.33Å; E120-R123 WeakPolarHBondContact O-CB 3.44Å; E120-R123 PolarHBondContact O-N 3.45Å; E120-R123 VanDerWaalsContact O-N 3.13Å; E120-R123 IonicContact OE1-CZ 2.72Å; E120-R123 IonicContact OE1-NE 3.91Å; E120-R123 PolarHBondContact OE1-NE 3.2Å; E120-R123 IonicContact OE1-NH2 2.74Å; E120-R123 PolarHBondContact OE1-NH2 2.78Å; E120-R123 IonicContact OE2-CZ 2.73Å; E120-R123 IonicContact OE2-NE 3.66Å; E120-R123 PolarHBondContact OE2-NE 3.48Å; E120-R123 IonicContact OE2-NH2 2.67Å; E120-R123 PolarHBondContact OE2-NH2 3.3Å; E120-Q124 WeakPolarHBondContact O-CG 3.38Å; E120-Q124 PolarHBondContact O-N 3.49Å; E120-Q124 PolarHBondContact OE1-NE2 2.67Å
121E92.4Very high90.4Very high60 Ų6045.8 Ų45.828%0.2822%0.218SC..Hα-helixtrans-62.3-40.2172.5-56.595.7127.900110.8I80 L84 H118 Q124 L125I80-E121 HydrophobicContact CG2-CB 3.48Å; I80-E121 VanDerWaalsContact CG2-CB 3.48Å; I80-E121 HydrophobicContact CG2-CG 4.2Å; L84-E121 HydrophobicContact CD1-CB 3.94Å; L84-E121 HydrophobicContact CD1-CG 4.24Å; H118-E121 WeakPolarHBondContact CA-OE2 3.26Å; H118-E121 HydrophobicContact CB-CB 4.35Å; H118-E121 IonicContact CE1-OE1 2.94Å; H118-E121 IonicContact CG-OE1 2.71Å; H118-E121 IonicContact ND1-OE1 2.67Å; H118-E121 PolarHBondContact ND1-OE1 3.42Å; E121-Q124 PolarHBondContact O-N 2.8Å; E121-L125 WeakPolarHBondContact O-CG 3.33Å; E121-L125 PolarHBondContact O-N 3.38Å
122S92.6Very high90.5Very high0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-63.7-37.9171.6-680000112.9S112 H118 E120 L126S112-S122 WeakPolarHBondContact CB-OG 3.32Å; S112-S122 PolarHBondContact OG-OG 2.65Å; H118-S122 VanDerWaalsContact O-CB 3.22Å; H118-S122 WeakPolarHBondContact O-CB 3.14Å; H118-S122 PolarHBondContact O-N 2.91Å; H118-S122 PolarHBondContact O-OG 3.31Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 2.83Å; S122-L126 WeakPolarHBondContact O-CB 3.41Å; S122-L126 WeakPolarHBondContact O-CG 3.44Å; S122-L126 PolarHBondContact O-N 3.26Å
123R91.4Very high90.5Very high86 Ų8649.1 Ų49.133%0.32524%0.242SC..Hα-helixtrans-63.1-41.3172.2-175.8-174.172.2104.3-5.8111.2E21 I119 E120 S127 L150E21-R123 IonicContact OE1-CZ 3.58Å; E21-R123 IonicContact OE1-NH1 2.7Å; E21-R123 IonicContact OE1-NH2 3.48Å; E21-R123 PolarHBondContact OE1-NH2 3.4Å; I119-R123 PolarHBondContact O-N 3Å; E120-R123 VanDerWaalsContact CD-NH2 3.33Å; E120-R123 WeakPolarHBondContact O-CB 3.44Å; E120-R123 PolarHBondContact O-N 3.45Å; E120-R123 VanDerWaalsContact O-N 3.13Å; E120-R123 IonicContact OE1-CZ 2.72Å; E120-R123 IonicContact OE1-NE 3.91Å; E120-R123 PolarHBondContact OE1-NE 3.2Å; E120-R123 IonicContact OE1-NH2 2.74Å; E120-R123 PolarHBondContact OE1-NH2 2.78Å; E120-R123 IonicContact OE2-CZ 2.73Å; E120-R123 IonicContact OE2-NE 3.66Å; E120-R123 PolarHBondContact OE2-NE 3.48Å; E120-R123 IonicContact OE2-NH2 2.67Å; E120-R123 PolarHBondContact OE2-NH2 3.3Å; R123-S127 VanDerWaalsContact O-CB 3.31Å; R123-S127 WeakPolarHBondContact O-CB 3.3Å; R123-S127 PolarHBondContact O-N 2.92Å; R123-S127 PolarHBondContact O-OG 3.33Å; R123-L150 HydrophobicContact CB-CD2 4.37Å
124Q93.5Very high90.5Very high33 Ų3348.7 Ų48.715%0.15424%0.242CC..Hα-helixtrans-68.3-43177.6-67.9171.724.700111.8N18 C20 L84 E120 E121 L126 S127 Y128N18-Q124 PolarHBondContact ND2-NE2 3.42Å; C20-Q124 HydrophobicContact CB-CB 3.96Å; C20-Q124 HydrophobicContact CB-CG 3.8Å; L84-Q124 HydrophobicContact CD2-CB 3.68Å; E120-Q124 WeakPolarHBondContact O-CG 3.38Å; E120-Q124 PolarHBondContact O-N 3.49Å; E120-Q124 PolarHBondContact OE1-NE2 2.67Å; E121-Q124 PolarHBondContact O-N 2.8Å; Q124-L126 PolarHBondContact O-N 2.95Å; Q124-S127 WeakPolarHBondContact O-CB 3.41Å; Q124-S127 PolarHBondContact O-N 2.73Å; Q124-Y128 VanDerWaalsContact O-CD2 3.25Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.35Å; Q124-Y128 PolarHBondContact O-N 3.25Å
125L93.9Very high90.5Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-57.8-46.5173.6-76176.3000112.4I80 L83 L84 L87 L105 E121 A129I80-L125 HydrophobicContact CG2-CD1 4.37Å; L83-L125 HydrophobicContact CB-CD1 4.24Å; L83-L125 HydrophobicContact CB-CD2 3.51Å; L83-L125 HydrophobicContact CD1-CD1 4.25Å; L84-L125 HydrophobicContact CB-CD2 4.41Å; L84-L125 HydrophobicContact CD2-CD2 3.75Å; L84-L125 HydrophobicContact CD2-CG 3.8Å; L84-L125 HydrophobicContact CG-CD2 3.79Å; L84-L125 HydrophobicContact CG-CG 3.98Å; L87-L125 HydrophobicContact CD2-CD2 4.34Å; L105-L125 HydrophobicContact CD2-CB 4.26Å; L105-L125 HydrophobicContact CD2-CD1 4.39Å; L105-L125 HydrophobicContact CD2-CD2 4.46Å; E121-L125 WeakPolarHBondContact O-CG 3.33Å; E121-L125 PolarHBondContact O-N 3.38Å; L125-A129 WeakPolarHBondContact O-CB 3.35Å; L125-A129 PolarHBondContact O-N 2.71Å
126L92.4Very high90.7Very high1 Ų140 Ų401%0.00521%0.207CC..Hα-helixtrans-64.6-41.4175.3-78166.1000111.9L109 S122 Q124 A129 L130 L143 W146 L147 L150L109-L126 HydrophobicContact CD1-CD1 4.32Å; L109-L126 HydrophobicContact CD1-CD2 3.72Å; L109-L126 HydrophobicContact CD1-CG 4.02Å; L109-L126 HydrophobicContact CD2-CD1 3.87Å; L109-L126 HydrophobicContact CD2-CG 3.95Å; S122-L126 WeakPolarHBondContact O-CB 3.41Å; S122-L126 WeakPolarHBondContact O-CG 3.44Å; S122-L126 PolarHBondContact O-N 3.26Å; Q124-L126 PolarHBondContact O-N 2.95Å; L126-A129 PolarHBondContact O-N 3.49Å; L126-L130 WeakPolarHBondContact O-CB 3.18Å; L126-L130 VanDerWaalsContact O-CG 3.22Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 3.06Å; L126-L143 HydrophobicContact CD2-CB 4.02Å; L126-L143 HydrophobicContact CD2-CD2 4.05Å; L126-L143 WeakPolarHBondContact CD2-O 3.49Å; L126-W146 HydrophobicContact CD1-CB 4.3Å; L126-W146 HydrophobicContact CD2-CB 4.14Å; L126-L147 HydrophobicContact CB-CD1 4.36Å; L126-L147 HydrophobicContact CD1-CB 4.09Å; L126-L150 HydrophobicContact CD1-CD1 4.26Å
127S92.3Very high90.8Very high27 Ų2743.5 Ų43.519%0.18923%0.225CC..Hα-helixtrans-60.1-47.2177.1-63.70000111.6R123 Q124 I131R123-S127 VanDerWaalsContact O-CB 3.31Å; R123-S127 WeakPolarHBondContact O-CB 3.3Å; R123-S127 PolarHBondContact O-N 2.92Å; R123-S127 PolarHBondContact O-OG 3.33Å; Q124-S127 WeakPolarHBondContact O-CB 3.41Å; Q124-S127 PolarHBondContact O-N 2.73Å; S127-I131 WeakPolarHBondContact O-CG1 3.33Å; S127-I131 WeakPolarHBondContact O-CG2 3.43Å; S127-I131 PolarHBondContact O-N 3.09Å
128Y94.4Very high90.8Very high22 Ų2246 Ų469%0.08624%0.236CC..Hα-helixtrans-60.3-53.2172.2-76.5-59.1000111.7C20 T23 L84 P88 Q124 L130 I131 H132C20-Y128 WeakPolarHBondContact CA-OH 3.36Å; C20-Y128 HydrophobicContact CB-CD2 4.36Å; C20-Y128 HydrophobicContact CB-CE1 4.45Å; C20-Y128 HydrophobicContact CB-CE2 3.68Å; C20-Y128 PolarHBondContact N-OH 3.02Å; T23-Y128 HydrophobicContact CG2-CE1 4.05Å; L84-Y128 HydrophobicContact CD2-CD2 4.23Å; L84-Y128 HydrophobicContact CD2-CE2 4.2Å; P88-Y128 HydrophobicContact CB-CD1 4.41Å; P88-Y128 HydrophobicContact CB-CE1 4.33Å; P88-Y128 HydrophobicContact CG-CD1 3.85Å; P88-Y128 HydrophobicContact CG-CD2 4.22Å; P88-Y128 HydrophobicContact CG-CE1 3.78Å; P88-Y128 HydrophobicContact CG-CE2 4.16Å; P88-Y128 HydrophobicContact CG-CG 4.08Å; Q124-Y128 VanDerWaalsContact O-CD2 3.25Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.35Å; Q124-Y128 PolarHBondContact O-N 3.25Å; Y128-L130 VanDerWaalsContact C-N 3.27Å; Y128-L130 PolarHBondContact O-N 3.01Å; Y128-I131 WeakPolarHBondContact O-CG1 3.31Å; Y128-I131 PolarHBondContact O-N 3.02Å; Y128-H132 WeakPolarHBondContact O-CB 3.3Å; Y128-H132 PolarHBondContact O-N 3.3Å
129A92.9Very high90.9Very high0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-59.1-35.3-175.900000113.6L87 L105 L125 L126 T135 L143L87-A129 HydrophobicContact CD2-CB 4.07Å; L105-A129 HydrophobicContact CD1-CB 4.32Å; L125-A129 WeakPolarHBondContact O-CB 3.35Å; L125-A129 PolarHBondContact O-N 2.71Å; L126-A129 PolarHBondContact O-N 3.49Å; A129-T135 WeakPolarHBondContact O-CG2 3.3Å; A129-T135 PolarHBondContact O-OG1 3.23Å; A129-L143 HydrophobicContact CB-CD1 3.69Å
130L91.5Very high90.9Very high46 Ų4646 Ų4624%0.24123%0.234CC..Hα-helixtrans-73.8-37.6178.6-70.2170.4000112.8L126 Y128 R140 L143 L147L126-L130 WeakPolarHBondContact O-CB 3.18Å; L126-L130 VanDerWaalsContact O-CG 3.22Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 3.06Å; Y128-L130 VanDerWaalsContact C-N 3.27Å; Y128-L130 PolarHBondContact O-N 3.01Å; L130-R140 HydrophobicContact CD2-CB 4.02Å; L130-R140 HydrophobicContact CD2-CG 4.16Å; L130-R140 WeakPolarHBondContact CD2-O 3.23Å; L130-R140 VanDerWaalsContact O-CD 3.3Å; L130-R140 WeakPolarHBondContact O-CD 3.43Å; L130-R140 PolarHBondContact O-NE 3.11Å; L130-L143 HydrophobicContact CD2-CB 4.22Å; L130-L147 HydrophobicContact CD1-CD1 3.79Å
131I91.1Very high90.9Very high53 Ų5346 Ų4627%0.27224%0.242SC..Hα-helixtrans-83.3-21.3177.871.4-178.2000113.8T23 V24 L27 S127 Y128T23-I131 HydrophobicContact CG2-CD1 4.33Å; V24-I131 HydrophobicContact CG2-CD1 3.87Å; L27-I131 HydrophobicContact CD2-CB 3.76Å; L27-I131 HydrophobicContact CD2-CD1 3.98Å; L27-I131 HydrophobicContact CD2-CG1 4.15Å; L27-I131 HydrophobicContact CD2-CG2 4.35Å; S127-I131 WeakPolarHBondContact O-CG1 3.33Å; S127-I131 WeakPolarHBondContact O-CG2 3.43Å; S127-I131 PolarHBondContact O-N 3.09Å; Y128-I131 WeakPolarHBondContact O-CG1 3.31Å; Y128-I131 PolarHBondContact O-N 3.02Å
132H91Very high90.7Very high19 Ų1945.2 Ų45.29%0.08825%0.246CC..  trans-64.8136.1-170.3-169.5-107.9000112.6L90 Y128 A134 T135 R140L90-H132 PolarHBondContact O-CE1 3.12Å; L90-H132 PolarHBondContact O-NE2 2.69Å; L90-H132 VanDerWaalsContact O-NE2 3.12Å; Y128-H132 WeakPolarHBondContact O-CB 3.3Å; Y128-H132 PolarHBondContact O-N 3.3Å; H132-A134 VanDerWaalsContact C-N 3.34Å; H132-A134 WeakPolarHBondContact CE1-CB 2.87Å; H132-A134 WeakPolarHBondContact ND1-CB 3.33Å; H132-A134 PolarHBondContact ND1-N 3.11Å; H132-A134 PolarHBondContact O-N 3.34Å; H132-T135 PolarHBondContact O-OG1 3.46Å; H132-R140 PolarHBondContact O-NH2 3.18Å
133P89.6Confident90.6Very high96 Ų9645.5 Ų45.562%0.62325%0.247SC*.THydrogen-bonded Turntrans-69.2-26.5-175.5-19.932.5000114.6P92 T135P92-P133 HydrophobicContact CG-CB 3.96Å; P133-T135 VanDerWaalsContact C-N 3.35Å; P133-T135 PolarHBondContact O-N 3.13Å
134A88.3Confident90.4Very high16 Ų1643.1 Ų43.113%0.13225%0.245CC..THydrogen-bonded Turntrans-77.5-13.1-176.300000114.8L90 P92 K98 H132L90-A134 HydrophobicContact CD2-CB 4.05Å; L90-A134 HydrophobicContact CG-CB 4.06Å; P92-A134 HydrophobicContact CB-CB 4.41Å; P92-A134 HydrophobicContact CG-CB 4.46Å; K98-A134 VanDerWaalsContact CD-O 3.3Å; K98-A134 WeakPolarHBondContact CD-O 3.5Å; H132-A134 VanDerWaalsContact C-N 3.34Å; H132-A134 WeakPolarHBondContact CE1-CB 2.87Å; H132-A134 WeakPolarHBondContact ND1-CB 3.33Å; H132-A134 PolarHBondContact ND1-N 3.11Å; H132-A134 PolarHBondContact O-N 3.34Å
135T89Confident90.1Very high6 Ų647.1 Ų47.14%0.03727%0.266CS..SBendtrans-76.4144.9173.951.60000110.4M102 A129 H132 P133 D139 R140M102-T135 HydrophobicContact CE-CG2 3.92Å; A129-T135 WeakPolarHBondContact O-CG2 3.3Å; A129-T135 PolarHBondContact O-OG1 3.23Å; H132-T135 PolarHBondContact O-OG1 3.46Å; P133-T135 VanDerWaalsContact C-N 3.35Å; P133-T135 PolarHBondContact O-N 3.13Å; T135-D139 HydrophobicContact CG2-CB 4.5Å; T135-R140 PolarHBondContact O-NH1 3.04Å; T135-R140 PolarHBondContact O-NH2 2.72Å; T135-R140 PolarHBondContact OG1-NE 3.17Å; T135-R140 PolarHBondContact OG1-NH2 3.44Å; T135-R140 VanDerWaalsContact OG1-NH2 3.1Å
136S88.3Confident89.8Confident40 Ų4050.6 Ų50.628%0.2828%0.279SS..  trans-80.6173.2176.284.40000111.2E138 D139 R140S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact OG-N 3.43Å; S136-D139 WeakPolarHBondContact CB-OD2 2.94Å; S136-D139 PolarHBondContact N-OD2 2.84Å; S136-D139 PolarHBondContact OG-N 2.64Å; S136-D139 PolarHBondContact OG-OD1 2.91Å; S136-D139 PolarHBondContact OG-OD2 3.26Å; S136-R140 WeakPolarHBondContact O-CG 3.42Å; S136-R140 PolarHBondContact O-N 3.28Å; S136-R140 PolarHBondContact O-NH1 3.25Å
137L87.1Confident89.4Confident148 Ų14852.4 Ų52.478%0.77529%0.288SS*.Hα-helixtrans-66.7-32.5173.1-176.159.9000111.9S141L137-S141 PolarHBondContact O-N 2.93Å; L137-S141 VanDerWaalsContact O-N 3.08Å
138E88.1Confident88.9Confident152 Ų15255.4 Ų55.471%0.7130%0.302SS*.Hα-helixtrans-73.6-43177.5-175.1176.2-160.100112S136 R140 S141 A142S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact OG-N 3.43Å; E138-R140 PolarHBondContact O-N 3.17Å; E138-S141 PolarHBondContact O-N 3.03Å; E138-S141 PolarHBondContact O-OG 2.73Å; E138-A142 PolarHBondContact O-N 2.94Å; E138-A142 VanDerWaalsContact O-N 3.08Å
139D89.6Confident88.3Confident23 Ų2359.3 Ų59.312%0.12332%0.321CS..Hα-helixtrans-56.9-43.4172.8-57.6-30.5000110K98 M102 T135 S136 L143K98-D139 WeakPolarHBondContact CD-OD2 3.35Å; K98-D139 WeakPolarHBondContact CE-OD2 3.35Å; K98-D139 IonicContact NZ-OD1 2.65Å; K98-D139 PolarHBondContact NZ-OD1 3.34Å; K98-D139 IonicContact NZ-OD2 2.64Å; K98-D139 PolarHBondContact NZ-OD2 3.36Å; M102-D139 HydrophobicContact SD-CB 3.88Å; T135-D139 HydrophobicContact CG2-CB 4.5Å; S136-D139 WeakPolarHBondContact CB-OD2 2.94Å; S136-D139 PolarHBondContact N-OD2 2.84Å; S136-D139 PolarHBondContact OG-N 2.64Å; S136-D139 PolarHBondContact OG-OD1 2.91Å; S136-D139 PolarHBondContact OG-OD2 3.26Å; D139-L143 WeakPolarHBondContact O-CB 3.49Å; D139-L143 VanDerWaalsContact O-CG 3.25Å; D139-L143 WeakPolarHBondContact O-CG 3.21Å; D139-L143 PolarHBondContact O-N 3.15Å
140R90.9Very high87.9Confident66 Ų6659.7 Ų59.725%0.24932%0.323CS..Hα-helixtrans-68.4-36179.1-71.7-173.9-165.681.62.7113.3L130 H132 T135 S136 E138 A144L130-R140 HydrophobicContact CD2-CB 4.02Å; L130-R140 HydrophobicContact CD2-CG 4.16Å; L130-R140 WeakPolarHBondContact CD2-O 3.23Å; L130-R140 VanDerWaalsContact O-CD 3.3Å; L130-R140 WeakPolarHBondContact O-CD 3.43Å; L130-R140 PolarHBondContact O-NE 3.11Å; H132-R140 PolarHBondContact O-NH2 3.18Å; T135-R140 PolarHBondContact O-NH1 3.04Å; T135-R140 PolarHBondContact O-NH2 2.72Å; T135-R140 PolarHBondContact OG1-NE 3.17Å; T135-R140 PolarHBondContact OG1-NH2 3.44Å; T135-R140 VanDerWaalsContact OG1-NH2 3.1Å; S136-R140 WeakPolarHBondContact O-CG 3.42Å; S136-R140 PolarHBondContact O-N 3.28Å; S136-R140 PolarHBondContact O-NH1 3.25Å; E138-R140 PolarHBondContact O-N 3.17Å; R140-A144 VanDerWaalsContact O-CB 3.25Å; R140-A144 WeakPolarHBondContact O-CB 3.21Å; R140-A144 PolarHBondContact O-N 3.25Å
141S88.6Confident87.3Confident72 Ų7262.6 Ų62.650%0.50334%0.335SS..Hα-helixtrans-70.3-37.5178.167.10000111.6L137 E138L137-S141 PolarHBondContact O-N 2.93Å; L137-S141 VanDerWaalsContact O-N 3.08Å; E138-S141 PolarHBondContact O-N 3.03Å; E138-S141 PolarHBondContact O-OG 2.73Å
142A88.6Confident86.7Confident44 Ų4465 Ų6536%0.36435%0.349SS..Hα-helixtrans-62.9-50171.700000112E138 A144 M145E138-A142 PolarHBondContact O-N 2.94Å; E138-A142 VanDerWaalsContact O-N 3.08Å; A142-A144 VanDerWaalsContact C-N 3.33Å; A142-A144 PolarHBondContact O-N 3.4Å; A142-M145 PolarHBondContact O-N 2.95Å
143L89.7Confident85.6Confident5 Ų569.1 Ų69.13%0.02636%0.363CS..Hα-helixtrans-67.6-29.8-179.5-69.3169.9000113.3M102 L105 L109 L126 A129 L130 D139 M145 W146 L147M102-L143 HydrophobicContact CE-CD1 4.46Å; M102-L143 HydrophobicContact SD-CD1 4.01Å; L105-L143 HydrophobicContact CB-CD2 4.46Å; L109-L143 HydrophobicContact CD1-CD2 4.25Å; L126-L143 HydrophobicContact CD2-CB 4.02Å; L126-L143 HydrophobicContact CD2-CD2 4.05Å; L126-L143 WeakPolarHBondContact CD2-O 3.49Å; A129-L143 HydrophobicContact CB-CD1 3.69Å; L130-L143 HydrophobicContact CD2-CB 4.22Å; D139-L143 WeakPolarHBondContact O-CB 3.49Å; D139-L143 VanDerWaalsContact O-CG 3.25Å; D139-L143 WeakPolarHBondContact O-CG 3.21Å; D139-L143 PolarHBondContact O-N 3.15Å; L143-M145 VanDerWaalsContact C-N 3.26Å; L143-M145 PolarHBondContact O-N 3.15Å; L143-W146 WeakPolarHBondContact O-CB 3.37Å; L143-W146 PolarHBondContact O-N 2.88Å; L143-L147 PolarHBondContact O-N 3.42Å
144A87.8Confident84.3Confident36 Ų3666.8 Ų66.830%0.29835%0.348SS..Hα-helixtrans-62-31.8174.900000112.8R140 A142 L147 N148R140-A144 VanDerWaalsContact O-CB 3.25Å; R140-A144 WeakPolarHBondContact O-CB 3.21Å; R140-A144 PolarHBondContact O-N 3.25Å; A142-A144 VanDerWaalsContact C-N 3.33Å; A142-A144 PolarHBondContact O-N 3.4Å; A144-L147 PolarHBondContact O-N 2.83Å; A144-N148 PolarHBondContact O-N 2.84Å; A144-N148 PolarHBondContact O-ND2 3.19Å
145M86.6Confident82.9Confident117 Ų11770.6 Ų70.658%0.57637%0.374SS*.Hα-helixtrans-66.8-40.6176.1-65.9-173.9-73.500111.8A142 L143 L147 N148 H149A142-M145 PolarHBondContact O-N 2.95Å; L143-M145 VanDerWaalsContact C-N 3.26Å; L143-M145 PolarHBondContact O-N 3.15Å; M145-L147 VanDerWaalsContact C-N 3.27Å; M145-L147 PolarHBondContact O-N 3.47Å; M145-N148 PolarHBondContact O-N 2.9Å; M145-H149 PolarHBondContact O-CD2 3.48Å; M145-H149 VanDerWaalsContact O-CD2 3.25Å; M145-H149 PolarHBondContact O-N 3.16Å
146W87.1Confident81.4Confident74 Ų7475.4 Ų75.428%0.2840%0.403SS..Hα-helixtrans-59.9-35.4174.8-71.497.7000113.2P106 L109 A110 I113 L126 L143 H149 L150P106-W146 HydrophobicContact CB-CZ2 4.08Å; L109-W146 HydrophobicContact CB-CD2 4.17Å; L109-W146 HydrophobicContact CB-CE3 3.81Å; L109-W146 HydrophobicContact CB-CZ3 4.3Å; L109-W146 HydrophobicContact CD1-CB 4.03Å; L109-W146 HydrophobicContact CD1-CD2 4.41Å; L109-W146 HydrophobicContact CD1-CG 4.07Å; A110-W146 HydrophobicContact CB-CH2 3.79Å; A110-W146 HydrophobicContact CB-CZ3 4.03Å; I113-W146 HydrophobicContact CD1-CE3 3.82Å; I113-W146 HydrophobicContact CD1-CZ3 4.16Å; L126-W146 HydrophobicContact CD1-CB 4.3Å; L126-W146 HydrophobicContact CD2-CB 4.14Å; L143-W146 WeakPolarHBondContact O-CB 3.37Å; L143-W146 PolarHBondContact O-N 2.88Å; W146-H149 PolarHBondContact O-N 3.36Å; W146-L150 PolarHBondContact O-N 3.17Å; W146-L150 VanDerWaalsContact O-N 3.13Å
147L84.1Confident79.5Confident39 Ų3976.6 Ų76.620%0.20441%0.411CS..Hα-helixtrans-65-43.2176.8-170.3149.3000112L126 L130 L143 A144 M145 H149 L150 E151L126-L147 HydrophobicContact CB-CD1 4.36Å; L126-L147 HydrophobicContact CD1-CB 4.09Å; L130-L147 HydrophobicContact CD1-CD1 3.79Å; L143-L147 PolarHBondContact O-N 3.42Å; A144-L147 PolarHBondContact O-N 2.83Å; M145-L147 VanDerWaalsContact C-N 3.27Å; M145-L147 PolarHBondContact O-N 3.47Å; L147-H149 PolarHBondContact O-N 3.41Å; L147-L150 PolarHBondContact O-N 3.46Å; L147-E151 HydrophobicContact CD2-CG 4.19Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.35Å; L147-E151 PolarHBondContact O-N 3.08Å
148N82.5Confident77.5Confident90 Ų9078.8 Ų78.848%0.48142%0.415SS..Hα-helixtrans-62-44.7176.3-68.8-95.2000111.2A144 M145 L150 E151 D152A144-N148 PolarHBondContact O-N 2.84Å; A144-N148 PolarHBondContact O-ND2 3.19Å; M145-N148 PolarHBondContact O-N 2.9Å; N148-L150 PolarHBondContact O-N 2.86Å; N148-E151 PolarHBondContact O-N 3.36Å; N148-E151 VanDerWaalsContact O-N 3.15Å; N148-D152 PolarHBondContact O-N 3.01Å
149H82.1Confident75.2Confident104 Ų10475.3 Ų75.348%0.48142%0.419SS..Hα-helixtrans-62.1-28.1177-67.9-46.4000113.7I113 M145 W146 L147 R153I113-H149 HydrophobicContact CD1-CB 4.4Å; M145-H149 PolarHBondContact O-CD2 3.48Å; M145-H149 VanDerWaalsContact O-CD2 3.25Å; M145-H149 PolarHBondContact O-N 3.16Å; W146-H149 PolarHBondContact O-N 3.36Å; L147-H149 PolarHBondContact O-N 3.41Å; H149-R153 WeakPolarHBondContact O-CB 3.1Å; H149-R153 WeakPolarHBondContact O-CG 3.22Å; H149-R153 PolarHBondContact O-N 2.92Å
150L83.4Confident72.7Confident8 Ų877.2 Ų77.24%0.04245%0.445CS..Hα-helixtrans-77.2-38.2175.2-168.9154.5000111.5I113 I119 R123 L126 W146 L147 N148 T154I113-L150 HydrophobicContact CD1-CB 4.41Å; I119-L150 HydrophobicContact CG2-CD1 4.42Å; I119-L150 HydrophobicContact CG2-CD2 3.74Å; I119-L150 HydrophobicContact CG2-CG 4Å; R123-L150 HydrophobicContact CB-CD2 4.37Å; L126-L150 HydrophobicContact CD1-CD1 4.26Å; W146-L150 PolarHBondContact O-N 3.17Å; W146-L150 VanDerWaalsContact O-N 3.13Å; L147-L150 PolarHBondContact O-N 3.46Å; N148-L150 PolarHBondContact O-N 2.86Å; L150-T154 HydrophobicContact CD2-CG2 4.32Å; L150-T154 WeakPolarHBondContact O-CG2 3.3Å; L150-T154 PolarHBondContact O-N 2.72Å; L150-T154 PolarHBondContact O-OG1 3Å
151E80.4Confident70.2Confident106 Ų10682.4 Ų82.450%0.49547%0.472SS..Hα-helixtrans-66.8-39.3173.9-70.8-173.4167.300112.7L147 N148 T154 S155L147-E151 HydrophobicContact CD2-CG 4.19Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.35Å; L147-E151 PolarHBondContact O-N 3.08Å; N148-E151 PolarHBondContact O-N 3.36Å; N148-E151 VanDerWaalsContact O-N 3.15Å; E151-T154 WeakPolarHBondContact CA-OG1 3.44Å; E151-T154 PolarHBondContact O-OG1 3Å; E151-S155 WeakPolarHBondContact O-CB 3.22Å; E151-S155 PolarHBondContact O-N 3Å; E151-S155 VanDerWaalsContact O-N 3.08Å; E151-S155 PolarHBondContact O-OG 3.16Å
152D77Confident67.4Low104 Ų10486.9 Ų86.956%0.55649%0.49SS*.Hα-helixtrans-64.4-41.7175.2-73.2-29.9000112N148 T156N148-D152 PolarHBondContact O-N 3.01Å; D152-T156 PolarHBondContact O-N 3.36Å; D152-T156 VanDerWaalsContact O-N 3.15Å; D152-T156 PolarHBondContact O-OG1 3.07Å
153R68.6Low65Low105 Ų10597 Ų9740%0.39652%0.519SS..Hα-helixtrans-74-40.5-177.8-72.4-79.5-76.5-150.2-10.2112.4I113 N116 H149 S155 T156 S157I113-R153 HydrophobicContact CG2-CG 4.19Å; I113-R153 PolarHBondContact O-NH2 3.42Å; N116-R153 PolarHBondContact ND2-NH2 3.06Å; N116-R153 PolarHBondContact OD1-NE 3.1Å; N116-R153 PolarHBondContact OD1-NH2 2.85Å; H149-R153 WeakPolarHBondContact O-CB 3.1Å; H149-R153 WeakPolarHBondContact O-CG 3.22Å; H149-R153 PolarHBondContact O-N 2.92Å; R153-S155 VanDerWaalsContact C-N 3.34Å; R153-T156 PolarHBondContact O-N 2.96Å; R153-S157 PolarHBondContact O-N 3.37Å
154T63.1Low62.1Low48 Ų48100.1 Ų100.129%0.29455%0.552SS.*Hα-helixtrans-60.9-43.5171.841.80000111.5I119 L150 E151 T156 S157 F158I119-T154 HydrophobicContact CG2-CG2 3.39Å; L150-T154 HydrophobicContact CD2-CG2 4.32Å; L150-T154 WeakPolarHBondContact O-CG2 3.3Å; L150-T154 PolarHBondContact O-N 2.72Å; L150-T154 PolarHBondContact O-OG1 3Å; E151-T154 WeakPolarHBondContact CA-OG1 3.44Å; E151-T154 PolarHBondContact O-OG1 3Å; T154-T156 PolarHBondContact O-N 3.39Å; T154-S157 PolarHBondContact O-N 3.45Å; T154-F158 WeakPolarHBondContact O-CD2 3.33Å
155S59Low59.7Low96 Ų96110.6 Ų110.667%0.67158%0.584SS**Hα-helixtrans-59.5-31.1175.1-60.10000113.4E151 R153E151-S155 WeakPolarHBondContact O-CB 3.22Å; E151-S155 PolarHBondContact O-N 3Å; E151-S155 VanDerWaalsContact O-N 3.08Å; E151-S155 PolarHBondContact O-OG 3.16Å; R153-S155 VanDerWaalsContact C-N 3.34Å
156T57.4Low56.9Low106 Ų106110.6 Ų110.665%0.6560%0.596SS**Hα-helixtrans-82.7-33.7179.7-54.40000112.8D152 R153 T154 F158 G159D152-T156 PolarHBondContact O-N 3.36Å; D152-T156 VanDerWaalsContact O-N 3.15Å; D152-T156 PolarHBondContact O-OG1 3.07Å; R153-T156 PolarHBondContact O-N 2.96Å; T154-T156 PolarHBondContact O-N 3.39Å; T156-F158 PolarHBondContact O-N 2.87Å; T156-G159 PolarHBondContact O-N 3.09Å
157S47.9Very low54.2Low65 Ų65114.6 Ų114.646%0.45562%0.623SS.*Hα-helixtrans-67.2-33.4-168.8-160.60000114.3R153 T154 G159 G160R153-S157 PolarHBondContact O-N 3.37Å; T154-S157 PolarHBondContact O-N 3.45Å; S157-G159 PolarHBondContact O-N 3.42Å; S157-G159 VanDerWaalsContact O-N 3.09Å; S157-G160 PolarHBondContact O-N 3.3Å; S157-G160 VanDerWaalsContact O-N 3.15Å
158F44.7Very low51.6Low195 Ų195118.5 Ų118.586%0.85565%0.653SS**THydrogen-bonded Turntrans-66.3-10.8-178.5-76.4-77.2000115T154 T156T154-F158 WeakPolarHBondContact O-CD2 3.33Å; T156-F158 PolarHBondContact O-N 2.87Å
159G39.9Very low49.3Very low78 Ų78120.4 Ų120.480%0.80467%0.668SS**THydrogen-bonded Turntrans-85.5-9.217400000115.3T156 S157T156-G159 PolarHBondContact O-N 3.09Å; S157-G159 PolarHBondContact O-N 3.42Å; S157-G159 VanDerWaalsContact O-N 3.09Å
160G37.2Very low46.8Very low64 Ų64122.2 Ų122.266%0.6668%0.681SS**SBendtrans-102.5-14.7-158.900000118.3S157S157-G160 PolarHBondContact O-N 3.3Å; S157-G160 VanDerWaalsContact O-N 3.15Å
161Q39.5Very low44.3Very low175 Ų175132.3 Ų132.382%0.81872%0.72SS**  trans-128.686.7-167.5-66.2-168.310.500114.4
162N28.2Very low41.9Very low165 Ų165130.3 Ų130.388%0.88273%0.728SS**  trans-157.890.5146.7-128-22.5000112.3
163R37.7Very low39.5Very low256 Ų256134.4 Ų134.497%0.96674%0.744SS**  trans-96.985.5167.1-95-168.8170.9-165.7-1.9110.1
164G30.2Very low37.5Very low71 Ų71134.6 Ų134.673%0.73276%0.757SS**  trans-75.4139.316200000110.9
165R36.4Very low35.8Very low256 Ų256139.9 Ų139.997%0.96678%0.778SS**  trans-67.8142.8171.7-76.8169.4145.5-162.9-6.1111.4
