A0A087XCF4_POEFO Loading...

Hepatocyte growth factor-regulated tyrosine kinase substrate

AlphaFold DB , UniProt , Accession A0A087XCF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 772 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
1M42.8Very low68.9Low253 Ų25387 Ų87100%1.24652%0.518SS*.  0145.60-71.8175.7169.900108.5
2G46.2Very low71.1Confident76 Ų7680.3 Ų80.378%0.78448%0.478SS*.  trans118.578168.600000116.3
3K39.4Very low72.9Confident219 Ų21980.9 Ų80.995%0.95248%0.477SS*.SBendtrans-178.9120147.3-102.7166.9-177.3-177.20107.3
4G40.1Very low74.4Confident40 Ų4081.2 Ų81.241%0.41247%0.47SS..SBendtrans155.8-46.2-174.100000111.8G6 T7G4-G6 VanDerWaalsContact C-N 3.31Å; G4-G6 PolarHBondContact O-N 3.21Å; G4-T7 PolarHBondContact O-N 3.31Å
5G50.3Low75.7Confident65 Ų6575.9 Ų75.967%0.6744%0.439SS*.THydrogen-bonded Turntrans-66.984.8168.300000112.1E9G5-E9 VanDerWaalsContact C-CD 3.45Å; G5-E9 VanDerWaalsContact C-OE1 3.26Å; G5-E9 WeakPolarHBondContact CA-OE1 3.39Å; G5-E9 VanDerWaalsContact CA-OE2 3.28Å; G5-E9 WeakPolarHBondContact CA-OE2 3.44Å
6G75.4Confident76.9Confident43 Ų4371.2 Ų71.244%0.44341%0.412SS..THydrogen-bonded Turntrans-177.7-35.1176.200000110.7G4 E9 R10G4-G6 VanDerWaalsContact C-N 3.31Å; G4-G6 PolarHBondContact O-N 3.21Å; G6-E9 WeakPolarHBondContact CA-OE2 3.49Å; G6-E9 PolarHBondContact N-OE2 3.21Å; G6-R10 WeakPolarHBondContact O-CB 3.27Å; G6-R10 PolarHBondContact O-N 2.94Å
7T88.7Confident77.9Confident70 Ų7069.2 Ų69.243%0.42940%0.403SS..Hα-helixtrans-75.4-49.4176.5-52.10000111.3G4 E9 R10 L11 L34G4-T7 PolarHBondContact O-N 3.31Å; T7-E9 PolarHBondContact O-N 3.2Å; T7-R10 PolarHBondContact O-N 2.9Å; T7-L11 HydrophobicContact CG2-CD1 4.17Å; T7-L11 VanDerWaalsContact O-CG 3.29Å; T7-L11 WeakPolarHBondContact O-CG 3.39Å; T7-L11 PolarHBondContact O-N 3.32Å; T7-L34 HydrophobicContact CG2-CD1 4.03Å
8F93.1Very high78.6Confident0 Ų072.5 Ų72.50%041%0.414CS..Hα-helixtrans-61.9-43.3179163.8-91.3000111.7L11 L12 I31 L34 T40 Y44 A45 A48F8-L11 PolarHBondContact O-N 3.21Å; F8-L12 HydrophobicContact CE1-CD2 4.02Å; F8-L12 HydrophobicContact CZ-CD2 4Å; F8-L12 WeakPolarHBondContact O-CB 3.29Å; F8-L12 PolarHBondContact O-N 3.35Å; F8-I31 HydrophobicContact CD2-CG1 4.28Å; F8-I31 HydrophobicContact CD2-CG2 4.15Å; F8-I31 HydrophobicContact CE2-CG1 4.44Å; F8-I31 HydrophobicContact CE2-CG2 3.78Å; F8-L34 HydrophobicContact CB-CD1 4.13Å; F8-T40 HydrophobicContact CB-CG2 4.17Å; F8-T40 WeakPolarHBondContact CB-OG1 3.35Å; F8-T40 HydrophobicContact CD1-CG2 4.1Å; F8-T40 HydrophobicContact CD2-CG2 3.74Å; F8-T40 HydrophobicContact CE2-CG2 4.17Å; F8-T40 HydrophobicContact CG-CG2 3.71Å; F8-Y44 HydrophobicContact CD1-CD1 4.39Å; F8-Y44 HydrophobicContact CD1-CE1 4.05Å; F8-Y44 HydrophobicContact CE1-CD1 4.35Å; F8-Y44 HydrophobicContact CE1-CE1 4.12Å; F8-A45 HydrophobicContact CE2-CB 3.69Å; F8-A45 VanDerWaalsContact CZ-CA 3.47Å; F8-A45 HydrophobicContact CZ-CB 3.68Å; F8-A48 HydrophobicContact CE1-CB 3.65Å; F8-A48 HydrophobicContact CZ-CB 4.11Å
9E93.6Very high79.2Confident40 Ų4076 Ų7619%0.18743%0.43CS..Hα-helixtrans-65.1-46.1-179-65.885.8155.200110.7G5 G6 T7 L11 L12 D13 Y44G5-E9 VanDerWaalsContact C-CD 3.45Å; G5-E9 VanDerWaalsContact C-OE1 3.26Å; G5-E9 WeakPolarHBondContact CA-OE1 3.39Å; G5-E9 VanDerWaalsContact CA-OE2 3.28Å; G5-E9 WeakPolarHBondContact CA-OE2 3.44Å; G6-E9 WeakPolarHBondContact CA-OE2 3.49Å; G6-E9 PolarHBondContact N-OE2 3.21Å; T7-E9 PolarHBondContact O-N 3.2Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 2.8Å; E9-L12 PolarHBondContact O-N 3.43Å; E9-D13 WeakPolarHBondContact O-CB 3.3Å; E9-D13 PolarHBondContact O-N 2.9Å; E9-Y44 WeakPolarHBondContact OE1-CE1 3.34Å; E9-Y44 PolarHBondContact OE1-OH 2.89Å
10R94Very high79.6Confident148 Ų14874.4 Ų74.456%0.55842%0.42SS*.Hα-helixtrans-60.1-39.5174-177.4-172.466.991.65.7112.2G6 T7 K14G6-R10 WeakPolarHBondContact O-CB 3.27Å; G6-R10 PolarHBondContact O-N 2.94Å; T7-R10 PolarHBondContact O-N 2.9Å; R10-K14 WeakPolarHBondContact O-CB 3.33Å; R10-K14 PolarHBondContact O-N 2.92Å
11L94.4Very high79.7Confident3 Ų379.1 Ų79.12%0.01644%0.444CS..Hα-helixtrans-70.8-39.3176.3-70.1169.1000111.8T7 F8 E9 K14 A15 Q30 I31 L34T7-L11 HydrophobicContact CG2-CD1 4.17Å; T7-L11 VanDerWaalsContact O-CG 3.29Å; T7-L11 WeakPolarHBondContact O-CG 3.39Å; T7-L11 PolarHBondContact O-N 3.32Å; F8-L11 PolarHBondContact O-N 3.21Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 2.8Å; L11-K14 PolarHBondContact O-N 3.35Å; L11-A15 VanDerWaalsContact O-CB 3.23Å; L11-A15 WeakPolarHBondContact O-CB 3.19Å; L11-A15 PolarHBondContact O-N 3.29Å; L11-Q30 HydrophobicContact CD1-CB 3.7Å; L11-Q30 HydrophobicContact CD2-CB 4.38Å; L11-I31 HydrophobicContact CB-CD1 4.08Å; L11-I31 HydrophobicContact CB-CG1 3.78Å; L11-L34 HydrophobicContact CD1-CD1 3.77Å
12L95.6Very high81.7Confident7 Ų774.5 Ų74.54%0.03742%0.419CS..Hα-helixtrans-67.1-40.2176.4-178.664.7000111.2F8 E9 A15 T16 I31 A48 I49 K52 V67F8-L12 HydrophobicContact CE1-CD2 4.02Å; F8-L12 HydrophobicContact CZ-CD2 4Å; F8-L12 WeakPolarHBondContact O-CB 3.29Å; F8-L12 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 2.87Å; L12-T16 HydrophobicContact CD1-CG2 3.92Å; L12-T16 WeakPolarHBondContact O-CB 3.37Å; L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 3.23Å; L12-T16 PolarHBondContact O-OG1 2.67Å; L12-I31 HydrophobicContact CB-CD1 4.26Å; L12-I31 HydrophobicContact CD1-CD1 4.45Å; L12-A48 HydrophobicContact CD2-CB 3.75Å; L12-I49 HydrophobicContact CD1-CG1 3.84Å; L12-I49 HydrophobicContact CD2-CG1 4.28Å; L12-K52 HydrophobicContact CD2-CG 4.35Å; L12-K52 HydrophobicContact CG-CG 4.37Å; L12-V67 HydrophobicContact CD1-CG1 4.05Å; L12-V67 HydrophobicContact CD1-CG2 4.27Å
13D94.4Very high83.7Confident88 Ų8872.2 Ų72.247%0.47139%0.39SS..Hα-helixtrans-65.9-38.3173.7-77.2-27.6000112.1E9 S17 K52E9-D13 WeakPolarHBondContact O-CB 3.3Å; E9-D13 PolarHBondContact O-N 2.9Å; D13-S17 WeakPolarHBondContact O-CB 3.38Å; D13-S17 PolarHBondContact O-N 2.86Å; D13-K52 WeakPolarHBondContact OD1-CE 3.28Å; D13-K52 IonicContact OD1-NZ 2.77Å; D13-K52 PolarHBondContact OD1-NZ 2.97Å