166S27.9Very low34.3Very low118 Ų118143.6 Ų143.683%0.82578%0.778SS**  trans-160.2151.8135.2-165.60000110
167D31Very low32.8Very low158 Ų158146.7 Ų146.785%0.84578%0.779SS**  trans-78.7149.1176.1-58.2-75.3000112.7
168S29.2Very low31.8Very low120 Ų120150.3 Ų150.384%0.83979%0.789SS**  trans-167.7144.5131.6-1700000111.8
169V35.3Very low30.9Very low130 Ų130148.3 Ų148.379%0.78878%0.782SS**  trans-71.8152.8167.5-132.10000110.8
170D29.1Very low30.1Very low142 Ų142154.2 Ų154.276%0.75978%0.78SS**  -173.6-177.997.4-154.611000113.6
171Y31.3Very low29.5Very low221 Ų221158.4 Ų158.487%0.86778%0.782SS**  trans-59.5169.7-177.7-79.9-142.9000115.6
172G28.4Very low28.8Very low64 Ų64156.8 Ų156.866%0.6678%0.779SS**  cis151.5160-2.800000113.5
173Q28.4Very low28.7Very low189 Ų189153.4 Ų153.488%0.88377%0.769SS**  trans64.3132.6178.2-66.7178.2-23.700116.7
174T25.6Very low28.3Very low109 Ų109147.8 Ų147.867%0.66976%0.758SS**  cis102.3136.415.8-44.30000115.1
175H28Very low28.2Very low159 Ų159149.4 Ų149.474%0.73675%0.75SS**  trans85.2146.9169.8-57.3-75000119.4
176Y26.5Very low27.9Very low175 Ų175145.6 Ų145.669%0.68674%0.74SS**  cis-172.5166.6-34.1-134.3-91.6000110.2
177Y25.5Very low28Very low171 Ų171146.4 Ų146.467%0.67174%0.735SS**  trans82.7136.1151.3-85.9-53.2000126.3
178H28.4Very low27.9Very low141 Ų141145.3 Ų145.365%0.65373%0.729SS**  trans57.7135150.7-63.9-54.1000121.3
179Q24.6Very low27.8Very low153 Ų153142.9 Ų142.972%0.71572%0.722SS**  cis100.7115.819-176.3-170.26.200115.2
180R23.3Very low27.3Very low201 Ų201148.2 Ų148.276%0.75873%0.729SS**  trans179.9131135.7-97.6177.5-159.5-83.7-0.6109.4
181Q25.2Very low27.3Very low152 Ų152148.7 Ų148.771%0.7173%0.726SS**  61.8146.796.2-66.1-178.2-44.200115.7
182N24.2Very low27Very low141 Ų141144.8 Ų144.875%0.75472%0.72SS**  cis-173.4177.5-24.6-16927.1000108
183S26.9Very low26.9Very low95 Ų95146 Ų14666%0.66472%0.719SS**  trans71149.7161.675.80000117.5
184D29Very low27Very low138 Ų138148.3 Ų148.374%0.73872%0.719SS**  cis-158176.8-12.3-129.4-56.4000113.9
185D27.9Very low26.9Very low105 Ų105150.5 Ų150.556%0.56173%0.727SS**  trans48.8115.3157.5-87.7-39.6000121.6
186K30.4Very low27Very low176 Ų176148.1 Ų148.177%0.76573%0.728SS**  65.6140.296-68.8-170.2-161.585.10114.9
187L29.6Very low26.9Very low135 Ų135143 Ų14371%0.70773%0.728SS**  -171137.252.4179.165.8000113.2
188N29.8Very low27Very low135 Ų135143.2 Ų143.272%0.72274%0.739SS**  trans56.2148.9162.9-61.8-14.6000118.8
189G26.9Very low26.8Very low68 Ų68142.1 Ų142.170%0.70175%0.747SS**  cis123.1133.215.900000108.4
190W25.1Very low26.9Very low243 Ų243143.1 Ų143.192%0.9276%0.755SS**  -152.3177.356.3-99.358000113.9
191Q27.8Very low26.9Very low152 Ų152140.6 Ų140.671%0.7176%0.757SS**  trans-105.3155-162.3-159.580.223.100114.7
192N26.6Very low26.8Very low138 Ų138137.7 Ų137.774%0.73876%0.758SS**  trans137.9128.7134.2-69.7-52.1000112.4
193S26.3Very low26.9Very low91 Ų91136.2 Ų136.264%0.63676%0.759SS**  cis81100.226.2-163.30000115.5
194R29.2Very low26.8Very low236 Ų236137.1 Ų137.189%0.89176%0.757SS**  -173.5140.5108.5-102.1172.6172.1168.3-2.8112.1
195D24.8Very low26.8Very low156 Ų156143 Ų14383%0.83477%0.769SS**  trans-122.1161.4161.7-165.1-3.4000107.6
196S28.5Very low26.7Very low108 Ų108145.3 Ų145.376%0.75578%0.776SS**  trans-162.9127.5-178.9-73.60000111.2
197G25.9Very low26.4Very low67 Ų67143 Ų14369%0.69177%0.772SS**  cis170.7-140.70.800000110.7
198I27.3Very low26.2Very low176 Ų176144.6 Ų144.690%0.90377%0.773SS**  trans76.4127.7177.7-53.9174.9000114.4
199C23.9Very low25.8Very low119 Ų119143.3 Ų143.380%0.80478%0.775SS**  trans-133.9154175.352.90000109.4
200I26Very low25.7Very low173 Ų173148.8 Ų148.889%0.88778%0.784SS**  trans-129.4144.4165-58.8-177.7000107.2
201N24.1Very low25.7Very low149 Ų149140.4 Ų140.480%0.79777%0.774SS**  trans-116.7137.7-156174.748.6000112.9
202A23.4Very low25.6Very low90 Ų90139.8 Ų139.874%0.74478%0.784SS**  trans-157.694.6164.900000113.5
203S26Very low25.4Very low111 Ų111141.1 Ų141.178%0.77679%0.786SS**  trans61.895.2139.6-53.80000120.8
204N25Very low25.4Very low114 Ų114143.7 Ų143.761%0.6179%0.793SS**  trans-39.4151.5154.7-74.8-6.1000115.2
205W27.6Very low25.2Very low262 Ų262135.6 Ų135.699%0.99278%0.782SS**  -129.4149.7114.1-86.591.1000109.5
206Q26Very low25.2Very low153 Ų153137.3 Ų137.372%0.71579%0.785SS**  trans-121.9147.3-176-62.5172.3-37.200110.1
207D24.1Very low25.3Very low126 Ų126138.6 Ų138.667%0.67479%0.788SS**  -160.9155.8126.8-144.2-10000114.4
208K25.3Very low26.5Very low169 Ų169140.3 Ų140.374%0.73579%0.787SS**  trans27.793.4162.2-75.1141.6-158138.50121.5
209S22.5Very low26.5Very low108 Ų108138.5 Ų138.576%0.75578%0.779SS**  -6.8134.4121.7-176.90000118.3
210M24.9Very low26.6Very low184 Ų184142.9 Ų142.991%0.90678%0.78SS**  -166.5148.8118.3-96.5-77.4-83.100108.7
211G23.7Very low26.5Very low67 Ų67139.3 Ų139.369%0.69177%0.77SS**  trans-153.8165.9-179.400000113.4
212C25.7Very low26.5Very low139 Ų139137.4 Ų137.494%0.93977%0.768SS**  trans-162.6157168.9-103.60000110
213E24.3Very low26.8Very low166 Ų166138.4 Ų138.478%0.77677%0.77SS**  trans-120.9168.5-175.4-59.3174.933.900113.9
214N26.1Very low26.8Very low145 Ų145138.9 Ų138.978%0.77577%0.773SS**  trans72.9141153.2-59.8-48.5000119.3
215G24.8Very low27.1Very low65 Ų65139.6 Ų139.667%0.6778%0.781SS**  trans176.6-7.4173.700000125.5
216H24.9Very low27.4Very low192 Ų192132.5 Ų132.589%0.88977%0.769SS**  trans61-176.6169.2-63.9-77.3000120.1
217V30.2Very low27.6Very low136 Ų136132.1 Ų132.182%0.82478%0.777SS**  trans-137.3179.6-164-1120000109.2
218P51.2Low28.1Very low103 Ų103131.9 Ų131.967%0.66978%0.781SS**  cis-137.2-171.9-3.427.4-2000115.9
219L27.6Very low28.5Very low138 Ų138130.4 Ų130.472%0.72378%0.779SS**  trans138.1129.1131.9-67.1177000115.9
220Y24.7Very low28.8Very low211 Ų211132.3 Ų132.383%0.82778%0.781SS**  trans17138151.7-58.8-73.8000121.1
221S24.6Very low29.1Very low98 Ų98129.7 Ų129.769%0.68578%0.776SS**  cis-162.6-1632.8-78.30000108.3
222S24.4Very low29.5Very low108 Ų108133.2 Ų133.276%0.75578%0.777SS**  cis-157.8154.517-64.10000114.3
223S30.1Very low29.7Very low112 Ų112130.2 Ų130.278%0.78377%0.769SS**  trans8.1113.5157.560.60000123.2
224S25.4Very low30Very low120 Ų120128 Ų12884%0.83977%0.767SS**  trans160.7142.5131.452.90000108.5
225V31.9Very low30.1Very low130 Ų130126.4 Ų126.479%0.78877%0.768SS**  cis-133.8150.13.1177.30000107.2
226P32.6Very low30.3Very low113 Ų113130.1 Ų130.173%0.73478%0.778SS**  trans-81.8140.4-171.431.4-36.4000115.4
227T31.2Very low30.4Very low144 Ų144126.3 Ų126.388%0.88377%0.772SS**  trans-108.4106.8161.530.90000111.2
228T33.2Very low30.4Very low122 Ų122126.8 Ų126.875%0.74878%0.776SS**  trans-123.3157.816156.50000106.4
229I33.6Very low29.3Very low137 Ų137129.5 Ų129.570%0.70378%0.783SS**  -149.6132.562.5-80.8166.3000110.8
230N29.5Very low29.3Very low149 Ų149130.4 Ų130.480%0.79779%0.788SS**SBendtrans-99.3140.7145.7-109.9-44000107.6
231T32Very low29.4Very low129 Ų129125.9 Ų125.979%0.79179%0.787SS**  trans33.7105157.6-49.60000118.6
232I32.2Very low29.3Very low141 Ų141124.9 Ų124.972%0.72379%0.792SS**  trans-128.9128151.6-63.8-177.9000110.2
233G30Very low29.4Very low75 Ų75129.4 Ų129.477%0.77380%0.801SS**  trans-137.3110.9150.300000107.6
234T29.7Very low29.3Very low120 Ų120128 Ų12874%0.73680%0.797SS**  trans-142.2137.2-179.4-40.10000111.3
235S28.8Very low29.4Very low111 Ų111130.6 Ų130.678%0.77680%0.795SS**  trans-59.8150.1168.4-42.60000112.1
236T29.3Very low29.2Very low144 Ų144133.1 Ų133.188%0.88380%0.798SS**  trans-120.1127.7165.930.30000110.9
237S25.3Very low28.8Very low111 Ų111133.1 Ų133.178%0.77680%0.801SS**  trans-161.1107.6173.159.10000110.8
238T31Very low29.3Very low147 Ų147131.9 Ų131.990%0.90280%0.795SS**  trans-138.2162.2170.540.10000109.3
239I29.1Very low29.1Very low159 Ų159133.7 Ų133.782%0.81580%0.8SS**  trans-131.9136-151.3-53.4171.4000111
240L27Very low29Very low158 Ų158135.3 Ų135.383%0.82780%0.802SS**  trans178.3144.7130.8-98.7155.3000115.2
241S25.7Very low29Very low116 Ų116140.2 Ų140.281%0.81181%0.809SS**  trans62.5114.6153.7-59.70000121.6
242G24.2Very low28.8Very low77 Ų77138.5 Ų138.579%0.79480%0.802SS**  trans-179.9133.7163.800000111.7
243Q25.9Very low28.6Very low202 Ų202139 Ų13994%0.94481%0.812SS**  trans-88173.5-172.7-73.6170.7-82.100114.5
244A27.4Very low28.7Very low84 Ų84139.9 Ų139.969%0.69481%0.806SS**  trans99.7127.4153.300000119.8
245H27.7Very low28.7Very low173 Ų173142.6 Ų142.680%0.80182%0.815SS**  trans-2.5146.5157-41.5-83.3000118.4
246H27.4Very low28.9Very low183 Ų183142.9 Ų142.985%0.84781%0.812SS**  cis-165.116242.937.8-85.3000114.4
247S25.2Very low29.3Very low114 Ų114141.9 Ų141.980%0.79781%0.808SS**  trans-90.2166.7168.7-81.20000110.6
248P41.6Very low29.7Very low117 Ų117141.9 Ų141.976%0.7681%0.805SS**  cis-136.5-159.63541.1-18.7000113.2
249L28.9Very low29.5Very low160 Ų160142.8 Ų142.884%0.83880%0.802SS**  cis-150.1-176.710.4-167.746.5000111.6
250K31.9Very low29.4Very low172 Ų172142.1 Ų142.175%0.74880%0.799SS**  trans-104.2153.9-173.7-53.1171.2-178.6175.70113.8
251R27.6Very low29.7Very low251 Ų251140.9 Ų140.995%0.94780%0.798SS**  -140.3148.5121-77.9-160.9178.578.31.6109.7
252S29.8Very low30.2Very low94 Ų94140.8 Ų140.866%0.65780%0.795SS**  trans-156.7135.6-170.5530000110.6
253V27Very low30.3Very low151 Ų151144.3 Ų144.392%0.91580%0.795SS**  trans-134.1119.5156.2-177.60000107
254S31.3Very low30.4Very low94 Ų94142.8 Ų142.866%0.65779%0.789SS**  trans-139.9150.9171.854.10000108.4
255L30.3Very low30.6Very low177 Ų177143.1 Ų143.193%0.92778%0.783SS**  trans-118.1124163.7-70.2175000107.9
256T33.6Very low30.6Very low116 Ų116142 Ų14271%0.71278%0.782SS**  trans-85.8172.2-174.629.20000111.1
257P37.5Very low30.6Very low123 Ų123136 Ų13680%0.79977%0.77SS**  cis-135.116722.440.3-22.1000118.4
258P34.2Very low30.9Very low111 Ų111138.4 Ų138.472%0.72177%0.769SS**  trans-96.9169.4171.939.6-35000113.1
259M25.6Very low30.2Very low167 Ų167134.5 Ų134.582%0.82375%0.749SS**  trans-142.8148.5156.5-100.1-61.7-83.100112.2
260N28.3Very low30.4Very low144 Ų144138.3 Ų138.377%0.7775%0.753SS**  trans-17.8147.1-174-78.4-5.7000122.4
261V33Very low30.3Very low133 Ų133138 Ų13881%0.80676%0.756SS**  trans-122.8149.2162.7-175.50000108.5
262P35.6Very low30.2Very low114 Ų114131.1 Ų131.174%0.7475%0.747SS**  trans-138.2142.5130.832.9-18.9000114.6
263N26.1Very low30.2Very low150 Ų150134.5 Ų134.580%0.80275%0.752SS**  trans16.5140.8145.2-68.3-11.6000119.9
264Q27.5Very low30.3Very low171 Ų171136 Ų13680%0.79975%0.749SS**  cis-150.5-140.818.9-153.9-167.474.800112.8
265P32.5Very low30.1Very low90 Ų90137.8 Ų137.858%0.58475%0.751SS**  trans-111.1-164.5-133.840.9-22.5000115.7
266L27.1Very low30.1Very low149 Ų149136.8 Ų136.878%0.7875%0.746SS**  trans104.889161.6-64.9147.1000119.1
267G28.9Very low29.8Very low58 Ų58143.1 Ų143.160%0.59876%0.756SS**  trans40111.3131.600000120.1G269 R571G267-G269 PolarHBondContact O-N 2.88Å; G267-R571 PolarHBondContact O-NE 3.23Å; G267-R571 VanDerWaalsContact O-NE 3.17Å; G267-R571 PolarHBondContact O-NH2 3.48Å
268H29.7Very low29.5Very low165 Ų165141.5 Ų141.576%0.76475%0.753SS**  trans-95.383.3178-66.7-89.4000113.6
269G28.1Very low29.3Very low34 Ų34148.3 Ų148.335%0.35177%0.765SS.*  trans-73.5135.8149.600000109.7G267 R571G267-G269 PolarHBondContact O-N 2.88Å; G269-R571 PolarHBondContact O-NH1 2.63Å
270W32.5Very low29.6Very low240 Ų240142.9 Ų142.991%0.90975%0.752SS**  trans-81124.7-176.9-68.883000111.6
271M29.9Very low29.9Very low165 Ų165142.2 Ų142.281%0.81376%0.755SS**  trans-150.7135.8172.8-87.3-71.6102.200109.9
272S26.7Very low29.6Very low108 Ų108144.8 Ų144.876%0.75576%0.758SS**  trans53.5123.4165.8-151.80000119.7
273H27.9Very low29.3Very low164 Ų164144.8 Ų144.876%0.75976%0.76SS**  trans-14363.9151.7-167.2-61.3000110D275H273-D275 PolarHBondContact CE1-O 3.23Å
274E29.7Very low29.5Very low184 Ų184145.7 Ų145.786%0.8676%0.764SS**  trans-109.777.4156.1-75.7-173.8117.200108.7
275D28.1Very low30.1Very low131 Ų131142.5 Ų142.570%0.70176%0.758SS**  trans-156164.4150.9-138.4-37.8000110.5H273H273-D275 PolarHBondContact CE1-O 3.23Å
276L29.1Very low30Very low155 Ų155143 Ų14381%0.81276%0.764SS**  trans54.889.7176-55.4-176.8000116.9
277R28.6Very low30Very low249 Ų249143 Ų14394%0.9476%0.764SS**  trans-108.6122.8139.9-148.3-174.8-156.3-163.67.9110
278A30.8Very low30Very low89 Ų89148.3 Ų148.374%0.73677%0.773SS**  trans36.593.5157.700000117.9G280A278-G280 PolarHBondContact O-N 3.4Å; A278-G280 VanDerWaalsContact O-N 3.16Å
279R29.5Very low30.4Very low254 Ų254144.9 Ų144.996%0.95877%0.773SS**  trans-53.6114.2146.6-176.2-178.4-168.1163.82.7108
280G32.1Very low31.6Very low53 Ų53148.7 Ų148.755%0.54679%0.792SS.*  trans-70.7159.8-175.700000113.7A278A278-G280 PolarHBondContact O-N 3.4Å; A278-G280 VanDerWaalsContact O-N 3.16Å
281P34.4Very low31.6Very low130 Ų130145 Ų14584%0.84479%0.789SS**  trans-67.1139.1171.1-15.330.2000111.4
282Q27.6Very low31.9Very low187 Ų187142.6 Ų142.687%0.87479%0.788SS**  trans-108.8143.4163.4-75.7-74.9-22.300108
283C28.6Very low33Very low114 Ų114142.3 Ų142.377%0.7778%0.784SS**  trans-98.6166.6175.3-63.70000111.2
284L31.2Very low33.2Very low169 Ų169143.4 Ų143.489%0.88579%0.79SS**  trans149.9161.8157.3-85.3168.6000109
285P40.2Very low33.4Very low105 Ų105139.4 Ų139.468%0.68278%0.782SS**  cis-126.8177.85.242.5-28.6000115.5
286S28.6Very low33.9Very low100 Ų100138.1 Ų138.170%0.69978%0.783SS**  trans60.7150.8158.4-63.80000118.8
287D27Very low34.2Very low148 Ų148137.3 Ų137.379%0.79178%0.784SS**  cis-145-176.223.8-131.8-44.4000114.6
288H30.9Very low34.4Very low171 Ų171130 Ų13079%0.79278%0.777SS**  trans-100.6140.9-165.8-75.5-97.1000118.2
289A36.3Very low34.6Very low92 Ų92131.2 Ų131.276%0.7678%0.78SS**  trans71.9167.3139.400000120.4
290P54.4Low34.9Very low115 Ų115124.4 Ų124.475%0.74777%0.771SS**  cis-113.9-172.7-14.730.2-8.7000111.1
291L33.2Very low34.8Very low163 Ų163125.8 Ų125.885%0.85379%0.786SS**  cis-146.816826.8-75.4161000112
292S34.3Very low34.8Very low113 Ų113125.4 Ų125.479%0.7979%0.786SS**  trans-104-167.1174.2-47.10000110.1
293P49.7Very low35Very low103 Ų103119.6 Ų119.667%0.66978%0.776SS**  cis-144.9-176.2141.3-19.7000117.8
294Q33.3Very low35.5Very low187 Ų187118 Ų11887%0.87478%0.78SS**  trans72.4149.7162.8-52.4-175-83.100117.2
295S33.7Very low35.6Very low99 Ų99115.2 Ų115.269%0.69277%0.774SS**  cis-147.7134.21.256.10000114.7
296S39.2Very low35.8Very low105 Ų105119 Ų11973%0.73478%0.782SS**  40.8129.9126.7-48.90000124.6
297V35.5Very low35.9Very low138 Ų138121.6 Ų121.684%0.83678%0.783SS**  trans76.6111.7135.8-60.70000125
298A31.7Very low36.7Very low94 Ų94122 Ų12278%0.77778%0.784SS**  75150.9118.400000123.7
299S34.6Very low37Very low116 Ų116121.4 Ų121.481%0.81178%0.782SS**  trans65.5158.7169.4-87.20000117.4
300S35.5Very low37.2Very low110 Ų110123.1 Ų123.177%0.76978%0.778SS**  cis-159.7165.5-26.2-102.20000108.4
301G30.5Very low36.3Very low82 Ų82125.8 Ų125.885%0.84578%0.781SS**  trans-77.7151-169.700000116.5
302S34Very low36.6Very low123 Ų123123 Ų12386%0.8677%0.771SS**  trans-141144.4153.6-152.50000105.3
303G33.1Very low37.4Very low64 Ų64123.8 Ų123.866%0.6677%0.771SS**  88.1101.555.700000106.7
304G38.8Very low38Very low82 Ų82122.5 Ų122.585%0.84577%0.769SS**  trans-75.6145.5-159.200000114.7
305S33.8Very low40Very low109 Ų109122.1 Ų122.176%0.76276%0.76SS**  trans-133.7142.8161-58.90000108.6H307S305-H307 PolarHBondContact O-N 3.2Å
306E43.1Very low42.6Very low184 Ų184120.2 Ų120.286%0.8674%0.742SS**  trans-55129.3173.247.8-97.159.100113.2
307H32.1Very low45Very low155 Ų155115.8 Ų115.872%0.71871%0.71SS**  trans-133.3134.7157.4-168.5-106.1000110.9S305 E309S305-H307 PolarHBondContact O-N 3.2Å; H307-E309 WeakPolarHBondContact ND1-CG 3.28Å; H307-E309 PolarHBondContact O-N 3.11Å
308L43.1Very low47.7Very low156 Ų156110.6 Ų110.682%0.81768%0.677SS**  trans-95.378.9-169.6-172.381.8000110.4D310L308-D310 PolarHBondContact O-N 2.96Å
309E37.3Very low50.3Low160 Ų160113.6 Ų113.675%0.74867%0.674SS**  trans-87.789169.5-62.5-148142.300110.4H307 Q311H307-E309 WeakPolarHBondContact ND1-CG 3.28Å; H307-E309 PolarHBondContact O-N 3.11Å; E309-Q311 PolarHBondContact O-N 3.5Å
310D39.6Very low52.8Low127 Ų127111.6 Ų111.668%0.67965%0.652SS**  trans-71.664.5179.3-171.527.9000112.3L308 T312L308-D310 PolarHBondContact O-N 2.96Å; D310-T312 PolarHBondContact O-N 3.15Å; D310-T312 VanDerWaalsContact OD1-CG2 3.25Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.34Å
311Q35.3Very low54.9Low171 Ų171114.1 Ų114.180%0.79965%0.652SS**  trans-79.776.1173.1-165.4135.2121.600109.8E309 T313E309-Q311 PolarHBondContact O-N 3.5Å; Q311-T313 VanDerWaalsContact C-N 3.28Å; Q311-T313 PolarHBondContact O-N 3.48Å; Q311-T313 PolarHBondContact O-OG1 3.15Å
312T41.1Very low57.3Low106 Ų106112.4 Ų112.465%0.6563%0.634SS**  trans-57.384.3177.648.20000112.1D310 A314D310-T312 PolarHBondContact O-N 3.15Å; D310-T312 VanDerWaalsContact OD1-CG2 3.25Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.34Å; T312-A314 PolarHBondContact O-N 3.46Å
313T50.9Low59.8Low129 Ų129107.2 Ų107.279%0.79160%0.598SS**  trans-68.689.1168.1-56.30000106.9Q311 R315Q311-T313 VanDerWaalsContact C-N 3.28Å; Q311-T313 PolarHBondContact O-N 3.48Å; Q311-T313 PolarHBondContact O-OG1 3.15Å; T313-R315 PolarHBondContact O-N 3.3Å
314A62.2Low62.5Low75 Ų75104.6 Ų104.662%0.6257%0.571SS**  trans-47113.1-165.100000111.7T312 N316T312-A314 PolarHBondContact O-N 3.46Å; A314-N316 PolarHBondContact O-N 3.03Å
315R75.3Confident65.1Low179 Ų179100.7 Ų100.768%0.67553%0.531SS*.  trans-55.1115.1-169.3-171.5-172.9-171.4122.1-7.3109.5T313 E320T313-R315 PolarHBondContact O-N 3.3Å; R315-E320 IonicContact CZ-OE1 2.78Å; R315-E320 IonicContact CZ-OE2 3.94Å; R315-E320 VanDerWaalsContact CZ-OE2 3.31Å; R315-E320 IonicContact NE-OE1 3.74Å; R315-E320 IonicContact NE-OE2 3.31Å; R315-E320 PolarHBondContact NE-OE2 3.21Å; R315-E320 IonicContact NH2-OE1 3.49Å; R315-E320 PolarHBondContact NH2-OE1 3.12Å; R315-E320 IonicContact NH2-OE2 2.79Å; R315-E320 PolarHBondContact NH2-OE2 2.79Å
316N88.3Confident67.9Low60 Ų6099.3 Ų99.332%0.32151%0.511SS..  trans-101.797.1-175.2-167.1-38.5000110A314 F318 Q319 S345A314-N316 PolarHBondContact O-N 3.03Å; N316-F318 PolarHBondContact O-N 3.46Å; N316-F318 VanDerWaalsContact OD1-CB 3.32Å; N316-F318 WeakPolarHBondContact OD1-CB 3.48Å; N316-F318 WeakPolarHBondContact OD1-CD2 3.29Å; N316-F318 WeakPolarHBondContact OD1-CG 3.35Å; N316-F318 PolarHBondContact OD1-N 3.26Å; N316-Q319 PolarHBondContact O-N 3.23Å; N316-S345 WeakPolarHBondContact CA-O 3.31Å; N316-S345 WeakPolarHBondContact OD1-CB 3.35Å
317T89.8Confident70.3Confident11 Ų1193.4 Ų93.47%0.06749%0.485CS..G310 helixtrans-59.8-20.4-174.4-29.10000113.1Q319 E320 S323 M325 S345 M347T317-Q319 PolarHBondContact O-N 3.28Å; T317-E320 PolarHBondContact O-N 3.29Å; T317-S323 PolarHBondContact O-OG 3.42Å; T317-S323 VanDerWaalsContact O-OG 3.13Å; T317-M325 HydrophobicContact CG2-CB 3.96Å; T317-M325 HydrophobicContact CG2-CG 3.67Å; T317-S345 PolarHBondContact N-O 3.25Å; T317-S345 PolarHBondContact OG1-O 2.89Å; T317-M347 VanDerWaalsContact CB-O 3.29Å; T317-M347 WeakPolarHBondContact CB-O 3.34Å; T317-M347 WeakPolarHBondContact CG2-O 3.31Å; T317-M347 PolarHBondContact OG1-O 3.38Å
318F92.1Very high73.4Confident30 Ų3086 Ų8613%0.13245%0.451CS..G310 helixtrans-65.2-20.8175-54.8-31.6000113.7N316 M325 V328 P329 A341 F344 S345N316-F318 PolarHBondContact O-N 3.46Å; N316-F318 VanDerWaalsContact OD1-CB 3.32Å; N316-F318 WeakPolarHBondContact OD1-CB 3.48Å; N316-F318 WeakPolarHBondContact OD1-CD2 3.29Å; N316-F318 WeakPolarHBondContact OD1-CG 3.35Å; N316-F318 PolarHBondContact OD1-N 3.26Å; F318-M325 HydrophobicContact CD1-CB 4.15Å; F318-M325 VanDerWaalsContact CD1-O 3.29Å; F318-M325 WeakPolarHBondContact CD1-O 3.48Å; F318-M325 HydrophobicContact CE1-CE 4.36Å; F318-V328 HydrophobicContact CD1-CB 4.35Å; F318-V328 HydrophobicContact CE1-CB 3.81Å; F318-V328 HydrophobicContact CE1-CG1 3.92Å; F318-V328 HydrophobicContact CZ-CG1 4.4Å; F318-P329 HydrophobicContact CB-CG 4.26Å; F318-P329 HydrophobicContact CD1-CG 3.89Å; F318-P329 HydrophobicContact CD2-CG 3.51Å; F318-P329 HydrophobicContact CE1-CG 4.01Å; F318-P329 HydrophobicContact CE2-CG 3.62Å; F318-P329 HydrophobicContact CG-CG 3.64Å; F318-P329 HydrophobicContact CZ-CG 3.86Å; F318-A341 HydrophobicContact CE2-CB 4.48Å; F318-A341 WeakPolarHBondContact CE2-O 3.36Å; F318-A341 VanDerWaalsContact CZ-O 3.23Å; F318-A341 WeakPolarHBondContact CZ-O 3.45Å; F318-F344 HydrophobicContact CE1-CB 3.95Å; F318-F344 WeakPolarHBondContact CE1-O 3.37Å; F318-F344 VanDerWaalsContact CZ-C 3.48Å; F318-F344 HydrophobicContact CZ-CB 3.78Å; F318-S345 VanDerWaalsContact CE2-CB 3.47Å; F318-S345 VanDerWaalsContact CZ-N 3.28Å
319Q86.6Confident75.9Confident157 Ų15780.2 Ų80.273%0.73442%0.423SS*.G310 helixtrans-99.3-10178.8-58.7-17413.100112.8N316 T317 E321N316-Q319 PolarHBondContact O-N 3.23Å; T317-Q319 PolarHBondContact O-N 3.28Å; Q319-E321 PolarHBondContact O-N 3.31Å
320E86.5Confident78.7Confident73 Ų7375.6 Ų75.634%0.34141%0.412SS..SBendtrans-78.8116.3-178.3-173.5164.9170.100110.5R315 T317 S323R315-E320 IonicContact CZ-OE1 2.78Å; R315-E320 IonicContact CZ-OE2 3.94Å; R315-E320 VanDerWaalsContact CZ-OE2 3.31Å; R315-E320 IonicContact NE-OE1 3.74Å; R315-E320 IonicContact NE-OE2 3.31Å; R315-E320 PolarHBondContact NE-OE2 3.21Å; R315-E320 IonicContact NH2-OE1 3.49Å; R315-E320 PolarHBondContact NH2-OE1 3.12Å; R315-E320 IonicContact NH2-OE2 2.79Å; R315-E320 PolarHBondContact NH2-OE2 2.79Å; T317-E320 PolarHBondContact O-N 3.29Å; E320-S323 WeakPolarHBondContact O-CB 3.33Å; E320-S323 PolarHBondContact O-N 3.03Å; E320-S323 PolarHBondContact O-OG 2.89Å
321E80.3Confident81.4Confident163 Ų16370.2 Ų70.276%0.76238%0.382SS*.THydrogen-bonded Turntrans-62.4142.4-179.5-63.7-166.815500111.6Q319 S323Q319-E321 PolarHBondContact O-N 3.31Å; E321-S323 PolarHBondContact O-N 2.85Å
322G79.5Confident84.4Confident46 Ų4662.1 Ų62.147%0.47434%0.344SS..THydrogen-bonded Turntrans71.2-10.3-177.800000115.9G324G322-G324 PolarHBondContact O-N 2.76Å; G322-G324 VanDerWaalsContact O-N 3.12Å
323S86.6Confident87.1Confident14 Ų1463 Ų6310%0.09834%0.339CS..SBendtrans-57.1-28.2-177.563.30000115.2T317 E320 E321 M325 Y349T317-S323 PolarHBondContact O-OG 3.42Å; T317-S323 VanDerWaalsContact O-OG 3.13Å; E320-S323 WeakPolarHBondContact O-CB 3.33Å; E320-S323 PolarHBondContact O-N 3.03Å; E320-S323 PolarHBondContact O-OG 2.89Å; E321-S323 PolarHBondContact O-N 2.85Å; S323-M325 VanDerWaalsContact C-N 3.26Å; S323-M325 PolarHBondContact OG-N 3.4Å; S323-M325 VanDerWaalsContact OG-N 3.11Å; S323-Y349 VanDerWaalsContact O-CB 3.29Å; S323-Y349 WeakPolarHBondContact O-CB 3.26Å
324G89.6Confident89.3Confident9 Ų961 Ų619%0.09333%0.331CS..SBendtrans79.60.1-16900000114.5G322G322-G324 PolarHBondContact O-N 2.76Å; G322-G324 VanDerWaalsContact O-N 3.12Å
325M94.3Very high90.9Very high0 Ų059.1 Ų59.10%031%0.31CS..  trans-94.9-14-176.4-66-61.3-76.100113.9T317 F318 S323 D327 V328 F344 M347 Y349 M352T317-M325 HydrophobicContact CG2-CB 3.96Å; T317-M325 HydrophobicContact CG2-CG 3.67Å; F318-M325 HydrophobicContact CD1-CB 4.15Å; F318-M325 VanDerWaalsContact CD1-O 3.29Å; F318-M325 WeakPolarHBondContact CD1-O 3.48Å; F318-M325 HydrophobicContact CE1-CE 4.36Å; S323-M325 VanDerWaalsContact C-N 3.26Å; S323-M325 PolarHBondContact OG-N 3.4Å; S323-M325 VanDerWaalsContact OG-N 3.11Å; M325-D327 VanDerWaalsContact C-N 3.28Å; M325-D327 PolarHBondContact O-N 3Å; M325-V328 HydrophobicContact CB-CG2 4.46Å; M325-V328 HydrophobicContact CE-CG2 4.01Å; M325-V328 VanDerWaalsContact O-CB 3.25Å; M325-V328 WeakPolarHBondContact O-CB 3.32Å; M325-V328 VanDerWaalsContact O-CG2 3.32Å; M325-V328 WeakPolarHBondContact O-CG2 3.33Å; M325-V328 PolarHBondContact O-N 2.7Å; M325-V328 HydrophobicContact SD-CG2 3.86Å; M325-F344 HydrophobicContact CE-CB 4.39Å; M325-F344 WeakPolarHBondContact CE-O 3.32Å; M325-M347 HydrophobicContact CE-CG 3.73Å; M325-M347 HydrophobicContact CE-SD 4.48Å; M325-Y349 VanDerWaalsContact SD-CA 3.51Å; M325-Y349 HydrophobicContact SD-CD2 4.42Å; M325-M352 HydrophobicContact CE-CB 4.27Å; M325-M352 HydrophobicContact CE-CE 4.39Å; M325-M352 HydrophobicContact CE-SD 3.94Å; M325-M352 HydrophobicContact SD-CB 4.24Å; M325-M352 HydrophobicContact SD-CE 3.58Å; M325-M352 VanDerWaalsContact SD-CE 3.58Å; M325-M352 HydrophobicContact SD-SD 3.95Å