14K93.7Very high86.1Confident85 Ų8562.8 Ų62.837%0.3735%0.35SS..Hα-helixtrans-63.5-53.1171.8-172.9179.5172.2-99.80110.7R10 L11 T16 S17 L20 D24 E26 S27R10-K14 WeakPolarHBondContact O-CB 3.33Å; R10-K14 PolarHBondContact O-N 2.92Å; L11-K14 PolarHBondContact O-N 3.35Å; K14-T16 VanDerWaalsContact C-N 3.3Å; K14-T16 PolarHBondContact O-N 2.88Å; K14-S17 VanDerWaalsContact O-CB 3.3Å; K14-S17 WeakPolarHBondContact O-CB 3.49Å; K14-S17 PolarHBondContact O-N 3.33Å; K14-L20 WeakPolarHBondContact O-CD1 3.41Å; K14-D24 VanDerWaalsContact CE-OD2 3.24Å; K14-D24 WeakPolarHBondContact CE-OD2 3.38Å; K14-D24 WeakPolarHBondContact CG-OD2 3.25Å; K14-D24 IonicContact NZ-OD1 3.5Å; K14-D24 PolarHBondContact NZ-OD1 3.42Å; K14-D24 IonicContact NZ-OD2 3.5Å; K14-D24 PolarHBondContact NZ-OD2 3.23Å; K14-E26 IonicContact NZ-OE2 3.29Å; K14-S27 WeakPolarHBondContact CD-OG 3.45Å; K14-S27 PolarHBondContact NZ-OG 3.17Å
15A94.3Very high88.5Confident1 Ų167.4 Ų67.41%0.00836%0.355CS..Hα-helixtrans-67.3-22.1-177.300000115L11 L12 L20 I28 I31 Y63 V67L11-A15 VanDerWaalsContact O-CB 3.23Å; L11-A15 WeakPolarHBondContact O-CB 3.19Å; L11-A15 PolarHBondContact O-N 3.29Å; L12-A15 PolarHBondContact O-N 2.87Å; A15-L20 WeakPolarHBondContact O-CD1 3.48Å; A15-I28 HydrophobicContact CB-CG1 4.07Å; A15-I31 HydrophobicContact CB-CD1 4.28Å; A15-Y63 WeakPolarHBondContact O-CB 3.48Å; A15-V67 HydrophobicContact CB-CG2 4.13Å
16T95.1Very high90.4Very high1 Ų170.1 Ų70.11%0.00635%0.35CS..THydrogen-bonded Turntrans-109.416176.862.40000112.7L12 K14 Q18 K52 V60 A64 V67L12-T16 HydrophobicContact CD1-CG2 3.92Å; L12-T16 WeakPolarHBondContact O-CB 3.37Å; L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 3.23Å; L12-T16 PolarHBondContact O-OG1 2.67Å; K14-T16 VanDerWaalsContact C-N 3.3Å; K14-T16 PolarHBondContact O-N 2.88Å; T16-Q18 PolarHBondContact O-N 2.98Å; T16-K52 HydrophobicContact CG2-CB 4.3Å; T16-K52 HydrophobicContact CG2-CG 4.26Å; T16-K52 WeakPolarHBondContact OG1-CD 3.39Å; T16-K52 VanDerWaalsContact OG1-CE 3.24Å; T16-K52 WeakPolarHBondContact OG1-CE 3.45Å; T16-K52 PolarHBondContact OG1-NZ 3.1Å; T16-K52 VanDerWaalsContact OG1-NZ 3.12Å; T16-V60 WeakPolarHBondContact O-CG2 3.42Å; T16-A64 HydrophobicContact CG2-CB 4.02Å; T16-V67 HydrophobicContact CG2-CG2 4.09Å
17S93.3Very high91.3Very high37 Ų3768 Ų6826%0.25933%0.329SS..  trans-67.8130.9-178.1178.50000111.8D13 K14 L19 L20D13-S17 WeakPolarHBondContact O-CB 3.38Å; D13-S17 PolarHBondContact O-N 2.86Å; K14-S17 VanDerWaalsContact O-CB 3.3Å; K14-S17 WeakPolarHBondContact O-CB 3.49Å; K14-S17 PolarHBondContact O-N 3.33Å; S17-L19 PolarHBondContact O-N 3.42Å; S17-L19 PolarHBondContact OG-N 2.89Å; S17-L20 WeakPolarHBondContact O-CB 3.35Å; S17-L20 PolarHBondContact O-N 3.49Å; S17-L20 VanDerWaalsContact O-N 3.08Å
18Q91Very high91.5Very high129 Ų12964.8 Ų64.860%0.60331%0.309SS*.THydrogen-bonded Turntrans-64.2-4.417367.8176.410.300114.6T16 N57 V60T16-Q18 PolarHBondContact O-N 2.98Å; Q18-N57 VanDerWaalsContact CB-ND2 3.3Å; Q18-N57 WeakPolarHBondContact CB-ND2 3.48Å; Q18-N57 PolarHBondContact OE1-ND2 3.45Å; Q18-V60 HydrophobicContact CB-CG2 3.91Å
19L89.8Confident91.4Very high139 Ų13969.1 Ų69.173%0.72833%0.331SS*.THydrogen-bonded Turntrans-94.1-2.7176.1-55.3178.9000112.7S17S17-L19 PolarHBondContact O-N 3.42Å; S17-L19 PolarHBondContact OG-N 2.89Å
20L86.9Confident91.4Very high44 Ų4470.4 Ų70.423%0.2334%0.337CS..  trans-75.1127174.9-73.8176.8000111.4K14 A15 S17 D24 Y63K14-L20 WeakPolarHBondContact O-CD1 3.41Å; A15-L20 WeakPolarHBondContact O-CD1 3.48Å; S17-L20 WeakPolarHBondContact O-CB 3.35Å; S17-L20 PolarHBondContact O-N 3.49Å; S17-L20 VanDerWaalsContact O-N 3.08Å; L20-D24 HydrophobicContact CD1-CB 4Å; L20-D24 HydrophobicContact CD2-CB 4.19Å; L20-Y63 HydrophobicContact CB-CD2 4.44Å; L20-Y63 HydrophobicContact CB-CE2 3.65Å; L20-Y63 HydrophobicContact CD1-CD2 4.36Å; L20-Y63 HydrophobicContact CD1-CE2 4.31Å; L20-Y63 PolarHBondContact O-OH 2.89Å
21L82.1Confident91.4Very high173 Ų17363.3 Ų63.391%0.90631%0.311SS*.SBendtrans-82.2-22.3168-69.182.3000112.1
22E83.4Confident91.3Very high156 Ų15663.3 Ų63.373%0.72931%0.311SS*.SBendtrans-146.8163.3-178.566.8-176.2162.600111.6D24 Y63E22-D24 PolarHBondContact O-N 3.33Å; E22-Y63 PolarHBondContact N-OH 3.3Å
23T88.9Confident91.1Very high28 Ų2865.4 Ų65.417%0.17232%0.322CS..  trans-65.7119.7-177.4-47.20000112W25 I28 E66T23-W25 VanDerWaalsContact C-N 3.32Å; T23-W25 HydrophobicContact CG2-CD2 4.15Å; T23-W25 HydrophobicContact CG2-CH2 4.39Å; T23-W25 HydrophobicContact CG2-CZ2 3.9Å; T23-W25 PolarHBondContact O-N 2.89Å; T23-I28 HydrophobicContact CG2-CD1 3.54Å; T23-E66 HydrophobicContact CG2-CB 4.36Å; T23-E66 VanDerWaalsContact CG2-OE2 3.23Å; T23-E66 WeakPolarHBondContact CG2-OE2 3.45Å; T23-E66 PolarHBondContact OG1-OE2 3.27Å
24D89.8Confident90.9Very high21 Ų2162.6 Ų62.611%0.11231%0.307CS..  trans-76.778.9178.2-173.1-22.3000111.8K14 L20 E22 E26 S27 I28K14-D24 VanDerWaalsContact CE-OD2 3.24Å; K14-D24 WeakPolarHBondContact CE-OD2 3.38Å; K14-D24 WeakPolarHBondContact CG-OD2 3.25Å; K14-D24 IonicContact NZ-OD1 3.5Å; K14-D24 PolarHBondContact NZ-OD1 3.42Å; K14-D24 IonicContact NZ-OD2 3.5Å; K14-D24 PolarHBondContact NZ-OD2 3.23Å; L20-D24 HydrophobicContact CD1-CB 4Å; L20-D24 HydrophobicContact CD2-CB 4.19Å; E22-D24 PolarHBondContact O-N 3.33Å; D24-E26 PolarHBondContact O-N 2.85Å; D24-E26 PolarHBondContact OD1-N 2.91Å; D24-S27 PolarHBondContact O-N 2.86Å; D24-S27 WeakPolarHBondContact OD1-CB 3.43Å; D24-S27 PolarHBondContact OD1-N 3.29Å; D24-S27 PolarHBondContact OD1-OG 2.89Å; D24-S27 PolarHBondContact OD2-OG 2.87Å; D24-I28 VanDerWaalsContact O-CG1 3.31Å; D24-I28 WeakPolarHBondContact O-CG1 3.4Å; D24-I28 PolarHBondContact O-N 3.3Å
25W91.8Very high90.9Very high138 Ų13859 Ų5952%0.52329%0.292SS..Hα-helixtrans-59.9-30.9178.9-67.7105.7000113.6T23 I28 L29T23-W25 VanDerWaalsContact C-N 3.32Å; T23-W25 HydrophobicContact CG2-CD2 4.15Å; T23-W25 HydrophobicContact CG2-CH2 4.39Å; T23-W25 HydrophobicContact CG2-CZ2 3.9Å; T23-W25 PolarHBondContact O-N 2.89Å; W25-I28 HydrophobicContact CE3-CG2 4.42Å; W25-I28 PolarHBondContact O-N 3.24Å; W25-L29 WeakPolarHBondContact O-CB 3.43Å; W25-L29 VanDerWaalsContact O-CG 3.23Å; W25-L29 WeakPolarHBondContact O-CG 3.43Å; W25-L29 PolarHBondContact O-N 3.36Å