326K91.9Very high91.9Very high81 Ų8161 Ų6135%0.35232%0.317SS..THydrogen-bonded Turntrans-53-37.8-175.6-162.9173-159.2166.30114.7P329 E532K326-P329 WeakPolarHBondContact O-CD 3.4Å; K326-E532 WeakPolarHBondContact CD-OE2 3.5Å; K326-E532 IonicContact NZ-OE1 3.85Å; K326-E532 PolarHBondContact NZ-OE1 3.12Å; K326-E532 IonicContact NZ-OE2 3.07Å; K326-E532 PolarHBondContact NZ-OE2 3.22Å
327D93.8Very high92.4Very high60 Ų6058.5 Ų58.532%0.32130%0.304SS..THydrogen-bonded Turntrans-87.1-10.8-178.6-57-75.6000114.1M325 P329 A330 W331M325-D327 VanDerWaalsContact C-N 3.28Å; M325-D327 PolarHBondContact O-N 3Å; D327-P329 VanDerWaalsContact C-CD 3.49Å; D327-A330 PolarHBondContact O-N 2.65Å; D327-W331 PolarHBondContact O-N 2.94Å
328V96.8Very high92.7Very high0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-56.3-41.2-178.3177.30000112.8F318 M325 A330 W331 L332 F344 M352 P414F318-V328 HydrophobicContact CD1-CB 4.35Å; F318-V328 HydrophobicContact CE1-CB 3.81Å; F318-V328 HydrophobicContact CE1-CG1 3.92Å; F318-V328 HydrophobicContact CZ-CG1 4.4Å; M325-V328 HydrophobicContact CB-CG2 4.46Å; M325-V328 HydrophobicContact CE-CG2 4.01Å; M325-V328 VanDerWaalsContact O-CB 3.25Å; M325-V328 WeakPolarHBondContact O-CB 3.32Å; M325-V328 VanDerWaalsContact O-CG2 3.32Å; M325-V328 WeakPolarHBondContact O-CG2 3.33Å; M325-V328 PolarHBondContact O-N 2.7Å; M325-V328 HydrophobicContact SD-CG2 3.86Å; V328-A330 VanDerWaalsContact C-N 3.32Å; V328-A330 PolarHBondContact O-N 2.88Å; V328-W331 HydrophobicContact CG1-CE3 4.39Å; V328-W331 PolarHBondContact O-N 3.31Å; V328-L332 HydrophobicContact CG1-CD1 3.7Å; V328-L332 HydrophobicContact CG1-CG 4Å; V328-L332 WeakPolarHBondContact O-CB 3.31Å; V328-L332 VanDerWaalsContact O-CG 3.26Å; V328-L332 WeakPolarHBondContact O-CG 3.45Å; V328-L332 PolarHBondContact O-N 3.22Å; V328-F344 HydrophobicContact CG1-CB 3.83Å; V328-F344 HydrophobicContact CG1-CD1 4.06Å; V328-F344 HydrophobicContact CG1-CG 4.06Å; V328-M352 HydrophobicContact CG1-SD 4.1Å; V328-M352 HydrophobicContact CG2-CE 3.69Å; V328-M352 HydrophobicContact CG2-SD 3.64Å; V328-P414 HydrophobicContact CB-CG 4.34Å; V328-P414 HydrophobicContact CG2-CB 3.77Å; V328-P414 HydrophobicContact CG2-CG 3.56Å
329P96.1Very high92.9Very high34 Ų3469.8 Ų69.822%0.22135%0.353CS..Hα-helixtrans-60.7-36.6174.9-2536.1000113.9F318 K326 D327 K333F318-P329 HydrophobicContact CB-CG 4.26Å; F318-P329 HydrophobicContact CD1-CG 3.89Å; F318-P329 HydrophobicContact CD2-CG 3.51Å; F318-P329 HydrophobicContact CE1-CG 4.01Å; F318-P329 HydrophobicContact CE2-CG 3.62Å; F318-P329 HydrophobicContact CG-CG 3.64Å; F318-P329 HydrophobicContact CZ-CG 3.86Å; K326-P329 WeakPolarHBondContact O-CD 3.4Å; D327-P329 VanDerWaalsContact C-CD 3.49Å; P329-K333 VanDerWaalsContact O-CG 3.29Å; P329-K333 WeakPolarHBondContact O-CG 3.43Å; P329-K333 PolarHBondContact O-N 2.85Å; P329-K333 VanDerWaalsContact O-N 3.11Å
330A95.8Very high93.4Very high63 Ų6364 Ų6452%0.52133%0.325SS..Hα-helixtrans-74.6-40.8178.500000111.4D327 V328 K333 S334D327-A330 PolarHBondContact O-N 2.65Å; V328-A330 VanDerWaalsContact C-N 3.32Å; V328-A330 PolarHBondContact O-N 2.88Å; A330-K333 WeakPolarHBondContact O-CB 3.29Å; A330-K333 PolarHBondContact O-N 3.15Å; A330-S334 PolarHBondContact O-N 2.99Å
331W97.2Very high93.9Very high13 Ų1361.5 Ų61.55%0.04932%0.317CS..Hα-helixtrans-63.2-44.7173.917972.1000112.3D327 V328 K333 S334 L335 M352 I377 L380 P414D327-W331 PolarHBondContact O-N 2.94Å; V328-W331 HydrophobicContact CG1-CE3 4.39Å; V328-W331 PolarHBondContact O-N 3.31Å; W331-K333 VanDerWaalsContact C-N 3.28Å; W331-K333 PolarHBondContact O-N 3.47Å; W331-S334 PolarHBondContact O-N 2.9Å; W331-S334 PolarHBondContact O-OG 3.32Å; W331-L335 HydrophobicContact CD2-CD1 3.81Å; W331-L335 VanDerWaalsContact CE2-CD1 3.49Å; W331-L335 HydrophobicContact CE3-CD1 4.22Å; W331-L335 HydrophobicContact CG-CD1 4.36Å; W331-L335 HydrophobicContact CH2-CD1 4.1Å; W331-L335 HydrophobicContact CZ2-CD1 3.66Å; W331-L335 HydrophobicContact CZ3-CD1 4.36Å; W331-L335 WeakPolarHBondContact O-CG 3.25Å; W331-L335 PolarHBondContact O-N 3.14Å; W331-M352 HydrophobicContact CZ3-SD 4.4Å; W331-I377 HydrophobicContact CH2-CG1 4.13Å; W331-L380 HydrophobicContact CH2-CD1 3.62Å; W331-L380 HydrophobicContact CH2-CG 4.29Å; W331-L380 HydrophobicContact CZ2-CD1 3.47Å; W331-L380 VanDerWaalsContact CZ2-CD1 3.47Å; W331-L380 HydrophobicContact CZ2-CD2 4.02Å; W331-L380 HydrophobicContact CZ2-CG 3.75Å; W331-L380 HydrophobicContact CZ3-CD1 4.3Å; W331-P414 HydrophobicContact CB-CG 4.01Å; W331-P414 HydrophobicContact CD2-CG 3.96Å; W331-P414 HydrophobicContact CE3-CG 4.02Å; W331-P414 HydrophobicContact CG-CG 4Å
332L97.8Very high94.5Very high1 Ų157 Ų571%0.00531%0.308CS..Hα-helixtrans-65.1-30.3173.6-68.3174000112.3V328 R336 L337 H338 A341 F344V328-L332 HydrophobicContact CG1-CD1 3.7Å; V328-L332 HydrophobicContact CG1-CG 4Å; V328-L332 WeakPolarHBondContact O-CB 3.31Å; V328-L332 VanDerWaalsContact O-CG 3.26Å; V328-L332 WeakPolarHBondContact O-CG 3.45Å; V328-L332 PolarHBondContact O-N 3.22Å; L332-R336 PolarHBondContact O-N 3.09Å; L332-L337 HydrophobicContact CD2-CB 3.84Å; L332-L337 CarbonylContact O-C 3.6Å; L332-L337 PolarHBondContact O-N 2.83Å; L332-H338 HydrophobicContact CB-CB 4.38Å; L332-H338 PolarHBondContact O-N 3.03Å; L332-A341 HydrophobicContact CD1-CB 4.16Å; L332-F344 HydrophobicContact CD1-CB 4.21Å; L332-F344 HydrophobicContact CD1-CD2 3.55Å; L332-F344 HydrophobicContact CD1-CE2 4.03Å; L332-F344 HydrophobicContact CD1-CG 3.9Å; L332-F344 HydrophobicContact CD2-CD2 4.43Å; L332-F344 HydrophobicContact CD2-CE2 4.08Å; L332-F344 HydrophobicContact CD2-CZ 4.31Å
333K97.5Very high95.2Very high124 Ų12456.6 Ų56.654%0.53929%0.294SS..Hα-helixtrans-64.2-48.7170.4-78.6172-177.3179.40111.1P329 A330 W331 L335 R336 H338P329-K333 VanDerWaalsContact O-CG 3.29Å; P329-K333 WeakPolarHBondContact O-CG 3.43Å; P329-K333 PolarHBondContact O-N 2.85Å; P329-K333 VanDerWaalsContact O-N 3.11Å; A330-K333 WeakPolarHBondContact O-CB 3.29Å; A330-K333 PolarHBondContact O-N 3.15Å; W331-K333 VanDerWaalsContact C-N 3.28Å; W331-K333 PolarHBondContact O-N 3.47Å; K333-L335 VanDerWaalsContact C-N 3.33Å; K333-L335 PolarHBondContact O-N 3.41Å; K333-R336 PolarHBondContact O-N 3.34Å; K333-H338 HydrophobicContact CG-CB 3.79Å
334S96.6Very high95.7Very high89 Ų8955.9 Ų55.962%0.62229%0.29SS*.Hα-helixtrans-64.5-35.7179.477.50000112.8A330 W331 R336A330-S334 PolarHBondContact O-N 2.99Å; W331-S334 PolarHBondContact O-N 2.9Å; W331-S334 PolarHBondContact O-OG 3.32Å; S334-R336 PolarHBondContact O-N 3.12Å
335L96.6Very high95.9Very high35 Ų3556.1 Ų56.118%0.18329%0.29CS..THydrogen-bonded Turntrans-74.5-5.2173.2-65.4176.5000114.3W331 K333 L337 K372W331-L335 HydrophobicContact CD2-CD1 3.81Å; W331-L335 VanDerWaalsContact CE2-CD1 3.49Å; W331-L335 HydrophobicContact CE3-CD1 4.22Å; W331-L335 HydrophobicContact CG-CD1 4.36Å; W331-L335 HydrophobicContact CH2-CD1 4.1Å; W331-L335 HydrophobicContact CZ2-CD1 3.66Å; W331-L335 HydrophobicContact CZ3-CD1 4.36Å; W331-L335 WeakPolarHBondContact O-CG 3.25Å; W331-L335 PolarHBondContact O-N 3.14Å; K333-L335 VanDerWaalsContact C-N 3.33Å; K333-L335 PolarHBondContact O-N 3.41Å; L335-L337 HydrophobicContact CB-CB 4.31Å; L335-L337 HydrophobicContact CB-CD1 3.91Å; L335-L337 HydrophobicContact CB-CG 4.16Å; L335-L337 HydrophobicContact CD1-CD1 4.17Å; L335-L337 PolarHBondContact O-N 3.23Å; L335-K372 WeakPolarHBondContact O-CE 3.38Å; L335-K372 PolarHBondContact O-NZ 3.11Å
336R97.3Very high95.8Very high217 Ų21763.2 Ų63.282%0.81932%0.323SS*.THydrogen-bonded Turntrans57.431.9-171.8-55.4174.768.1172.11.8113L332 K333 S334L332-R336 PolarHBondContact O-N 3.09Å; K333-R336 PolarHBondContact O-N 3.34Å; S334-R336 PolarHBondContact O-N 3.12Å
337L97.6Very high95.8Very high9 Ų960.2 Ų60.25%0.04731%0.31CS..  trans-1102.3179.1-73.2170.6000113.4L332 L335 K339 Y340 A369 K372 I373L332-L337 HydrophobicContact CD2-CB 3.84Å; L332-L337 CarbonylContact O-C 3.6Å; L332-L337 PolarHBondContact O-N 2.83Å; L335-L337 HydrophobicContact CB-CB 4.31Å; L335-L337 HydrophobicContact CB-CD1 3.91Å; L335-L337 HydrophobicContact CB-CG 4.16Å; L335-L337 HydrophobicContact CD1-CD1 4.17Å; L335-L337 PolarHBondContact O-N 3.23Å; L337-K339 PolarHBondContact O-N 3.28Å; L337-Y340 HydrophobicContact CD2-CD2 4.22Å; L337-Y340 HydrophobicContact CD2-CE2 4.27Å; L337-Y340 WeakPolarHBondContact O-CD2 3.41Å; L337-Y340 PolarHBondContact O-N 3.41Å; L337-A369 HydrophobicContact CD2-CB 3.98Å; L337-K372 HydrophobicContact CD1-CB 4.45Å; L337-K372 HydrophobicContact CD1-CD 4.13Å; L337-K372 HydrophobicContact CD1-CG 4.12Å; L337-K372 HydrophobicContact CD2-CD 4.29Å; L337-K372 HydrophobicContact CG-CD 4.25Å; L337-I373 HydrophobicContact CD1-CG1 3.7Å; L337-I373 HydrophobicContact CD2-CG1 4.29Å
338H96.6Very high95.8Very high107 Ų10760.1 Ų60.150%0.49531%0.312SS..G310 helixtrans-56.6-15.9-175.264.7-98.2000115.9L332 K333 Y340 A341L332-H338 HydrophobicContact CB-CB 4.38Å; L332-H338 PolarHBondContact O-N 3.03Å; K333-H338 HydrophobicContact CG-CB 3.79Å; H338-Y340 PolarHBondContact O-N 2.94Å; H338-A341 VanDerWaalsContact O-CB 3.28Å; H338-A341 WeakPolarHBondContact O-CB 3.46Å; H338-A341 PolarHBondContact O-N 3.46Å; H338-A341 VanDerWaalsContact O-N 3.08Å
339K96.6Very high95.7Very high171 Ų17161.4 Ų61.474%0.74332%0.317SS*.G310 helixtrans-52.3-33.8167.6-179.9177.3177.3-177.60112L337L337-K339 PolarHBondContact O-N 3.28Å
340Y96.8Very high95.6Very high34 Ų3464.4 Ų64.413%0.13333%0.328CS..G310 helixtrans-89.53.7-177.7-56.3-71.4000113.6L337 H338 A342 L343 F344 V365 T366 A369 I373L337-Y340 HydrophobicContact CD2-CD2 4.22Å; L337-Y340 HydrophobicContact CD2-CE2 4.27Å; L337-Y340 WeakPolarHBondContact O-CD2 3.41Å; L337-Y340 PolarHBondContact O-N 3.41Å; H338-Y340 PolarHBondContact O-N 2.94Å; Y340-A342 PolarHBondContact O-N 2.9Å; Y340-A342 VanDerWaalsContact O-N 3.1Å; Y340-L343 VanDerWaalsContact O-CB 3.29Å; Y340-L343 WeakPolarHBondContact O-CB 3.49Å; Y340-L343 PolarHBondContact O-N 3.5Å; Y340-F344 WeakPolarHBondContact O-CD2 3.46Å; Y340-V365 HydrophobicContact CD1-CG1 4.22Å; Y340-V365 HydrophobicContact CD1-CG2 3.91Å; Y340-V365 HydrophobicContact CE1-CB 4.19Å; Y340-V365 HydrophobicContact CE1-CG1 3.88Å; Y340-V365 HydrophobicContact CE1-CG2 4.05Å; Y340-V365 HydrophobicContact CE2-CG1 4.34Å; Y340-T366 PolarHBondContact OH-OG1 2.82Å; Y340-A369 HydrophobicContact CD2-CB 4.3Å; Y340-A369 HydrophobicContact CE2-CB 3.37Å; Y340-I373 HydrophobicContact CD2-CD1 4.4Å
341A96.1Very high95.5Very high21 Ų2166.3 Ų66.317%0.17433%0.326CS..Hα-helixtrans-57.3-31.3-173.700000113.9F318 L332 H338 L343 F344 S345F318-A341 HydrophobicContact CE2-CB 4.48Å; F318-A341 WeakPolarHBondContact CE2-O 3.36Å; F318-A341 VanDerWaalsContact CZ-O 3.23Å; F318-A341 WeakPolarHBondContact CZ-O 3.45Å; L332-A341 HydrophobicContact CD1-CB 4.16Å; H338-A341 VanDerWaalsContact O-CB 3.28Å; H338-A341 WeakPolarHBondContact O-CB 3.46Å; H338-A341 PolarHBondContact O-N 3.46Å; H338-A341 VanDerWaalsContact O-N 3.08Å; A341-L343 PolarHBondContact O-N 2.79Å; A341-F344 PolarHBondContact O-N 3.27Å; A341-F344 VanDerWaalsContact O-N 3.11Å; A341-S345 PolarHBondContact O-N 2.83Å
342A93.9Very high95.5Very high69 Ų6965.7 Ų65.757%0.5732%0.324SS*.Hα-helixtrans-65.3-23.2176.200000114.2Y340 S345Y340-A342 PolarHBondContact O-N 2.9Å; Y340-A342 VanDerWaalsContact O-N 3.1Å; A342-S345 WeakPolarHBondContact CA-OG 3.47Å; A342-S345 PolarHBondContact O-OG 3.3Å
343L94.7Very high95.4Very high37 Ų3767 Ų6719%0.19433%0.331CS..Hα-helixtrans-72-44.6170.5-178.963.9000110.2Y340 A341 S345 Q346 M347 L360 Q363 V365Y340-L343 VanDerWaalsContact O-CB 3.29Å; Y340-L343 WeakPolarHBondContact O-CB 3.49Å; Y340-L343 PolarHBondContact O-N 3.5Å; A341-L343 PolarHBondContact O-N 2.79Å; L343-S345 VanDerWaalsContact C-N 3.32Å; L343-S345 PolarHBondContact O-N 2.92Å; L343-Q346 PolarHBondContact O-N 3.41Å; L343-M347 HydrophobicContact CG-CE 3.99Å; L343-L360 HydrophobicContact CD2-CD2 3.89Å; L343-Q363 HydrophobicContact CD1-CB 4Å; L343-Q363 HydrophobicContact CD1-CG 3.8Å; L343-Q363 HydrophobicContact CD2-CB 4.06Å; L343-V365 HydrophobicContact CD2-CG2 4.07Å
344F95.6Very high95.3Very high0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-73.6-18-178.3-68.2-94.9000113.9F318 M325 V328 L332 Y340 A341 Q346 M347 M352 L355 I373F318-F344 HydrophobicContact CE1-CB 3.95Å; F318-F344 WeakPolarHBondContact CE1-O 3.37Å; F318-F344 VanDerWaalsContact CZ-C 3.48Å; F318-F344 HydrophobicContact CZ-CB 3.78Å; M325-F344 HydrophobicContact CE-CB 4.39Å; M325-F344 WeakPolarHBondContact CE-O 3.32Å; V328-F344 HydrophobicContact CG1-CB 3.83Å; V328-F344 HydrophobicContact CG1-CD1 4.06Å; V328-F344 HydrophobicContact CG1-CG 4.06Å; L332-F344 HydrophobicContact CD1-CB 4.21Å; L332-F344 HydrophobicContact CD1-CD2 3.55Å; L332-F344 HydrophobicContact CD1-CE2 4.03Å; L332-F344 HydrophobicContact CD1-CG 3.9Å; L332-F344 HydrophobicContact CD2-CD2 4.43Å; L332-F344 HydrophobicContact CD2-CE2 4.08Å; L332-F344 HydrophobicContact CD2-CZ 4.31Å; Y340-F344 WeakPolarHBondContact O-CD2 3.46Å; A341-F344 PolarHBondContact O-N 3.27Å; A341-F344 VanDerWaalsContact O-N 3.11Å; F344-Q346 PolarHBondContact O-N 3.26Å; F344-M347 HydrophobicContact CB-SD 4.47Å; F344-M347 HydrophobicContact CD1-CE 4.25Å; F344-M347 HydrophobicContact CD1-SD 3.55Å; F344-M347 VanDerWaalsContact CD1-SD 3.55Å; F344-M347 HydrophobicContact CE1-SD 4.09Å; F344-M347 HydrophobicContact CG-CE 4.47Å; F344-M347 HydrophobicContact CG-SD 4.19Å; F344-M352 HydrophobicContact CD1-CG 4.02Å; F344-M352 HydrophobicContact CD1-SD 3.82Å; F344-M352 HydrophobicContact CE1-CG 3.95Å; F344-M352 HydrophobicContact CE1-SD 4.09Å; F344-L355 HydrophobicContact CE1-CD1 3.72Å; F344-L355 HydrophobicContact CZ-CD1 4.16Å; F344-I373 HydrophobicContact CE2-CD1 4.23Å; F344-I373 HydrophobicContact CZ-CD1 4.2Å; F344-I373 HydrophobicContact CZ-CG1 4.37Å; F344-I373 HydrophobicContact CZ-CG2 3.86Å
345S94.4Very high95.2Very high14 Ų1460.8 Ų60.810%0.09830%0.304CS..THydrogen-bonded Turntrans-71.4-15.1174.743.60000114.2N316 T317 F318 A341 A342 L343N316-S345 WeakPolarHBondContact CA-O 3.31Å; N316-S345 WeakPolarHBondContact OD1-CB 3.35Å; T317-S345 PolarHBondContact N-O 3.25Å; T317-S345 PolarHBondContact OG1-O 2.89Å; F318-S345 VanDerWaalsContact CE2-CB 3.47Å; F318-S345 VanDerWaalsContact CZ-N 3.28Å; A341-S345 PolarHBondContact O-N 2.83Å; A342-S345 WeakPolarHBondContact CA-OG 3.47Å; A342-S345 PolarHBondContact O-OG 3.3Å; L343-S345 VanDerWaalsContact C-N 3.32Å; L343-S345 PolarHBondContact O-N 2.92Å
346Q91.4Very high95.2Very high148 Ų14862.1 Ų62.169%0.69231%0.314SS*.THydrogen-bonded Turntrans-105.1-2.9-175.3-59.1-178.822.400113.4L343 F344L343-Q346 PolarHBondContact O-N 3.41Å; F344-Q346 PolarHBondContact O-N 3.26Å
347M91.9Very high95.1Very high18 Ų1854.5 Ų54.59%0.08929%0.288CS..SBendtrans-111.2157.9-179.268.6-177.356.700111.5T317 M325 L343 F344 E351 M352 L355T317-M347 VanDerWaalsContact CB-O 3.29Å; T317-M347 WeakPolarHBondContact CB-O 3.34Å; T317-M347 WeakPolarHBondContact CG2-O 3.31Å; T317-M347 PolarHBondContact OG1-O 3.38Å; M325-M347 HydrophobicContact CE-CG 3.73Å; M325-M347 HydrophobicContact CE-SD 4.48Å; L343-M347 HydrophobicContact CG-CE 3.99Å; F344-M347 HydrophobicContact CB-SD 4.47Å; F344-M347 HydrophobicContact CD1-CE 4.25Å; F344-M347 HydrophobicContact CD1-SD 3.55Å; F344-M347 VanDerWaalsContact CD1-SD 3.55Å; F344-M347 HydrophobicContact CE1-SD 4.09Å; F344-M347 HydrophobicContact CG-CE 4.47Å; F344-M347 HydrophobicContact CG-SD 4.19Å; M347-E351 HydrophobicContact CB-CB 4.1Å; M347-M352 HydrophobicContact CG-CB 4.41Å; M347-M352 HydrophobicContact SD-CB 3.77Å; M347-M352 HydrophobicContact SD-CG 4.27Å; M347-L355 HydrophobicContact CE-CD1 4.04Å; M347-L355 HydrophobicContact CE-CD2 4.15Å; M347-L355 HydrophobicContact SD-CD1 3.85Å; M347-L355 HydrophobicContact SD-CG 4.44Å
348T94.3Very high95Very high58 Ų5858.5 Ų58.536%0.35632%0.316SS..  trans-78.8168.116860.90000112E350 E351 M352T348-E350 VanDerWaalsContact C-N 3.29Å; T348-E350 PolarHBondContact O-N 3.43Å; T348-E351 VanDerWaalsContact CB-OE2 3.32Å; T348-E351 WeakPolarHBondContact CB-OE2 3.46Å; T348-E351 WeakPolarHBondContact CG2-OE2 3.45Å; T348-E351 PolarHBondContact N-OE2 2.87Å; T348-E351 PolarHBondContact O-N 2.9Å; T348-E351 WeakPolarHBondContact OG1-CB 3.43Å; T348-E351 VanDerWaalsContact OG1-CG 3.3Å; T348-E351 WeakPolarHBondContact OG1-CG 3.41Å; T348-E351 PolarHBondContact OG1-N 3.43Å; T348-E351 VanDerWaalsContact OG1-N 3.16Å; T348-E351 PolarHBondContact OG1-OE2 2.72Å; T348-M352 WeakPolarHBondContact O-CB 3.21Å; T348-M352 PolarHBondContact O-N 2.75Å
349Y94.5Very high94.9Very high27 Ų2758 Ų5811%0.10631%0.314CS..Hα-helixtrans-64.1-36.1172.8179.7-89000111.9S323 M325 M352 M353 R383 P414 K416S323-Y349 VanDerWaalsContact O-CB 3.29Å; S323-Y349 WeakPolarHBondContact O-CB 3.26Å; M325-Y349 VanDerWaalsContact SD-CA 3.51Å; M325-Y349 HydrophobicContact SD-CD2 4.42Å; Y349-M352 HydrophobicContact CD2-CE 3.63Å; Y349-M352 HydrophobicContact CE2-CE 3.99Å; Y349-M352 HydrophobicContact CG-CE 4.44Å; Y349-M352 WeakPolarHBondContact O-CB 3.45Å; Y349-M352 PolarHBondContact O-N 3.13Å; Y349-M353 HydrophobicContact CD1-CG 4.17Å; Y349-M353 HydrophobicContact CE1-CG 3.83Å; Y349-M353 HydrophobicContact CE1-SD 4.5Å; Y349-M353 HydrophobicContact CE2-CE 4.42Å; Y349-M353 WeakPolarHBondContact O-CG 3.35Å; Y349-M353 PolarHBondContact O-N 3.42Å; Y349-R383 PolarHBondContact OH-NH2 3.3Å; Y349-P414 HydrophobicContact CE2-CB 4.36Å; Y349-K416 HydrophobicContact CD1-CB 3.86Å; Y349-K416 HydrophobicContact CD1-CD 3.74Å; Y349-K416 HydrophobicContact CD1-CG 4.41Å; Y349-K416 HydrophobicContact CD2-CB 4.19Å; Y349-K416 HydrophobicContact CE1-CB 3.85Å; Y349-K416 HydrophobicContact CE1-CD 4.43Å; Y349-K416 HydrophobicContact CE2-CB 4.18Å; Y349-K416 HydrophobicContact CG-CB 4.04Å; Y349-K416 HydrophobicContact CG-CD 4.02Å
350E93.9Very high94.9Very high97 Ų9750 Ų5045%0.45328%0.278SS..Hα-helixtrans-63-48.5175.6-75.259.8-143.300111.6T348 M352 M353 A354 K416T348-E350 VanDerWaalsContact C-N 3.29Å; T348-E350 PolarHBondContact O-N 3.43Å; E350-M352 PolarHBondContact O-N 2.98Å; E350-M353 PolarHBondContact O-N 3.18Å; E350-M353 VanDerWaalsContact O-N 3.16Å; E350-A354 PolarHBondContact O-N 3.45Å; E350-K416 WeakPolarHBondContact OE1-CD 3.31Å; E350-K416 IonicContact OE1-NZ 2.67Å; E350-K416 PolarHBondContact OE1-NZ 2.8Å; E350-K416 IonicContact OE2-NZ 3.03Å; E350-K416 PolarHBondContact OE2-NZ 3.25Å
351E95.2Very high94.8Very high103 Ų10353.2 Ų53.248%0.48130%0.295SS..Hα-helixtrans-63.2-41.2174.4-71.1162.9122.500111.6M347 T348 M353 A354 L355M347-E351 HydrophobicContact CB-CB 4.1Å; T348-E351 VanDerWaalsContact CB-OE2 3.32Å; T348-E351 WeakPolarHBondContact CB-OE2 3.46Å; T348-E351 WeakPolarHBondContact CG2-OE2 3.45Å; T348-E351 PolarHBondContact N-OE2 2.87Å; T348-E351 PolarHBondContact O-N 2.9Å; T348-E351 WeakPolarHBondContact OG1-CB 3.43Å; T348-E351 VanDerWaalsContact OG1-CG 3.3Å; T348-E351 WeakPolarHBondContact OG1-CG 3.41Å; T348-E351 PolarHBondContact OG1-N 3.43Å; T348-E351 VanDerWaalsContact OG1-N 3.16Å; T348-E351 PolarHBondContact OG1-OE2 2.72Å; E351-M353 VanDerWaalsContact C-N 3.27Å; E351-M353 PolarHBondContact O-N 2.99Å; E351-A354 WeakPolarHBondContact O-CA 3.46Å; E351-A354 PolarHBondContact O-N 3.33Å; E351-L355 PolarHBondContact O-N 2.93Å; E351-L355 VanDerWaalsContact O-N 3.1Å
352M96.3Very high94.8Very high0 Ų055.8 Ų55.80%032%0.316CS..Hα-helixtrans-58.4-38.7173-177.817664.300112M325 V328 W331 F344 M347 T348 Y349 E350 A354 L355 I377 P414M325-M352 HydrophobicContact CE-CB 4.27Å; M325-M352 HydrophobicContact CE-CE 4.39Å; M325-M352 HydrophobicContact CE-SD 3.94Å; M325-M352 HydrophobicContact SD-CB 4.24Å; M325-M352 HydrophobicContact SD-CE 3.58Å; M325-M352 VanDerWaalsContact SD-CE 3.58Å; M325-M352 HydrophobicContact SD-SD 3.95Å; V328-M352 HydrophobicContact CG1-SD 4.1Å; V328-M352 HydrophobicContact CG2-CE 3.69Å; V328-M352 HydrophobicContact CG2-SD 3.64Å; W331-M352 HydrophobicContact CZ3-SD 4.4Å; F344-M352 HydrophobicContact CD1-CG 4.02Å; F344-M352 HydrophobicContact CD1-SD 3.82Å; F344-M352 HydrophobicContact CE1-CG 3.95Å; F344-M352 HydrophobicContact CE1-SD 4.09Å; M347-M352 HydrophobicContact CG-CB 4.41Å; M347-M352 HydrophobicContact SD-CB 3.77Å; M347-M352 HydrophobicContact SD-CG 4.27Å; T348-M352 WeakPolarHBondContact O-CB 3.21Å; T348-M352 PolarHBondContact O-N 2.75Å; Y349-M352 HydrophobicContact CD2-CE 3.63Å; Y349-M352 HydrophobicContact CE2-CE 3.99Å; Y349-M352 HydrophobicContact CG-CE 4.44Å; Y349-M352 WeakPolarHBondContact O-CB 3.45Å; Y349-M352 PolarHBondContact O-N 3.13Å; E350-M352 PolarHBondContact O-N 2.98Å; M352-A354 VanDerWaalsContact C-N 3.3Å; M352-L355 HydrophobicContact CG-CD1 4.45Å; M352-I377 WeakPolarHBondContact O-CD1 3.29Å; M352-P414 HydrophobicContact CE-CB 4.17Å; M352-P414 HydrophobicContact CE-CG 4.47Å
353M95.2Very high94.8Very high30 Ų3058.2 Ų58.215%0.14832%0.316CS..Hα-helixtrans-70.5-24.9174.1-70.8-58.8100.500112.8Y349 E350 E351 I377 L380 K381Y349-M353 HydrophobicContact CD1-CG 4.17Å; Y349-M353 HydrophobicContact CE1-CG 3.83Å; Y349-M353 HydrophobicContact CE1-SD 4.5Å; Y349-M353 HydrophobicContact CE2-CE 4.42Å; Y349-M353 WeakPolarHBondContact O-CG 3.35Å; Y349-M353 PolarHBondContact O-N 3.42Å; E350-M353 PolarHBondContact O-N 3.18Å; E350-M353 VanDerWaalsContact O-N 3.16Å; E351-M353 VanDerWaalsContact C-N 3.27Å; E351-M353 PolarHBondContact O-N 2.99Å; M353-I377 HydrophobicContact CE-CG2 4.15Å; M353-I377 HydrophobicContact SD-CG2 4.43Å; M353-L380 HydrophobicContact CE-CB 4.04Å; M353-L380 HydrophobicContact CE-CD1 3.7Å; M353-L380 HydrophobicContact SD-CB 4.2Å; M353-K381 WeakPolarHBondContact O-CE 3.31Å; M353-K381 PolarHBondContact O-NZ 3.44Å; M353-K381 HydrophobicContact SD-CG 4.38Å
354A96.1Very high94.8Very high60 Ų6063.5 Ų63.550%0.49634%0.344SS..Hα-helixtrans-87.2-12.7-179.700000114.8E350 E351 M352E350-A354 PolarHBondContact O-N 3.45Å; E351-A354 WeakPolarHBondContact O-CA 3.46Å; E351-A354 PolarHBondContact O-N 3.33Å; M352-A354 VanDerWaalsContact C-N 3.3Å
355L95.2Very high94.9Very high22 Ų2263.7 Ų63.712%0.11535%0.345CS..  trans-53134.8-174-75.9171.8000115F344 M347 E351 M352 L360 I377F344-L355 HydrophobicContact CE1-CD1 3.72Å; F344-L355 HydrophobicContact CZ-CD1 4.16Å; M347-L355 HydrophobicContact CE-CD1 4.04Å; M347-L355 HydrophobicContact CE-CD2 4.15Å; M347-L355 HydrophobicContact SD-CD1 3.85Å; M347-L355 HydrophobicContact SD-CG 4.44Å; E351-L355 PolarHBondContact O-N 2.93Å; E351-L355 VanDerWaalsContact O-N 3.1Å; M352-L355 HydrophobicContact CG-CD1 4.45Å; L355-L360 HydrophobicContact CD1-CD2 4.34Å; L355-L360 HydrophobicContact CD2-CD2 4.25Å; L355-I377 HydrophobicContact CB-CD1 3.92Å; L355-I377 HydrophobicContact CD1-CD1 3.77Å; L355-I377 HydrophobicContact CG-CD1 4.46Å
356T95.5Very high95Very high63 Ų6367 Ų6739%0.38737%0.365SS..  trans-115162.9175.463.30000112C358 Q359 L360T356-C358 PolarHBondContact O-N 2.82Å; T356-Q359 PolarHBondContact O-N 2.95Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.21Å; T356-Q359 PolarHBondContact OG1-N 2.88Å; T356-Q359 PolarHBondContact OG1-OE1 3.1Å; T356-L360 WeakPolarHBondContact O-CG 3.45Å; T356-L360 PolarHBondContact O-N 3.39Å
357E95.1Very high95.2Very high56 Ų5667.5 Ų67.526%0.26237%0.365SS..Hα-helixtrans-59.9-33.9173.6-81.1-157-151.900112.6L360 E361 R370 H371 V374E357-L360 PolarHBondContact O-N 3.43Å; E357-E361 WeakPolarHBondContact O-CB 2.83Å; E357-E361 PolarHBondContact O-N 2.82Å; E357-R370 HydrophobicContact CB-CG 4.41Å; E357-R370 HydrophobicContact CG-CB 4.37Å; E357-R370 HydrophobicContact CG-CG 4.01Å; E357-R370 WeakPolarHBondContact OE2-CD 3.48Å; E357-R370 IonicContact OE2-CZ 3.19Å; E357-R370 IonicContact OE2-NE 3.37Å; E357-R370 PolarHBondContact OE2-NE 3.49Å; E357-R370 IonicContact OE2-NH2 3.84Å; E357-H371 WeakPolarHBondContact OE1-CA 3.38Å; E357-H371 WeakPolarHBondContact OE1-CB 3.16Å; E357-H371 IonicContact OE1-CE1 3.25Å; E357-H371 IonicContact OE1-CG 2.66Å; E357-H371 IonicContact OE1-ND1 3.72Å; E357-H371 PolarHBondContact OE1-ND1 3.47Å; E357-V374 HydrophobicContact CG-CB 4.47Å; E357-V374 HydrophobicContact CG-CG2 3.87Å
358C95.3Very high95.5Very high94 Ų9469.6 Ų69.664%0.63539%0.391SS*.Hα-helixtrans-65.4-44.3-179.6-172.90000112.3T356 L360 E361 A362T356-C358 PolarHBondContact O-N 2.82Å; C358-L360 VanDerWaalsContact C-N 3.3Å; C358-L360 PolarHBondContact O-N 2.9Å; C358-E361 PolarHBondContact O-N 2.72Å; C358-A362 PolarHBondContact O-N 2.94Å
359Q94.3Very high95.6Very high97 Ų9767.3 Ų67.345%0.45338%0.378SS..Hα-helixtrans-64.2-37.2176.2-71.7159-51.600111.5T356 Q363T356-Q359 PolarHBondContact O-N 2.95Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.21Å; T356-Q359 PolarHBondContact OG1-N 2.88Å; T356-Q359 PolarHBondContact OG1-OE1 3.1Å; Q359-Q363 VanDerWaalsContact O-CG 3.27Å; Q359-Q363 WeakPolarHBondContact O-CG 3.49Å; Q359-Q363 PolarHBondContact O-N 3.45Å
360L96.3Very high95.8Very high1 Ų167.3 Ų67.31%0.00538%0.378CS..Hα-helixtrans-71.5-36.1176.7-64.8169000112L343 L355 T356 E357 C358 Q363 N364 V365 R370 I373 V374L343-L360 HydrophobicContact CD2-CD2 3.89Å; L355-L360 HydrophobicContact CD1-CD2 4.34Å; L355-L360 HydrophobicContact CD2-CD2 4.25Å; T356-L360 WeakPolarHBondContact O-CG 3.45Å; T356-L360 PolarHBondContact O-N 3.39Å; E357-L360 PolarHBondContact O-N 3.43Å; C358-L360 VanDerWaalsContact C-N 3.3Å; C358-L360 PolarHBondContact O-N 2.9Å; L360-Q363 CarbonylContact O-C 3.56Å; L360-Q363 PolarHBondContact O-N 3.04Å; L360-N364 PolarHBondContact O-N 3.22Å; L360-V365 HydrophobicContact CB-CB 4.02Å; L360-V365 HydrophobicContact CB-CG1 4.47Å; L360-V365 HydrophobicContact CB-CG2 4.1Å; L360-V365 HydrophobicContact CD2-CG2 4.15Å; L360-V365 WeakPolarHBondContact O-CB 3.15Å; L360-V365 VanDerWaalsContact O-CG2 3.28Å; L360-V365 WeakPolarHBondContact O-CG2 3.44Å; L360-V365 PolarHBondContact O-N 2.92Å; L360-R370 HydrophobicContact CB-CB 3.67Å; L360-R370 HydrophobicContact CD1-CB 3.97Å; L360-R370 HydrophobicContact CG-CB 4.48Å; L360-I373 HydrophobicContact CD1-CB 3.92Å; L360-I373 HydrophobicContact CD1-CD1 4.43Å; L360-I373 HydrophobicContact CD1-CG2 3.55Å; L360-I373 HydrophobicContact CD2-CD1 4.34Å; L360-I373 HydrophobicContact CD2-CG2 4.34Å; L360-V374 HydrophobicContact CD1-CG2 3.95Å
361E96.4Very high95.9Very high103 Ų10367.5 Ų67.548%0.48138%0.378SS..Hα-helixtrans-64.3-43.7173.8-179.2151.3-131.300111.8E357 C358 Q363 N364 R370E357-E361 WeakPolarHBondContact O-CB 2.83Å; E357-E361 PolarHBondContact O-N 2.82Å; C358-E361 PolarHBondContact O-N 2.72Å; E361-Q363 PolarHBondContact O-N 2.6Å; E361-N364 PolarHBondContact O-N 2.85Å; E361-R370 VanDerWaalsContact CD-NH2 3.25Å; E361-R370 IonicContact OE1-CZ 2.75Å; E361-R370 VanDerWaalsContact OE1-CZ 3.25Å; E361-R370 IonicContact OE1-NH1 2.72Å; E361-R370 PolarHBondContact OE1-NH1 3.35Å; E361-R370 IonicContact OE1-NH2 3.1Å; E361-R370 PolarHBondContact OE1-NH2 3.26Å; E361-R370 VanDerWaalsContact OE1-NH2 3.1Å; E361-R370 IonicContact OE2-CZ 3.62Å; E361-R370 IonicContact OE2-NH1 3.53Å; E361-R370 PolarHBondContact OE2-NH1 2.77Å; E361-R370 IonicContact OE2-NH2 2.79Å; E361-R370 PolarHBondContact OE2-NH2 2.96Å
362A95.8Very high96.1Very high75 Ų7566.8 Ų66.862%0.6237%0.374SS*.Hα-helixtrans-60.4-28171.500000113.2C358 N364C358-A362 PolarHBondContact O-N 2.94Å; A362-N364 VanDerWaalsContact C-N 3.28Å; A362-N364 PolarHBondContact O-N 3.39Å
363Q93.3Very high96.1Very high119 Ų11966.9 Ų66.956%0.55637%0.374SS*.THydrogen-bonded Turntrans-90.922175.2-65.2-68.2-21.100113.1L343 Q359 L360 E361 V365L343-Q363 HydrophobicContact CD1-CB 4Å; L343-Q363 HydrophobicContact CD1-CG 3.8Å; L343-Q363 HydrophobicContact CD2-CB 4.06Å; Q359-Q363 VanDerWaalsContact O-CG 3.27Å; Q359-Q363 WeakPolarHBondContact O-CG 3.49Å; Q359-Q363 PolarHBondContact O-N 3.45Å; L360-Q363 CarbonylContact O-C 3.56Å; L360-Q363 PolarHBondContact O-N 3.04Å; E361-Q363 PolarHBondContact O-N 2.6Å; Q363-V365 HydrophobicContact CB-CG2 4.45Å; Q363-V365 PolarHBondContact O-N 2.67Å; Q363-V365 VanDerWaalsContact O-N 3.14Å
364N95.3Very high96.3Very high148 Ų14867.5 Ų67.579%0.79138%0.379SS*.THydrogen-bonded Turntrans56.925.9176.7-66.9-85.6000114.8L360 E361 A362L360-N364 PolarHBondContact O-N 3.22Å; E361-N364 PolarHBondContact O-N 2.85Å; A362-N364 VanDerWaalsContact C-N 3.28Å; A362-N364 PolarHBondContact O-N 3.39Å
365V96.8Very high96.3Very high5 Ų568.4 Ų68.43%0.0338%0.375CS..  trans-76.7127.7175.7-178.10000109.9Y340 L343 L360 Q363 A369 R370 I373Y340-V365 HydrophobicContact CD1-CG1 4.22Å; Y340-V365 HydrophobicContact CD1-CG2 3.91Å; Y340-V365 HydrophobicContact CE1-CB 4.19Å; Y340-V365 HydrophobicContact CE1-CG1 3.88Å; Y340-V365 HydrophobicContact CE1-CG2 4.05Å; Y340-V365 HydrophobicContact CE2-CG1 4.34Å; L343-V365 HydrophobicContact CD2-CG2 4.07Å; L360-V365 HydrophobicContact CB-CB 4.02Å; L360-V365 HydrophobicContact CB-CG1 4.47Å; L360-V365 HydrophobicContact CB-CG2 4.1Å; L360-V365 HydrophobicContact CD2-CG2 4.15Å; L360-V365 WeakPolarHBondContact O-CB 3.15Å; L360-V365 VanDerWaalsContact O-CG2 3.28Å; L360-V365 WeakPolarHBondContact O-CG2 3.44Å; L360-V365 PolarHBondContact O-N 2.92Å; Q363-V365 HydrophobicContact CB-CG2 4.45Å; Q363-V365 PolarHBondContact O-N 2.67Å; Q363-V365 VanDerWaalsContact O-N 3.14Å; V365-A369 HydrophobicContact CG1-CB 3.7Å; V365-R370 HydrophobicContact CB-CB 4.33Å; V365-R370 HydrophobicContact CG1-CB 3.9Å; V365-I373 HydrophobicContact CG1-CD1 4.01Å
366T97.4Very high96.4Very high83 Ų8368 Ų6851%0.50937%0.374SS..  trans-61.7147.6-176.464.90000112.2Y340 G368 A369 R370Y340-T366 PolarHBondContact OH-OG1 2.82Å; T366-G368 VanDerWaalsContact C-N 3.28Å; T366-G368 PolarHBondContact O-N 3.43Å; T366-G368 VanDerWaalsContact O-N 3.13Å; T366-A369 WeakPolarHBondContact O-CA 3.32Å; T366-A369 WeakPolarHBondContact O-CB 3.48Å; T366-A369 PolarHBondContact O-N 3.44Å; T366-A369 WeakPolarHBondContact OG1-CB 3.35Å; T366-R370 PolarHBondContact O-N 3.07Å
367K95.9Very high96.5Very high159 Ų15965.1 Ų65.169%0.69136%0.357SS*.Hα-helixtrans-49.5-43.2-175.2-173.5171.6-179.2173.90114R370 H371K367-R370 WeakPolarHBondContact O-CG 3.49Å; K367-H371 PolarHBondContact O-N 3.34Å
368G96.6Very high96.6Very high62 Ų6266.6 Ų66.664%0.63936%0.363SS*.Hα-helixtrans-70.8-28.7176.100000114.4T366 K372T366-G368 VanDerWaalsContact C-N 3.28Å; T366-G368 PolarHBondContact O-N 3.43Å; T366-G368 VanDerWaalsContact O-N 3.13Å; G368-K372 WeakPolarHBondContact O-CB 3.21Å; G368-K372 PolarHBondContact O-N 2.85Å
369A97.8Very high96.7Very high9 Ų968.5 Ų68.57%0.07436%0.361CS..Hα-helixtrans-79.8-43.6178.200000112.4L337 Y340 V365 T366 H371 K372 I373L337-A369 HydrophobicContact CD2-CB 3.98Å; Y340-A369 HydrophobicContact CD2-CB 4.3Å; Y340-A369 HydrophobicContact CE2-CB 3.37Å; V365-A369 HydrophobicContact CG1-CB 3.7Å; T366-A369 WeakPolarHBondContact O-CA 3.32Å; T366-A369 WeakPolarHBondContact O-CB 3.48Å; T366-A369 PolarHBondContact O-N 3.44Å; T366-A369 WeakPolarHBondContact OG1-CB 3.35Å; A369-H371 PolarHBondContact O-N 3.12Å; A369-K372 PolarHBondContact O-N 3.21Å; A369-I373 VanDerWaalsContact O-CG1 3.31Å; A369-I373 WeakPolarHBondContact O-CG1 3.34Å; A369-I373 PolarHBondContact O-N 2.76Å
370R97.6Very high96.8Very high27 Ų2764.3 Ų64.310%0.10234%0.342CS..Hα-helixtrans-61.6-43.9179.766.8-178.2-166.2-143.129.4111.9E357 L360 E361 V365 T366 K367 K372 I373 V374E357-R370 HydrophobicContact CB-CG 4.41Å; E357-R370 HydrophobicContact CG-CB 4.37Å; E357-R370 HydrophobicContact CG-CG 4.01Å; E357-R370 WeakPolarHBondContact OE2-CD 3.48Å; E357-R370 IonicContact OE2-CZ 3.19Å; E357-R370 IonicContact OE2-NE 3.37Å; E357-R370 PolarHBondContact OE2-NE 3.49Å; E357-R370 IonicContact OE2-NH2 3.84Å; L360-R370 HydrophobicContact CB-CB 3.67Å; L360-R370 HydrophobicContact CD1-CB 3.97Å; L360-R370 HydrophobicContact CG-CB 4.48Å; E361-R370 VanDerWaalsContact CD-NH2 3.25Å; E361-R370 IonicContact OE1-CZ 2.75Å; E361-R370 VanDerWaalsContact OE1-CZ 3.25Å; E361-R370 IonicContact OE1-NH1 2.72Å; E361-R370 PolarHBondContact OE1-NH1 3.35Å; E361-R370 IonicContact OE1-NH2 3.1Å; E361-R370 PolarHBondContact OE1-NH2 3.26Å; E361-R370 VanDerWaalsContact OE1-NH2 3.1Å; E361-R370 IonicContact OE2-CZ 3.62Å; E361-R370 IonicContact OE2-NH1 3.53Å; E361-R370 PolarHBondContact OE2-NH1 2.77Å; E361-R370 IonicContact OE2-NH2 2.79Å; E361-R370 PolarHBondContact OE2-NH2 2.96Å; V365-R370 HydrophobicContact CB-CB 4.33Å; V365-R370 HydrophobicContact CG1-CB 3.9Å; T366-R370 PolarHBondContact O-N 3.07Å; K367-R370 WeakPolarHBondContact O-CG 3.49Å; R370-K372 VanDerWaalsContact C-N 3.33Å; R370-K372 PolarHBondContact O-N 3.42Å; R370-I373 WeakPolarHBondContact O-CB 3.17Å; R370-I373 PolarHBondContact O-N 2.85Å; R370-V374 WeakPolarHBondContact O-CG2 3.17Å; R370-V374 PolarHBondContact O-N 2.96Å
371H97.6Very high96.7Very high101 Ų10169 Ų6947%0.46836%0.362SS..Hα-helixtrans-60-44.1175.8-168.566.2000111.7E357 K367 A369 V374 I375E357-H371 WeakPolarHBondContact OE1-CA 3.38Å; E357-H371 WeakPolarHBondContact OE1-CB 3.16Å; E357-H371 IonicContact OE1-CE1 3.25Å; E357-H371 IonicContact OE1-CG 2.66Å; E357-H371 IonicContact OE1-ND1 3.72Å; E357-H371 PolarHBondContact OE1-ND1 3.47Å; K367-H371 PolarHBondContact O-N 3.34Å; A369-H371 PolarHBondContact O-N 3.12Å; H371-V374 PolarHBondContact O-N 3.01Å; H371-I375 WeakPolarHBondContact NE2-CD1 3.45Å; H371-I375 WeakPolarHBondContact O-CG1 3.21Å; H371-I375 PolarHBondContact O-N 3.02Å
372K97.9Very high96.6Very high89 Ų8968.2 Ų68.239%0.38736%0.358SS..Hα-helixtrans-66-37.7176.6-167.1-179.3-174.2-1770112.8L335 L337 G368 A369 R370 S376L335-K372 WeakPolarHBondContact O-CE 3.38Å; L335-K372 PolarHBondContact O-NZ 3.11Å; L337-K372 HydrophobicContact CD1-CB 4.45Å; L337-K372 HydrophobicContact CD1-CD 4.13Å; L337-K372 HydrophobicContact CD1-CG 4.12Å; L337-K372 HydrophobicContact CD2-CD 4.29Å; L337-K372 HydrophobicContact CG-CD 4.25Å; G368-K372 WeakPolarHBondContact O-CB 3.21Å; G368-K372 PolarHBondContact O-N 2.85Å; A369-K372 PolarHBondContact O-N 3.21Å; R370-K372 VanDerWaalsContact C-N 3.33Å; R370-K372 PolarHBondContact O-N 3.42Å; K372-S376 VanDerWaalsContact O-CB 3.3Å; K372-S376 WeakPolarHBondContact O-CB 3.19Å; K372-S376 PolarHBondContact O-N 3.18Å; K372-S376 PolarHBondContact O-OG 2.9Å
373I97.9Very high96.6Very high2 Ų265.2 Ų65.21%0.0133%0.331CS..Hα-helixtrans-62-52174.6-73.8165.5000109.6L337 Y340 F344 L360 V365 A369 R370 I375 S376 I377L337-I373 HydrophobicContact CD1-CG1 3.7Å; L337-I373 HydrophobicContact CD2-CG1 4.29Å; Y340-I373 HydrophobicContact CD2-CD1 4.4Å; F344-I373 HydrophobicContact CE2-CD1 4.23Å; F344-I373 HydrophobicContact CZ-CD1 4.2Å; F344-I373 HydrophobicContact CZ-CG1 4.37Å; F344-I373 HydrophobicContact CZ-CG2 3.86Å; L360-I373 HydrophobicContact CD1-CB 3.92Å; L360-I373 HydrophobicContact CD1-CD1 4.43Å; L360-I373 HydrophobicContact CD1-CG2 3.55Å; L360-I373 HydrophobicContact CD2-CD1 4.34Å; L360-I373 HydrophobicContact CD2-CG2 4.34Å; V365-I373 HydrophobicContact CG1-CD1 4.01Å; A369-I373 VanDerWaalsContact O-CG1 3.31Å; A369-I373 WeakPolarHBondContact O-CG1 3.34Å; A369-I373 PolarHBondContact O-N 2.76Å; R370-I373 WeakPolarHBondContact O-CB 3.17Å; R370-I373 PolarHBondContact O-N 2.85Å; I373-I375 PolarHBondContact O-N 3.29Å; I373-S376 WeakPolarHBondContact O-CB 3.1Å; I373-S376 PolarHBondContact O-N 3Å; I373-I377 HydrophobicContact CG2-CD1 3.5Å; I373-I377 HydrophobicContact CG2-CG1 4.43Å; I373-I377 WeakPolarHBondContact O-CG1 3.48Å; I373-I377 PolarHBondContact O-N 2.9Å
374V97.8Very high96.7Very high42 Ų4261.8 Ų61.826%0.25532%0.315SS..Hα-helixtrans-60.8-45.6-179.4172.30000111.7E357 L360 R370 H371 S376 I377 Q378E357-V374 HydrophobicContact CG-CB 4.47Å; E357-V374 HydrophobicContact CG-CG2 3.87Å; L360-V374 HydrophobicContact CD1-CG2 3.95Å; R370-V374 WeakPolarHBondContact O-CG2 3.17Å; R370-V374 PolarHBondContact O-N 2.96Å; H371-V374 PolarHBondContact O-N 3.01Å; V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 3.21Å; V374-I377 PolarHBondContact O-N 3.18Å; V374-Q378 WeakPolarHBondContact O-CB 3.17Å; V374-Q378 PolarHBondContact O-N 2.73Å
375I97.2Very high96.6Very high79 Ų7959.6 Ų59.641%0.40530%0.303SS..Hα-helixtrans-59.8-39.3173.3-72.5174000111.6H371 I373 Q378 K379H371-I375 WeakPolarHBondContact NE2-CD1 3.45Å; H371-I375 WeakPolarHBondContact O-CG1 3.21Å; H371-I375 PolarHBondContact O-N 3.02Å; I373-I375 PolarHBondContact O-N 3.29Å; I375-Q378 PolarHBondContact O-N 2.93Å; I375-K379 WeakPolarHBondContact O-CG 3.5Å; I375-K379 PolarHBondContact O-N 3.18Å; I375-K379 VanDerWaalsContact O-N 3.1Å
376S97.8Very high96.6Very high14 Ų1462.3 Ų62.310%0.09832%0.317CS..Hα-helixtrans-68.8-38.6-179.8-56.60000111.7K372 I373 V374 K379 L380K372-S376 VanDerWaalsContact O-CB 3.3Å; K372-S376 WeakPolarHBondContact O-CB 3.19Å; K372-S376 PolarHBondContact O-N 3.18Å; K372-S376 PolarHBondContact O-OG 2.9Å; I373-S376 WeakPolarHBondContact O-CB 3.1Å; I373-S376 PolarHBondContact O-N 3Å; V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 3.21Å; S376-K379 PolarHBondContact O-N 3.26Å; S376-L380 WeakPolarHBondContact O-CG 3.36Å; S376-L380 PolarHBondContact O-N 3.42Å
377I97.3Very high96.5Very high3 Ų358.4 Ų58.42%0.01529%0.293CS..Hα-helixtrans-69.9-38.5175.4-67.2161.7000111.2W331 M352 M353 L355 I373 V374 K379 L380 K381W331-I377 HydrophobicContact CH2-CG1 4.13Å; M352-I377 WeakPolarHBondContact O-CD1 3.29Å; M353-I377 HydrophobicContact CE-CG2 4.15Å; M353-I377 HydrophobicContact SD-CG2 4.43Å; L355-I377 HydrophobicContact CB-CD1 3.92Å; L355-I377 HydrophobicContact CD1-CD1 3.77Å; L355-I377 HydrophobicContact CG-CD1 4.46Å; I373-I377 HydrophobicContact CG2-CD1 3.5Å; I373-I377 HydrophobicContact CG2-CG1 4.43Å; I373-I377 WeakPolarHBondContact O-CG1 3.48Å; I373-I377 PolarHBondContact O-N 2.9Å; V374-I377 PolarHBondContact O-N 3.18Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 2.91Å; I377-L380 WeakPolarHBondContact O-CA 3.05Å; I377-L380 VanDerWaalsContact O-CB 3.32Å; I377-L380 WeakPolarHBondContact O-CB 3.13Å; I377-L380 PolarHBondContact O-N 3.48Å; I377-K381 PolarHBondContact O-N 3.15Å; I377-K381 VanDerWaalsContact O-N 3.12Å
378Q97.1Very high96.4Very high87 Ų8755.2 Ų55.241%0.40728%0.279SS..Hα-helixtrans-59-42.8173.9178.454.22800111.1V374 I375 L380 K381 E382V374-Q378 WeakPolarHBondContact O-CB 3.17Å; V374-Q378 PolarHBondContact O-N 2.73Å; I375-Q378 PolarHBondContact O-N 2.93Å; Q378-L380 VanDerWaalsContact C-N 3.27Å; Q378-L380 PolarHBondContact O-N 2.88Å; Q378-K381 WeakPolarHBondContact O-CB 3.41Å; Q378-K381 PolarHBondContact O-N 3.2Å; Q378-E382 WeakPolarHBondContact CG-OE1 3.25Å; Q378-E382 PolarHBondContact NE2-OE1 3.18Å; Q378-E382 WeakPolarHBondContact O-CG 3.3Å; Q378-E382 PolarHBondContact O-N 3.46Å
379K96.2Very high96.3Very high134 Ų13453.9 Ų53.958%0.58326%0.26SS*.Hα-helixtrans-62.2-29.6170.7-70-173.2177.3-156.30113.8I375 S376 I377 K381 E382 R383I375-K379 WeakPolarHBondContact O-CG 3.5Å; I375-K379 PolarHBondContact O-N 3.18Å; I375-K379 VanDerWaalsContact O-N 3.1Å; S376-K379 PolarHBondContact O-N 3.26Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 2.91Å; K379-K381 VanDerWaalsContact C-N 3.32Å; K379-E382 PolarHBondContact O-N 2.84Å; K379-R383 WeakPolarHBondContact O-CG 3.47Å; K379-R383 PolarHBondContact O-N 3Å
380L96.4Very high96.2Very high9 Ų953.7 Ų53.75%0.04726%0.258CS..Hα-helixtrans-69.8-27.6173.1-62.8-171.4000112.9W331 M353 S376 I377 Q378 R383 T413W331-L380 HydrophobicContact CH2-CD1 3.62Å; W331-L380 HydrophobicContact CH2-CG 4.29Å; W331-L380 HydrophobicContact CZ2-CD1 3.47Å; W331-L380 VanDerWaalsContact CZ2-CD1 3.47Å; W331-L380 HydrophobicContact CZ2-CD2 4.02Å; W331-L380 HydrophobicContact CZ2-CG 3.75Å; W331-L380 HydrophobicContact CZ3-CD1 4.3Å; M353-L380 HydrophobicContact CE-CB 4.04Å; M353-L380 HydrophobicContact CE-CD1 3.7Å; M353-L380 HydrophobicContact SD-CB 4.2Å; S376-L380 WeakPolarHBondContact O-CG 3.36Å; S376-L380 PolarHBondContact O-N 3.42Å; I377-L380 WeakPolarHBondContact O-CA 3.05Å; I377-L380 VanDerWaalsContact O-CB 3.32Å; I377-L380 WeakPolarHBondContact O-CB 3.13Å; I377-L380 PolarHBondContact O-N 3.48Å; Q378-L380 VanDerWaalsContact C-N 3.27Å; Q378-L380 PolarHBondContact O-N 2.88Å; L380-R383 PolarHBondContact O-NE 3.34Å; L380-R383 PolarHBondContact O-NH2 3.04Å; L380-T413 HydrophobicContact CD2-CG2 3.82Å
381K94.4Very high96Very high99 Ų9954.3 Ų54.343%0.4326%0.262SS..Hα-helixtrans-75.2-42.2172.6-62.9172.4-179.8174.90111.3M353 I377 Q378 K379 R383M353-K381 WeakPolarHBondContact O-CE 3.31Å; M353-K381 PolarHBondContact O-NZ 3.44Å; M353-K381 HydrophobicContact SD-CG 4.38Å; I377-K381 PolarHBondContact O-N 3.15Å; I377-K381 VanDerWaalsContact O-N 3.12Å; Q378-K381 WeakPolarHBondContact O-CB 3.41Å; Q378-K381 PolarHBondContact O-N 3.2Å; K379-K381 VanDerWaalsContact C-N 3.32Å; K381-R383 PolarHBondContact O-N 3.44Å; K381-R383 VanDerWaalsContact O-N 3.15Å
382E95.4Very high95.8Very high86 Ų8655.2 Ų55.240%0.40226%0.261SS..Hα-helixtrans-64.2-18.3-178.3-72.1160.8-176.700114.3Q378 K379 Q384 N385 L386Q378-E382 WeakPolarHBondContact CG-OE1 3.25Å; Q378-E382 PolarHBondContact NE2-OE1 3.18Å; Q378-E382 WeakPolarHBondContact O-CG 3.3Å; Q378-E382 PolarHBondContact O-N 3.46Å; K379-E382 PolarHBondContact O-N 2.84Å; E382-Q384 VanDerWaalsContact C-N 3.26Å; E382-Q384 PolarHBondContact O-N 3.06Å; E382-Q384 VanDerWaalsContact O-N 3.15Å; E382-N385 PolarHBondContact O-N 3.49Å; E382-L386 PolarHBondContact O-N 3.37Å
383R96Very high95.4Very high12 Ų1253.3 Ų53.35%0.04526%0.255CS..Hα-helixtrans-50.1-39-179.9-71.8-179.5-65.3178.63.7114.4Y349 K379 L380 K381 L386 L387 M410 T413 P414 L493Y349-R383 PolarHBondContact OH-NH2 3.3Å; K379-R383 WeakPolarHBondContact O-CG 3.47Å; K379-R383 PolarHBondContact O-N 3Å; L380-R383 PolarHBondContact O-NE 3.34Å; L380-R383 PolarHBondContact O-NH2 3.04Å; K381-R383 PolarHBondContact O-N 3.44Å; K381-R383 VanDerWaalsContact O-N 3.15Å; R383-L386 PolarHBondContact O-N 3.04Å; R383-L387 WeakPolarHBondContact O-CG 3.45Å; R383-L387 PolarHBondContact O-N 3.26Å; R383-M410 HydrophobicContact CB-CE 3.98Å; R383-M410 HydrophobicContact CB-CG 4.47Å; R383-M410 HydrophobicContact CB-SD 3.96Å; R383-M410 HydrophobicContact CG-CE 4.07Å; R383-M410 HydrophobicContact CG-CG 4.02Å; R383-M410 HydrophobicContact CG-SD 4.14Å; R383-T413 PolarHBondContact NH1-OG1 2.84Å; R383-P414 PolarHBondContact NH1-O 2.85Å; R383-P414 PolarHBondContact NH2-O 2.8Å; R383-L493 HydrophobicContact CB-CD1 3.9Å; R383-L493 HydrophobicContact CB-CD2 4.39Å
384Q93.5Very high95.1Very high48 Ų4853.3 Ų53.322%0.22426%0.255CS..Hα-helixtrans-66.6-43.3178.7-69.5-178.7-9.700111.7E382 L386 L387 K388 G491 L493E382-Q384 VanDerWaalsContact C-N 3.26Å; E382-Q384 PolarHBondContact O-N 3.06Å; E382-Q384 VanDerWaalsContact O-N 3.15Å; Q384-L386 VanDerWaalsContact C-N 3.34Å; Q384-L387 PolarHBondContact O-N 3.15Å; Q384-K388 WeakPolarHBondContact O-CG 3.42Å; Q384-K388 PolarHBondContact O-N 3.06Å; Q384-G491 PolarHBondContact NE2-O 2.7Å; Q384-L493 HydrophobicContact CG-CD1 3.81Å
385N94.6Very high94.7Very high102 Ų10256 Ų5655%0.54527%0.267SS..Hα-helixtrans-70.1-33.4177.3-66.9-21.8000111.7E382 K388 S389E382-N385 PolarHBondContact O-N 3.49Å; N385-K388 PolarHBondContact O-N 2.74Å; N385-S389 PolarHBondContact O-N 2.88Å
386L95.5Very high94.2Very high61 Ų6158.7 Ų58.732%0.31928%0.278SS..Hα-helixtrans-61.7-48170.2-178.856.7000111.2E382 R383 Q384 K388 S389 L390 E406 M410E382-L386 PolarHBondContact O-N 3.37Å; R383-L386 PolarHBondContact O-N 3.04Å; Q384-L386 VanDerWaalsContact C-N 3.34Å; L386-K388 VanDerWaalsContact C-N 3.34Å; L386-K388 PolarHBondContact O-N 3.48Å; L386-S389 PolarHBondContact O-N 3.24Å; L386-S389 VanDerWaalsContact O-N 3.15Å; L386-L390 HydrophobicContact CD1-CD1 4.4Å; L386-L390 HydrophobicContact CD1-CD2 4.46Å; L386-L390 HydrophobicContact CD1-CG 4.18Å; L386-L390 HydrophobicContact CG-CD1 4.24Å; L386-L390 HydrophobicContact CG-CG 4.43Å; L386-L390 WeakPolarHBondContact O-CG 3.25Å; L386-L390 PolarHBondContact O-N 2.95Å; L386-E406 HydrophobicContact CD2-CB 4.41Å; L386-M410 HydrophobicContact CB-CE 4.34Å; L386-M410 HydrophobicContact CD2-CE 3.83Å; L386-M410 HydrophobicContact CG-CE 4.14Å
387L95.9Very high93.1Very high2 Ų260.5 Ų60.51%0.0130%0.299CS..Hα-helixtrans-60-40.9175.3-71.3172.3000112.7R383 Q384 S389 L390 E391 L407 M410 L493 Q496 F497 V500R383-L387 WeakPolarHBondContact O-CG 3.45Å; R383-L387 PolarHBondContact O-N 3.26Å; Q384-L387 PolarHBondContact O-N 3.15Å; L387-S389 VanDerWaalsContact C-N 3.33Å; L387-S389 PolarHBondContact O-N 3.03Å; L387-L390 PolarHBondContact O-N 2.88Å; L387-E391 PolarHBondContact O-N 2.9Å; L387-L407 HydrophobicContact CD2-CD2 3.58Å; L387-M410 HydrophobicContact CD1-SD 3.9Å; L387-M410 HydrophobicContact CD2-CE 4Å; L387-M410 HydrophobicContact CD2-SD 3.84Å; L387-M410 HydrophobicContact CG-CE 3.9Å; L387-M410 HydrophobicContact CG-SD 3.78Å; L387-L493 HydrophobicContact CD1-CD1 3.53Å; L387-Q496 HydrophobicContact CD1-CB 3.79Å; L387-F497 HydrophobicContact CD1-CB 4.16Å; L387-F497 HydrophobicContact CD2-CB 4.5Å; L387-F497 HydrophobicContact CD2-CD2 4.24Å; L387-V500 HydrophobicContact CB-CG2 4.14Å; L387-V500 HydrophobicContact CD2-CB 4.26Å; L387-V500 HydrophobicContact CD2-CG2 3.87Å
388K94.2Very high92.1Very high92 Ų9262.4 Ų62.440%0.432%0.319SS..Hα-helixtrans-60.5-39.3174.3-69.8171-174.4174.10112.1Q384 N385 L386 E490Q384-K388 WeakPolarHBondContact O-CG 3.42Å; Q384-K388 PolarHBondContact O-N 3.06Å; N385-K388 PolarHBondContact O-N 2.74Å; L386-K388 VanDerWaalsContact C-N 3.34Å; L386-K388 PolarHBondContact O-N 3.48Å; K388-E490 IonicContact NZ-OE1 3.94Å; K388-E490 PolarHBondContact NZ-OE1 2.77Å
389S94.6Very high91.5Very high34 Ų3462.4 Ų62.424%0.23833%0.329CS..Hα-helixtrans-66.1-52.1172.2-166.20000111.1N385 L386 L387 E391 R392 D393N385-S389 PolarHBondContact O-N 2.88Å; L386-S389 PolarHBondContact O-N 3.24Å; L386-S389 VanDerWaalsContact O-N 3.15Å; L387-S389 VanDerWaalsContact C-N 3.33Å; L387-S389 PolarHBondContact O-N 3.03Å; S389-E391 VanDerWaalsContact C-N 3.26Å; S389-E391 PolarHBondContact O-N 3.5Å; S389-R392 WeakPolarHBondContact O-CA 3.5Å; S389-R392 WeakPolarHBondContact O-CB 3.25Å; S389-R392 PolarHBondContact O-N 3.18Å; S389-R392 PolarHBondContact OG-NH2 3.11Å; S389-D393 PolarHBondContact O-N 2.74Å; S389-D393 PolarHBondContact OG-OD2 3.35Å
390L95.1Very high91.3Very high5 Ų556.6 Ų56.63%0.02630%0.304CS..Hα-helixtrans-57.9-37.4-177.7-65.6-179.8000112.2L386 L387 R392 D393 I394 P403 E406 L407 V500L386-L390 HydrophobicContact CD1-CD1 4.4Å; L386-L390 HydrophobicContact CD1-CD2 4.46Å; L386-L390 HydrophobicContact CD1-CG 4.18Å; L386-L390 HydrophobicContact CG-CD1 4.24Å; L386-L390 HydrophobicContact CG-CG 4.43Å; L386-L390 WeakPolarHBondContact O-CG 3.25Å; L386-L390 PolarHBondContact O-N 2.95Å; L387-L390 PolarHBondContact O-N 2.88Å; L390-R392 PolarHBondContact O-N 3.15Å; L390-D393 PolarHBondContact O-N 2.98Å; L390-I394 WeakPolarHBondContact O-CB 3.34Å; L390-I394 WeakPolarHBondContact O-CD1 3.31Å; L390-I394 WeakPolarHBondContact O-CG1 3.35Å; L390-I394 PolarHBondContact O-N 2.86Å; L390-P403 HydrophobicContact CD2-CB 4.07Å; L390-P403 HydrophobicContact CD2-CG 4.07Å; L390-E406 HydrophobicContact CD1-CB 3.99Å; L390-L407 HydrophobicContact CD1-CG 4.44Å; L390-V500 HydrophobicContact CB-CG1 4.19Å
391E93.9Very high91.1Very high39 Ų3963.9 Ų63.918%0.18233%0.331CS..Hα-helixtrans-57.8-46.1172.9178.7153.6-148.900112L387 S389 I395 R499 V500 K503L387-E391 PolarHBondContact O-N 2.9Å; S389-E391 VanDerWaalsContact C-N 3.26Å; S389-E391 PolarHBondContact O-N 3.5Å; E391-I395 HydrophobicContact CG-CD1 3.87Å; E391-I395 WeakPolarHBondContact O-CD1 3.5Å; E391-I395 WeakPolarHBondContact O-CG1 3.44Å; E391-I395 PolarHBondContact O-N 2.89Å; E391-R499 WeakPolarHBondContact OE1-CD 3.41Å; E391-R499 WeakPolarHBondContact OE1-CG 3.45Å; E391-R499 WeakPolarHBondContact OE2-CD 3.34Å; E391-V500 HydrophobicContact CB-CG2 4.14Å; E391-K503 HydrophobicContact CG-CG 4.27Å; E391-K503 WeakPolarHBondContact OE1-CE 3.34Å; E391-K503 IonicContact OE1-NZ 2.73Å
392R92.3Very high91Very high120 Ų12063.4 Ų63.445%0.45334%0.336SS..Hα-helixtrans-64.9-50.3175.7-175-162.765.3-114.7-13.2111.3S389 L390 I394 I395 E396S389-R392 WeakPolarHBondContact O-CA 3.5Å; S389-R392 WeakPolarHBondContact O-CB 3.25Å; S389-R392 PolarHBondContact O-N 3.18Å; S389-R392 PolarHBondContact OG-NH2 3.11Å; L390-R392 PolarHBondContact O-N 3.15Å; R392-I394 PolarHBondContact O-N 3.16Å; R392-I395 WeakPolarHBondContact O-CA 3.42Å; R392-I395 PolarHBondContact O-N 3.29Å; R392-E396 WeakPolarHBondContact CD-OE1 3.49Å; R392-E396 HydrophobicContact CG-CG 4.27Å; R392-E396 WeakPolarHBondContact CG-OE1 3.4Å; R392-E396 IonicContact NE-OE1 3.37Å; R392-E396 IonicContact NE-OE2 3.18Å; R392-E396 WeakPolarHBondContact O-CG 3.38Å; R392-E396 PolarHBondContact O-N 3.43Å
393D90.1Very high91Very high50 Ų5059.7 Ų59.727%0.26732%0.319SS..Hα-helixtrans-61.1-29-175.7-56.7-37.2000112.3S389 L390 G398S389-D393 PolarHBondContact O-N 2.74Å; S389-D393 PolarHBondContact OG-OD2 3.35Å; L390-D393 PolarHBondContact O-N 2.98Å; D393-G398 PolarHBondContact O-N 3.35Å