26E89.9Confident90.6Very high121 Ų12166.4 Ų66.457%0.56532%0.319SS*.Hα-helixtrans-62.4-50.5177.9-165.1-150.8167.400110.6K14 D24 L29 Q30K14-E26 IonicContact NZ-OE2 3.29Å; D24-E26 PolarHBondContact O-N 2.85Å; D24-E26 PolarHBondContact OD1-N 2.91Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-Q30 WeakPolarHBondContact O-CG 3.45Å; E26-Q30 PolarHBondContact O-N 2.93Å; E26-Q30 PolarHBondContact OE1-NE2 2.87Å; E26-Q30 VanDerWaalsContact OE1-NE2 3.09Å
27S93.6Very high90.3Very high0 Ų073 Ų730%035%0.35CS..Hα-helixtrans-68.8-35.7178.1-53.10000112.3K14 D24 Q30 I31K14-S27 WeakPolarHBondContact CD-OG 3.45Å; K14-S27 PolarHBondContact NZ-OG 3.17Å; D24-S27 PolarHBondContact O-N 2.86Å; D24-S27 WeakPolarHBondContact OD1-CB 3.43Å; D24-S27 PolarHBondContact OD1-N 3.29Å; D24-S27 PolarHBondContact OD1-OG 2.89Å; D24-S27 PolarHBondContact OD2-OG 2.87Å; S27-Q30 PolarHBondContact O-N 3.22Å; S27-I31 WeakPolarHBondContact O-CB 3.3Å; S27-I31 WeakPolarHBondContact O-CD1 3.2Å; S27-I31 VanDerWaalsContact O-CG1 3.24Å; S27-I31 WeakPolarHBondContact O-CG1 3.33Å; S27-I31 PolarHBondContact O-N 2.99Å
28I93.6Very high89.9Confident1 Ų173 Ų731%0.00536%0.356CS..Hα-helixtrans-64.8-41.6176.9-72.5172000111.6A15 T23 D24 W25 I31 C32 V67 S70A15-I28 HydrophobicContact CB-CG1 4.07Å; T23-I28 HydrophobicContact CG2-CD1 3.54Å; D24-I28 VanDerWaalsContact O-CG1 3.31Å; D24-I28 WeakPolarHBondContact O-CG1 3.4Å; D24-I28 PolarHBondContact O-N 3.3Å; W25-I28 HydrophobicContact CE3-CG2 4.42Å; W25-I28 PolarHBondContact O-N 3.24Å; I28-I31 WeakPolarHBondContact O-CB 3.48Å; I28-I31 PolarHBondContact O-N 3.36Å; I28-C32 PolarHBondContact O-N 3.29Å; I28-C32 PolarHBondContact O-SG 3.45Å; I28-V67 HydrophobicContact CD1-CG2 4.19Å; I28-V67 HydrophobicContact CG1-CG2 3.92Å; I28-S70 WeakPolarHBondContact CG2-OG 3.34Å
29L91.4Very high89.8Confident91 Ų9171.8 Ų71.848%0.47635%0.354SS..Hα-helixtrans-67.7-43.3175.9-70.8170.3000111.1W25 E26 I31 C32 D33W25-L29 WeakPolarHBondContact O-CB 3.43Å; W25-L29 VanDerWaalsContact O-CG 3.23Å; W25-L29 WeakPolarHBondContact O-CG 3.43Å; W25-L29 PolarHBondContact O-N 3.36Å; E26-L29 PolarHBondContact O-N 3.4Å; L29-I31 VanDerWaalsContact C-N 3.29Å; L29-I31 PolarHBondContact O-N 3.03Å; L29-C32 WeakPolarHBondContact O-CB 3.4Å; L29-C32 PolarHBondContact O-N 3.15Å; L29-C32 VanDerWaalsContact O-N 3.08Å; L29-D33 PolarHBondContact O-N 2.88Å
30Q92.1Very high89.9Confident67 Ų6765.7 Ų65.731%0.31332%0.322SS..Hα-helixtrans-60.6-36.1173.3-70.2175.634.600112.6L11 E26 S27 D33 L34L11-Q30 HydrophobicContact CD1-CB 3.7Å; L11-Q30 HydrophobicContact CD2-CB 4.38Å; E26-Q30 WeakPolarHBondContact O-CG 3.45Å; E26-Q30 PolarHBondContact O-N 2.93Å; E26-Q30 PolarHBondContact OE1-NE2 2.87Å; E26-Q30 VanDerWaalsContact OE1-NE2 3.09Å; S27-Q30 PolarHBondContact O-N 3.22Å; Q30-D33 PolarHBondContact O-N 3.47Å; Q30-L34 WeakPolarHBondContact O-CG 3.48Å; Q30-L34 PolarHBondContact O-N 3.33Å
31I94Very high90.1Very high0 Ų070.1 Ų70.10%034%0.342CS..Hα-helixtrans-62.2-45.4171.7-76.1162.6000111.2F8 L11 L12 A15 S27 I28 L29 D33 L34 I35 V67 V71F8-I31 HydrophobicContact CD2-CG1 4.28Å; F8-I31 HydrophobicContact CD2-CG2 4.15Å; F8-I31 HydrophobicContact CE2-CG1 4.44Å; F8-I31 HydrophobicContact CE2-CG2 3.78Å; L11-I31 HydrophobicContact CB-CD1 4.08Å; L11-I31 HydrophobicContact CB-CG1 3.78Å; L12-I31 HydrophobicContact CB-CD1 4.26Å; L12-I31 HydrophobicContact CD1-CD1 4.45Å; A15-I31 HydrophobicContact CB-CD1 4.28Å; S27-I31 WeakPolarHBondContact O-CB 3.3Å; S27-I31 WeakPolarHBondContact O-CD1 3.2Å; S27-I31 VanDerWaalsContact O-CG1 3.24Å; S27-I31 WeakPolarHBondContact O-CG1 3.33Å; S27-I31 PolarHBondContact O-N 2.99Å; I28-I31 WeakPolarHBondContact O-CB 3.48Å; I28-I31 PolarHBondContact O-N 3.36Å; L29-I31 VanDerWaalsContact C-N 3.29Å; L29-I31 PolarHBondContact O-N 3.03Å; I31-D33 VanDerWaalsContact C-N 3.29Å; I31-D33 PolarHBondContact O-N 3.33Å; I31-L34 PolarHBondContact O-N 3.19Å; I31-I35 HydrophobicContact CG2-CD1 4.06Å; I31-I35 WeakPolarHBondContact O-CD1 3.39Å; I31-I35 WeakPolarHBondContact O-CG1 3.49Å; I31-I35 PolarHBondContact O-N 2.93Å; I31-V67 HydrophobicContact CD1-CG1 4.17Å; I31-V67 HydrophobicContact CG2-CG1 4.2Å; I31-V71 HydrophobicContact CG2-CG1 3.79Å
32C93Very high90.6Very high2 Ų262.6 Ų62.61%0.01430%0.304CS..Hα-helixtrans-61.3-40.7175.8-63.30000110.8I28 L29 I35 R36 N74I28-C32 PolarHBondContact O-N 3.29Å; I28-C32 PolarHBondContact O-SG 3.45Å; L29-C32 WeakPolarHBondContact O-CB 3.4Å; L29-C32 PolarHBondContact O-N 3.15Å; L29-C32 VanDerWaalsContact O-N 3.08Å; C32-I35 PolarHBondContact O-N 3.11Å; C32-R36 VanDerWaalsContact O-CG 3.31Å; C32-R36 WeakPolarHBondContact O-CG 3.46Å; C32-R36 PolarHBondContact O-N 3.02Å; C32-N74 HydrophobicContact CB-CB 4.24Å
33D90.3Very high91.1Very high51 Ų5161.3 Ų61.327%0.27330%0.296SS..Hα-helixtrans-65-43.5-179.9-71.8-15.9000113.1L29 Q30 I31 I35 R36 Q37L29-D33 PolarHBondContact O-N 2.88Å; Q30-D33 PolarHBondContact O-N 3.47Å; I31-D33 VanDerWaalsContact C-N 3.29Å; I31-D33 PolarHBondContact O-N 3.33Å; D33-I35 PolarHBondContact O-N 3.42Å; D33-R36 PolarHBondContact O-N 3.4Å; D33-R36 IonicContact OD1-CZ 2.72Å; D33-R36 IonicContact OD1-NE 3.42Å; D33-R36 PolarHBondContact OD1-NE 3.43Å; D33-R36 IonicContact OD1-NH2 3.93Å; D33-R36 PolarHBondContact OD1-NH2 2.95Å; D33-Q37 WeakPolarHBondContact O-CB 3.47Å; D33-Q37 VanDerWaalsContact O-CG 3.32Å; D33-Q37 WeakPolarHBondContact O-CG 3.41Å; D33-Q37 PolarHBondContact O-N 3.45Å; D33-Q37 PolarHBondContact O-NE2 2.87Å
34L91.4Very high91.4Very high29 Ų2965.3 Ų65.315%0.15231%0.309CS..Hα-helixtrans-62.7-29.1174.7-70.4170.1000113T7 F8 L11 Q30 I31 G38 D39 T40T7-L34 HydrophobicContact CG2-CD1 4.03Å; F8-L34 HydrophobicContact CB-CD1 4.13Å; L11-L34 HydrophobicContact CD1-CD1 3.77Å; Q30-L34 WeakPolarHBondContact O-CG 3.48Å; Q30-L34 PolarHBondContact O-N 3.33Å; I31-L34 PolarHBondContact O-N 3.19Å; L34-G38 PolarHBondContact O-N 3.28Å; L34-D39 HydrophobicContact CB-CB 4.48Å; L34-D39 HydrophobicContact CD2-CB 3.9Å; L34-D39 PolarHBondContact O-N 3.2Å; L34-D39 VanDerWaalsContact O-N 3.15Å; L34-T40 PolarHBondContact O-N 3.16Å