394I92.3Very high91Very high1 Ų159.2 Ų59.21%0.00532%0.318CS..Hα-helixtrans-77.1-38.5172.1-67161.4000111.8L390 R392 G397 L400 P403 V500 K503 V504 Q507L390-I394 WeakPolarHBondContact O-CB 3.34Å; L390-I394 WeakPolarHBondContact O-CD1 3.31Å; L390-I394 WeakPolarHBondContact O-CG1 3.35Å; L390-I394 PolarHBondContact O-N 2.86Å; R392-I394 PolarHBondContact O-N 3.16Å; I394-G397 PolarHBondContact O-N 3.42Å; I394-L400 HydrophobicContact CG1-CD2 4.25Å; I394-L400 HydrophobicContact CG2-CD2 4.15Å; I394-P403 HydrophobicContact CD1-CB 3.87Å; I394-P403 HydrophobicContact CD1-CG 4.21Å; I394-P403 HydrophobicContact CG1-CB 3.97Å; I394-P403 HydrophobicContact CG1-CG 3.75Å; I394-V500 HydrophobicContact CD1-CG1 3.63Å; I394-K503 HydrophobicContact CG2-CB 3.82Å; I394-V504 HydrophobicContact CD1-CG2 3.5Å; I394-V504 VanDerWaalsContact CD1-CG2 3.5Å; I394-V504 HydrophobicContact CG1-CG2 4.42Å; I394-Q507 HydrophobicContact CG2-CB 4.37Å; I394-Q507 HydrophobicContact CG2-CG 3.6Å; I394-Q507 PolarHBondContact O-NE2 3.49Å
395I88.8Confident91.1Very high99 Ų9962.1 Ų62.151%0.50833%0.332SS..Hα-helixtrans-68.7-36.2178.5-70.7165000110.9E391 R392 G397 K503E391-I395 HydrophobicContact CG-CD1 3.87Å; E391-I395 WeakPolarHBondContact O-CD1 3.5Å; E391-I395 WeakPolarHBondContact O-CG1 3.44Å; E391-I395 PolarHBondContact O-N 2.89Å; R392-I395 WeakPolarHBondContact O-CA 3.42Å; R392-I395 PolarHBondContact O-N 3.29Å; I395-G397 PolarHBondContact O-N 2.93Å; I395-G397 VanDerWaalsContact O-N 3.16Å; I395-K503 HydrophobicContact CD1-CD 4.31Å; I395-K503 HydrophobicContact CG1-CD 4.23Å
396E86.5Confident91.3Very high135 Ų13560 Ų6063%0.63132%0.318SS*.THydrogen-bonded Turntrans-70-2.4176.1-70.3172.217900113.9R392R392-E396 WeakPolarHBondContact CD-OE1 3.49Å; R392-E396 HydrophobicContact CG-CG 4.27Å; R392-E396 WeakPolarHBondContact CG-OE1 3.4Å; R392-E396 IonicContact NE-OE1 3.37Å; R392-E396 IonicContact NE-OE2 3.18Å; R392-E396 WeakPolarHBondContact O-CG 3.38Å; R392-E396 PolarHBondContact O-N 3.43Å
397G74.1Confident91.3Very high52 Ų5257.1 Ų57.154%0.53630%0.303SS..THydrogen-bonded Turntrans84.420173.300000115.1I394 I395I394-G397 PolarHBondContact O-N 3.42Å; I395-G397 PolarHBondContact O-N 2.93Å; I395-G397 VanDerWaalsContact O-N 3.16Å
398G76.4Confident91.4Very high43 Ų4358 Ų5844%0.44331%0.307SS..  trans-68.7171.6178.300000114.9D393 L400D393-G398 PolarHBondContact O-N 3.35Å; G398-L400 PolarHBondContact O-N 3.38Å
399S86.2Confident91.5Very high87 Ų8758.3 Ų58.361%0.60831%0.31SS*.  trans-67.2120.4177.4-176.90000111.8R401 P403S399-R401 PolarHBondContact O-N 3.17Å; S399-P403 WeakPolarHBondContact O-CD 3.43Å
400L91.4Very high91.6Very high13 Ų1357 Ų577%0.06830%0.3CS..THydrogen-bonded Turntrans-61.4-14.7-179.4-63.1177.9000114.6I394 G398 V402 P403 L404 Q507 L508I394-L400 HydrophobicContact CG1-CD2 4.25Å; I394-L400 HydrophobicContact CG2-CD2 4.15Å; G398-L400 PolarHBondContact O-N 3.38Å; L400-V402 VanDerWaalsContact C-N 3.34Å; L400-V402 PolarHBondContact O-N 3.45Å; L400-P403 WeakPolarHBondContact O-CD 3.31Å; L400-L404 HydrophobicContact CB-CD1 4.23Å; L400-L404 VanDerWaalsContact O-CB 3.31Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 VanDerWaalsContact O-CG 3.29Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 2.9Å; L400-Q507 HydrophobicContact CD1-CB 3.97Å; L400-Q507 HydrophobicContact CD2-CB 3.87Å; L400-Q507 HydrophobicContact CD2-CG 4.35Å; L400-Q507 HydrophobicContact CG-CB 4.39Å; L400-L508 HydrophobicContact CD1-CD2 3.58Å; L400-L508 HydrophobicContact CD1-CG 3.83Å
401R91.7Very high91.6Very high162 Ų16257.2 Ų57.261%0.61130%0.301SS*.Hα-helixtrans-57.9-42.1-177.9-168.3-178.2-168.8-165.27.2113S399 Q405S399-R401 PolarHBondContact O-N 3.17Å; R401-Q405 WeakPolarHBondContact O-CB 3.41Å; R401-Q405 PolarHBondContact O-N 2.89Å; R401-Q405 VanDerWaalsContact O-N 3.07Å
402V93.4Very high91.7Very high89 Ų8959.9 Ų59.954%0.53932%0.316SS..Hα-helixtrans-73.4-50-179.4175.30000111.5L400 L404 Q405 E406L400-V402 VanDerWaalsContact C-N 3.34Å; L400-V402 PolarHBondContact O-N 3.45Å; V402-L404 VanDerWaalsContact C-N 3.34Å; V402-L404 PolarHBondContact O-N 3.05Å; V402-Q405 PolarHBondContact O-N 2.72Å; V402-Q405 VanDerWaalsContact O-N 3.16Å; V402-E406 PolarHBondContact O-N 2.87Å
403P94.7Very high91.9Very high7 Ų755.1 Ų55.15%0.04530%0.301CS..Hα-helixtrans-54.1-44.8171.8-25.330.6000114.1L390 I394 S399 L400 Q405 E406 L407L390-P403 HydrophobicContact CD2-CB 4.07Å; L390-P403 HydrophobicContact CD2-CG 4.07Å; I394-P403 HydrophobicContact CD1-CB 3.87Å; I394-P403 HydrophobicContact CD1-CG 4.21Å; I394-P403 HydrophobicContact CG1-CB 3.97Å; I394-P403 HydrophobicContact CG1-CG 3.75Å; S399-P403 WeakPolarHBondContact O-CD 3.43Å; L400-P403 WeakPolarHBondContact O-CD 3.31Å; P403-Q405 VanDerWaalsContact C-N 3.35Å; P403-Q405 PolarHBondContact O-N 3.33Å; P403-E406 PolarHBondContact O-N 3.29Å; P403-L407 WeakPolarHBondContact O-CB 3.2Å; P403-L407 WeakPolarHBondContact O-CD1 3.21Å; P403-L407 WeakPolarHBondContact O-CG 3.2Å; P403-L407 PolarHBondContact O-N 3.04Å
404L95.9Very high92.1Very high2 Ų252.8 Ų52.81%0.0129%0.288CS..Hα-helixtrans-61.2-41.5176.8-76.8169.9000112.4L400 V402 H408 V504 N517 Y521 L524L400-L404 HydrophobicContact CB-CD1 4.23Å; L400-L404 VanDerWaalsContact O-CB 3.31Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 VanDerWaalsContact O-CG 3.29Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 2.9Å; V402-L404 VanDerWaalsContact C-N 3.34Å; V402-L404 PolarHBondContact O-N 3.05Å; L404-H408 WeakPolarHBondContact O-CB 3.34Å; L404-H408 PolarHBondContact O-N 3Å; L404-V504 HydrophobicContact CD2-CG1 3.94Å; L404-V504 HydrophobicContact CG-CG1 4.35Å; L404-N517 HydrophobicContact CD1-CB 3.86Å; L404-Y521 HydrophobicContact CD2-CD2 3.94Å; L404-Y521 HydrophobicContact CD2-CG 4.44Å; L404-L524 HydrophobicContact CD2-CD2 4.07Å
405Q96.3Very high92.2Very high110 Ų11053 Ų5351%0.51429%0.289SS..Hα-helixtrans-63.3-47.2177.1-175.6-177-71.600112.1R401 V402 P403 H408 Q409R401-Q405 WeakPolarHBondContact O-CB 3.41Å; R401-Q405 PolarHBondContact O-N 2.89Å; R401-Q405 VanDerWaalsContact O-N 3.07Å; V402-Q405 PolarHBondContact O-N 2.72Å; V402-Q405 VanDerWaalsContact O-N 3.16Å; P403-Q405 VanDerWaalsContact C-N 3.35Å; P403-Q405 PolarHBondContact O-N 3.33Å; Q405-H408 WeakPolarHBondContact O-CB 3.4Å; Q405-H408 PolarHBondContact O-N 2.93Å; Q405-Q409 PolarHBondContact O-N 3Å
406E97Very high92.4Very high57 Ų5751.3 Ų51.327%0.26628%0.278SS..Hα-helixtrans-69.2-40.8-178.3-68.8-50.5124.700112L386 L390 V402 P403 H408 Q409 M410L386-E406 HydrophobicContact CD2-CB 4.41Å; L390-E406 HydrophobicContact CD1-CB 3.99Å; V402-E406 PolarHBondContact O-N 2.87Å; P403-E406 PolarHBondContact O-N 3.29Å; E406-H408 VanDerWaalsContact C-N 3.27Å; E406-H408 PolarHBondContact O-N 3.3Å; E406-Q409 PolarHBondContact O-N 2.95Å; E406-Q409 VanDerWaalsContact O-N 3.1Å; E406-M410 WeakPolarHBondContact O-CB 3.05Å; E406-M410 PolarHBondContact O-N 3.07Å
407L97.6Very high92.4Very high0 Ų046.9 Ų46.90%027%0.265CS..Hα-helixtrans-60.2-37.9171-66.8165.7000111.6L387 L390 P403 Q409 M410 I411 F497 V500 M501 V504 L524L387-L407 HydrophobicContact CD2-CD2 3.58Å; L390-L407 HydrophobicContact CD1-CG 4.44Å; P403-L407 WeakPolarHBondContact O-CB 3.2Å; P403-L407 WeakPolarHBondContact O-CD1 3.21Å; P403-L407 WeakPolarHBondContact O-CG 3.2Å; P403-L407 PolarHBondContact O-N 3.04Å; L407-Q409 PolarHBondContact O-N 3.22Å; L407-M410 PolarHBondContact O-N 2.78Å; L407-I411 WeakPolarHBondContact O-CG2 3.36Å; L407-I411 PolarHBondContact O-N 3.46Å; L407-F497 HydrophobicContact CB-CE2 4.09Å; L407-F497 HydrophobicContact CB-CZ 3.94Å; L407-F497 HydrophobicContact CD2-CD1 4.49Å; L407-F497 HydrophobicContact CD2-CD2 3.74Å; L407-F497 HydrophobicContact CD2-CE1 4.29Å; L407-F497 HydrophobicContact CD2-CE2 3.52Å; L407-F497 HydrophobicContact CD2-CG 4.24Å; L407-F497 HydrophobicContact CD2-CZ 3.82Å; L407-F497 HydrophobicContact CG-CE2 4.43Å; L407-F497 HydrophobicContact CG-CZ 4.46Å; L407-V500 HydrophobicContact CD1-CG1 3.96Å; L407-V500 HydrophobicContact CD2-CB 4.46Å; L407-V500 HydrophobicContact CD2-CG1 4.12Å; L407-V500 HydrophobicContact CG-CG1 4.5Å; L407-M501 HydrophobicContact CD1-SD 4.12Å; L407-V504 HydrophobicContact CD1-CG2 4.21Å; L407-L524 HydrophobicContact CB-CD1 4.31Å; L407-L524 HydrophobicContact CB-CD2 3.59Å; L407-L524 HydrophobicContact CD1-CD2 4.07Å; L407-L524 HydrophobicContact CG-CD2 4.48Å
408H97.1Very high93Very high21 Ų2147.7 Ų47.710%0.09725%0.252CS..Hα-helixtrans-67.1-27.8173.7-96.1-39.3000114.5L404 Q405 E406 L412 S520 Q523 L524 K527L404-H408 WeakPolarHBondContact O-CB 3.34Å; L404-H408 PolarHBondContact O-N 3Å; Q405-H408 WeakPolarHBondContact O-CB 3.4Å; Q405-H408 PolarHBondContact O-N 2.93Å; E406-H408 VanDerWaalsContact C-N 3.27Å; E406-H408 PolarHBondContact O-N 3.3Å; H408-L412 WeakPolarHBondContact O-CD1 3.29Å; H408-L412 WeakPolarHBondContact O-CG 3.44Å; H408-S520 PolarHBondContact CD2-OG 3.05Å; H408-S520 PolarHBondContact NE2-O 3.39Å; H408-Q523 WeakPolarHBondContact NE2-CB 3.4Å; H408-Q523 PolarHBondContact NE2-O 2.94Å; H408-L524 WeakPolarHBondContact CE1-CD1 3.46Å; H408-L524 WeakPolarHBondContact ND1-CD1 3.33Å; H408-L524 WeakPolarHBondContact NE2-CA 3.4Å; H408-L524 VanDerWaalsContact NE2-CB 3.3Å; H408-L524 WeakPolarHBondContact NE2-CB 3.41Å; H408-L524 PolarHBondContact NE2-N 3.43Å; H408-K527 WeakPolarHBondContact CE1-CD 3.34Å; H408-K527 PolarHBondContact CE1-NZ 3.15Å; H408-K527 PolarHBondContact ND1-NZ 2.97Å
409Q95.9Very high92.9Very high98 Ų9848.5 Ų48.546%0.45826%0.26SS..Hα-helixtrans-76.7-42.3169.2-61.9-46.9-79.700110.6Q405 E406 L407 I411 L412Q405-Q409 PolarHBondContact O-N 3Å; E406-Q409 PolarHBondContact O-N 2.95Å; E406-Q409 VanDerWaalsContact O-N 3.1Å; L407-Q409 PolarHBondContact O-N 3.22Å; Q409-I411 PolarHBondContact O-N 2.99Å; Q409-L412 WeakPolarHBondContact O-CB 3.31Å; Q409-L412 PolarHBondContact O-N 3.39Å; Q409-L412 VanDerWaalsContact O-N 3.09Å
410M96.8Very high91.4Very high7 Ų748.8 Ų48.83%0.03426%0.263CS..Hα-helixtrans-64.1-40.6-175.1-168.6177.5-56.100112.8R383 L386 L387 E406 L407 L412 T413 L493 F497R383-M410 HydrophobicContact CB-CE 3.98Å; R383-M410 HydrophobicContact CB-CG 4.47Å; R383-M410 HydrophobicContact CB-SD 3.96Å; R383-M410 HydrophobicContact CG-CE 4.07Å; R383-M410 HydrophobicContact CG-CG 4.02Å; R383-M410 HydrophobicContact CG-SD 4.14Å; L386-M410 HydrophobicContact CB-CE 4.34Å; L386-M410 HydrophobicContact CD2-CE 3.83Å; L386-M410 HydrophobicContact CG-CE 4.14Å; L387-M410 HydrophobicContact CD1-SD 3.9Å; L387-M410 HydrophobicContact CD2-CE 4Å; L387-M410 HydrophobicContact CD2-SD 3.84Å; L387-M410 HydrophobicContact CG-CE 3.9Å; L387-M410 HydrophobicContact CG-SD 3.78Å; E406-M410 WeakPolarHBondContact O-CB 3.05Å; E406-M410 PolarHBondContact O-N 3.07Å; L407-M410 PolarHBondContact O-N 2.78Å; M410-L412 PolarHBondContact O-N 2.92Å; M410-L412 VanDerWaalsContact O-N 3.11Å; M410-T413 PolarHBondContact O-N 3.3Å; M410-T413 PolarHBondContact O-OG1 3.42Å; M410-L493 HydrophobicContact SD-CD1 4.45Å; M410-F497 HydrophobicContact CB-CE2 4.15Å; M410-F497 HydrophobicContact CG-CD2 4.36Å; M410-F497 HydrophobicContact CG-CE2 4.31Å; M410-F497 HydrophobicContact SD-CD2 3.91Å; M410-F497 HydrophobicContact SD-CE2 4.31Å
411I96.3Very high89.4Confident9 Ų952.9 Ų52.95%0.04629%0.29CS..THydrogen-bonded Turntrans-68-4.6175.6-161.958000114L407 Q409 I415 F497 L524 K527 H531 F534L407-I411 WeakPolarHBondContact O-CG2 3.36Å; L407-I411 PolarHBondContact O-N 3.46Å; Q409-I411 PolarHBondContact O-N 2.99Å; I411-I415 HydrophobicContact CD1-CD1 4.45Å; I411-F497 HydrophobicContact CB-CE2 4.38Å; I411-F497 HydrophobicContact CB-CZ 4.12Å; I411-F497 HydrophobicContact CD1-CZ 4.42Å; I411-L524 HydrophobicContact CB-CD1 4.34Å; I411-L524 HydrophobicContact CG2-CD1 3.83Å; I411-K527 HydrophobicContact CG1-CB 3.88Å; I411-K527 HydrophobicContact CG2-CB 4.32Å; I411-K527 HydrophobicContact CG2-CD 3.75Å; I411-H531 HydrophobicContact CD1-CB 4.27Å; I411-F534 HydrophobicContact CD1-CE2 3.49Å; I411-F534 VanDerWaalsContact CD1-CE2 3.49Å; I411-F534 HydrophobicContact CD1-CZ 3.96Å
412L94.9Very high86.8Confident96 Ų9650.1 Ų50.150%0.50330%0.295SS..THydrogen-bonded Turntrans-105.213.9173.7-58.4175.3000112.2H408 Q409 M410H408-L412 WeakPolarHBondContact O-CD1 3.29Å; H408-L412 WeakPolarHBondContact O-CG 3.44Å; Q409-L412 WeakPolarHBondContact O-CB 3.31Å; Q409-L412 PolarHBondContact O-N 3.39Å; Q409-L412 VanDerWaalsContact O-N 3.09Å; M410-L412 PolarHBondContact O-N 2.92Å; M410-L412 VanDerWaalsContact O-N 3.11Å
413T96.3Very high83.7Confident20 Ų2052.5 Ų52.512%0.12331%0.31CS..SBendtrans-113.1155.1176.265.90000110.9L380 R383 M410 I415L380-T413 HydrophobicContact CD2-CG2 3.82Å; R383-T413 PolarHBondContact NH1-OG1 2.84Å; M410-T413 PolarHBondContact O-N 3.3Å; M410-T413 PolarHBondContact O-OG1 3.42Å; T413-I415 WeakPolarHBondContact O-CG1 3.35Å; T413-I415 PolarHBondContact O-N 3.36Å
414P95.2Very high80.5Confident0 Ų058.4 Ų58.40%035%0.346CS..  trans-63.4118-179.1-20.232.7000111.3V328 W331 Y349 M352 R383V328-P414 HydrophobicContact CB-CG 4.34Å; V328-P414 HydrophobicContact CG2-CB 3.77Å; V328-P414 HydrophobicContact CG2-CG 3.56Å; W331-P414 HydrophobicContact CB-CG 4.01Å; W331-P414 HydrophobicContact CD2-CG 3.96Å; W331-P414 HydrophobicContact CE3-CG 4.02Å; W331-P414 HydrophobicContact CG-CG 4Å; Y349-P414 HydrophobicContact CE2-CB 4.36Å; M352-P414 HydrophobicContact CE-CB 4.17Å; M352-P414 HydrophobicContact CE-CG 4.47Å; R383-P414 PolarHBondContact NH1-O 2.85Å; R383-P414 PolarHBondContact NH2-O 2.8Å
415I94.4Very high77.9Confident5 Ų564.3 Ų64.33%0.02639%0.385CS..  trans-118.4123.5178.1-63.3163.2000107.3I411 T413 L493 P494 A533I411-I415 HydrophobicContact CD1-CD1 4.45Å; T413-I415 WeakPolarHBondContact O-CG1 3.35Å; T413-I415 PolarHBondContact O-N 3.36Å; I415-L493 HydrophobicContact CG1-CD2 4.07Å; I415-L493 HydrophobicContact CG2-CD2 4.23Å; I415-P494 HydrophobicContact CG2-CG 3.88Å; I415-A533 HydrophobicContact CB-CB 4.23Å; I415-A533 HydrophobicContact CG2-CB 3.73Å; I415-A533 WeakPolarHBondContact O-CB 3.39Å
416K91.7Very high74.9Confident64 Ų6468.2 Ų68.228%0.27840%0.403SS..  trans-80.2144.9171.5-167.2171.9-178.5178.80110.4Y349 E350Y349-K416 HydrophobicContact CD1-CB 3.86Å; Y349-K416 HydrophobicContact CD1-CD 3.74Å; Y349-K416 HydrophobicContact CD1-CG 4.41Å; Y349-K416 HydrophobicContact CD2-CB 4.19Å; Y349-K416 HydrophobicContact CE1-CB 3.85Å; Y349-K416 HydrophobicContact CE1-CD 4.43Å; Y349-K416 HydrophobicContact CE2-CB 4.18Å; Y349-K416 HydrophobicContact CG-CB 4.04Å; Y349-K416 HydrophobicContact CG-CD 4.02Å; E350-K416 WeakPolarHBondContact OE1-CD 3.31Å; E350-K416 IonicContact OE1-NZ 2.67Å; E350-K416 PolarHBondContact OE1-NZ 2.8Å; E350-K416 IonicContact OE2-NZ 3.03Å; E350-K416 PolarHBondContact OE2-NZ 3.25Å
417A88.2Confident71.7Confident42 Ų4270 Ų7035%0.34743%0.427SS..  trans-63.7138.5171.400000110G419 A533A417-G419 PolarHBondContact O-N 3.5Å; A417-A533 HydrophobicContact CB-CB 4.39Å
418Y85.1Confident68.6Low69 Ų6981 Ų8127%0.27147%0.469SS..  trans-77.5111176.9-178.8-102.6000110.9P421 P489 D492Y418-P421 WeakPolarHBondContact OH-CD 3.36Å; Y418-P489 HydrophobicContact CE1-CG 3.76Å; Y418-P489 HydrophobicContact CE2-CG 4.32Å; Y418-P489 VanDerWaalsContact CZ-CG 3.49Å; Y418-P489 VanDerWaalsContact OH-CB 3.29Å; Y418-P489 WeakPolarHBondContact OH-CB 3.3Å; Y418-P489 WeakPolarHBondContact OH-CG 3.44Å; Y418-D492 WeakPolarHBondContact CB-OD1 3.32Å; Y418-D492 HydrophobicContact CD1-CB 3.96Å; Y418-D492 HydrophobicContact CD2-CB 3.73Å; Y418-D492 HydrophobicContact CE1-CB 4.3Å; Y418-D492 HydrophobicContact CE2-CB 4.09Å; Y418-D492 HydrophobicContact CG-CB 3.66Å
419G74.1Confident65.6Low60 Ų6086.3 Ų86.362%0.61951%0.505SS*.PPolyproline II helixtrans-93.6128.6164.200000109.8A417A417-G419 PolarHBondContact O-N 3.5Å
420S55.8Low62.5Low94 Ų9493.5 Ų93.566%0.65753%0.528SS*.PPolyproline II helixtrans-67.4126.217851.80000111.3S422S420-S422 PolarHBondContact O-N 3.24Å
421P48.3Very low59.2Low98 Ų98101.8 Ų101.864%0.63657%0.567SS**PPolyproline II helixtrans-68.4122.6172.928.1-31.6000110.1Y418Y418-P421 WeakPolarHBondContact OH-CD 3.36Å
422S38Very low56.4Low104 Ų104107.3 Ų107.373%0.72760%0.603SS**  trans56.3113.5173.360.20000118.7S420S420-S422 PolarHBondContact O-N 3.24Å
423T27.8Very low53.2Low140 Ų140112.4 Ų112.486%0.85962%0.624SS**SBend-105.9165.195.148.20000109.1
424T28.2Very low50.2Low131 Ų131116 Ų11680%0.80466%0.656SS**  trans-69.8150.7-169.324.50000114.2
425P42Very low47.7Very low125 Ų125122 Ų12281%0.81270%0.695SS**  trans-88.6109.5-178.633.7-32.4000112.5
426E32.3Very low44.5Very low193 Ų193134 Ų13490%0.90274%0.74SS**  trans-150.1166.2161.1-136.8-165.9116.200113
427A30.8Very low41.5Very low93 Ų93140.2 Ų140.277%0.76977%0.77SS**  trans65.7123177.300000118.1
428R31Very low39.5Very low233 Ų233143.7 Ų143.788%0.87979%0.789SS**  trans-70.4154.7173.7-61.5169.3-177.8154.9-0.1111.1
429P34.7Very low36.8Very low132 Ų132145.9 Ų145.986%0.85781%0.814SS**  trans-60.7140.2170.927.3-35.2000111.2
430R30.3Very low34.6Very low248 Ų248150 Ų15094%0.93682%0.822SS**  trans-135.7147.8173.6-137.1174.8-173.1164.71.3109.6
431E29Very low33.3Very low182 Ų182154 Ų15485%0.8583%0.832SS**  trans-71.4155.7-168.6-68.8174.310200114
432P36.9Very low32.2Very low124 Ų124152.6 Ų152.681%0.80584%0.835SS**  trans-80131.7-176.331.6-34.7000113
433Q27.8Very low32.7Very low203 Ų203153.2 Ų153.295%0.94984%0.837SS**  trans-135.3167.7165-76.3-159.8-15.400112.5
434A31.9Very low32.6Very low97 Ų97154.4 Ų154.480%0.80283%0.833SS**  trans-89.7164.5-154.200000115.2
435P43.3Very low32.6Very low126 Ų126152.4 Ų152.482%0.81882%0.824SS**  trans-93.8148.9-164.335.9-35.2000115
436R27.9Very low32.1Very low257 Ų257156 Ų15697%0.9783%0.83SS**  trans-142.4150.5161.5-74-162.8172.9-177.2-1.8114
437Q29Very low31.9Very low193 Ų193151.9 Ų151.990%0.90282%0.822SS**  trans-64.9176.8-161.8-81.2173.9-35.100119.6
438P45.7Very low32.7Very low116 Ų116152.8 Ų152.875%0.75382%0.82SS**  trans-111.7166.2-169.742.3-33.5000116.1
439S27.3Very low32.6Very low114 Ų114148.1 Ų148.180%0.79781%0.813SS**  trans177.9158165.2-85.60000109.4
440L28.1Very low32.5Very low148 Ų148145.6 Ų145.678%0.77580%0.797SS**  cis-165.2171.1-24.2-157.776.7000107.8
441M29.7Very low32.7Very low178 Ų178141.8 Ų141.888%0.87779%0.788SS**  trans74.5142.8167.6-63.4-171.4170.300120
442G24.5Very low32.7Very low67 Ų67139.2 Ų139.269%0.69178%0.78SS**  trans-111.1-129.3153.900000108.3
443P48.3Very low32.3Very low118 Ų118137 Ų13777%0.76678%0.779SS**  cis-137.6-158.5-6.227.8-0.9000113.5
444E27Very low32.6Very low165 Ų165131.7 Ų131.777%0.77177%0.77SS**  trans89.1107.5153-50.4-14470.600122.5
445S28.1Very low32.5Very low88 Ų88133.8 Ų133.862%0.61577%0.773SS**  53.9109.4113.4-45.90000121.8
446Q29.7Very low32.1Very low201 Ų201131.9 Ų131.994%0.93977%0.768SS**  -173.3151115.7-103.7152.78800115.5
447S30.1Very low32.2Very low107 Ų107126.6 Ų126.675%0.74876%0.764SS**  trans-124.2-177.1169.765.10000107.9
448P46.1Very low32.2Very low111 Ų111120.5 Ų120.572%0.72175%0.753SS**  cis-110.5-134.16.526.9-1.7000111.3
449D29.1Very low31.6Very low136 Ų136119.6 Ų119.673%0.72776%0.756SS**  cis-166.6-178.15.7-142.93.5000108.8
450C32.8Very low31.6Very low78 Ų78121 Ų12153%0.52776%0.759SS.*  cis-162.4150.71.8-155.20000111.2
451K34.3Very low31.7Very low169 Ų169118.1 Ų118.174%0.73576%0.757SS**  trans58.1162.7151.7-77.8167.9157.1-91.30120.6
452D29.1Very low31.5Very low128 Ų128116 Ų11668%0.68475%0.754SS**  cis-147.3135.4-16.4-103.1-40.7000104.8
453G29.5Very low32.1Very low76 Ų76119 Ų11978%0.78476%0.762SS**  96.9158.282.300000112.2
454A32.3Very low31.1Very low93 Ų93119 Ų11977%0.76976%0.764SS**  cis-170.9142.9-2600000110.4
455T30Very low31.2Very low141 Ų141116 Ų11687%0.86577%0.768SS**  trans165.2113.2152.426.30000109
456A36.5Very low31.1Very low85 Ų85115.1 Ų115.170%0.70277%0.773SS**  85.3132.783.200000113.2
457T30.1Very low31Very low146 Ų146110 Ų11090%0.89677%0.765SS**  cis-165.8159.5-6.312.90000107.7
458G27.5Very low30.9Very low65 Ų65110.8 Ų110.867%0.6777%0.77SS**  cis154139.1-5.100000112.5
459A33.5Very low29.9Very low98 Ų98109.4 Ų109.481%0.8178%0.776SS**  trans69.2148178.400000115.9
460T28.6Very low29.7Very low142 Ų142106.5 Ų106.587%0.87178%0.778SS**  cis-151.2170.87.4-14.40000107.3
461A28.9Very low29.4Very low88 Ų88111.2 Ų111.273%0.72780%0.797SS**  cis-154.2-162.412.700000112.9
462T25.1Very low29.1Very low133 Ų133111.6 Ų111.682%0.81680%0.802SS**  trans-127.1174.6179.25.90000109.3
463P37.2Very low29.3Very low131 Ų131110.1 Ų110.185%0.85180%0.799SS**  cis-141.6-171.840.741.4-19.6000117.5
464S27.4Very low29Very low117 Ų117114.7 Ų114.782%0.81880%0.8SS**  trans-112.5148.5-168.7171.90000113.5
465A29Very low28.9Very low103 Ų103118.9 Ų118.985%0.85180%0.803SS**  trans-164.8143.5148.900000109.4
466G26.4Very low28.6Very low69 Ų69120.5 Ų120.571%0.71181%0.806SS**  cis173.6166.1-9.100000112.8
467A28.1Very low28.2Very low94 Ų94121.8 Ų121.878%0.77781%0.81SS**  trans58.3108.7158.800000121.7
468S27.9Very low27.9Very low124 Ų124120.4 Ų120.487%0.86781%0.806SS**  65.7115.1120.4-52.90000122.6
469G25.1Very low27.9Very low82 Ų82123 Ų12385%0.84581%0.813SS**  111.698.3101.300000120.5
470G24Very low27.7Very low74 Ų74126.2 Ų126.276%0.76382%0.816SS**  trans105.1154.8130.300000120.1
471L26.1Very low27.7Very low177 Ų177122.3 Ų122.393%0.92780%0.804SS**  trans66.1106.3158.8-53.8178.4000119.4
472Q28.8Very low27.6Very low178 Ų178127.1 Ų127.183%0.83281%0.811SS**  trans-65.2156.9138.8-115-159.874.900109.1
473P34.1Very low28.3Very low97 Ų97128.3 Ų128.363%0.6381%0.812SS**  -153.3-175.958.539.5-17.6000118.2
474H22.2Very low28Very low172 Ų172126.8 Ų126.880%0.79681%0.81SS**  trans84.3152157.9-75.3-58.6000121
475Q30.5Very low28.9Very low180 Ų180125.9 Ų125.984%0.84180%0.8SS**  trans-83.4148.8-175.7-57.1159.8-15.500110.3
476L24Very low29.6Very low176 Ų176124.4 Ų124.492%0.92179%0.788SS**  -164.7152.6127.3-107.9168.4000112.3
477S29Very low30.9Very low112 Ų112127.2 Ų127.278%0.78379%0.793SS**  trans-58.6134-177.9160.40000114.6
478S23.8Very low32.7Very low116 Ų116125.5 Ų125.581%0.81177%0.771SS**  -144.6159.9127-161.10000110.5
479C26.6Very low34.6Very low121 Ų121122.3 Ų122.382%0.81875%0.747SS**  trans-100.8127.5-173.856.90000111.8
480D29.7Very low36.2Very low164 Ų164125.3 Ų125.388%0.87774%0.739SS**  trans-126.8146.7156.7-149.9-31.2000107.8
481G28.1Very low38.5Very low60 Ų60123.4 Ų123.462%0.61972%0.72SS**  trans-172.731.7-151.300000116.7L483G481-L483 PolarHBondContact O-N 3.07Å
482E27.8Very low41.4Very low189 Ų189115.6 Ų115.688%0.88368%0.679SS**  trans-59.5122.6165.8-134.5-156.7124.200109.8A484E482-A484 PolarHBondContact O-N 2.97Å
483L38Very low44.5Very low158 Ų158107.7 Ų107.783%0.82764%0.642SS**  trans-80.382.1-170.1-79.2172.6000111.8G481 V485G481-L483 PolarHBondContact O-N 3.07Å; L483-V485 WeakPolarHBondContact O-CG2 3.4Å; L483-V485 PolarHBondContact O-N 3.44Å
484A32.3Very low47.3Very low99 Ų99103.2 Ų103.282%0.81861%0.613SS**  trans-54.5104162.700000110E482 A486E482-A484 PolarHBondContact O-N 2.97Å; A484-A486 PolarHBondContact O-N 2.83Å; A484-A486 VanDerWaalsContact O-N 3.1Å
485V46.4Very low50.8Low98 Ų9895.3 Ų95.359%0.59458%0.578SS**  trans-75.8102.9-174.3177.70000109.8L483L483-V485 WeakPolarHBondContact O-CG2 3.4Å; L483-V485 PolarHBondContact O-N 3.44Å
486A42.6Very low53.8Low73 Ų7387.7 Ų87.760%0.60354%0.542SS*.PPolyproline II helixtrans-52.2138.5171.100000111.3A484 L488 R499A484-A486 PolarHBondContact O-N 2.83Å; A484-A486 VanDerWaalsContact O-N 3.1Å; A486-L488 PolarHBondContact O-N 2.84Å; A486-R499 PolarHBondContact O-NH2 2.92Å
487P53.6Low57.3Low127 Ų12779.3 Ų79.383%0.82550%0.499SS*.PPolyproline II helixtrans-56126170.1-24.234.4000110.1
488L65.7Low60.5Low59 Ų5974.3 Ų74.331%0.30946%0.463SS..PPolyproline II helixtrans-75.9138.1168.4-81.4171.9000108.4A486 Q496 R499A486-L488 PolarHBondContact O-N 2.84Å; L488-Q496 HydrophobicContact CD1-CG 4.32Å; L488-R499 HydrophobicContact CD1-CB 4.4Å
489P67.5Low63.9Low56 Ų5672.1 Ų72.136%0.36444%0.437SS..PPolyproline II helixtrans-63.3140178.326.4-33.8000111Y418 G491 D492Y418-P489 HydrophobicContact CE1-CG 3.76Å; Y418-P489 HydrophobicContact CE2-CG 4.32Å; Y418-P489 VanDerWaalsContact CZ-CG 3.49Å; Y418-P489 VanDerWaalsContact OH-CB 3.29Å; Y418-P489 WeakPolarHBondContact OH-CB 3.3Å; Y418-P489 WeakPolarHBondContact OH-CG 3.44Å; P489-G491 PolarHBondContact O-N 2.9Å; P489-G491 VanDerWaalsContact O-N 3.14Å; P489-D492 HydrophobicContact CG-CB 4.24Å; P489-D492 PolarHBondContact O-N 3.1Å; P489-D492 VanDerWaalsContact O-N 3.15Å