35I92.5Very high91.6Very high10 Ų1064.3 Ų64.35%0.05130%0.304CS..Hα-helixtrans-78.7-41.7174.8-63163.5000110.4I31 C32 D33 G38 A45 V71 C75 I79I31-I35 HydrophobicContact CG2-CD1 4.06Å; I31-I35 WeakPolarHBondContact O-CD1 3.39Å; I31-I35 WeakPolarHBondContact O-CG1 3.49Å; I31-I35 PolarHBondContact O-N 2.93Å; C32-I35 PolarHBondContact O-N 3.11Å; D33-I35 PolarHBondContact O-N 3.42Å; I35-G38 PolarHBondContact O-N 2.99Å; I35-A45 HydrophobicContact CD1-CB 3.7Å; I35-A45 HydrophobicContact CG1-CB 4.04Å; I35-V71 HydrophobicContact CD1-CB 4.17Å; I35-V71 HydrophobicContact CD1-CG1 3.62Å; I35-C75 HydrophobicContact CG2-CB 3.83Å; I35-I79 HydrophobicContact CD1-CD1 4.32Å; I35-I79 HydrophobicContact CG2-CD1 4.15Å; I35-I79 HydrophobicContact CG2-CG1 3.91Å
36R88.2Confident91.7Very high156 Ų15657.8 Ų57.859%0.58928%0.279SS*.Hα-helixtrans-66.7-34.7177.7-70.1-168.1-55.9161.50.4113.2C32 D33 G38 N74C32-R36 VanDerWaalsContact O-CG 3.31Å; C32-R36 WeakPolarHBondContact O-CG 3.46Å; C32-R36 PolarHBondContact O-N 3.02Å; D33-R36 PolarHBondContact O-N 3.4Å; D33-R36 IonicContact OD1-CZ 2.72Å; D33-R36 IonicContact OD1-NE 3.42Å; D33-R36 PolarHBondContact OD1-NE 3.43Å; D33-R36 IonicContact OD1-NH2 3.93Å; D33-R36 PolarHBondContact OD1-NH2 2.95Å; R36-G38 VanDerWaalsContact C-N 3.33Å; R36-N74 WeakPolarHBondContact CD-O 3.17Å
37Q88.3Confident91.9Very high141 Ų14154.3 Ų54.366%0.65927%0.271SS*.SBendtrans-80-15177-69.1174.966.600112.8D33D33-Q37 WeakPolarHBondContact O-CB 3.47Å; D33-Q37 VanDerWaalsContact O-CG 3.32Å; D33-Q37 WeakPolarHBondContact O-CG 3.41Å; D33-Q37 PolarHBondContact O-N 3.45Å; D33-Q37 PolarHBondContact O-NE2 2.87Å
38G86.2Confident92Very high37 Ų3754.9 Ų54.938%0.38128%0.275SS..SBendtrans90.1-5.3177.500000115.2L34 I35 R36 T40 Q41L34-G38 PolarHBondContact O-N 3.28Å; I35-G38 PolarHBondContact O-N 2.99Å; R36-G38 VanDerWaalsContact C-N 3.33Å; G38-T40 PolarHBondContact O-N 3.38Å; G38-Q41 PolarHBondContact O-NE2 2.95Å
39D88Confident92.1Very high103 Ų10354.8 Ų54.855%0.55128%0.275SS*.SBendtrans-55-36174.6-65.4-53.1000112.2L34L34-D39 HydrophobicContact CB-CB 4.48Å; L34-D39 HydrophobicContact CD2-CB 3.9Å; L34-D39 PolarHBondContact O-N 3.2Å; L34-D39 VanDerWaalsContact O-N 3.15Å
40T91.6Very high92.2Very high10 Ų1052.1 Ų52.16%0.06126%0.26CS..SBendtrans-115.6118.9174.2-53.40000111F8 L34 G38 A42 Y44 A45F8-T40 HydrophobicContact CB-CG2 4.17Å; F8-T40 WeakPolarHBondContact CB-OG1 3.35Å; F8-T40 HydrophobicContact CD1-CG2 4.1Å; F8-T40 HydrophobicContact CD2-CG2 3.74Å; F8-T40 HydrophobicContact CE2-CG2 4.17Å; F8-T40 HydrophobicContact CG-CG2 3.71Å; L34-T40 PolarHBondContact O-N 3.16Å; G38-T40 PolarHBondContact O-N 3.38Å; T40-A42 PolarHBondContact O-N 2.65Å; T40-Y44 HydrophobicContact CG2-CD1 4.21Å; T40-A45 HydrophobicContact CG2-CB 3.94Å
41Q93Very high92.2Very high138 Ų13856.3 Ų56.365%0.64528%0.277SS*.  trans-66.5128.9177.2-65.8-64.8-60.500111.2G38 K43 Y44 A45G38-Q41 PolarHBondContact O-NE2 2.95Å; Q41-K43 VanDerWaalsContact C-N 3.29Å; Q41-K43 PolarHBondContact O-N 3.37Å; Q41-K43 VanDerWaalsContact O-N 3.17Å; Q41-Y44 WeakPolarHBondContact O-CA 3.48Å; Q41-Y44 WeakPolarHBondContact O-CB 3.47Å; Q41-Y44 PolarHBondContact O-N 2.97Å; Q41-A45 PolarHBondContact O-N 3.49Å
42A92.7Very high92.2Very high14 Ų1458.2 Ų58.212%0.11629%0.285CS..Hα-helixtrans-49.9-45.1-175.700000113.7T40 Y44 A45 I46 T78 I79T40-A42 PolarHBondContact O-N 2.65Å; A42-Y44 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 3.2Å; A42-A45 PolarHBondContact O-N 2.94Å; A42-I46 WeakPolarHBondContact O-CG1 3.21Å; A42-I46 PolarHBondContact O-N 3.38Å; A42-T78 VanDerWaalsContact CB-O 3.31Å; A42-T78 WeakPolarHBondContact CB-O 3.18Å; A42-I79 HydrophobicContact CB-CD1 3.64Å; A42-I79 HydrophobicContact CB-CG1 4Å
43K93Very high92.2Very high130 Ų13058.4 Ų58.457%0.56529%0.286SS*.Hα-helixtrans-58.5-40.2175.2-175.4173-15094.70113.5Q41 A47 E82Q41-K43 VanDerWaalsContact C-N 3.29Å; Q41-K43 PolarHBondContact O-N 3.37Å; Q41-K43 VanDerWaalsContact O-N 3.17Å; K43-A47 VanDerWaalsContact O-CB 3.25Å; K43-A47 WeakPolarHBondContact O-CB 3.33Å; K43-A47 PolarHBondContact O-N 2.86Å; K43-E82 HydrophobicContact CB-CG 4.2Å; K43-E82 WeakPolarHBondContact CB-OE1 3.33Å; K43-E82 WeakPolarHBondContact CD-OE1 3.45Å; K43-E82 WeakPolarHBondContact CG-OE1 3.01Å; K43-E82 IonicContact NZ-OE1 3.33Å; K43-E82 PolarHBondContact NZ-OE1 3.45Å; K43-E82 IonicContact NZ-OE2 2.68Å; K43-E82 PolarHBondContact NZ-OE2 3.47Å
44Y94.4Very high92.2Very high111 Ų11160.9 Ų60.944%0.43530%0.299SS..Hα-helixtrans-69.6-45.4176.7-178.2-90000110.9F8 E9 T40 Q41 A42 I46 A47 A48F8-Y44 HydrophobicContact CD1-CD1 4.39Å; F8-Y44 HydrophobicContact CD1-CE1 4.05Å; F8-Y44 HydrophobicContact CE1-CD1 4.35Å; F8-Y44 HydrophobicContact CE1-CE1 4.12Å; E9-Y44 WeakPolarHBondContact OE1-CE1 3.34Å; E9-Y44 PolarHBondContact OE1-OH 2.89Å; T40-Y44 HydrophobicContact CG2-CD1 4.21Å; Q41-Y44 WeakPolarHBondContact O-CA 3.48Å; Q41-Y44 WeakPolarHBondContact O-CB 3.47Å; Q41-Y44 PolarHBondContact O-N 2.97Å; A42-Y44 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 3.2Å; Y44-I46 PolarHBondContact O-N 3.03Å; Y44-A47 PolarHBondContact O-N 3.39Å; Y44-A48 PolarHBondContact O-N 2.9Å
45A94.8Very high92.2Very high0 Ų062.7 Ų62.70%031%0.309CS..Hα-helixtrans-58.4-48.6178.100000112.1F8 I35 T40 Q41 A42 A48 I49F8-A45 HydrophobicContact CE2-CB 3.69Å; F8-A45 VanDerWaalsContact CZ-CA 3.47Å; F8-A45 HydrophobicContact CZ-CB 3.68Å; I35-A45 HydrophobicContact CD1-CB 3.7Å; I35-A45 HydrophobicContact CG1-CB 4.04Å; T40-A45 HydrophobicContact CG2-CB 3.94Å; Q41-A45 PolarHBondContact O-N 3.49Å; A42-A45 PolarHBondContact O-N 2.94Å; A45-A48 PolarHBondContact O-N 3.25Å; A45-I49 VanDerWaalsContact O-CG1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 2.95Å