490E60.5Low67.3Low146 Ų14666.4 Ų66.468%0.68240%0.399SS*.THydrogen-bonded Turntrans-67.3112.3177-171138.3-109.800109.4K388K388-E490 IonicContact NZ-OE1 3.94Å; K388-E490 PolarHBondContact NZ-OE1 2.77Å
491G70.5Confident70.5Confident34 Ų3458.6 Ų58.635%0.35136%0.357SS..THydrogen-bonded Turntrans135.7-37.6-165.600000113.1Q384 P489 L493Q384-G491 PolarHBondContact NE2-O 2.7Å; P489-G491 PolarHBondContact O-N 2.9Å; P489-G491 VanDerWaalsContact O-N 3.14Å; G491-L493 VanDerWaalsContact C-N 3.32Å; G491-L493 PolarHBondContact O-N 3.33Å
492D88.4Confident73.7Confident13 Ų1356.2 Ų56.27%0.0733%0.332CS..  trans-75.277.3-175.1-173.810.2000112.9Y418 P489 P494 G495 Q496Y418-D492 WeakPolarHBondContact CB-OD1 3.32Å; Y418-D492 HydrophobicContact CD1-CB 3.96Å; Y418-D492 HydrophobicContact CD2-CB 3.73Å; Y418-D492 HydrophobicContact CE1-CB 4.3Å; Y418-D492 HydrophobicContact CE2-CB 4.09Å; Y418-D492 HydrophobicContact CG-CB 3.66Å; P489-D492 HydrophobicContact CG-CB 4.24Å; P489-D492 PolarHBondContact O-N 3.1Å; P489-D492 VanDerWaalsContact O-N 3.15Å; D492-P494 WeakPolarHBondContact OD1-CD 3.02Å; D492-G495 PolarHBondContact O-N 3.34Å; D492-G495 WeakPolarHBondContact OD1-CA 3.41Å; D492-G495 PolarHBondContact OD1-N 2.89Å; D492-G495 WeakPolarHBondContact OD2-CA 3.27Å; D492-Q496 WeakPolarHBondContact O-CB 3.44Å; D492-Q496 VanDerWaalsContact O-CG 3.28Å; D492-Q496 WeakPolarHBondContact O-CG 3.32Å; D492-Q496 PolarHBondContact O-N 2.73Å
493L92.6Very high76.9Confident11 Ų1150.6 Ų50.66%0.05830%0.304CS..Hα-helixtrans-62.9-43.8176.6-172.970.2000112.6R383 Q384 L387 M410 I415 G491 G495 Q496 F497R383-L493 HydrophobicContact CB-CD1 3.9Å; R383-L493 HydrophobicContact CB-CD2 4.39Å; Q384-L493 HydrophobicContact CG-CD1 3.81Å; L387-L493 HydrophobicContact CD1-CD1 3.53Å; M410-L493 HydrophobicContact SD-CD1 4.45Å; I415-L493 HydrophobicContact CG1-CD2 4.07Å; I415-L493 HydrophobicContact CG2-CD2 4.23Å; G491-L493 VanDerWaalsContact C-N 3.32Å; G491-L493 PolarHBondContact O-N 3.33Å; L493-G495 PolarHBondContact O-N 3.16Å; L493-Q496 PolarHBondContact O-N 2.94Å; L493-F497 VanDerWaalsContact O-CB 3.25Å; L493-F497 WeakPolarHBondContact O-CB 3.43Å; L493-F497 PolarHBondContact O-N 2.92Å
494P94.2Very high79.6Confident3 Ų343 Ų432%0.01927%0.265CS..Hα-helixtrans-60.5-39.2173.4-23.434.2000113.7I415 D492 T498 A533 F534I415-P494 HydrophobicContact CG2-CG 3.88Å; D492-P494 WeakPolarHBondContact OD1-CD 3.02Å; P494-T498 WeakPolarHBondContact O-CB 3.3Å; P494-T498 PolarHBondContact O-N 2.73Å; P494-T498 PolarHBondContact O-OG1 3.26Å; P494-A533 WeakPolarHBondContact CB-O 3.5Å; P494-A533 HydrophobicContact CG-CB 4.25Å; P494-A533 VanDerWaalsContact CG-O 3.31Å; P494-A533 WeakPolarHBondContact CG-O 3.16Å; P494-F534 HydrophobicContact CB-CD1 4.31Å; P494-F534 HydrophobicContact CB-CE1 4.4Å
495G94.5Very high82.6Confident6 Ų638.4 Ų38.46%0.06223%0.226CC..Hα-helixtrans-70.2-43.7177.700000113D492 L493 F497 T498 R499D492-G495 PolarHBondContact O-N 3.34Å; D492-G495 WeakPolarHBondContact OD1-CA 3.41Å; D492-G495 PolarHBondContact OD1-N 2.89Å; D492-G495 WeakPolarHBondContact OD2-CA 3.27Å; L493-G495 PolarHBondContact O-N 3.16Å; G495-F497 VanDerWaalsContact C-N 3.34Å; G495-T498 PolarHBondContact O-N 3.25Å; G495-R499 WeakPolarHBondContact O-CB 2.95Å; G495-R499 PolarHBondContact O-N 2.86Å
496Q94.4Very high84.8Confident20 Ų2037.6 Ų37.69%0.09322%0.222CC..Hα-helixtrans-60.7-43.9172.4-71.5173.93500110.7L387 L488 D492 L493 T498 R499 V500L387-Q496 HydrophobicContact CD1-CB 3.79Å; L488-Q496 HydrophobicContact CD1-CG 4.32Å; D492-Q496 WeakPolarHBondContact O-CB 3.44Å; D492-Q496 VanDerWaalsContact O-CG 3.28Å; D492-Q496 WeakPolarHBondContact O-CG 3.32Å; D492-Q496 PolarHBondContact O-N 2.73Å; L493-Q496 PolarHBondContact O-N 2.94Å; Q496-T498 VanDerWaalsContact C-N 3.35Å; Q496-T498 PolarHBondContact O-N 2.91Å; Q496-R499 WeakPolarHBondContact O-CB 3.35Å; Q496-R499 PolarHBondContact O-N 3.04Å; Q496-V500 WeakPolarHBondContact O-CG2 3.22Å; Q496-V500 PolarHBondContact O-N 3.13Å
497F97.1Very high87.1Confident1 Ų136.5 Ų36.50%0.00420%0.204CC..Hα-helixtrans-60.6-44.4175.2-169.6-73.1000111.4L387 L407 M410 I411 L493 G495 R499 V500 M501 L524 C528 F534L387-F497 HydrophobicContact CD1-CB 4.16Å; L387-F497 HydrophobicContact CD2-CB 4.5Å; L387-F497 HydrophobicContact CD2-CD2 4.24Å; L407-F497 HydrophobicContact CB-CE2 4.09Å; L407-F497 HydrophobicContact CB-CZ 3.94Å; L407-F497 HydrophobicContact CD2-CD1 4.49Å; L407-F497 HydrophobicContact CD2-CD2 3.74Å; L407-F497 HydrophobicContact CD2-CE1 4.29Å; L407-F497 HydrophobicContact CD2-CE2 3.52Å; L407-F497 HydrophobicContact CD2-CG 4.24Å; L407-F497 HydrophobicContact CD2-CZ 3.82Å; L407-F497 HydrophobicContact CG-CE2 4.43Å; L407-F497 HydrophobicContact CG-CZ 4.46Å; M410-F497 HydrophobicContact CB-CE2 4.15Å; M410-F497 HydrophobicContact CG-CD2 4.36Å; M410-F497 HydrophobicContact CG-CE2 4.31Å; M410-F497 HydrophobicContact SD-CD2 3.91Å; M410-F497 HydrophobicContact SD-CE2 4.31Å; I411-F497 HydrophobicContact CB-CE2 4.38Å; I411-F497 HydrophobicContact CB-CZ 4.12Å; I411-F497 HydrophobicContact CD1-CZ 4.42Å; L493-F497 VanDerWaalsContact O-CB 3.25Å; L493-F497 WeakPolarHBondContact O-CB 3.43Å; L493-F497 PolarHBondContact O-N 2.92Å; G495-F497 VanDerWaalsContact C-N 3.34Å; F497-R499 VanDerWaalsContact C-N 3.31Å; F497-R499 PolarHBondContact O-N 2.96Å; F497-V500 PolarHBondContact O-N 2.97Å; F497-M501 HydrophobicContact CD1-CG 3.69Å; F497-M501 HydrophobicContact CE1-CG 3.53Å; F497-M501 HydrophobicContact CE1-SD 4.05Å; F497-M501 WeakPolarHBondContact O-CB 3.22Å; F497-M501 VanDerWaalsContact O-CG 3.32Å; F497-M501 WeakPolarHBondContact O-CG 3.5Å; F497-M501 PolarHBondContact O-N 3.33Å; F497-L524 HydrophobicContact CZ-CD1 4.08Å; F497-C528 VanDerWaalsContact CE1-SG 3.5Å; F497-F534 HydrophobicContact CB-CE1 4.35Å; F497-F534 HydrophobicContact CB-CZ 4.29Å; F497-F534 AromaticContact CD1-CE1 3.79Å; F497-F534 HydrophobicContact CD1-CE1 3.79Å; F497-F534 AromaticContact CD1-CZ 3.61Å; F497-F534 HydrophobicContact CD1-CZ 3.61Å; F497-F534 HydrophobicContact CE1-CE1 4.49Å; F497-F534 HydrophobicContact CE1-CZ 4.07Å; F497-F534 HydrophobicContact CG-CE1 4.31Å; F497-F534 AromaticContact CG-CZ 3.96Å; F497-F534 HydrophobicContact CG-CZ 3.96Å
498T96.4Very high88.8Confident7 Ų730.6 Ų30.64%0.04317%0.166CC..Hα-helixtrans-64.3-35176.9-55.70000111.8P494 G495 Q496 M501 G502 Q538 W545P494-T498 WeakPolarHBondContact O-CB 3.3Å; P494-T498 PolarHBondContact O-N 2.73Å; P494-T498 PolarHBondContact O-OG1 3.26Å; G495-T498 PolarHBondContact O-N 3.25Å; Q496-T498 VanDerWaalsContact C-N 3.35Å; Q496-T498 PolarHBondContact O-N 2.91Å; T498-M501 PolarHBondContact O-N 2.64Å; T498-G502 PolarHBondContact O-N 3.44Å; T498-Q538 HydrophobicContact CG2-CB 4.13Å; T498-Q538 HydrophobicContact CG2-CG 4.13Å; T498-W545 HydrophobicContact CG2-CH2 4.08Å; T498-W545 HydrophobicContact CG2-CZ3 3.98Å; T498-W545 WeakPolarHBondContact O-CH2 3.4Å; T498-W545 WeakPolarHBondContact O-CZ3 3.48Å
499R95.4Very high89.9Confident70 Ų7030.8 Ų30.826%0.26417%0.167SC..Hα-helixtrans-63.7-50.1173.8-176.3-176.1-72.7-156.3-5111.1E391 A486 L488 G495 Q496 F497 M501 G502 K503E391-R499 WeakPolarHBondContact OE1-CD 3.41Å; E391-R499 WeakPolarHBondContact OE1-CG 3.45Å; E391-R499 WeakPolarHBondContact OE2-CD 3.34Å; A486-R499 PolarHBondContact O-NH2 2.92Å; L488-R499 HydrophobicContact CD1-CB 4.4Å; G495-R499 WeakPolarHBondContact O-CB 2.95Å; G495-R499 PolarHBondContact O-N 2.86Å; Q496-R499 WeakPolarHBondContact O-CB 3.35Å; Q496-R499 PolarHBondContact O-N 3.04Å; F497-R499 VanDerWaalsContact C-N 3.31Å; F497-R499 PolarHBondContact O-N 2.96Å; R499-M501 VanDerWaalsContact C-N 3.34Å; R499-M501 PolarHBondContact O-N 3.13Å; R499-G502 WeakPolarHBondContact O-CA 3.35Å; R499-G502 PolarHBondContact O-N 3.46Å; R499-K503 PolarHBondContact O-N 2.91Å
500V96.7Very high90.7Very high1 Ų133.7 Ų33.71%0.00618%0.183CC..Hα-helixtrans-59.7-44.1175.9-179.20000110.9L387 L390 E391 I394 L407 Q496 F497 G502 K503 V504L387-V500 HydrophobicContact CB-CG2 4.14Å; L387-V500 HydrophobicContact CD2-CB 4.26Å; L387-V500 HydrophobicContact CD2-CG2 3.87Å; L390-V500 HydrophobicContact CB-CG1 4.19Å; E391-V500 HydrophobicContact CB-CG2 4.14Å; I394-V500 HydrophobicContact CD1-CG1 3.63Å; L407-V500 HydrophobicContact CD1-CG1 3.96Å; L407-V500 HydrophobicContact CD2-CB 4.46Å; L407-V500 HydrophobicContact CD2-CG1 4.12Å; L407-V500 HydrophobicContact CG-CG1 4.5Å; Q496-V500 WeakPolarHBondContact O-CG2 3.22Å; Q496-V500 PolarHBondContact O-N 3.13Å; F497-V500 PolarHBondContact O-N 2.97Å; V500-G502 PolarHBondContact O-N 2.78Å; V500-K503 PolarHBondContact O-N 2.98Å; V500-V504 WeakPolarHBondContact O-CG2 3.47Å; V500-V504 PolarHBondContact O-N 3.35Å
501M96.8Very high91.6Very high0 Ų029.2 Ų29.20%017%0.168CC..Hα-helixtrans-57.8-32.8173.9-76-68.2-75.100113.4L407 F497 T498 R499 C505 Y521 L524 I525 L542 W545L407-M501 HydrophobicContact CD1-SD 4.12Å; F497-M501 HydrophobicContact CD1-CG 3.69Å; F497-M501 HydrophobicContact CE1-CG 3.53Å; F497-M501 HydrophobicContact CE1-SD 4.05Å; F497-M501 WeakPolarHBondContact O-CB 3.22Å; F497-M501 VanDerWaalsContact O-CG 3.32Å; F497-M501 WeakPolarHBondContact O-CG 3.5Å; F497-M501 PolarHBondContact O-N 3.33Å; T498-M501 PolarHBondContact O-N 2.64Å; R499-M501 VanDerWaalsContact C-N 3.34Å; R499-M501 PolarHBondContact O-N 3.13Å; M501-C505 PolarHBondContact O-N 3Å; M501-Y521 HydrophobicContact CE-CD2 3.89Å; M501-Y521 HydrophobicContact CE-CE2 3.4Å; M501-Y521 VanDerWaalsContact CE-CE2 3.4Å; M501-Y521 WeakPolarHBondContact O-CE2 3.36Å; M501-Y521 PolarHBondContact O-OH 2.92Å; M501-Y521 HydrophobicContact SD-CD2 4.18Å; M501-Y521 HydrophobicContact SD-CE2 3.73Å; M501-L524 HydrophobicContact CE-CB 4.23Å; M501-L524 HydrophobicContact CE-CD2 3.98Å; M501-L524 HydrophobicContact CE-CG 3.78Å; M501-L524 HydrophobicContact SD-CD2 3.37Å; M501-L524 WeakPolarHBondContact SD-CD2 3.37Å; M501-L524 HydrophobicContact SD-CG 3.74Å; M501-I525 HydrophobicContact CE-CG1 3.56Å; M501-L542 HydrophobicContact CB-CD2 3.9Å; M501-L542 HydrophobicContact CE-CD2 3.9Å; M501-L542 HydrophobicContact CG-CD2 4.15Å; M501-W545 HydrophobicContact CB-CZ3 4.14Å
502G95.8Very high91.4Very high9 Ų939.2 Ų39.29%0.09320%0.195CC..Hα-helixtrans-69.4-42.5172.700000112.7T498 R499 V500 C505 T506T498-G502 PolarHBondContact O-N 3.44Å; R499-G502 WeakPolarHBondContact O-CA 3.35Å; R499-G502 PolarHBondContact O-N 3.46Å; V500-G502 PolarHBondContact O-N 2.78Å; G502-C505 WeakPolarHBondContact O-CA 3.48Å; G502-C505 VanDerWaalsContact O-CB 3.24Å; G502-C505 WeakPolarHBondContact O-CB 3.19Å; G502-C505 PolarHBondContact O-N 3.16Å; G502-C505 VanDerWaalsContact O-N 3.15Å; G502-T506 PolarHBondContact O-N 3.3Å; G502-T506 PolarHBondContact O-OG1 3.12Å
503K95.3Very high90.4Very high71 Ų7139.4 Ų39.431%0.30920%0.197SC..Hα-helixtrans-63.7-41.7174.9-61.1-67.9-171.11720112E391 I394 I395 R499 V500 C505 T506 Q507E391-K503 HydrophobicContact CG-CG 4.27Å; E391-K503 WeakPolarHBondContact OE1-CE 3.34Å; E391-K503 IonicContact OE1-NZ 2.73Å; I394-K503 HydrophobicContact CG2-CB 3.82Å; I395-K503 HydrophobicContact CD1-CD 4.31Å; I395-K503 HydrophobicContact CG1-CD 4.23Å; R499-K503 PolarHBondContact O-N 2.91Å; V500-K503 PolarHBondContact O-N 2.98Å; K503-C505 VanDerWaalsContact C-N 3.32Å; K503-C505 PolarHBondContact O-N 2.91Å; K503-T506 PolarHBondContact O-N 2.94Å; K503-Q507 PolarHBondContact O-N 3.35Å
504V95.3Very high89.8Confident0 Ų044 Ų440%022%0.222CC..Hα-helixtrans-59.1-43.7171.1178.60000110.3I394 L404 L407 V500 Q507 L508 Y521I394-V504 HydrophobicContact CD1-CG2 3.5Å; I394-V504 VanDerWaalsContact CD1-CG2 3.5Å; I394-V504 HydrophobicContact CG1-CG2 4.42Å; L404-V504 HydrophobicContact CD2-CG1 3.94Å; L404-V504 HydrophobicContact CG-CG1 4.35Å; L407-V504 HydrophobicContact CD1-CG2 4.21Å; V500-V504 WeakPolarHBondContact O-CG2 3.47Å; V500-V504 PolarHBondContact O-N 3.35Å; V504-Q507 PolarHBondContact O-N 3.08Å; V504-L508 HydrophobicContact CG1-CD1 3.88Å; V504-L508 HydrophobicContact CG1-CG 4.16Å; V504-L508 WeakPolarHBondContact O-CB 3.33Å; V504-L508 VanDerWaalsContact O-CG 3.25Å; V504-L508 WeakPolarHBondContact O-CG 3.22Å; V504-L508 PolarHBondContact O-N 3.33Å; V504-Y521 HydrophobicContact CB-CD2 4.18Å; V504-Y521 HydrophobicContact CB-CE2 3.91Å; V504-Y521 HydrophobicContact CG1-CD2 3.49Å; V504-Y521 VanDerWaalsContact CG1-CD2 3.49Å; V504-Y521 HydrophobicContact CG1-CE2 3.73Å; V504-Y521 HydrophobicContact CG1-CG 4.31Å
505C94.5Very high89.4Confident1 Ų149.8 Ų49.81%0.00725%0.249CC..Hα-helixtrans-56.4-53174.5-164.70000111.6M501 G502 K503 Q507 L508 L509 Y521 W545M501-C505 PolarHBondContact O-N 3Å; G502-C505 WeakPolarHBondContact O-CA 3.48Å; G502-C505 VanDerWaalsContact O-CB 3.24Å; G502-C505 WeakPolarHBondContact O-CB 3.19Å; G502-C505 PolarHBondContact O-N 3.16Å; G502-C505 VanDerWaalsContact O-N 3.15Å; K503-C505 VanDerWaalsContact C-N 3.32Å; K503-C505 PolarHBondContact O-N 2.91Å; C505-Q507 VanDerWaalsContact C-N 3.33Å; C505-Q507 PolarHBondContact O-N 3.32Å; C505-L508 CarbonylContact O-C 3.37Å; C505-L508 WeakPolarHBondContact O-CB 3.13Å; C505-L508 PolarHBondContact O-N 3.29Å; C505-L508 VanDerWaalsContact O-N 3.08Å; C505-L509 VanDerWaalsContact O-CG 3.28Å; C505-L509 WeakPolarHBondContact O-CG 3.27Å; C505-L509 PolarHBondContact O-N 3.26Å; C505-Y521 HydrophobicContact CB-CE1 4.41Å; C505-Y521 WeakPolarHBondContact CB-OH 3.44Å; C505-W545 HydrophobicContact CB-CB 4.22Å; C505-W545 HydrophobicContact CB-CD2 4.31Å; C505-W545 HydrophobicContact CB-CG 4Å; C505-W545 VanDerWaalsContact SG-CB 3.56Å
506T92.8Very high89.2Confident82 Ų8256.3 Ų56.350%0.50328%0.277SS..Hα-helixtrans-56.6-45179.7-56.30000111.8G502 K503 L509 V510G502-T506 PolarHBondContact O-N 3.3Å; G502-T506 PolarHBondContact O-OG1 3.12Å; K503-T506 PolarHBondContact O-N 2.94Å; T506-L509 PolarHBondContact O-N 3.03Å; T506-L509 VanDerWaalsContact O-N 3.16Å; T506-V510 HydrophobicContact CG2-CG2 4.29Å; T506-V510 WeakPolarHBondContact O-CB 3.34Å; T506-V510 WeakPolarHBondContact O-CG2 3.46Å; T506-V510 PolarHBondContact O-N 3.26Å
507Q90.2Very high89.1Confident49 Ų4956 Ų5623%0.22928%0.277CS..Hα-helixtrans-66.6-37.4176-74.1-66.713.900112.9I394 L400 K503 V504 C505 L509 V510 S511I394-Q507 HydrophobicContact CG2-CB 4.37Å; I394-Q507 HydrophobicContact CG2-CG 3.6Å; I394-Q507 PolarHBondContact O-NE2 3.49Å; L400-Q507 HydrophobicContact CD1-CB 3.97Å; L400-Q507 HydrophobicContact CD2-CB 3.87Å; L400-Q507 HydrophobicContact CD2-CG 4.35Å; L400-Q507 HydrophobicContact CG-CB 4.39Å; K503-Q507 PolarHBondContact O-N 3.35Å; V504-Q507 PolarHBondContact O-N 3.08Å; C505-Q507 VanDerWaalsContact C-N 3.33Å; C505-Q507 PolarHBondContact O-N 3.32Å; Q507-L509 PolarHBondContact O-N 3.46Å; Q507-V510 PolarHBondContact O-N 3Å; Q507-S511 VanDerWaalsContact O-CB 3.27Å; Q507-S511 WeakPolarHBondContact O-CB 3.28Å; Q507-S511 PolarHBondContact O-N 2.96Å; Q507-S511 PolarHBondContact O-OG 3.37Å
508L90.8Very high88.9Confident3 Ų356.2 Ų56.22%0.01628%0.277CS..Hα-helixtrans-65.1-24.8172.6-70.3173000113.2L400 V504 C505 P513 N517 Y521 V549L400-L508 HydrophobicContact CD1-CD2 3.58Å; L400-L508 HydrophobicContact CD1-CG 3.83Å; V504-L508 HydrophobicContact CG1-CD1 3.88Å; V504-L508 HydrophobicContact CG1-CG 4.16Å; V504-L508 WeakPolarHBondContact O-CB 3.33Å; V504-L508 VanDerWaalsContact O-CG 3.25Å; V504-L508 WeakPolarHBondContact O-CG 3.22Å; V504-L508 PolarHBondContact O-N 3.33Å; C505-L508 CarbonylContact O-C 3.37Å; C505-L508 WeakPolarHBondContact O-CB 3.13Å; C505-L508 PolarHBondContact O-N 3.29Å; C505-L508 VanDerWaalsContact O-N 3.08Å; L508-P513 HydrophobicContact CB-CG 4.3Å; L508-P513 HydrophobicContact CD2-CB 3.42Å; L508-P513 VanDerWaalsContact CD2-CB 3.42Å; L508-P513 HydrophobicContact CD2-CG 3.67Å; L508-P513 WeakPolarHBondContact O-CG 3.24Å; L508-N517 HydrophobicContact CD2-CB 4.15Å; L508-Y521 HydrophobicContact CD1-CD1 3.48Å; L508-Y521 VanDerWaalsContact CD1-CD1 3.48Å; L508-Y521 HydrophobicContact CD1-CD2 3.94Å; L508-Y521 HydrophobicContact CD1-CE1 4.13Å; L508-Y521 HydrophobicContact CD1-CG 3.37Å; L508-V549 HydrophobicContact CB-CG2 4.44Å; L508-V549 HydrophobicContact CD1-CG2 4.38Å
509L88.3Confident88.8Confident64 Ų6457.9 Ų57.934%0.33529%0.29SS..Hα-helixtrans-88.9-26.1178.8-66.1176.7000113.5C505 T506 Q507 Q548 V549 L552C505-L509 VanDerWaalsContact O-CG 3.28Å; C505-L509 WeakPolarHBondContact O-CG 3.27Å; C505-L509 PolarHBondContact O-N 3.26Å; T506-L509 PolarHBondContact O-N 3.03Å; T506-L509 VanDerWaalsContact O-N 3.16Å; Q507-L509 PolarHBondContact O-N 3.46Å; L509-Q548 HydrophobicContact CD1-CB 4.35Å; L509-Q548 HydrophobicContact CD2-CB 4.21Å; L509-V549 HydrophobicContact CD2-CG2 4.28Å; L509-L552 HydrophobicContact CB-CD1 4.49Å; L509-L552 HydrophobicContact CD2-CD1 3.52Å; L509-L552 HydrophobicContact CD2-CG 3.82Å
510V84.9Confident88.8Confident116 Ų11655.8 Ų55.870%0.70329%0.286SS*.Hα-helixtrans-101.7-34.9-175.31750000112.7T506 Q507T506-V510 HydrophobicContact CG2-CG2 4.29Å; T506-V510 WeakPolarHBondContact O-CB 3.34Å; T506-V510 WeakPolarHBondContact O-CG2 3.46Å; T506-V510 PolarHBondContact O-N 3.26Å; Q507-V510 PolarHBondContact O-N 3Å
511S77.9Confident88.8Confident52 Ų5255.8 Ų55.836%0.36429%0.286SS..SBendtrans-80.8178.2171.673.30000111.7Q507 P513Q507-S511 VanDerWaalsContact O-CB 3.27Å; Q507-S511 WeakPolarHBondContact O-CB 3.28Å; Q507-S511 PolarHBondContact O-N 2.96Å; Q507-S511 PolarHBondContact O-OG 3.37Å; S511-P513 VanDerWaalsContact C-CD 3.44Å; S511-P513 WeakPolarHBondContact O-CD 3.49Å
512R66.1Low88.8Confident244 Ų24456.8 Ų56.892%0.92129%0.291SS*.  trans-100.684.5162.8-69.5-176.3179-177.30.3108.9
513P68.4Low88.8Confident17 Ų1762.1 Ų62.111%0.1131%0.313CS..  trans-78.2150-176.633.9-39.1000112.6L508 S511 N517 I518L508-P513 HydrophobicContact CB-CG 4.3Å; L508-P513 HydrophobicContact CD2-CB 3.42Å; L508-P513 VanDerWaalsContact CD2-CB 3.42Å; L508-P513 HydrophobicContact CD2-CG 3.67Å; L508-P513 WeakPolarHBondContact O-CG 3.24Å; S511-P513 VanDerWaalsContact C-CD 3.44Å; S511-P513 WeakPolarHBondContact O-CD 3.49Å; P513-N517 HydrophobicContact CB-CB 4.46Å; P513-I518 HydrophobicContact CG-CD1 4.17Å; P513-I518 HydrophobicContact CG-CG1 4.02Å
514D79.6Confident88.9Confident107 Ų10758.7 Ų58.757%0.57230%0.299SS*.  trans-62.8150.6173.3-42.1-82000112.6E516 N517 I518D514-E516 PolarHBondContact O-N 2.99Å; D514-N517 WeakPolarHBondContact O-CB 3.48Å; D514-N517 PolarHBondContact O-N 3.28Å; D514-N517 PolarHBondContact OD2-ND2 3.47Å; D514-I518 PolarHBondContact O-N 3.12Å; D514-I518 VanDerWaalsContact O-N 3.13Å
515E87.1Confident89Confident126 Ų12658.7 Ų58.759%0.58930%0.299SS*.Hα-helixtrans-56.4-31.1174.8173.2164.7-157.400112.8S519 F553E515-S519 VanDerWaalsContact O-CB 3.22Å; E515-S519 WeakPolarHBondContact O-CB 3.35Å; E515-S519 PolarHBondContact O-N 2.97Å; E515-S519 PolarHBondContact O-OG 3.28Å; E515-F553 HydrophobicContact CG-CE2 3.87Å; E515-F553 HydrophobicContact CG-CZ 4.46Å; E515-F553 WeakPolarHBondContact OE1-CE2 3.48Å; E515-F553 VanDerWaalsContact OE1-CZ 3.31Å; E515-F553 WeakPolarHBondContact OE1-CZ 3.41Å
516E89.4Confident89.1Confident142 Ų14262.2 Ų62.266%0.66432%0.317SS*.Hα-helixtrans-62-43.4173.3-64.6-169-179.500112.2D514 S519 S520D514-E516 PolarHBondContact O-N 2.99Å; E516-S519 PolarHBondContact O-N 3.13Å; E516-S520 WeakPolarHBondContact O-CB 3.36Å; E516-S520 PolarHBondContact O-N 3.05Å
517N92.4Very high89.3Confident15 Ų1561.3 Ų61.38%0.0831%0.306CS..Hα-helixtrans-70.2-41.9-179.5-66.4-49.8000111L404 L508 P513 D514 S520 Y521L404-N517 HydrophobicContact CD1-CB 3.86Å; L508-N517 HydrophobicContact CD2-CB 4.15Å; P513-N517 HydrophobicContact CB-CB 4.46Å; D514-N517 WeakPolarHBondContact O-CB 3.48Å; D514-N517 PolarHBondContact O-N 3.28Å; D514-N517 PolarHBondContact OD2-ND2 3.47Å; N517-S520 PolarHBondContact O-N 2.9Å; N517-Y521 WeakPolarHBondContact O-CB 3.47Å; N517-Y521 PolarHBondContact O-N 3.11Å
518I92.4Very high89.6Confident4 Ų459 Ų592%0.02130%0.296CS..Hα-helixtrans-57.9-49.8172.2-67.2174.6000110.2P513 D514 Y521 L522 V549 F553 F556P513-I518 HydrophobicContact CG-CD1 4.17Å; P513-I518 HydrophobicContact CG-CG1 4.02Å; D514-I518 PolarHBondContact O-N 3.12Å; D514-I518 VanDerWaalsContact O-N 3.13Å; I518-Y521 PolarHBondContact O-N 3.2Å; I518-L522 HydrophobicContact CG2-CD1 3.96Å; I518-L522 VanDerWaalsContact O-CG 3.31Å; I518-L522 WeakPolarHBondContact O-CG 3.39Å; I518-L522 PolarHBondContact O-N 3.09Å; I518-V549 HydrophobicContact CG2-CG1 3.87Å; I518-F553 HydrophobicContact CD1-CD2 4.29Å; I518-F553 HydrophobicContact CG2-CB 4.16Å; I518-F553 HydrophobicContact CG2-CD2 3.87Å; I518-F553 HydrophobicContact CG2-CG 4.16Å; I518-F556 HydrophobicContact CD1-CE2 3.9Å; I518-F556 HydrophobicContact CD1-CZ 4.46Å
519S93.7Very high89.8Confident43 Ų4360.8 Ų60.830%0.30131%0.305SS..Hα-helixtrans-63.5-43.4-178.5-65.30000112.3E515 E516 L522 Q523E515-S519 VanDerWaalsContact O-CB 3.22Å; E515-S519 WeakPolarHBondContact O-CB 3.35Å; E515-S519 PolarHBondContact O-N 2.97Å; E515-S519 PolarHBondContact O-OG 3.28Å; E516-S519 PolarHBondContact O-N 3.13Å; S519-L522 PolarHBondContact O-N 2.93Å; S519-Q523 VanDerWaalsContact O-CG 3.3Å; S519-Q523 WeakPolarHBondContact O-CG 3.48Å; S519-Q523 PolarHBondContact O-N 3.12Å
520S96.4Very high90.1Very high26 Ų2664.4 Ų64.418%0.18232%0.323CS..Hα-helixtrans-62.5-45.6175.1177.40000111.6H408 E516 N517 L522 Q523 L524H408-S520 PolarHBondContact CD2-OG 3.05Å; H408-S520 PolarHBondContact NE2-O 3.39Å; E516-S520 WeakPolarHBondContact O-CB 3.36Å; E516-S520 PolarHBondContact O-N 3.05Å; N517-S520 PolarHBondContact O-N 2.9Å; S520-L522 PolarHBondContact O-N 3.08Å; S520-Q523 PolarHBondContact O-N 3.13Å; S520-L524 VanDerWaalsContact O-CB 3.3Å; S520-L524 WeakPolarHBondContact O-CB 3.38Å; S520-L524 PolarHBondContact O-N 2.98Å
521Y97.1Very high90.6Very high0 Ų059.7 Ų59.70%029%0.293CS..Hα-helixtrans-61.6-41.3177.9-175.3-108.6000112.8L404 M501 V504 C505 L508 N517 I518 L524 I525 V549L404-Y521 HydrophobicContact CD2-CD2 3.94Å; L404-Y521 HydrophobicContact CD2-CG 4.44Å; M501-Y521 HydrophobicContact CE-CD2 3.89Å; M501-Y521 HydrophobicContact CE-CE2 3.4Å; M501-Y521 VanDerWaalsContact CE-CE2 3.4Å; M501-Y521 WeakPolarHBondContact O-CE2 3.36Å; M501-Y521 PolarHBondContact O-OH 2.92Å; M501-Y521 HydrophobicContact SD-CD2 4.18Å; M501-Y521 HydrophobicContact SD-CE2 3.73Å; V504-Y521 HydrophobicContact CB-CD2 4.18Å; V504-Y521 HydrophobicContact CB-CE2 3.91Å; V504-Y521 HydrophobicContact CG1-CD2 3.49Å; V504-Y521 VanDerWaalsContact CG1-CD2 3.49Å; V504-Y521 HydrophobicContact CG1-CE2 3.73Å; V504-Y521 HydrophobicContact CG1-CG 4.31Å; C505-Y521 HydrophobicContact CB-CE1 4.41Å; C505-Y521 WeakPolarHBondContact CB-OH 3.44Å; L508-Y521 HydrophobicContact CD1-CD1 3.48Å; L508-Y521 VanDerWaalsContact CD1-CD1 3.48Å; L508-Y521 HydrophobicContact CD1-CD2 3.94Å; L508-Y521 HydrophobicContact CD1-CE1 4.13Å; L508-Y521 HydrophobicContact CD1-CG 3.37Å; N517-Y521 WeakPolarHBondContact O-CB 3.47Å; N517-Y521 PolarHBondContact O-N 3.11Å; I518-Y521 PolarHBondContact O-N 3.2Å; Y521-L524 WeakPolarHBondContact O-CB 3.46Å; Y521-L524 PolarHBondContact O-N 2.98Å; Y521-I525 HydrophobicContact CD1-CD1 3.88Å; Y521-I525 HydrophobicContact CE1-CD1 3.35Å; Y521-I525 HydrophobicContact CE1-CG1 4.23Å; Y521-I525 PolarHBondContact O-N 3.36Å; Y521-V549 HydrophobicContact CD1-CB 4.46Å; Y521-V549 HydrophobicContact CD1-CG1 4.31Å; Y521-V549 HydrophobicContact CD1-CG2 4.07Å; Y521-V549 HydrophobicContact CE1-CG2 3.92Å
522L95.8Very high91.2Very high22 Ų2262.4 Ų62.412%0.11530%0.3CS..Hα-helixtrans-66.6-42.1176.8-67.5174.3000112.1I518 S519 S520 L524 I525 D526 K546 V549 Q550I518-L522 HydrophobicContact CG2-CD1 3.96Å; I518-L522 VanDerWaalsContact O-CG 3.31Å; I518-L522 WeakPolarHBondContact O-CG 3.39Å; I518-L522 PolarHBondContact O-N 3.09Å; S519-L522 PolarHBondContact O-N 2.93Å; S520-L522 PolarHBondContact O-N 3.08Å; L522-L524 VanDerWaalsContact C-N 3.25Å; L522-L524 PolarHBondContact O-N 3.29Å; L522-I525 PolarHBondContact O-N 2.9Å; L522-D526 PolarHBondContact O-N 3.2Å; L522-D526 VanDerWaalsContact O-N 3.1Å; L522-K546 HydrophobicContact CD2-CG 3.56Å; L522-V549 HydrophobicContact CD2-CB 4.4Å; L522-V549 HydrophobicContact CD2-CG1 4.21Å; L522-V549 HydrophobicContact CG-CG1 4.35Å; L522-Q550 HydrophobicContact CD1-CG 3.93Å; L522-Q550 HydrophobicContact CD2-CG 3.8Å