46I94.7Very high92.1Very high2 Ų272.2 Ų72.21%0.0135%0.35CS..Hα-helixtrans-64.6-40.5176.9-67-59.7000111.6A42 Y44 A48 I49 K50 L68 V71 I79 E82 V83A42-I46 WeakPolarHBondContact O-CG1 3.21Å; A42-I46 PolarHBondContact O-N 3.38Å; Y44-I46 PolarHBondContact O-N 3.03Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 3.41Å; I46-I49 HydrophobicContact CD1-CD1 4.41Å; I46-I49 PolarHBondContact O-N 2.9Å; I46-K50 HydrophobicContact CG2-CD 4.05Å; I46-K50 HydrophobicContact CG2-CG 4.29Å; I46-K50 VanDerWaalsContact O-CB 3.31Å; I46-K50 WeakPolarHBondContact O-CB 3.24Å; I46-K50 VanDerWaalsContact O-CG 3.24Å; I46-K50 WeakPolarHBondContact O-CG 3.49Å; I46-K50 PolarHBondContact O-N 3.42Å; I46-L68 HydrophobicContact CD1-CD1 3.59Å; I46-V71 HydrophobicContact CD1-CG2 4.05Å; I46-I79 HydrophobicContact CD1-CD1 3.89Å; I46-I79 HydrophobicContact CD1-CG2 4.17Å; I46-I79 HydrophobicContact CG1-CD1 3.61Å; I46-E82 HydrophobicContact CB-CB 4.37Å; I46-E82 HydrophobicContact CG1-CB 4.23Å; I46-E82 HydrophobicContact CG2-CB 4.33Å; I46-V83 HydrophobicContact CD1-CG2 3.53Å; I46-V83 HydrophobicContact CG1-CG2 4.04Å; I46-V83 HydrophobicContact CG2-CG2 4.42Å
47A94.1Very high92.2Very high48 Ų4866.4 Ų66.440%0.39733%0.331SS..Hα-helixtrans-64.2-30.3175.100000113.3K43 Y44 K51K43-A47 VanDerWaalsContact O-CB 3.25Å; K43-A47 WeakPolarHBondContact O-CB 3.33Å; K43-A47 PolarHBondContact O-N 2.86Å; Y44-A47 PolarHBondContact O-N 3.39Å; A47-K51 WeakPolarHBondContact O-CG 3.41Å
48A94.9Very high92.3Very high11 Ų1161.6 Ų61.69%0.09131%0.312CS..Hα-helixtrans-76-47174.100000112F8 L12 Y44 A45 I46 K50 K51F8-A48 HydrophobicContact CE1-CB 3.65Å; F8-A48 HydrophobicContact CZ-CB 4.11Å; L12-A48 HydrophobicContact CD2-CB 3.75Å; Y44-A48 PolarHBondContact O-N 2.9Å; A45-A48 PolarHBondContact O-N 3.25Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 3.41Å; A48-K50 VanDerWaalsContact C-N 3.31Å; A48-K50 PolarHBondContact O-N 3.33Å; A48-K51 WeakPolarHBondContact O-CB 3.48Å; A48-K51 PolarHBondContact O-N 3.44Å; A48-K51 VanDerWaalsContact O-N 3.08Å
49I95.2Very high92.5Very high0 Ų065 Ų650%032%0.318CS..Hα-helixtrans-58.3-43.6175.9-67.8161.5000110.3L12 A45 I46 K51 K52 L53 V67 L68 V71L12-I49 HydrophobicContact CD1-CG1 3.84Å; L12-I49 HydrophobicContact CD2-CG1 4.28Å; A45-I49 VanDerWaalsContact O-CG1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 2.95Å; I46-I49 HydrophobicContact CD1-CD1 4.41Å; I46-I49 PolarHBondContact O-N 2.9Å; I49-K51 PolarHBondContact O-N 3.26Å; I49-K51 VanDerWaalsContact O-N 3.16Å; I49-K52 WeakPolarHBondContact O-CA 3.4Å; I49-K52 WeakPolarHBondContact O-CB 3.37Å; I49-K52 PolarHBondContact O-N 3.23Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 WeakPolarHBondContact O-CG 3.34Å; I49-L53 PolarHBondContact O-N 3.02Å; I49-V67 HydrophobicContact CD1-CG1 3.81Å; I49-V67 HydrophobicContact CG1-CG1 4.06Å; I49-L68 HydrophobicContact CG2-CB 3.98Å; I49-L68 HydrophobicContact CG2-CD1 4.31Å; I49-V71 HydrophobicContact CD1-CG1 4.42Å; I49-V71 HydrophobicContact CD1-CG2 4.05Å
50K93Very high92.8Very high34 Ų3460.5 Ų60.515%0.14829%0.294CS..Hα-helixtrans-57.2-28.4175.7-78.9179.2176-164.70114.5I46 A48 L53 N54 T88 E91I46-K50 HydrophobicContact CG2-CD 4.05Å; I46-K50 HydrophobicContact CG2-CG 4.29Å; I46-K50 VanDerWaalsContact O-CB 3.31Å; I46-K50 WeakPolarHBondContact O-CB 3.24Å; I46-K50 VanDerWaalsContact O-CG 3.24Å; I46-K50 WeakPolarHBondContact O-CG 3.49Å; I46-K50 PolarHBondContact O-N 3.42Å; A48-K50 VanDerWaalsContact C-N 3.31Å; A48-K50 PolarHBondContact O-N 3.33Å; K50-L53 HydrophobicContact CG-CD1 4.25Å; K50-N54 PolarHBondContact O-ND2 3Å; K50-T88 WeakPolarHBondContact CE-OG1 3.38Å; K50-T88 PolarHBondContact NZ-OG1 3.33Å; K50-E91 WeakPolarHBondContact CD-OE2 3.36Å; K50-E91 WeakPolarHBondContact CE-OE2 3.17Å; K50-E91 IonicContact NZ-OE1 2.76Å; K50-E91 IonicContact NZ-OE2 3.2Å; K50-E91 PolarHBondContact NZ-OE2 2.93Å
51K93.8Very high92.9Very high155 Ų15560 Ų6067%0.67429%0.291SS*.Hα-helixtrans-68.5-41.9173.1-66.8168.9-175.8176.10111.1A47 A48 I49 N54A47-K51 WeakPolarHBondContact O-CG 3.41Å; A48-K51 WeakPolarHBondContact O-CB 3.48Å; A48-K51 PolarHBondContact O-N 3.44Å; A48-K51 VanDerWaalsContact O-N 3.08Å; I49-K51 PolarHBondContact O-N 3.26Å; I49-K51 VanDerWaalsContact O-N 3.16Å; K51-N54 PolarHBondContact O-N 3.42Å
52K93.6Very high92.9Very high40 Ų4055.3 Ų55.317%0.17427%0.27CS..Hα-helixtrans-69-33177.5-61.4-70.5-169.81550113L12 D13 T16 I49 N54 D55 V60 A64L12-K52 HydrophobicContact CD2-CG 4.35Å; L12-K52 HydrophobicContact CG-CG 4.37Å; D13-K52 WeakPolarHBondContact OD1-CE 3.28Å; D13-K52 IonicContact OD1-NZ 2.77Å; D13-K52 PolarHBondContact OD1-NZ 2.97Å; T16-K52 HydrophobicContact CG2-CB 4.3Å; T16-K52 HydrophobicContact CG2-CG 4.26Å; T16-K52 WeakPolarHBondContact OG1-CD 3.39Å; T16-K52 VanDerWaalsContact OG1-CE 3.24Å; T16-K52 WeakPolarHBondContact OG1-CE 3.45Å; T16-K52 PolarHBondContact OG1-NZ 3.1Å; T16-K52 VanDerWaalsContact OG1-NZ 3.12Å; I49-K52 WeakPolarHBondContact O-CA 3.4Å; I49-K52 WeakPolarHBondContact O-CB 3.37Å; I49-K52 PolarHBondContact O-N 3.23Å; K52-N54 PolarHBondContact O-N 3.01Å; K52-D55 WeakPolarHBondContact O-CB 3.11Å; K52-D55 PolarHBondContact O-N 3.33Å; K52-V60 HydrophobicContact CB-CG1 4.48Å; K52-V60 HydrophobicContact CD-CG1 4.08Å; K52-A64 HydrophobicContact CB-CB 3.52Å
53L92.4Very high93Very high6 Ų655.5 Ų55.53%0.03127%0.268CS..Hα-helixtrans-59.2-28.8171.4-63.8178.5000113.4I49 K50 A64 L65 L68 L95I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 WeakPolarHBondContact O-CG 3.34Å; I49-L53 PolarHBondContact O-N 3.02Å; K50-L53 HydrophobicContact CG-CD1 4.25Å; L53-A64 HydrophobicContact CD2-CB 3.78Å; L53-A64 HydrophobicContact CG-CB 4.34Å; L53-L65 HydrophobicContact CD2-CB 4.37Å; L53-L65 HydrophobicContact CD2-CD2 3.5Å; L53-L65 VanDerWaalsContact CD2-CD2 3.5Å; L53-L65 HydrophobicContact CD2-CG 3.6Å; L53-L68 HydrophobicContact CD1-CD2 3.98Å; L53-L95 HydrophobicContact CB-CD2 4.03Å; L53-L95 WeakPolarHBondContact O-CD1 3.36Å
54N90.3Very high93.2Very high103 Ų10349.3 Ų49.355%0.55124%0.241SC*.THydrogen-bonded Turntrans-100.918.1-179.1-70.7-87.9000112.5K50 K51 K52K50-N54 PolarHBondContact O-ND2 3Å; K51-N54 PolarHBondContact O-N 3.42Å; K52-N54 PolarHBondContact O-N 3.01Å
55D92.3Very high93.2Very high68 Ų6844 Ų4436%0.36422%0.22SC..  trans-67156.3171.6-157.4-69.6000111K52 N57 V60K52-D55 WeakPolarHBondContact O-CB 3.11Å; K52-D55 PolarHBondContact O-N 3.33Å; D55-N57 VanDerWaalsContact C-N 3.34Å; D55-N57 PolarHBondContact OD1-N 2.9Å; D55-V60 HydrophobicContact CB-CB 4Å; D55-V60 HydrophobicContact CB-CG1 3.66Å
56K89.2Confident93.2Very high210 Ų21045.4 Ų45.491%0.91323%0.226SC*.SBendtrans-75.8-24.6176.1-63.2-177.4-178.9-179.20112.1
57N90.8Very high93.3Very high34 Ų3445.3 Ų45.318%0.18223%0.226CC..SBendtrans-85.3118.4178.1-175-28000110Q18 D55 H59 V60 A61Q18-N57 VanDerWaalsContact CB-ND2 3.3Å; Q18-N57 WeakPolarHBondContact CB-ND2 3.48Å; Q18-N57 PolarHBondContact OE1-ND2 3.45Å; D55-N57 VanDerWaalsContact C-N 3.34Å; D55-N57 PolarHBondContact OD1-N 2.9Å; N57-H59 VanDerWaalsContact C-N 3.25Å; N57-H59 PolarHBondContact O-N 2.88Å; N57-H59 WeakPolarHBondContact OD1-CB 3.39Å; N57-H59 PolarHBondContact OD1-N 3.5Å; N57-V60 HydrophobicContact CB-CB 4.19Å; N57-V60 HydrophobicContact CB-CG2 3.75Å; N57-V60 WeakPolarHBondContact O-CB 3.13Å; N57-V60 PolarHBondContact O-N 3.33Å; N57-V60 VanDerWaalsContact O-N 3.13Å; N57-A61 PolarHBondContact O-N 3.02Å; N57-A61 VanDerWaalsContact O-N 3.11Å
58P90.3Very high93.3Very high39 Ų3943.2 Ų43.225%0.25321%0.208SC..Hα-helixtrans-66.8-23.5-176.827.7-35.5000113.6L62 E101 V104P58-L62 VanDerWaalsContact O-CB 3.27Å; P58-L62 WeakPolarHBondContact O-CB 3.4Å; P58-L62 PolarHBondContact O-N 3.36Å; P58-E101 HydrophobicContact CB-CB 4.04Å; P58-E101 HydrophobicContact CB-CG 3.54Å; P58-E101 HydrophobicContact CG-CG 3.79Å; P58-V104 HydrophobicContact CB-CG2 4.04Å
59H90.2Very high93.3Very high110 Ų11043.6 Ų43.651%0.50921%0.208SC..Hα-helixtrans-69.3-40.7173-65-90.5000111.3N57 A61 L62 Y63N57-H59 VanDerWaalsContact C-N 3.25Å; N57-H59 PolarHBondContact O-N 2.88Å; N57-H59 WeakPolarHBondContact OD1-CB 3.39Å; N57-H59 PolarHBondContact OD1-N 3.5Å; H59-A61 VanDerWaalsContact C-N 3.35Å; H59-L62 PolarHBondContact O-N 3.46Å; H59-Y63 HydrophobicContact CB-CE2 4.42Å; H59-Y63 WeakPolarHBondContact O-CD2 3.45Å; H59-Y63 PolarHBondContact O-N 2.96Å
60V94.4Very high93.1Very high8 Ų844 Ų445%0.04821%0.21CC..Hα-helixtrans-63-44.1175.1178.70000110.1T16 Q18 K52 D55 N57 A64T16-V60 WeakPolarHBondContact O-CG2 3.42Å; Q18-V60 HydrophobicContact CB-CG2 3.91Å; K52-V60 HydrophobicContact CB-CG1 4.48Å; K52-V60 HydrophobicContact CD-CG1 4.08Å; D55-V60 HydrophobicContact CB-CB 4Å; D55-V60 HydrophobicContact CB-CG1 3.66Å; N57-V60 HydrophobicContact CB-CB 4.19Å; N57-V60 HydrophobicContact CB-CG2 3.75Å; N57-V60 WeakPolarHBondContact O-CB 3.13Å; N57-V60 PolarHBondContact O-N 3.33Å; N57-V60 VanDerWaalsContact O-N 3.13Å; V60-A64 VanDerWaalsContact O-CB 3.23Å; V60-A64 WeakPolarHBondContact O-CB 3.38Å; V60-A64 PolarHBondContact O-N 2.84Å
61A93.8Very high93.2Very high0 Ų042.3 Ų42.30%020%0.203CC..Hα-helixtrans-64.7-39.1175.200000112.6N57 H59 A64 L65 V104N57-A61 PolarHBondContact O-N 3.02Å; N57-A61 VanDerWaalsContact O-N 3.11Å; H59-A61 VanDerWaalsContact C-N 3.35Å; A61-A64 PolarHBondContact O-N 3.12Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 2.91Å; A61-L65 VanDerWaalsContact O-N 3.08Å; A61-V104 HydrophobicContact CB-CG1 4.48Å
62L93.7Very high93.1Very high38 Ų3835 Ų3520%0.19917%0.171CC..Hα-helixtrans-64.8-53.7176.8-176.262.5000111.3P58 H59 A64 L65 E66 N103 V104 K107P58-L62 VanDerWaalsContact O-CB 3.27Å; P58-L62 WeakPolarHBondContact O-CB 3.4Å; P58-L62 PolarHBondContact O-N 3.36Å; H59-L62 PolarHBondContact O-N 3.46Å; L62-A64 PolarHBondContact O-N 3.01Å; L62-L65 WeakPolarHBondContact O-CA 3.23Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 3.2Å; L62-E66 WeakPolarHBondContact O-CG 3.31Å; L62-E66 PolarHBondContact O-N 3.47Å; L62-E66 VanDerWaalsContact O-N 3.15Å; L62-N103 HydrophobicContact CD2-CB 4.5Å; L62-V104 HydrophobicContact CB-CG2 4.33Å; L62-K107 HydrophobicContact CD1-CB 3.91Å; L62-K107 HydrophobicContact CD1-CD 4.34Å; L62-K107 HydrophobicContact CD1-CG 4.02Å
63Y95.1Very high92.9Very high19 Ų1934.9 Ų34.98%0.07517%0.171CC..Hα-helixtrans-59.5-35.8176.8-67.1-49.3000111.8A15 L20 E22 H59 L65 E66 V67A15-Y63 WeakPolarHBondContact O-CB 3.48Å; L20-Y63 HydrophobicContact CB-CD2 4.44Å; L20-Y63 HydrophobicContact CB-CE2 3.65Å; L20-Y63 HydrophobicContact CD1-CD2 4.36Å; L20-Y63 HydrophobicContact CD1-CE2 4.31Å; L20-Y63 PolarHBondContact O-OH 2.89Å; E22-Y63 PolarHBondContact N-OH 3.3Å; H59-Y63 HydrophobicContact CB-CE2 4.42Å; H59-Y63 WeakPolarHBondContact O-CD2 3.45Å; H59-Y63 PolarHBondContact O-N 2.96Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.29Å; Y63-E66 WeakPolarHBondContact O-CA 3.43Å; Y63-E66 WeakPolarHBondContact O-CB 3.17Å; Y63-E66 PolarHBondContact O-N 3.12Å; Y63-V67 WeakPolarHBondContact O-CG2 3.34Å; Y63-V67 PolarHBondContact O-N 3.42Å
64A96.1Very high92.6Very high0 Ų037.6 Ų37.60%019%0.185CC..Hα-helixtrans-64.2-31.4173.500000113.6T16 K52 L53 V60 A61 L62 E66 L68T16-A64 HydrophobicContact CG2-CB 4.02Å; K52-A64 HydrophobicContact CB-CB 3.52Å; L53-A64 HydrophobicContact CD2-CB 3.78Å; L53-A64 HydrophobicContact CG-CB 4.34Å; V60-A64 VanDerWaalsContact O-CB 3.23Å; V60-A64 WeakPolarHBondContact O-CB 3.38Å; V60-A64 PolarHBondContact O-N 2.84Å; A61-A64 PolarHBondContact O-N 3.12Å; L62-A64 PolarHBondContact O-N 3.01Å; A64-E66 VanDerWaalsContact C-N 3.33Å; A64-L68 VanDerWaalsContact O-CB 3.29Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 PolarHBondContact O-N 2.97Å
65L95.2Very high92.5Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-69.6-29.2169.6-68.7165.6000112L53 A61 L62 Y63 L68 E69 V104 K107 I108 L111L53-L65 HydrophobicContact CD2-CB 4.37Å; L53-L65 HydrophobicContact CD2-CD2 3.5Å; L53-L65 VanDerWaalsContact CD2-CD2 3.5Å; L53-L65 HydrophobicContact CD2-CG 3.6Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 2.91Å; A61-L65 VanDerWaalsContact O-N 3.08Å; L62-L65 WeakPolarHBondContact O-CA 3.23Å; L62-L65 WeakPolarHBondContact O-CB 3.22Å; L62-L65 PolarHBondContact O-N 3.2Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.29Å; L65-L68 HydrophobicContact CD2-CD2 4.46Å; L65-L68 PolarHBondContact O-N 3.08Å; L65-E69 WeakPolarHBondContact O-CB 3.22Å; L65-E69 PolarHBondContact O-N 3.16Å; L65-V104 HydrophobicContact CD1-CG1 3.78Å; L65-K107 HydrophobicContact CB-CG 3.79Å; L65-K107 HydrophobicContact CD1-CB 3.97Å; L65-K107 HydrophobicContact CD1-CG 3.98Å; L65-K107 HydrophobicContact CG-CG 4.49Å; L65-I108 HydrophobicContact CD1-CD1 4.46Å; L65-I108 HydrophobicContact CD1-CG1 3.77Å; L65-I108 HydrophobicContact CD2-CG1 3.96Å; L65-L111 HydrophobicContact CB-CD1 4.15Å; L65-L111 HydrophobicContact CD2-CD1 3.94Å