523Q96.6Very high92.4Very high120 Ų12051.1 Ų51.156%0.56126%0.259SS*.Hα-helixtrans-63.1-31.8172.3-71.117627.900112.6H408 S519 S520 K527H408-Q523 WeakPolarHBondContact NE2-CB 3.4Å; H408-Q523 PolarHBondContact NE2-O 2.94Å; S519-Q523 VanDerWaalsContact O-CG 3.3Å; S519-Q523 WeakPolarHBondContact O-CG 3.48Å; S519-Q523 PolarHBondContact O-N 3.12Å; S520-Q523 PolarHBondContact O-N 3.13Å; Q523-K527 WeakPolarHBondContact O-CG 3.21Å; Q523-K527 PolarHBondContact O-N 3.35Å
524L97.6Very high93.7Very high0 Ų050.6 Ų50.60%026%0.255CS..Hα-helixtrans-71.9-42.8178.1-175.857.3000111.3L404 L407 H408 I411 F497 M501 S520 Y521 L522 D526 K527 C528L404-L524 HydrophobicContact CD2-CD2 4.07Å; L407-L524 HydrophobicContact CB-CD1 4.31Å; L407-L524 HydrophobicContact CB-CD2 3.59Å; L407-L524 HydrophobicContact CD1-CD2 4.07Å; L407-L524 HydrophobicContact CG-CD2 4.48Å; H408-L524 WeakPolarHBondContact CE1-CD1 3.46Å; H408-L524 WeakPolarHBondContact ND1-CD1 3.33Å; H408-L524 WeakPolarHBondContact NE2-CA 3.4Å; H408-L524 VanDerWaalsContact NE2-CB 3.3Å; H408-L524 WeakPolarHBondContact NE2-CB 3.41Å; H408-L524 PolarHBondContact NE2-N 3.43Å; I411-L524 HydrophobicContact CB-CD1 4.34Å; I411-L524 HydrophobicContact CG2-CD1 3.83Å; F497-L524 HydrophobicContact CZ-CD1 4.08Å; M501-L524 HydrophobicContact CE-CB 4.23Å; M501-L524 HydrophobicContact CE-CD2 3.98Å; M501-L524 HydrophobicContact CE-CG 3.78Å; M501-L524 HydrophobicContact SD-CD2 3.37Å; M501-L524 WeakPolarHBondContact SD-CD2 3.37Å; M501-L524 HydrophobicContact SD-CG 3.74Å; S520-L524 VanDerWaalsContact O-CB 3.3Å; S520-L524 WeakPolarHBondContact O-CB 3.38Å; S520-L524 PolarHBondContact O-N 2.98Å; Y521-L524 WeakPolarHBondContact O-CB 3.46Å; Y521-L524 PolarHBondContact O-N 2.98Å; L522-L524 VanDerWaalsContact C-N 3.25Å; L522-L524 PolarHBondContact O-N 3.29Å; L524-D526 VanDerWaalsContact C-N 3.33Å; L524-D526 PolarHBondContact O-N 3.14Å; L524-K527 PolarHBondContact O-N 3.2Å; L524-C528 PolarHBondContact O-N 2.71Å; L524-C528 VanDerWaalsContact O-N 3.11Å; L524-C528 PolarHBondContact O-SG 3.39Å
525I97.4Very high94.3Very high0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-57.1-46.6170.7-71.9170.1000110.7M501 Y521 L522 K527 C528 L529 L542 K546M501-I525 HydrophobicContact CE-CG1 3.56Å; Y521-I525 HydrophobicContact CD1-CD1 3.88Å; Y521-I525 HydrophobicContact CE1-CD1 3.35Å; Y521-I525 HydrophobicContact CE1-CG1 4.23Å; Y521-I525 PolarHBondContact O-N 3.36Å; L522-I525 PolarHBondContact O-N 2.9Å; I525-K527 VanDerWaalsContact C-N 3.27Å; I525-K527 PolarHBondContact O-N 2.67Å; I525-C528 WeakPolarHBondContact O-CA 3.42Å; I525-C528 PolarHBondContact O-N 2.94Å; I525-L529 HydrophobicContact CG2-CD1 3.75Å; I525-L529 HydrophobicContact CG2-CG 3.96Å; I525-L529 WeakPolarHBondContact O-CG 3.43Å; I525-L529 PolarHBondContact O-N 2.73Å; I525-L542 HydrophobicContact CG1-CD2 4.3Å; I525-L542 HydrophobicContact CG2-CB 4.3Å; I525-K546 HydrophobicContact CD1-CB 3.92Å; I525-K546 HydrophobicContact CD1-CG 4.18Å; I525-K546 HydrophobicContact CG2-CB 4.14Å; I525-K546 HydrophobicContact CG2-CD 4.01Å; I525-K546 HydrophobicContact CG2-CG 4.12Å
526D96.9Very high94.6Very high74 Ų7447.4 Ų47.440%0.39624%0.241SC..Hα-helixtrans-62.5-32.7-178-79.9-36.2000113.1L522 L524 K546L522-D526 PolarHBondContact O-N 3.2Å; L522-D526 VanDerWaalsContact O-N 3.1Å; L524-D526 VanDerWaalsContact C-N 3.33Å; L524-D526 PolarHBondContact O-N 3.14Å; D526-K546 IonicContact OD1-NZ 3.89Å; D526-K546 PolarHBondContact OD1-NZ 3.33Å; D526-K546 WeakPolarHBondContact OD2-CE 3.39Å; D526-K546 IonicContact OD2-NZ 2.78Å; D526-K546 PolarHBondContact OD2-NZ 3.27Å
527K95.9Very high94.7Very high64 Ų6445.3 Ų45.328%0.27824%0.238SC..Hα-helixtrans-65.8-42.7168.6-68.4173.2-178.3175.80112.2H408 I411 Q523 L524 I525 L529 I530 H531H408-K527 WeakPolarHBondContact CE1-CD 3.34Å; H408-K527 PolarHBondContact CE1-NZ 3.15Å; H408-K527 PolarHBondContact ND1-NZ 2.97Å; I411-K527 HydrophobicContact CG1-CB 3.88Å; I411-K527 HydrophobicContact CG2-CB 4.32Å; I411-K527 HydrophobicContact CG2-CD 3.75Å; Q523-K527 WeakPolarHBondContact O-CG 3.21Å; Q523-K527 PolarHBondContact O-N 3.35Å; L524-K527 PolarHBondContact O-N 3.2Å; I525-K527 VanDerWaalsContact C-N 3.27Å; I525-K527 PolarHBondContact O-N 2.67Å; K527-L529 PolarHBondContact O-N 3.36Å; K527-I530 WeakPolarHBondContact O-CG1 3.45Å; K527-I530 PolarHBondContact O-N 3.11Å; K527-H531 WeakPolarHBondContact O-CB 3.47Å; K527-H531 PolarHBondContact O-N 3.3Å; K527-H531 VanDerWaalsContact O-N 3.15Å
528C96.4Very high94.8Very high0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-68.9-32.5-179.3-58.80000113F497 L524 I525 H531 F534 L542F497-C528 VanDerWaalsContact CE1-SG 3.5Å; L524-C528 PolarHBondContact O-N 2.71Å; L524-C528 VanDerWaalsContact O-N 3.11Å; L524-C528 PolarHBondContact O-SG 3.39Å; I525-C528 WeakPolarHBondContact O-CA 3.42Å; I525-C528 PolarHBondContact O-N 2.94Å; C528-H531 PolarHBondContact O-N 3.12Å; C528-F534 HydrophobicContact CB-CE1 4.47Å; C528-F534 HydrophobicContact CB-CE2 4.4Å; C528-F534 HydrophobicContact CB-CZ 4.36Å; C528-L542 HydrophobicContact CB-CD1 3.73Å
529L96Very high95Very high41 Ų4147 Ų4722%0.21525%0.245CC..Hα-helixtrans-67.4-36.9177.8-69175.3000112.4I525 K527 K539 L542 L543I525-L529 HydrophobicContact CG2-CD1 3.75Å; I525-L529 HydrophobicContact CG2-CG 3.96Å; I525-L529 WeakPolarHBondContact O-CG 3.43Å; I525-L529 PolarHBondContact O-N 2.73Å; K527-L529 PolarHBondContact O-N 3.36Å; L529-K539 HydrophobicContact CD2-CB 3.86Å; L529-K539 HydrophobicContact CD2-CG 4.23Å; L529-K539 WeakPolarHBondContact CD2-O 3.41Å; L529-K539 WeakPolarHBondContact O-CD 3.42Å; L529-K539 WeakPolarHBondContact O-CE 3.4Å; L529-K539 PolarHBondContact O-NZ 3.42Å; L529-L542 HydrophobicContact CD2-CB 4.43Å; L529-L543 HydrophobicContact CD1-CD1 4.12Å; L529-L543 HydrophobicContact CD2-CB 4.44Å
530I94.6Very high95.2Very high139 Ų13951 Ų5171%0.71326%0.256SS*.Hα-helixtrans-81.4-21.4175.865.1174000113.5K527K527-I530 WeakPolarHBondContact O-CG1 3.45Å; K527-I530 PolarHBondContact O-N 3.11Å
531H93.8Very high95.1Very high18 Ų1857.5 Ų57.58%0.08328%0.277CS..  trans-71.9134.6-176.3-167.5-61.2000112I411 K527 C528 A533 F534 K539I411-H531 HydrophobicContact CD1-CB 4.27Å; K527-H531 WeakPolarHBondContact O-CB 3.47Å; K527-H531 PolarHBondContact O-N 3.3Å; K527-H531 VanDerWaalsContact O-N 3.15Å; C528-H531 PolarHBondContact O-N 3.12Å; H531-A533 PolarHBondContact ND1-N 2.85Å; H531-F534 HydrophobicContact CB-CD2 3.87Å; H531-F534 HydrophobicContact CB-CE2 4.23Å; H531-F534 AromaticContact CG-CD2 3.95Å; H531-F534 AromaticContact ND1-CD2 3.84Å; H531-K539 WeakPolarHBondContact O-CE 3.4Å; H531-K539 PolarHBondContact O-NZ 3.38Å
532E91Very high95.1Very high109 Ų10957.5 Ų57.551%0.50928%0.277SS..THydrogen-bonded Turntrans-78.8-31.7-170-73.1171.9-171.900114K326 F534K326-E532 WeakPolarHBondContact CD-OE2 3.5Å; K326-E532 IonicContact NZ-OE1 3.85Å; K326-E532 PolarHBondContact NZ-OE1 3.12Å; K326-E532 IonicContact NZ-OE2 3.07Å; K326-E532 PolarHBondContact NZ-OE2 3.22Å; E532-F534 PolarHBondContact O-N 2.99Å; E532-F534 VanDerWaalsContact O-N 3.12Å
533A92.8Very high95.1Very high7 Ų760.1 Ų60.16%0.05829%0.291CS..THydrogen-bonded Turntrans-65.6-9.8177.700000116.2I415 A417 P494 H531I415-A533 HydrophobicContact CB-CB 4.23Å; I415-A533 HydrophobicContact CG2-CB 3.73Å; I415-A533 WeakPolarHBondContact O-CB 3.39Å; A417-A533 HydrophobicContact CB-CB 4.39Å; P494-A533 WeakPolarHBondContact CB-O 3.5Å; P494-A533 HydrophobicContact CG-CB 4.25Å; P494-A533 VanDerWaalsContact CG-O 3.31Å; P494-A533 WeakPolarHBondContact CG-O 3.16Å; H531-A533 PolarHBondContact ND1-N 2.85Å
534F94.3Very high95.1Very high6 Ų657 Ų573%0.02628%0.282CS..SBendtrans-89129.1176-73.2-96.5000110.4I411 P494 F497 C528 H531 E532 Q538 K539 L542I411-F534 HydrophobicContact CD1-CE2 3.49Å; I411-F534 VanDerWaalsContact CD1-CE2 3.49Å; I411-F534 HydrophobicContact CD1-CZ 3.96Å; P494-F534 HydrophobicContact CB-CD1 4.31Å; P494-F534 HydrophobicContact CB-CE1 4.4Å; F497-F534 HydrophobicContact CB-CE1 4.35Å; F497-F534 HydrophobicContact CB-CZ 4.29Å; F497-F534 AromaticContact CD1-CE1 3.79Å; F497-F534 HydrophobicContact CD1-CE1 3.79Å; F497-F534 AromaticContact CD1-CZ 3.61Å; F497-F534 HydrophobicContact CD1-CZ 3.61Å; F497-F534 HydrophobicContact CE1-CE1 4.49Å; F497-F534 HydrophobicContact CE1-CZ 4.07Å; F497-F534 HydrophobicContact CG-CE1 4.31Å; F497-F534 AromaticContact CG-CZ 3.96Å; F497-F534 HydrophobicContact CG-CZ 3.96Å; C528-F534 HydrophobicContact CB-CE1 4.47Å; C528-F534 HydrophobicContact CB-CE2 4.4Å; C528-F534 HydrophobicContact CB-CZ 4.36Å; H531-F534 HydrophobicContact CB-CD2 3.87Å; H531-F534 HydrophobicContact CB-CE2 4.23Å; H531-F534 AromaticContact CG-CD2 3.95Å; H531-F534 AromaticContact ND1-CD2 3.84Å; E532-F534 PolarHBondContact O-N 2.99Å; E532-F534 VanDerWaalsContact O-N 3.12Å; F534-Q538 VanDerWaalsContact CA-OE1 3.32Å; F534-Q538 HydrophobicContact CD1-CB 4.35Å; F534-K539 HydrophobicContact CB-CG 4.1Å; F534-K539 VanDerWaalsContact O-CE 3.26Å; F534-K539 WeakPolarHBondContact O-CE 3.47Å; F534-L542 HydrophobicContact CD1-CD1 4.17Å
535T93.1Very high95.1Very high57 Ų5759.4 Ų59.435%0.3529%0.291SS..  trans-67.5155.3178.671.40000111.3T537 Q538 K539T535-T537 PolarHBondContact O-N 3.15Å; T535-T537 VanDerWaalsContact O-N 3.16Å; T535-T537 PolarHBondContact OG1-OG1 3.43Å; T535-Q538 WeakPolarHBondContact O-CA 3.28Å; T535-Q538 WeakPolarHBondContact O-CB 3.25Å; T535-Q538 PolarHBondContact O-N 2.75Å; T535-Q538 VanDerWaalsContact OG1-CG 3.25Å; T535-Q538 WeakPolarHBondContact OG1-CG 3.25Å; T535-Q538 PolarHBondContact OG1-N 3.26Å; T535-Q538 VanDerWaalsContact OG1-N 3.11Å; T535-K539 WeakPolarHBondContact O-CG 3.48Å; T535-K539 PolarHBondContact O-N 3.19Å
536E92.6Very high95Very high109 Ų10960.9 Ų60.951%0.50930%0.298SS..Hα-helixtrans-59.8-27.5176.1-179.853.8-158.600112.7K540E536-K540 HydrophobicContact CG-CD 4.38Å; E536-K540 VanDerWaalsContact CG-NZ 3.34Å; E536-K540 WeakPolarHBondContact O-CB 3.46Å; E536-K540 WeakPolarHBondContact O-CG 3.36Å; E536-K540 PolarHBondContact O-N 3.21Å; E536-K540 WeakPolarHBondContact OE1-CE 3.28Å; E536-K540 IonicContact OE1-NZ 3.71Å; E536-K540 PolarHBondContact OE1-NZ 2.9Å
537T92.4Very high94.9Very high98 Ų9863 Ų6360%0.60131%0.305SS*.Hα-helixtrans-72.9-36.3172.3500000113T535 R541T535-T537 PolarHBondContact O-N 3.15Å; T535-T537 VanDerWaalsContact O-N 3.16Å; T535-T537 PolarHBondContact OG1-OG1 3.43Å; T537-R541 WeakPolarHBondContact O-CG 3.24Å; T537-R541 PolarHBondContact O-N 2.95Å
538Q94.6Very high94.7Very high18 Ų1863.9 Ų63.98%0.08431%0.31CS..Hα-helixtrans-67.1-45.1171.3-69.5162.9-4.600110.7T498 F534 T535 K540 R541 L542T498-Q538 HydrophobicContact CG2-CB 4.13Å; T498-Q538 HydrophobicContact CG2-CG 4.13Å; F534-Q538 VanDerWaalsContact CA-OE1 3.32Å; F534-Q538 HydrophobicContact CD1-CB 4.35Å; T535-Q538 WeakPolarHBondContact O-CA 3.28Å; T535-Q538 WeakPolarHBondContact O-CB 3.25Å; T535-Q538 PolarHBondContact O-N 2.75Å; T535-Q538 VanDerWaalsContact OG1-CG 3.25Å; T535-Q538 WeakPolarHBondContact OG1-CG 3.25Å; T535-Q538 PolarHBondContact OG1-N 3.26Å; T535-Q538 VanDerWaalsContact OG1-N 3.11Å; Q538-K540 PolarHBondContact O-N 3.43Å; Q538-R541 WeakPolarHBondContact O-CB 3.4Å; Q538-R541 PolarHBondContact O-N 2.95Å; Q538-R541 VanDerWaalsContact O-N 3.15Å; Q538-L542 WeakPolarHBondContact O-CG 3.36Å; Q538-L542 PolarHBondContact O-N 2.92Å
539K96.6Very high94.4Very high37 Ų3764 Ų6416%0.16131%0.311CS..Hα-helixtrans-59.8-42.6177.8-69.2-176.3-179.6-168.90112.6L529 H531 F534 T535 R541 L542 L543L529-K539 HydrophobicContact CD2-CB 3.86Å; L529-K539 HydrophobicContact CD2-CG 4.23Å; L529-K539 WeakPolarHBondContact CD2-O 3.41Å; L529-K539 WeakPolarHBondContact O-CD 3.42Å; L529-K539 WeakPolarHBondContact O-CE 3.4Å; L529-K539 PolarHBondContact O-NZ 3.42Å; H531-K539 WeakPolarHBondContact O-CE 3.4Å; H531-K539 PolarHBondContact O-NZ 3.38Å; F534-K539 HydrophobicContact CB-CG 4.1Å; F534-K539 VanDerWaalsContact O-CE 3.26Å; F534-K539 WeakPolarHBondContact O-CE 3.47Å; T535-K539 WeakPolarHBondContact O-CG 3.48Å; T535-K539 PolarHBondContact O-N 3.19Å; K539-R541 PolarHBondContact O-N 2.99Å; K539-L542 PolarHBondContact O-N 3.32Å; K539-L543 WeakPolarHBondContact O-CB 3.49Å; K539-L543 PolarHBondContact O-N 3.1Å
540K96.4Very high94.2Very high125 Ų12565 Ų6554%0.54332%0.315SS..Hα-helixtrans-61.3-38.7173.9-79.4166.5168132.10113.3E536 Q538 S544E536-K540 HydrophobicContact CG-CD 4.38Å; E536-K540 VanDerWaalsContact CG-NZ 3.34Å; E536-K540 WeakPolarHBondContact O-CB 3.46Å; E536-K540 WeakPolarHBondContact O-CG 3.36Å; E536-K540 PolarHBondContact O-N 3.21Å; E536-K540 WeakPolarHBondContact OE1-CE 3.28Å; E536-K540 IonicContact OE1-NZ 3.71Å; E536-K540 PolarHBondContact OE1-NZ 2.9Å; Q538-K540 PolarHBondContact O-N 3.43Å; K540-S544 PolarHBondContact O-N 3.31Å; K540-S544 VanDerWaalsContact O-N 3.13Å
541R94.9Very high93.8Very high164 Ų16466 Ų6662%0.61931%0.314SS*.Hα-helixtrans-65.8-48.6173.7-71.9175.9175.7179.5-1.2111.8T537 Q538 K539 L543 S544 W545T537-R541 WeakPolarHBondContact O-CG 3.24Å; T537-R541 PolarHBondContact O-N 2.95Å; Q538-R541 WeakPolarHBondContact O-CB 3.4Å; Q538-R541 PolarHBondContact O-N 2.95Å; Q538-R541 VanDerWaalsContact O-N 3.15Å; K539-R541 PolarHBondContact O-N 2.99Å; R541-L543 VanDerWaalsContact C-N 3.29Å; R541-L543 PolarHBondContact O-N 3.08Å; R541-S544 WeakPolarHBondContact O-CB 3.42Å; R541-S544 PolarHBondContact O-N 3.21Å; R541-S544 VanDerWaalsContact O-N 3.12Å; R541-W545 HydrophobicContact CB-CH2 4.37Å; R541-W545 HydrophobicContact CB-CZ2 4.44Å; R541-W545 PolarHBondContact O-N 3.08Å
542L97.2Very high93.1Very high0 Ų068 Ų680%032%0.324CS..Hα-helixtrans-57.5-40.2176.2-70.7160.7000112M501 I525 C528 L529 F534 Q538 K539 W545 K546M501-L542 HydrophobicContact CB-CD2 3.9Å; M501-L542 HydrophobicContact CE-CD2 3.9Å; M501-L542 HydrophobicContact CG-CD2 4.15Å; I525-L542 HydrophobicContact CG1-CD2 4.3Å; I525-L542 HydrophobicContact CG2-CB 4.3Å; C528-L542 HydrophobicContact CB-CD1 3.73Å; L529-L542 HydrophobicContact CD2-CB 4.43Å; F534-L542 HydrophobicContact CD1-CD1 4.17Å; Q538-L542 WeakPolarHBondContact O-CG 3.36Å; Q538-L542 PolarHBondContact O-N 2.92Å; K539-L542 PolarHBondContact O-N 3.32Å; L542-W545 HydrophobicContact CD2-CE3 3.99Å; L542-W545 HydrophobicContact CD2-CZ3 4.04Å; L542-W545 HydrophobicContact CG-CE3 4.46Å; L542-W545 HydrophobicContact CG-CZ3 4.44Å; L542-W545 PolarHBondContact O-N 2.98Å; L542-K546 PolarHBondContact O-N 3.33Å
543L96.4Very high92.5Very high76 Ų7666 Ų6640%0.39831%0.314SS..Hα-helixtrans-67.4-35.8176.6-171.465.6000112.8L529 K539 R541 K546 Q547L529-L543 HydrophobicContact CD1-CD1 4.12Å; L529-L543 HydrophobicContact CD2-CB 4.44Å; K539-L543 WeakPolarHBondContact O-CB 3.49Å; K539-L543 PolarHBondContact O-N 3.1Å; R541-L543 VanDerWaalsContact C-N 3.29Å; R541-L543 PolarHBondContact O-N 3.08Å; L543-K546 HydrophobicContact CD1-CD 4.45Å; L543-K546 VanDerWaalsContact O-CB 3.31Å; L543-K546 WeakPolarHBondContact O-CB 3.21Å; L543-K546 PolarHBondContact O-N 3.37Å; L543-Q547 WeakPolarHBondContact O-CG 3.44Å; L543-Q547 PolarHBondContact O-N 3.37Å; L543-Q547 VanDerWaalsContact O-N 3.17Å
544S96.1Very high91.7Very high54 Ų5474.5 Ų74.538%0.37835%0.345SS..Hα-helixtrans-64.7-47.8173.6-173.30000111.4K540 R541 K546 Q547 Q548K540-S544 PolarHBondContact O-N 3.31Å; K540-S544 VanDerWaalsContact O-N 3.13Å; R541-S544 WeakPolarHBondContact O-CB 3.42Å; R541-S544 PolarHBondContact O-N 3.21Å; R541-S544 VanDerWaalsContact O-N 3.12Å; S544-K546 VanDerWaalsContact C-N 3.28Å; S544-K546 PolarHBondContact O-N 3.23Å; S544-Q547 WeakPolarHBondContact O-CB 3.38Å; S544-Q547 PolarHBondContact O-N 2.76Å; S544-Q547 VanDerWaalsContact O-N 3.08Å; S544-Q548 WeakPolarHBondContact O-CG 3.05Å; S544-Q548 PolarHBondContact O-N 3.09Å
545W96.6Very high90.3Very high52 Ų5278.2 Ų78.220%0.19737%0.371CS..Hα-helixtrans-59.6-37.5173.3-64.2-28.5000112.4T498 M501 C505 R541 L542 Q547 Q548 V549T498-W545 HydrophobicContact CG2-CH2 4.08Å; T498-W545 HydrophobicContact CG2-CZ3 3.98Å; T498-W545 WeakPolarHBondContact O-CH2 3.4Å; T498-W545 WeakPolarHBondContact O-CZ3 3.48Å; M501-W545 HydrophobicContact CB-CZ3 4.14Å; C505-W545 HydrophobicContact CB-CB 4.22Å; C505-W545 HydrophobicContact CB-CD2 4.31Å; C505-W545 HydrophobicContact CB-CG 4Å; C505-W545 VanDerWaalsContact SG-CB 3.56Å; R541-W545 HydrophobicContact CB-CH2 4.37Å; R541-W545 HydrophobicContact CB-CZ2 4.44Å; R541-W545 PolarHBondContact O-N 3.08Å; L542-W545 HydrophobicContact CD2-CE3 3.99Å; L542-W545 HydrophobicContact CD2-CZ3 4.04Å; L542-W545 HydrophobicContact CG-CE3 4.46Å; L542-W545 HydrophobicContact CG-CZ3 4.44Å; L542-W545 PolarHBondContact O-N 2.98Å; W545-Q547 VanDerWaalsContact C-N 3.31Å; W545-Q547 PolarHBondContact O-N 3.4Å; W545-Q548 PolarHBondContact O-N 3.15Å; W545-V549 PolarHBondContact O-N 2.79Å
546K95.6Very high88.5Confident30 Ų3080.4 Ų80.413%0.1338%0.377CS..Hα-helixtrans-55.5-46.6172.5-154.6-173.2-175.3-177.80111.6L522 I525 D526 L542 L543 S544 Q550L522-K546 HydrophobicContact CD2-CG 3.56Å; I525-K546 HydrophobicContact CD1-CB 3.92Å; I525-K546 HydrophobicContact CD1-CG 4.18Å; I525-K546 HydrophobicContact CG2-CB 4.14Å; I525-K546 HydrophobicContact CG2-CD 4.01Å; I525-K546 HydrophobicContact CG2-CG 4.12Å; D526-K546 IonicContact OD1-NZ 3.89Å; D526-K546 PolarHBondContact OD1-NZ 3.33Å; D526-K546 WeakPolarHBondContact OD2-CE 3.39Å; D526-K546 IonicContact OD2-NZ 2.78Å; D526-K546 PolarHBondContact OD2-NZ 3.27Å; L542-K546 PolarHBondContact O-N 3.33Å; L543-K546 HydrophobicContact CD1-CD 4.45Å; L543-K546 VanDerWaalsContact O-CB 3.31Å; L543-K546 WeakPolarHBondContact O-CB 3.21Å; L543-K546 PolarHBondContact O-N 3.37Å; S544-K546 VanDerWaalsContact C-N 3.28Å; S544-K546 PolarHBondContact O-N 3.23Å; K546-Q550 WeakPolarHBondContact O-CB 3.46Å; K546-Q550 WeakPolarHBondContact O-CG 3.33Å; K546-Q550 PolarHBondContact O-N 3.13Å
547Q94.8Very high86.2Confident118 Ų11880.7 Ų80.755%0.55139%0.388SS*.Hα-helixtrans-67.9-39-179.6-66.7171.428.800112L543 S544 W545 K551L543-Q547 WeakPolarHBondContact O-CG 3.44Å; L543-Q547 PolarHBondContact O-N 3.37Å; L543-Q547 VanDerWaalsContact O-N 3.17Å; S544-Q547 WeakPolarHBondContact O-CB 3.38Å; S544-Q547 PolarHBondContact O-N 2.76Å; S544-Q547 VanDerWaalsContact O-N 3.08Å; W545-Q547 VanDerWaalsContact C-N 3.31Å; W545-Q547 PolarHBondContact O-N 3.4Å; Q547-K551 WeakPolarHBondContact O-CB 3.27Å; Q547-K551 PolarHBondContact O-N 3.42Å
548Q91.9Very high84Confident84 Ų8484.5 Ų84.539%0.39339%0.391SS..Hα-helixtrans-62.6-51.4176.2-67.9172.1-10.900111.5L509 S544 W545 Q550 K551 L552L509-Q548 HydrophobicContact CD1-CB 4.35Å; L509-Q548 HydrophobicContact CD2-CB 4.21Å; S544-Q548 WeakPolarHBondContact O-CG 3.05Å; S544-Q548 PolarHBondContact O-N 3.09Å; W545-Q548 PolarHBondContact O-N 3.15Å; Q548-Q550 PolarHBondContact O-N 3.35Å; Q548-K551 WeakPolarHBondContact O-CB 3.11Å; Q548-K551 PolarHBondContact O-N 3.03Å; Q548-K551 VanDerWaalsContact O-N 3.12Å; Q548-L552 PolarHBondContact O-N 3.49Å; Q548-L552 VanDerWaalsContact O-N 3.12Å
549V91.3Very high81.3Confident2 Ų293.3 Ų93.31%0.01243%0.429CS..Hα-helixtrans-66.8-37178.41740000111.6L508 L509 I518 Y521 L522 W545 K551 L552 F553L508-V549 HydrophobicContact CB-CG2 4.44Å; L508-V549 HydrophobicContact CD1-CG2 4.38Å; L509-V549 HydrophobicContact CD2-CG2 4.28Å; I518-V549 HydrophobicContact CG2-CG1 3.87Å; Y521-V549 HydrophobicContact CD1-CB 4.46Å; Y521-V549 HydrophobicContact CD1-CG1 4.31Å; Y521-V549 HydrophobicContact CD1-CG2 4.07Å; Y521-V549 HydrophobicContact CE1-CG2 3.92Å; L522-V549 HydrophobicContact CD2-CB 4.4Å; L522-V549 HydrophobicContact CD2-CG1 4.21Å; L522-V549 HydrophobicContact CG-CG1 4.35Å; W545-V549 PolarHBondContact O-N 2.79Å; V549-K551 VanDerWaalsContact C-N 3.3Å; V549-K551 PolarHBondContact O-N 3.01Å; V549-L552 PolarHBondContact O-N 3.24Å; V549-F553 PolarHBondContact O-N 3.2Å
550Q90.7Very high78.3Confident63 Ų6397.4 Ų97.429%0.29446%0.457SS..Hα-helixtrans-66.4-27.9171.9-77-177.4-14.100113.4L522 K546 Q548 R554L522-Q550 HydrophobicContact CD1-CG 3.93Å; L522-Q550 HydrophobicContact CD2-CG 3.8Å; K546-Q550 WeakPolarHBondContact O-CB 3.46Å; K546-Q550 WeakPolarHBondContact O-CG 3.33Å; K546-Q550 PolarHBondContact O-N 3.13Å; Q548-Q550 PolarHBondContact O-N 3.35Å; Q550-R554 VanDerWaalsContact O-CG 3.29Å; Q550-R554 WeakPolarHBondContact O-CG 3.43Å; Q550-R554 PolarHBondContact O-N 3.03Å
551K87.5Confident75.4Confident160 Ų16096.2 Ų96.270%0.69646%0.457SS*.Hα-helixtrans-68.3-45.8172-171.4-178.4177.1-173.80110.3Q547 Q548 V549 F553 R554 S555Q547-K551 WeakPolarHBondContact O-CB 3.27Å; Q547-K551 PolarHBondContact O-N 3.42Å; Q548-K551 WeakPolarHBondContact O-CB 3.11Å; Q548-K551 PolarHBondContact O-N 3.03Å; Q548-K551 VanDerWaalsContact O-N 3.12Å; V549-K551 VanDerWaalsContact C-N 3.3Å; V549-K551 PolarHBondContact O-N 3.01Å; K551-F553 PolarHBondContact O-N 3.25Å; K551-R554 PolarHBondContact O-N 3.19Å; K551-R554 VanDerWaalsContact O-N 3.11Å; K551-S555 PolarHBondContact O-N 3.08Å; K551-S555 PolarHBondContact O-OG 2.84Å
552L78.5Confident72.6Confident58 Ų5895.1 Ų95.130%0.30446%0.462SS..Hα-helixtrans-59.4-45.4173.8-68.7-159.4000112.1L509 Q548 V549 R554 S555 F556L509-L552 HydrophobicContact CB-CD1 4.49Å; L509-L552 HydrophobicContact CD2-CD1 3.52Å; L509-L552 HydrophobicContact CD2-CG 3.82Å; Q548-L552 PolarHBondContact O-N 3.49Å; Q548-L552 VanDerWaalsContact O-N 3.12Å; V549-L552 PolarHBondContact O-N 3.24Å; L552-R554 PolarHBondContact O-N 3.44Å; L552-R554 VanDerWaalsContact O-N 3.13Å; L552-S555 WeakPolarHBondContact CA-OG 3.38Å; L552-S555 PolarHBondContact O-N 3.19Å; L552-S555 PolarHBondContact O-OG 3.15Å; L552-F556 WeakPolarHBondContact O-CD2 3.42Å; L552-F556 PolarHBondContact O-N 3.23Å
553F78.1Confident69.7Low67 Ų67102 Ų10229%0.29450%0.499SS..Hα-helixtrans-59.2-25.7176.9-169.8-114000113.5E515 I518 V549 K551E515-F553 HydrophobicContact CG-CE2 3.87Å; E515-F553 HydrophobicContact CG-CZ 4.46Å; E515-F553 WeakPolarHBondContact OE1-CE2 3.48Å; E515-F553 VanDerWaalsContact OE1-CZ 3.31Å; E515-F553 WeakPolarHBondContact OE1-CZ 3.41Å; I518-F553 HydrophobicContact CD1-CD2 4.29Å; I518-F553 HydrophobicContact CG2-CB 4.16Å; I518-F553 HydrophobicContact CG2-CD2 3.87Å; I518-F553 HydrophobicContact CG2-CG 4.16Å; V549-F553 PolarHBondContact O-N 3.2Å; K551-F553 PolarHBondContact O-N 3.25Å
554R76.3Confident66.8Low187 Ų187105.2 Ų105.271%0.70652%0.515SS*.Hα-helixtrans-89.2-19.2174.5-69.8173.4-171.9-1724.8114.2Q550 K551 L552Q550-R554 VanDerWaalsContact O-CG 3.29Å; Q550-R554 WeakPolarHBondContact O-CG 3.43Å; Q550-R554 PolarHBondContact O-N 3.03Å; K551-R554 PolarHBondContact O-N 3.19Å; K551-R554 VanDerWaalsContact O-N 3.11Å; L552-R554 PolarHBondContact O-N 3.44Å; L552-R554 VanDerWaalsContact O-N 3.13Å
555S65.4Low63.8Low83 Ų83107.8 Ų107.858%0.5853%0.533SS*.Hα-helixtrans-88.5-8.9177.1550000114.1K551 L552K551-S555 PolarHBondContact O-N 3.08Å; K551-S555 PolarHBondContact O-OG 2.84Å; L552-S555 WeakPolarHBondContact CA-OG 3.38Å; L552-S555 PolarHBondContact O-N 3.19Å; L552-S555 PolarHBondContact O-OG 3.15Å
556F54.9Low60.8Low104 Ų104108.1 Ų108.146%0.45655%0.552SS.*SBendtrans-60.4127161.8-75-83.7000109.1I518 L552 R558I518-F556 HydrophobicContact CD1-CE2 3.9Å; I518-F556 HydrophobicContact CD1-CZ 4.46Å; L552-F556 WeakPolarHBondContact O-CD2 3.42Å; L552-F556 PolarHBondContact O-N 3.23Å; F556-R558 PolarHBondContact O-N 2.95Å
557P44.9Very low57.8Low115 Ų115118 Ų11875%0.74759%0.591SS**  trans-66.8106.9-179.726.5-33.3000109.5K559P557-K559 PolarHBondContact O-N 2.73Å
558R44.6Very low54.7Low177 Ų177123.6 Ų123.667%0.66861%0.607SS**  trans-63.494.8171.4-70.8-179.6175.5178.6-4.2109.2F556 T560F556-R558 PolarHBondContact O-N 2.95Å; R558-T560 PolarHBondContact O-N 3.15Å
559K38.2Very low51.8Low204 Ų204128 Ų12889%0.88763%0.627SS**  trans-55.7106.1164.9-76.2-171.7173.6-176.20108P557 L561P557-K559 PolarHBondContact O-N 2.73Å; K559-L561 PolarHBondContact O-N 3.38Å
560T34.1Very low48.9Very low122 Ų122137.3 Ų137.375%0.74867%0.67SS**  trans3668.4169.4-42.70000116R558 L562R558-T560 PolarHBondContact O-N 3.15Å; T560-L562 HydrophobicContact CG2-CB 3.87Å; T560-L562 PolarHBondContact O-N 3.09Å
561L34.3Very low46Very low101 Ų101141 Ų14153%0.52968%0.682SS.*  trans-74.271.4159.9-158.1174.8000108.9K559 I564K559-L561 PolarHBondContact O-N 3.38Å; L561-I564 HydrophobicContact CD2-CB 4.32Å; L561-I564 HydrophobicContact CD2-CG2 4.19Å