66E94.6Very high92.1Very high29 Ų2931.4 Ų31.414%0.13616%0.159CC..Hα-helixtrans-78-37176.7-49-152.812400112.5T23 L62 Y63 A64 L68 S70 K107T23-E66 HydrophobicContact CG2-CB 4.36Å; T23-E66 VanDerWaalsContact CG2-OE2 3.23Å; T23-E66 WeakPolarHBondContact CG2-OE2 3.45Å; T23-E66 PolarHBondContact OG1-OE2 3.27Å; L62-E66 WeakPolarHBondContact O-CG 3.31Å; L62-E66 PolarHBondContact O-N 3.47Å; L62-E66 VanDerWaalsContact O-N 3.15Å; Y63-E66 WeakPolarHBondContact O-CA 3.43Å; Y63-E66 WeakPolarHBondContact O-CB 3.17Å; Y63-E66 PolarHBondContact O-N 3.12Å; A64-E66 VanDerWaalsContact C-N 3.33Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-S70 WeakPolarHBondContact O-CB 3.33Å; E66-S70 PolarHBondContact O-N 3.03Å; E66-S70 PolarHBondContact O-OG 2.91Å; E66-K107 IonicContact OE1-NZ 2.66Å; E66-K107 PolarHBondContact OE1-NZ 2.93Å
67V95.9Very high91.9Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-60-46.5166.5-175.50000109.3L12 A15 T16 I28 I31 I49 Y63 S70 V71L12-V67 HydrophobicContact CD1-CG1 4.05Å; L12-V67 HydrophobicContact CD1-CG2 4.27Å; A15-V67 HydrophobicContact CB-CG2 4.13Å; T16-V67 HydrophobicContact CG2-CG2 4.09Å; I28-V67 HydrophobicContact CD1-CG2 4.19Å; I28-V67 HydrophobicContact CG1-CG2 3.92Å; I31-V67 HydrophobicContact CD1-CG1 4.17Å; I31-V67 HydrophobicContact CG2-CG1 4.2Å; I49-V67 HydrophobicContact CD1-CG1 3.81Å; I49-V67 HydrophobicContact CG1-CG1 4.06Å; Y63-V67 WeakPolarHBondContact O-CG2 3.34Å; Y63-V67 PolarHBondContact O-N 3.42Å; V67-S70 PolarHBondContact O-N 3.41Å; V67-V71 HydrophobicContact CG1-CG1 4.47Å; V67-V71 WeakPolarHBondContact O-CG2 3.38Å; V67-V71 PolarHBondContact O-N 3.32Å
68L95.3Very high91.9Very high4 Ų428.3 Ų28.32%0.02115%0.153CC..Hα-helixtrans-60.7-46.1178.9-175.460000112.4I46 I49 L53 A64 L65 E66 S70 V71 V72 V83 W115I46-L68 HydrophobicContact CD1-CD1 3.59Å; I49-L68 HydrophobicContact CG2-CB 3.98Å; I49-L68 HydrophobicContact CG2-CD1 4.31Å; L53-L68 HydrophobicContact CD1-CD2 3.98Å; A64-L68 VanDerWaalsContact O-CB 3.29Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 PolarHBondContact O-N 2.97Å; L65-L68 HydrophobicContact CD2-CD2 4.46Å; L65-L68 PolarHBondContact O-N 3.08Å; E66-L68 VanDerWaalsContact C-N 3.32Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.27Å; L68-V71 HydrophobicContact CD1-CG2 4.44Å; L68-V71 WeakPolarHBondContact O-CG2 3.46Å; L68-V72 HydrophobicContact CD1-CG2 4.37Å; L68-V72 WeakPolarHBondContact O-CB 3.37Å; L68-V72 VanDerWaalsContact O-CG2 3.24Å; L68-V72 WeakPolarHBondContact O-CG2 3.17Å; L68-V72 PolarHBondContact O-N 3.02Å; L68-V72 VanDerWaalsContact O-N 3.08Å; L68-V83 HydrophobicContact CD1-CG2 3.95Å; L68-W115 HydrophobicContact CD2-CH2 3.76Å; L68-W115 HydrophobicContact CD2-CZ2 4.37Å; L68-W115 HydrophobicContact CG-CH2 3.98Å; L68-W115 HydrophobicContact CG-CZ2 4.14Å
69E93.4Very high92Very high19 Ų1926.4 Ų26.49%0.08914%0.141CC..Hα-helixtrans-54-48.3173.4-173.4-176.815600111.2L65 V72 K73 K107 L111L65-E69 WeakPolarHBondContact O-CB 3.22Å; L65-E69 PolarHBondContact O-N 3.16Å; E69-V72 PolarHBondContact O-N 3.43Å; E69-K73 HydrophobicContact CG-CD 4.02Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 WeakPolarHBondContact O-CG 3.47Å; E69-K73 PolarHBondContact O-N 3.4Å; E69-K73 WeakPolarHBondContact OE1-CE 2.95Å; E69-K73 IonicContact OE1-NZ 3.92Å; E69-K73 PolarHBondContact OE1-NZ 2.77Å; E69-K107 WeakPolarHBondContact OE2-CE 3.48Å; E69-K107 IonicContact OE2-NZ 2.66Å; E69-K107 PolarHBondContact OE2-NZ 3Å; E69-L111 HydrophobicContact CB-CD2 3.63Å; E69-L111 HydrophobicContact CG-CD2 3.57Å
70S92.6Very high92.1Very high7 Ų722 Ų225%0.04912%0.12CC..Hα-helixtrans-69.8-41.8-173.8-58.90000112.3I28 E66 V67 L68 K73 N74I28-S70 WeakPolarHBondContact CG2-OG 3.34Å; E66-S70 WeakPolarHBondContact O-CB 3.33Å; E66-S70 PolarHBondContact O-N 3.03Å; E66-S70 PolarHBondContact O-OG 2.91Å; V67-S70 PolarHBondContact O-N 3.41Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.27Å; S70-K73 PolarHBondContact O-N 2.95Å; S70-N74 WeakPolarHBondContact O-CB 3.49Å; S70-N74 PolarHBondContact O-N 3.4Å; S70-N74 PolarHBondContact O-ND2 3.42Å
71V93.5Very high91.9Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-67.6-37.2175.6-60.50000111.6I31 I35 I46 I49 V67 L68 N74 C75 I79I31-V71 HydrophobicContact CG2-CG1 3.79Å; I35-V71 HydrophobicContact CD1-CB 4.17Å; I35-V71 HydrophobicContact CD1-CG1 3.62Å; I46-V71 HydrophobicContact CD1-CG2 4.05Å; I49-V71 HydrophobicContact CD1-CG1 4.42Å; I49-V71 HydrophobicContact CD1-CG2 4.05Å; V67-V71 HydrophobicContact CG1-CG1 4.47Å; V67-V71 WeakPolarHBondContact O-CG2 3.38Å; V67-V71 PolarHBondContact O-N 3.32Å; L68-V71 HydrophobicContact CD1-CG2 4.44Å; L68-V71 WeakPolarHBondContact O-CG2 3.46Å; V71-N74 PolarHBondContact O-N 3.33Å; V71-C75 WeakPolarHBondContact O-CB 3.38Å; V71-C75 PolarHBondContact O-N 3Å; V71-C75 PolarHBondContact O-SG 3.19Å; V71-C75 VanDerWaalsContact O-SG 3.35Å; V71-I79 HydrophobicContact CB-CG2 4.45Å; V71-I79 HydrophobicContact CG2-CD1 4.49Å; V71-I79 HydrophobicContact CG2-CG2 4.11Å
72V92.4Very high91.9Very high0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-66.2-42.4174.2173.80000111.1L68 E69 N74 I79 H80 V83 W115 F152L68-V72 HydrophobicContact CD1-CG2 4.37Å; L68-V72 WeakPolarHBondContact O-CB 3.37Å; L68-V72 VanDerWaalsContact O-CG2 3.24Å; L68-V72 WeakPolarHBondContact O-CG2 3.17Å; L68-V72 PolarHBondContact O-N 3.02Å; L68-V72 VanDerWaalsContact O-N 3.08Å; E69-V72 PolarHBondContact O-N 3.43Å; V72-N74 PolarHBondContact O-N 3.29Å; V72-I79 HydrophobicContact CB-CG2 4.38Å; V72-I79 HydrophobicContact CG2-CG2 3.75Å; V72-H80 PolarHBondContact O-NE2 2.86Å; V72-V83 HydrophobicContact CG2-CB 4.13Å; V72-V83 HydrophobicContact CG2-CG1 3.95Å; V72-V83 HydrophobicContact CG2-CG2 3.8Å; V72-W115 HydrophobicContact CB-CZ2 4.46Å; V72-W115 HydrophobicContact CG2-CZ2 4Å; V72-F152 HydrophobicContact CG1-CD1 4.38Å; V72-F152 HydrophobicContact CG1-CE1 3.66Å; V72-F152 HydrophobicContact CG1-CE2 4.46Å; V72-F152 HydrophobicContact CG1-CZ 3.7Å