562L37.3Very low43.1Very low140 Ų140140.7 Ų140.773%0.73369%0.688SS**  trans-138.119.4178.1-122.1172.7000113.1T560T560-L562 HydrophobicContact CG2-CB 3.87Å; T560-L562 PolarHBondContact O-N 3.09Å
563D36.3Very low40.9Very low145 Ų145149.7 Ų149.778%0.77572%0.718SS**SBendtrans-139.244.3165.7-161.416.7000113.1
564I35.2Very low38.5Very low144 Ų144149.7 Ų149.774%0.73874%0.736SS**  trans-131.514.5171.5-96.3125.9000112.4L561 G566L561-I564 HydrophobicContact CD2-CB 4.32Å; L561-I564 HydrophobicContact CD2-CG2 4.19Å; I564-G566 PolarHBondContact O-N 3.41Å
565S33.6Very low36.2Very low107 Ų107151 Ų15175%0.74875%0.747SS**SBendtrans-73.3-13.2164.7-56.70000113
566G33.5Very low34.4Very low59 Ų59150.3 Ų150.361%0.60875%0.754SS**SBendtrans-81.8-10-163.700000118.1I564I564-G566 PolarHBondContact O-N 3.41Å
567Y31.6Very low33.3Very low238 Ų238154 Ų15493%0.93377%0.772SS**  trans-131.759.1-177.2-92.5-79.4000113.9
568R30.3Very low32.5Very low236 Ų236153.1 Ų153.189%0.89177%0.768SS**PPolyproline II helixtrans-81.8130.3162.9-158.9178.3-161.5-178.96109.6Q570R568-Q570 PolarHBondContact O-N 2.83Å
569Q32Very low31.7Very low175 Ų175152.5 Ų152.582%0.81878%0.779SS**PPolyproline II helixtrans-55.7126.3178.3-71.5-175.8-10.600112.1
570Q29.1Very low31.3Very low198 Ų198148.3 Ų148.393%0.92578%0.775SS**PPolyproline II helixtrans-89.8116.4154.4-96.4-175.2-28.400109.3R568R568-Q570 PolarHBondContact O-N 2.83Å
571R29.6Very low31.2Very low142 Ų142150.2 Ų150.254%0.53678%0.78SS.*  trans-137.3143.3161.5-148172.4-176.9-126.12.1109.1G267 G269G267-R571 PolarHBondContact O-NE 3.23Å; G267-R571 VanDerWaalsContact O-NE 3.17Å; G267-R571 PolarHBondContact O-NH2 3.48Å; G269-R571 PolarHBondContact O-NH1 2.63Å
572N27.6Very low31.3Very low152 Ų152151.2 Ų151.281%0.81379%0.792SS**  trans-79.8123.3-144.9-171.518.9000116.5
573R31.9Very low30.9Very low248 Ų248151.5 Ų151.594%0.93680%0.8SS**  trans-152143.7141.8-77.1-171.2178.1-180-0.8106
574G28.2Very low30.6Very low66 Ų66149.5 Ų149.568%0.6880%0.803SS**  cis179.5140.1-5.500000108.7
575F28.6Very low30.2Very low215 Ų215146.1 Ų146.194%0.94381%0.805SS**  trans-28.9138.2-175.5-133.3-105.5000118.6
576G27Very low29.9Very low69 Ų69146.4 Ų146.471%0.71181%0.807SS**  trans167.491.3166.600000117.3
577Q31.7Very low29.6Very low182 Ų182152.4 Ų152.485%0.8582%0.821SS**  trans23.3118.9145.1-64.1165.86.600118.5
578S27.2Very low29.4Very low95 Ų95145 Ų14566%0.66482%0.817SS**  cis114.5130.531.260.20000111.2
579N28.4Very low29.3Very low165 Ų165140.2 Ų140.288%0.88282%0.82SS**  trans70.9149.1175.8-52.3-17.8000115.2
580S30.3Very low29.2Very low116 Ų116135.7 Ų135.781%0.81182%0.82SS**  cis-135.9175.911.8550000114
581L32.8Very low29.2Very low162 Ų162135.8 Ų135.885%0.84882%0.823SS**  trans-78.9156.9178-67.8165.9000112.8
582P36.1Very low29.2Very low122 Ų122132.7 Ų132.779%0.79284%0.835SS**  trans-82.7139.2170.633.6-33.2000112.5
583T29.1Very low29.3Very low145 Ų145136.8 Ų136.889%0.8984%0.839SS**  trans-110.4144.8162.5-65.50000108.6
584A29.7Very low29.2Very low103 Ų103136.8 Ų136.885%0.85184%0.839SS**  trans-77.3157.3-170.800000114.3
585G26.4Very low29.3Very low74 Ų74140.6 Ų140.676%0.76384%0.844SS**  trans145.9126.8148.700000118.2
586S26.6Very low30.2Very low113 Ų113135.1 Ų135.179%0.7983%0.83SS**  trans76.8121.8144.6-138.10000122.1
587M27.5Very low30.3Very low184 Ų184142.8 Ų142.891%0.90684%0.837SS**  27.3124.6128.9-49-59.8-17800119.9
588G28.1Very low30.1Very low83 Ų83140.3 Ų140.386%0.85683%0.826SS**  trans-176.6110.6163.600000115.3
589S28.1Very low30.2Very low136 Ų136144.7 Ų144.795%0.95183%0.829SS**  trans-75.4150.9170.5-53.20000111.8
590G28.8Very low30Very low79 Ų79144.2 Ų144.281%0.81482%0.822SS**  trans-176.498.9173.600000117
591M30.6Very low29.9Very low200 Ų200145 Ų14599%0.98582%0.816SS**  trans-78.3136.4165.9-17883.373.400110.1
592G28.9Very low30.3Very low77 Ų77142.7 Ų142.779%0.79481%0.81SS**  trans-173.3117.7174.300000116.8
593R29.7Very low29.9Very low239 Ų239141.8 Ų141.890%0.90281%0.807SS**  trans-93.9144.8165.3-65.3173.2171.5-114.48.1110.1
594R30.1Very low30Very low247 Ų247145.9 Ų145.993%0.93281%0.806SS**  163.6138.4117.5-91.2168177.8171.6-0.1114.5
595N30.2Very low29.8Very low147 Ų147147 Ų14779%0.78680%0.797SS**  trans-85.6169150.8-139.415.3000107.4
596P48Very low29.9Very low100 Ų100149.6 Ų149.665%0.64980%0.798SS**  cis-149-177.933.444-23.3000118
597R29.1Very low30.5Very low229 Ų229149.5 Ų149.586%0.86480%0.795SS**  trans42150.5143.9-69.4178.5176.1-172.6-1.3120.2
598Q26.4Very low30.4Very low130 Ų130146.4 Ų146.461%0.60779%0.791SS**  -176.1173.356-168.7163.3-42.300113.3
599Y29.1Very low30.4Very low188 Ų188147.4 Ų147.474%0.73779%0.792SS**  trans80132.9169.2-51.3-75.6000117.2
600Q24.7Very low30.4Very low155 Ų155152.3 Ų152.372%0.72479%0.789SS**  cis111.3107.84.6-79.4-162.8-53.200118.2
601I28Very low30.3Very low133 Ų133156.8 Ų156.868%0.68279%0.793SS**  trans71158.1138.1-62.2170.5000116
602P41.9Very low30.1Very low112 Ų112150.5 Ų150.573%0.72778%0.78SS**  cis-109.3173.8-8.712.812.2000113.4
603S27.9Very low30.3Very low104 Ų104154.2 Ų154.273%0.72778%0.781SS**  cis111.8114.518.2-57.80000113.8
604R29.7Very low30.5Very low231 Ų231150.6 Ų150.687%0.87278%0.779SS**  trans-172.2129.9137.9-111.5179.3172.7173.4-1.1116.6
605N25.5Very low30.3Very low126 Ų126141.6 Ų141.667%0.67476%0.763SS**  trans48.3111143.1-6320.7000121.7
606V29.6Very low30.5Very low129 Ų129141 Ų14178%0.78276%0.764SS**  59.8147.780.5-52.70000115.8
607P39.3Very low29.7Very low110 Ų110140.9 Ų140.971%0.71477%0.766SS**  cis-141.2178.819.844.1-25.5000118.7
608S25.4Very low29.7Very low120 Ų120132.8 Ų132.884%0.83975%0.754SS**  trans37.2142.9147.5-57.30000121.8
609A27.4Very low30.1Very low104 Ų104135.5 Ų135.586%0.8676%0.764SS**  cis-158.8-162.839.500000115.6
610R28.1Very low30.3Very low238 Ų238132.5 Ų132.590%0.89877%0.765SS**  trans-83.6142.4-161.4-77.4176.6170.6175.7-4.1117.6
611L27.6Very low30.6Very low173 Ų173130.3 Ų130.391%0.90677%0.767SS**  67.5124123.8-163.577.2000122.8
612G25.5Very low30.6Very low69 Ų69129.7 Ų129.771%0.71177%0.774SS**  trans96.5163.614800000117.6
613L33.3Very low29.9Very low155 Ų155131.9 Ų131.981%0.81278%0.78SS**  cis-171.4124.2-26.5-166.678.8000109
614L34.1Very low29.9Very low163 Ų163135.7 Ų135.785%0.85379%0.786SS**  trans58.3157.2168.2-66.3160.7000118.3
615G26Very low30.1Very low58 Ų58134.9 Ų134.960%0.59878%0.783SS**  cis175.6166.4-8.400000115.9
616T33.5Very low30.5Very low133 Ų133134.8 Ų134.882%0.81678%0.783SS**  trans58.599.2147.558.60000124.7
617S31.3Very low30.6Very low99 Ų99134 Ų13469%0.69278%0.779SS**  66.8128108.9-1630000124.5
618G29.3Very low30.4Very low58 Ų58134.4 Ų134.460%0.59878%0.779SS**  trans160.2118.4148.300000114.8
619F35.3Very low31Very low188 Ų188133.2 Ų133.283%0.82578%0.776SS**  71.5140.969.1-71.1-49.5000113.8
620V33.7Very low31.1Very low124 Ų124131.7 Ų131.775%0.75276%0.763SS**  cis-150.7154.28.1-104.50000107.8
621S29.5Very low32.3Very low109 Ų109126.1 Ų126.176%0.76276%0.758SS**  57.2136.768.1-166.50000116.9
622S28.5Very low32.7Very low120 Ų120124.9 Ų124.984%0.83976%0.758SS**  trans-153.5146.5160.577.20000112
623N27.1Very low33.1Very low158 Ų158128.6 Ų128.685%0.84576%0.76SS**  trans-161168.1177.7-163.11000108.9
624Q28.3Very low33.1Very low185 Ų185128.2 Ų128.286%0.86476%0.756SS**  trans-132.3172.3180-79.5-158.277.300115.4
625R33.1Very low33Very low213 Ų213128.1 Ų128.180%0.80475%0.749SS**  trans-128.6-172.5-167.8-58.4178.4167.3166.9-8.3110.6
626N34.5Very low33.5Very low125 Ų125133.4 Ų133.467%0.66876%0.758SS**  cis-165.2138.431.9-12516.7000109.2
627T32.9Very low33.1Very low113 Ų113130.5 Ų130.569%0.69375%0.754SS**  61.2130.494.471.20000120.5
628T34.9Very low33.1Very low118 Ų118136.8 Ų136.872%0.72476%0.763SS**  trans-150169.1152.843.30000111.3
629A36.8Very low33.3Very low95 Ų95140.2 Ų140.279%0.78576%0.763SS**  trans-145.8-178.4-174.900000113.2
630A30.7Very low32.9Very low71 Ų71137.1 Ų137.159%0.58776%0.755SS**  trans-133.6171.2-166.600000115Q35Q35-A630 HydrophobicContact CG-CB 4.02Å
631P52.9Low32.9Very low121 Ų121137.7 Ų137.779%0.78675%0.753SS**  trans-123.8179.9-16543.8-31.8000116.7
632T34.9Very low32.9Very low147 Ų147143.7 Ų143.790%0.90276%0.759SS**  trans-147170.6165.310000112.8
633I34.2Very low33.1Very low148 Ų148146.4 Ų146.476%0.75976%0.756SS**  trans-151.3163.3-167.4-132.4-179.6000108.4
634M33.6Very low33.1Very low147 Ų147143.8 Ų143.872%0.72476%0.757SS**  cis-138.4-151.614.5-126.8174.7-167.800107.6
635K32.7Very low33.4Very low161 Ų161142 Ų14270%0.775%0.753SS**  cis-167.9169-5.5-121-173.6-173.6-169.20104.9
636Q36.7Very low33.9Very low168 Ų168138 Ų13879%0.78575%0.754SS**  cis-163.2153.9-24.8-141.6172.9-24.700107.8
637G23.8Very low33.5Very low72 Ų72135.6 Ų135.674%0.74276%0.76SS**  trans172.6160.3175.800000113.5
638R32.3Very low33.1Very low232 Ų232133.6 Ų133.688%0.87576%0.762SS**  trans-154.7159-166.3-100-172.4-176.8-147.914.9110.2
639Q33Very low32.8Very low130 Ų130133.2 Ų133.261%0.60776%0.764SS**  cis-159.5-1701.2-147.5-179.8-100.700110.7
640N27.6Very low32.3Very low123 Ų123136.1 Ų136.166%0.65877%0.766SS**  trans76.5127.6168.2-60.3-2000114.9
641L32Very low32.2Very low135 Ų135138.6 Ų138.671%0.70778%0.779SS**  cis94.9116.240.6-81.1167.7000113
642W30.6Very low31.1Very low236 Ų236141.4 Ų141.489%0.89478%0.784SS**  176.6172.2125.2-94.8104000111.5
643F33.3Very low31.7Very low177 Ų177139.1 Ų139.178%0.77677%0.771SS**  trans-104.2162.9-159.1-74.2-112.2000115.5
644A26.6Very low31.4Very low103 Ų103138.2 Ų138.285%0.85178%0.779SS**  trans-154.1138.7140.900000112.3
645N33.6Very low31.3Very low148 Ų148141.1 Ų141.179%0.79178%0.782SS**  trans-162.4140.1171.7-167.216.1000108
646P44.7Very low31.2Very low127 Ų127140.4 Ų140.483%0.82579%0.791SS**  -145.2165.6105.136.6-20.4000112
647G25.1Very low31Very low76 Ų76139.4 Ų139.478%0.78479%0.786SS**  cis133.7155.832.500000107.3
648G25.9Very low31.3Very low71 Ų71141 Ų14173%0.73279%0.786SS**  cis178.5179.5-6.400000112.7
649S28.2Very low31.3Very low110 Ų110135 Ų13577%0.76978%0.78SS**  trans81.6128.4157.8-54.60000122.5
650N27.1Very low31.2Very low155 Ų155135.6 Ų135.683%0.82979%0.791SS**  trans72.4139.2154-54.6-15.9000118.2
651S27.6Very low31.5Very low124 Ų124138.5 Ų138.587%0.86780%0.801SS**  cis-135.5172.113.1-680000113.4
652M30.7Very low31.6Very low179 Ų179143.1 Ų143.188%0.88281%0.809SS**  trans-112-166.2-175.4-147.7-155.1-17600112.7
653P46.6Very low31.8Very low99 Ų99138.9 Ų138.964%0.64381%0.809SS**  -107.1-177.1-10840.4-27.8000115.5
654S27.3Very low31.9Very low130 Ų130141.1 Ų141.191%0.90981%0.812SS**  trans-144.6153.4156.4-810000111.4
655R32.5Very low32.2Very low208 Ų208141.1 Ų141.179%0.78581%0.807SS**  trans-142.1123.2-158.8176.2-169.3-171.5-124.910.9111.2H657R655-H657 VanDerWaalsContact CZ-NE2 3.34Å; R655-H657 PolarHBondContact NH2-NE2 3.17Å
656T30.2Very low32Very low146 Ų146141.8 Ų141.890%0.89681%0.809SS**  trans-135.9149.7170.538.80000111
657H32.7Very low32Very low146 Ų146140.9 Ų140.968%0.67680%0.803SS**  trans-122.2143.3-174.5-80.7-93.8000111.3R655R655-H657 VanDerWaalsContact CZ-NE2 3.34Å; R655-H657 PolarHBondContact NH2-NE2 3.17Å
658S29.5Very low32.3Very low106 Ų106143.3 Ų143.374%0.74180%0.803SS**  trans-161.595.8152.743.30000109.2
659S32.7Very low32.5Very low107 Ų107148.7 Ų148.775%0.74881%0.808SS**  71.180.279.774.80000114.1
660V31.5Very low32.7Very low141 Ų141148.5 Ų148.586%0.85580%0.803SS**PPolyproline II helixtrans-74.2124.9167.5177.30000109.6
661Q32.7Very low32.7Very low184 Ų184146.2 Ų146.286%0.8680%0.799SS**PPolyproline II helixtrans-91.2127.6171.8-73.6-172.3-22.400111.3
662R35Very low33.4Very low233 Ų233145.1 Ų145.188%0.87979%0.789SS**PPolyproline II helixtrans-86.4134.9160.8-75.1-178.3170.2101.7-8.6109.4
663T35.5Very low33.4Very low146 Ų146145 Ų14590%0.89679%0.786SS**PPolyproline II helixtrans-85.8155.7153.245.30000109.7
664R33.6Very low32.6Very low224 Ų224148.2 Ų148.285%0.84580%0.798SS**  trans-123.8158.3-171.6-76.3174.1148.8177.1-7111.2
665S33.2Very low32.6Very low104 Ų104150.1 Ų150.173%0.72779%0.794SS**  trans64.6156.2146.645.20000118
666L30.7Very low32.6Very low162 Ų162147 Ų14785%0.84879%0.792SS**  cis-170.7-178.2-9.5-103.7166.8000105.3
667P43.6Very low32.6Very low107 Ų107147.6 Ų147.670%0.69579%0.787SS**  cis-123.7-175.4-21.639.2-23.8000112.9
668V32.7Very low32.5Very low128 Ų128149.8 Ų149.878%0.77680%0.795SS**  trans-102.4149.2163.1173.60000109.3T670V668-T670 HydrophobicContact CG1-CG2 4.08Å
669H29.4Very low32.4Very low183 Ų183153 Ų15385%0.84780%0.798SS**  trans-130.7145.2170-141.3-76.4000110.3
670T31.5Very low32.2Very low106 Ų106155.5 Ų155.565%0.6580%0.798SS**  trans-142.3176.2-175.157.90000112.3V668V668-T670 HydrophobicContact CG1-CG2 4.08Å
671S28.1Very low32.6Very low108 Ų108153.8 Ų153.876%0.75579%0.79SS**  trans77.1160.2171.4850000116.6
672P42Very low32.3Very low101 Ų101152.4 Ų152.466%0.65678%0.783SS**  cis-136.7-158.5-49.234.6-15.7000112.3
673Q30.6Very low31.9Very low175 Ų175149.2 Ų149.282%0.81878%0.776SS**  trans77.893.7163.1-62.9163.43.400118.4
674N29.6Very low31.7Very low167 Ų167150.6 Ų150.689%0.89377%0.773SS**  -147.8151.5100.6-117.4-18.7000110.5
675M28Very low31.6Very low170 Ų170148 Ų14884%0.83778%0.775SS**  trans-139.4170.7-171.3-111.6-74.7-173.100109.7
676L32.4Very low32Very low142 Ų142148.4 Ų148.474%0.74378%0.775SS**  trans76.1135.1-179.1-47.5173.2000114.5
677M30.4Very low32.3Very low159 Ų159146.8 Ų146.878%0.78377%0.771SS**  cis-166.9141.8-19.7-129.1178-168.500108.6
678F30.1Very low32.2Very low192 Ų192146.4 Ų146.484%0.84277%0.767SS**  -173163.6123.6-116.2-83.8000112.3
679Q28.1Very low33Very low174 Ų174148 Ų14881%0.81377%0.766SS**  trans-60.9155.8-159.8-127.7123.615.500118.8
680Q26.7Very low34.1Very low160 Ų160143.2 Ų143.275%0.74875%0.751SS**  trans-76.5168.4163.3-100.6-120.31.500111.3E682Q680-E682 VanDerWaalsContact OE1-N 3.16Å
681P40.3Very low35.5Very low104 Ų104142.6 Ų142.668%0.67574%0.744SS**  cis-143.8165.34242.1-22.2000121.9
682E26.8Very low37.3Very low155 Ų155142.3 Ų142.372%0.72473%0.733SS**  trans87.1144.3141.8-84.8165.5160.600123.9Q680Q680-E682 VanDerWaalsContact OE1-N 3.16Å
683F27.8Very low38.2Very low167 Ų167142.6 Ų142.673%0.73273%0.729SS**  trans6692.4172.8-80.5-82.9000123
684Q29.5Very low39.9Very low175 Ų175138.9 Ų138.982%0.81872%0.715SS**  trans54.7124.1134.2-67.7-179.9-2800121.6
685L31.5Very low42.1Very low170 Ų170140.4 Ų140.489%0.8971%0.708SS**  trans-122162.4171-85.2172.3000110.9
686P42.7Very low44.3Very low112 Ų112137.1 Ų137.173%0.72769%0.693SS**PPolyproline II helixtrans-79161.4-166.431.5-36.8000115.5
687V36.3Very low45.9Very low128 Ų128136.6 Ų136.678%0.77669%0.687SS**PPolyproline II helixtrans-63.7140.7178.1-179.90000111.5
688T42.1Very low48.2Very low99 Ų99132.5 Ų132.561%0.60767%0.674SS**PPolyproline II helixtrans-100.3154.7176.654.50000111.4P690T688-P690 WeakPolarHBondContact O-CD 3.35Å
689E49.8Very low50.5Low161 Ų161128.1 Ų128.175%0.75266%0.659SS**THydrogen-bonded Turntrans-58.9-24.1-174.2-65.9-166.4126.500118.3D691 I692E689-D691 PolarHBondContact O-N 3.14Å; E689-D691 VanDerWaalsContact O-N 3.1Å; E689-I692 WeakPolarHBondContact O-CB 3.31Å; E689-I692 PolarHBondContact O-N 3.02Å
690P52.4Low52.6Low82 Ų82123.4 Ų123.453%0.53265%0.645SS.*Hα-helixtrans-56.1-30.2-175.3-29.737.3000115.9T688 I692 N694T688-P690 WeakPolarHBondContact O-CD 3.35Å; P690-I692 VanDerWaalsContact C-N 3.28Å; P690-I692 PolarHBondContact O-N 2.62Å; P690-N694 PolarHBondContact O-N 3.03Å; P690-N694 PolarHBondContact O-ND2 3.48Å
691D59.9Low54.8Low94 Ų94121.7 Ų121.750%0.50364%0.64SS.*Hα-helixtrans-66.7-27.7177.9-84-54.9000113.3E689 R695E689-D691 PolarHBondContact O-N 3.14Å; E689-D691 VanDerWaalsContact O-N 3.1Å; D691-R695 WeakPolarHBondContact O-CB 3.43Å; D691-R695 WeakPolarHBondContact O-CG 3.23Å; D691-R695 PolarHBondContact O-N 3.43Å
692I66.9Low56.3Low102 Ų102119.2 Ų119.252%0.52363%0.625SS.*Hα-helixtrans-67.7-45.4-177-59.2176.8000110E689 P690 R695 L696E689-I692 WeakPolarHBondContact O-CB 3.31Å; E689-I692 PolarHBondContact O-N 3.02Å; P690-I692 VanDerWaalsContact C-N 3.28Å; P690-I692 PolarHBondContact O-N 2.62Å; I692-R695 PolarHBondContact O-N 3.01Å; I692-L696 WeakPolarHBondContact O-CB 3.46Å; I692-L696 PolarHBondContact O-N 3.11Å
693N59.5Low58.5Low106 Ų106118 Ų11857%0.56762%0.621SS**Hα-helixtrans-67.1-41.8178.1-75.4-4.3000112R695 L696 E697N693-R695 VanDerWaalsContact C-N 3.3Å; N693-R695 PolarHBondContact O-N 3.25Å; N693-L696 PolarHBondContact O-N 2.98Å; N693-L696 VanDerWaalsContact O-N 3.09Å; N693-E697 PolarHBondContact O-N 3.01Å
694N68Low60.6Low98 Ų98114.1 Ų114.152%0.52461%0.611SS.*Hα-helixtrans-60.9-39.7176.4-77.6-84.9000111.9P690 S698P690-N694 PolarHBondContact O-N 3.03Å; P690-N694 PolarHBondContact O-ND2 3.48Å; N694-S698 WeakPolarHBondContact O-CB 3.32Å; N694-S698 PolarHBondContact O-N 3.28Å; N694-S698 VanDerWaalsContact O-N 3.09Å; N694-S698 PolarHBondContact O-OG 2.99Å
695R75.1Confident62.7Low198 Ų198112.6 Ų112.675%0.74760%0.604SS**Hα-helixtrans-66.1-38.5172.1-76.2179.3169.5-143.1-3.4112.6D691 I692 N693 S698 L699D691-R695 WeakPolarHBondContact O-CB 3.43Å; D691-R695 WeakPolarHBondContact O-CG 3.23Å; D691-R695 PolarHBondContact O-N 3.43Å; I692-R695 PolarHBondContact O-N 3.01Å; N693-R695 VanDerWaalsContact C-N 3.3Å; N693-R695 PolarHBondContact O-N 3.25Å; R695-S698 PolarHBondContact O-N 2.93Å; R695-L699 WeakPolarHBondContact O-CB 3.41Å; R695-L699 PolarHBondContact O-N 3.44Å
696L73Confident64.4Low101 Ų101111 Ų11153%0.52959%0.591SS.*Hα-helixtrans-67.5-43.9179.3-141.377.6000112I692 N693 L699 C700I692-L696 WeakPolarHBondContact O-CB 3.46Å; I692-L696 PolarHBondContact O-N 3.11Å; N693-L696 PolarHBondContact O-N 2.98Å; N693-L696 VanDerWaalsContact O-N 3.09Å; L696-L699 PolarHBondContact O-N 2.72Å; L696-C700 PolarHBondContact O-N 3.16Å; L696-C700 PolarHBondContact O-SG 3.44Å; L696-C700 VanDerWaalsContact O-SG 3.42Å
697E66.9Low65.5Low131 Ų131109.6 Ų109.661%0.61259%0.589SS**Hα-helixtrans-63.6-42.7175.3-70.9-177.6-171.300111.3N693 L699 C700 L701N693-E697 PolarHBondContact O-N 3.01Å; E697-L699 VanDerWaalsContact C-N 3.34Å; E697-L699 PolarHBondContact O-N 3.37Å; E697-C700 PolarHBondContact O-N 3.1Å; E697-L701 WeakPolarHBondContact O-CB 3.46Å; E697-L701 WeakPolarHBondContact O-CG 3.44Å; E697-L701 PolarHBondContact O-N 3.23Å
698S78.4Confident66.8Low74 Ų74110.3 Ų110.352%0.51759%0.588SS.*Hα-helixtrans-60.5-40.9174.5-57.70000112.6N694 R695 S702N694-S698 WeakPolarHBondContact O-CB 3.32Å; N694-S698 PolarHBondContact O-N 3.28Å; N694-S698 VanDerWaalsContact O-N 3.09Å; N694-S698 PolarHBondContact O-OG 2.99Å; R695-S698 PolarHBondContact O-N 2.93Å; S698-S702 WeakPolarHBondContact O-CB 3.29Å; S698-S702 PolarHBondContact O-N 2.9Å
699L78.9Confident67.4Low100 Ų100108 Ų10852%0.52458%0.584SS.*Hα-helixtrans-67.4-44177.1-176.866.9000111.7R695 L696 E697 L701 S702 M703R695-L699 WeakPolarHBondContact O-CB 3.41Å; R695-L699 PolarHBondContact O-N 3.44Å; L696-L699 PolarHBondContact O-N 2.72Å; E697-L699 VanDerWaalsContact C-N 3.34Å; E697-L699 PolarHBondContact O-N 3.37Å; L699-L701 VanDerWaalsContact C-N 3.34Å; L699-L701 PolarHBondContact O-N 3.27Å; L699-S702 PolarHBondContact O-N 2.97Å; L699-M703 HydrophobicContact CG-SD 4.48Å; L699-M703 WeakPolarHBondContact O-CB 3.07Å; L699-M703 WeakPolarHBondContact O-CG 3.32Å; L699-M703 PolarHBondContact O-N 3.3Å
700C72.9Confident67.4Low75 Ų75108 Ų10851%0.50759%0.589SS.*Hα-helixtrans-63.5-38.2176.3-73.90000112.5L696 E697 T704L696-C700 PolarHBondContact O-N 3.16Å; L696-C700 PolarHBondContact O-SG 3.44Å; L696-C700 VanDerWaalsContact O-SG 3.42Å; E697-C700 PolarHBondContact O-N 3.1Å; C700-T704 WeakPolarHBondContact O-CB 3.34Å; C700-T704 PolarHBondContact O-N 2.98Å; C700-T704 VanDerWaalsContact O-N 3.11Å; C700-T704 PolarHBondContact O-OG1 3.3Å
701L71.5Confident67.4Low124 Ų124107.1 Ų107.165%0.64959%0.594SS**Hα-helixtrans-62.3-53.8172.7-75.8163.5000110.9E697 L699 M703 T704 E705E697-L701 WeakPolarHBondContact O-CB 3.46Å; E697-L701 WeakPolarHBondContact O-CG 3.44Å; E697-L701 PolarHBondContact O-N 3.23Å; L699-L701 VanDerWaalsContact C-N 3.34Å; L699-L701 PolarHBondContact O-N 3.27Å; L701-M703 PolarHBondContact O-N 2.94Å; L701-T704 WeakPolarHBondContact O-CB 3.2Å; L701-T704 PolarHBondContact O-N 3.25Å; L701-E705 PolarHBondContact O-N 2.91Å
702S71.8Confident66.8Low52 Ų52108.4 Ų108.436%0.36461%0.605SS.*Hα-helixtrans-60.1-41.1-179.5178.50000113.2S698 L699 T704 E705 H706S698-S702 WeakPolarHBondContact O-CB 3.29Å; S698-S702 PolarHBondContact O-N 2.9Å; L699-S702 PolarHBondContact O-N 2.97Å; S702-T704 VanDerWaalsContact C-N 3.32Å; S702-T704 PolarHBondContact O-N 3.37Å; S702-E705 PolarHBondContact O-N 2.9Å; S702-H706 PolarHBondContact O-CD2 3.27Å; S702-H706 PolarHBondContact O-N 3.39Å
703M72.7Confident65.6Low129 Ų129110.2 Ų110.264%0.63562%0.616SS**Hα-helixtrans-65.6-33.7174.3-74.6-17169.300112.9L699 L701 A707L699-M703 HydrophobicContact CG-SD 4.48Å; L699-M703 WeakPolarHBondContact O-CB 3.07Å; L699-M703 WeakPolarHBondContact O-CG 3.32Å; L699-M703 PolarHBondContact O-N 3.3Å; L701-M703 PolarHBondContact O-N 2.94Å; M703-A707 VanDerWaalsContact O-CB 3.31Å; M703-A707 WeakPolarHBondContact O-CB 3.42Å; M703-A707 PolarHBondContact O-N 2.77Å; M703-A707 VanDerWaalsContact O-N 3.14Å
704T73Confident64.7Low85 Ų85116.7 Ų116.752%0.52163%0.633SS.*Hα-helixtrans-73.3-38.7177.1-55.60000111.2C700 L701 S702 A707 L708C700-T704 WeakPolarHBondContact O-CB 3.34Å; C700-T704 PolarHBondContact O-N 2.98Å; C700-T704 VanDerWaalsContact O-N 3.11Å; C700-T704 PolarHBondContact O-OG1 3.3Å; L701-T704 WeakPolarHBondContact O-CB 3.2Å; L701-T704 PolarHBondContact O-N 3.25Å; S702-T704 VanDerWaalsContact C-N 3.32Å; S702-T704 PolarHBondContact O-N 3.37Å; T704-A707 PolarHBondContact O-N 3.38Å; T704-L708 HydrophobicContact CG2-CD1 4.11Å; T704-L708 WeakPolarHBondContact O-CG 3.19Å; T704-L708 PolarHBondContact O-N 3.42Å
705E72.9Confident63.3Low144 Ų144118.3 Ų118.367%0.67365%0.646SS**Hα-helixtrans-64.1-48.8176.4-171.9171.4-169.800111.3L701 S702 A707 L708 G709L701-E705 PolarHBondContact O-N 2.91Å; S702-E705 PolarHBondContact O-N 2.9Å; E705-A707 VanDerWaalsContact C-N 3.3Å; E705-A707 PolarHBondContact O-N 2.9Å; E705-L708 PolarHBondContact O-N 3.29Å; E705-G709 PolarHBondContact O-N 3.39Å
706H67.3Low61.5Low136 Ų136114.4 Ų114.463%0.6365%0.649SS**Hα-helixtrans-61.9-34.5174.2-85.6-70.6000113.3S702 L708S702-H706 PolarHBondContact O-CD2 3.27Å; S702-H706 PolarHBondContact O-N 3.39Å; H706-L708 PolarHBondContact O-N 3.28Å
707A67Low59.8Low83 Ų83115.8 Ų115.869%0.68666%0.662SS**Hα-helixtrans-70.9-10175.900000114.3M703 T704 E705M703-A707 VanDerWaalsContact O-CB 3.31Å; M703-A707 WeakPolarHBondContact O-CB 3.42Å; M703-A707 PolarHBondContact O-N 2.77Å; M703-A707 VanDerWaalsContact O-N 3.14Å; T704-A707 PolarHBondContact O-N 3.38Å; E705-A707 VanDerWaalsContact C-N 3.3Å; E705-A707 PolarHBondContact O-N 2.9Å
708L63.5Low58.3Low142 Ų142121 Ų12174%0.74369%0.691SS**Hα-helixtrans-116.3-12.3180-65.1172.6000113.5T704 E705 H706T704-L708 HydrophobicContact CG2-CD1 4.11Å; T704-L708 WeakPolarHBondContact O-CG 3.19Å; T704-L708 PolarHBondContact O-N 3.42Å; E705-L708 PolarHBondContact O-N 3.29Å; H706-L708 PolarHBondContact O-N 3.28Å
709G53.3Low57.3Low50 Ų50123.3 Ų123.352%0.51570%0.7SS.*Hα-helixtrans-82.8-32-173.400000116.3E705 G711E705-G709 PolarHBondContact O-N 3.39Å; G709-G711 PolarHBondContact O-N 2.85Å
710D50.9Low56.1Low163 Ų163124.5 Ų124.587%0.87271%0.709SS**THydrogen-bonded Turntrans-77.743.7-173.7-74.6-15.8000113.5
711G51.9Low55.2Low62 Ų62127.3 Ų127.364%0.63972%0.721SS**THydrogen-bonded Turntrans-128.50.2-165.100000117.6G709G709-G711 PolarHBondContact O-N 2.85Å
712V46.8Very low54.2Low121 Ų121127.5 Ų127.573%0.73373%0.725SS**  trans-143.8153.3-176.4-136.30000113.6
713D41.6Very low53.1Low140 Ų140132.2 Ų132.275%0.74975%0.747SS**  trans63.893.6161.7-58.4-34.4000120.1
714R41Very low51.8Low243 Ų243132.4 Ų132.492%0.91776%0.755SS**  -166.3101.7124.1-106.9175.6-169103.9-1.7113
715T38.1Very low50.3Low132 Ų132135.8 Ų135.881%0.8177%0.771SS**  trans-154.3131.8159.69.40000110.4
716S38Very low48.6Very low116 Ų116135.2 Ų135.281%0.81178%0.779SS**  trans72.6145.1-178-16.30000113.6
717T37.1Very low47Very low129 Ų129135.1 Ų135.179%0.79179%0.791SS**  cis-147.4162.38.5-45.70000110.2
718I35.3Very low45.2Very low240 Ų240139.8 Ų139.8100%1.23180%0.801SS**  trans82.30178.2-47.6-180000112.9

Retrieved 718 of 718 residues in 95.4 ms (Link to these results)

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