73K89Confident91.9Very high39 Ų3925.2 Ų25.217%0.1714%0.136CC..Hα-helixtrans-65.9-34.6177.4-79.8179.2177.8175.60112.7E69 S70 Y110 F152 A153E69-K73 HydrophobicContact CG-CD 4.02Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 WeakPolarHBondContact O-CG 3.47Å; E69-K73 PolarHBondContact O-N 3.4Å; E69-K73 WeakPolarHBondContact OE1-CE 2.95Å; E69-K73 IonicContact OE1-NZ 3.92Å; E69-K73 PolarHBondContact OE1-NZ 2.77Å; S70-K73 PolarHBondContact O-N 2.95Å; K73-Y110 PolarHBondContact NZ-OH 3.35Å; K73-Y110 VanDerWaalsContact NZ-OH 3.1Å; K73-F152 HydrophobicContact CG-CD1 3.95Å; K73-F152 HydrophobicContact CG-CE1 4.46Å; K73-A153 WeakPolarHBondContact O-CB 3.18Å; K73-A153 PolarHBondContact O-N 2.99Å
74N87.7Confident91.7Very high63 Ų6324.5 Ų24.534%0.33713%0.134SC..Hα-helixtrans-110.8-22.8-168.2-67-80.5000116.8C32 R36 S70 V71 V72C32-N74 HydrophobicContact CB-CB 4.24Å; R36-N74 WeakPolarHBondContact CD-O 3.17Å; S70-N74 WeakPolarHBondContact O-CB 3.49Å; S70-N74 PolarHBondContact O-N 3.4Å; S70-N74 PolarHBondContact O-ND2 3.42Å; V71-N74 PolarHBondContact O-N 3.33Å; V72-N74 PolarHBondContact O-N 3.29Å
75C86.6Confident91.6Very high16 Ų1626.2 Ų26.211%0.10815%0.146CC..Hα-helixtrans-96-10.1-170.8-56.80000114.7I35 V71 I79I35-C75 HydrophobicContact CG2-CB 3.83Å; V71-C75 WeakPolarHBondContact O-CB 3.38Å; V71-C75 PolarHBondContact O-N 3Å; V71-C75 PolarHBondContact O-SG 3.19Å; V71-C75 VanDerWaalsContact O-SG 3.35Å; C75-I79 HydrophobicContact CB-CB 4.1Å; C75-I79 HydrophobicContact CB-CG1 3.57Å
76G84.9Confident91.4Very high25 Ų2533 Ų3326%0.25818%0.175SC..THydrogen-bonded Turntrans70.2-156.6176.100000115.1T78 I79 H80G76-T78 PolarHBondContact O-N 3.27Å; G76-I79 PolarHBondContact O-N 2.81Å; G76-H80 PolarHBondContact O-CD2 3.31Å; G76-H80 VanDerWaalsContact O-CG 3.31Å; G76-H80 PolarHBondContact O-N 2.77Å; G76-H80 VanDerWaalsContact O-N 3.13Å
77Q85.5Confident91.3Very high93 Ų9337.9 Ų37.944%0.43520%0.198SC..Hα-helixtrans-53.3-32.1-162.9-157.576.3-13.800115I79 H80 D81 Y125Q77-I79 VanDerWaalsContact C-N 3.33Å; Q77-I79 PolarHBondContact O-N 2.9Å; Q77-H80 PolarHBondContact O-N 3.03Å; Q77-D81 PolarHBondContact O-N 2.95Å; Q77-Y125 PolarHBondContact NE2-OH 2.92Å; Q77-Y125 PolarHBondContact OE1-OH 3.1Å
78T89.6Confident91.1Very high85 Ų8538 Ų3852%0.52120%0.199SC..Hα-helixtrans-67.4-31.6-17955.60000113A42 G76A42-T78 VanDerWaalsContact CB-O 3.31Å; A42-T78 WeakPolarHBondContact CB-O 3.18Å; G76-T78 PolarHBondContact O-N 3.27Å
79I93.5Very high91Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-85.6-36171.5-74.3-71.4000110.5I35 A42 I46 V71 V72 C75 G76 Q77 D81 E82 V83I35-I79 HydrophobicContact CD1-CD1 4.32Å; I35-I79 HydrophobicContact CG2-CD1 4.15Å; I35-I79 HydrophobicContact CG2-CG1 3.91Å; A42-I79 HydrophobicContact CB-CD1 3.64Å; A42-I79 HydrophobicContact CB-CG1 4Å; I46-I79 HydrophobicContact CD1-CD1 3.89Å; I46-I79 HydrophobicContact CD1-CG2 4.17Å; I46-I79 HydrophobicContact CG1-CD1 3.61Å; V71-I79 HydrophobicContact CB-CG2 4.45Å; V71-I79 HydrophobicContact CG2-CD1 4.49Å; V71-I79 HydrophobicContact CG2-CG2 4.11Å; V72-I79 HydrophobicContact CB-CG2 4.38Å; V72-I79 HydrophobicContact CG2-CG2 3.75Å; C75-I79 HydrophobicContact CB-CB 4.1Å; C75-I79 HydrophobicContact CB-CG1 3.57Å; G76-I79 PolarHBondContact O-N 2.81Å; Q77-I79 VanDerWaalsContact C-N 3.33Å; Q77-I79 PolarHBondContact O-N 2.9Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 2.66Å; I79-E82 PolarHBondContact O-N 3.4Å; I79-V83 HydrophobicContact CG2-CG2 4.1Å; I79-V83 WeakPolarHBondContact O-CG2 3.34Å; I79-V83 PolarHBondContact O-N 3.28Å
80H91.5Very high91Very high16 Ų1640.9 Ų40.97%0.07421%0.212CC..Hα-helixtrans-58.6-41.5177.3-57.9168.4000111.8V72 G76 Q77 E82 V83 A84 F119 Y125 F152V72-H80 PolarHBondContact O-NE2 2.86Å; G76-H80 PolarHBondContact O-CD2 3.31Å; G76-H80 VanDerWaalsContact O-CG 3.31Å; G76-H80 PolarHBondContact O-N 2.77Å; G76-H80 VanDerWaalsContact O-N 3.13Å; Q77-H80 PolarHBondContact O-N 3.03Å; H80-E82 PolarHBondContact O-N 2.75Å; H80-V83 PolarHBondContact O-N 2.94Å; H80-A84 VanDerWaalsContact O-CB 3.23Å; H80-A84 WeakPolarHBondContact O-CB 3.39Å; H80-A84 PolarHBondContact O-N 3.14Å; H80-F119 HydrophobicContact CB-CE1 3.68Å; H80-F119 HydrophobicContact CB-CZ 3.72Å; H80-F119 AromaticContact CD2-CZ 3.75Å; H80-F119 AromaticContact CG-CE1 3.52Å; H80-F119 AromaticContact CG-CZ 3.62Å; H80-F119 AromaticContact ND1-CE1 3.61Å; H80-Y125 HydrophobicContact CB-CE2 3.98Å; H80-Y125 WeakPolarHBondContact CB-OH 3.38Å; H80-F152 AromaticContact CE1-CD2 3.8Å; H80-F152 AromaticContact NE2-CD2 3.92Å
81D90.8Very high91Very high67 Ų6743.9 Ų43.936%0.35823%0.225SC..Hα-helixtrans-60.1-37.1177.2-92.612.9000114.7Q77 I79 K124 Y125Q77-D81 PolarHBondContact O-N 2.95Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 2.66Å; D81-K124 VanDerWaalsContact OD1-CE 3.28Å; D81-K124 WeakPolarHBondContact OD1-CE 3.44Å; D81-K124 IonicContact OD1-NZ 3.37Å; D81-K124 PolarHBondContact OD1-NZ 3.1Å; D81-K124 IonicContact OD2-NZ 2.71Å; D81-K124 PolarHBondContact OD2-NZ 3.21Å; D81-Y125 PolarHBondContact N-OH 3.39Å; D81-Y125 VanDerWaalsContact OD1-CE1 3.32Å; D81-Y125 WeakPolarHBondContact OD1-CE1 3.29Å; D81-Y125 PolarHBondContact OD1-OH 2.96Å
82E93.5Very high91Very high48 Ų4844.1 Ų44.122%0.22423%0.227CC..Hα-helixtrans-81.4-36.1179.1-68-76.8159.400111.2K43 I46 I79 H80 S85 T88K43-E82 HydrophobicContact CB-CG 4.2Å; K43-E82 WeakPolarHBondContact CB-OE1 3.33Å; K43-E82 WeakPolarHBondContact CD-OE1 3.45Å; K43-E82 WeakPolarHBondContact CG-OE1 3.01Å; K43-E82 IonicContact NZ-OE1 3.33Å; K43-E82 PolarHBondContact NZ-OE1 3.45Å; K43-E82 IonicContact NZ-OE2 2.68Å; K43-E82 PolarHBondContact NZ-OE2 3.47Å; I46-E82 HydrophobicContact CB-CB 4.37Å; I46-E82 HydrophobicContact CG1-CB 4.23Å; I46-E82 HydrophobicContact CG2-CB 4.33Å; I79-E82 PolarHBondContact O-N 3.4Å; H80-E82 PolarHBondContact O-N 2.75Å; E82-S85 PolarHBondContact O-OG 2.94Å; E82-T88 PolarHBondContact O-OG1 2.83Å
83V92.8Very high91Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-80.7-42.8-177.31760000112.9I46 L68 V72 I79 H80 S85 T88 M89 W115I46-V83 HydrophobicContact CD1-CG2 3.53Å; I46-V83 HydrophobicContact CG1-CG2 4.04Å; I46-V83 HydrophobicContact CG2-CG2 4.42Å; L68-V83 HydrophobicContact CD1-CG2 3.95Å; V72-V83 HydrophobicContact CG2-CB 4.13Å; V72-V83 HydrophobicContact CG2-CG1 3.95Å; V72-V83 HydrophobicContact CG2-CG2 3.8Å; I79-V83 HydrophobicContact CG2-CG2 4.1Å; I79-V83 WeakPolarHBondContact O-CG2 3.34Å; I79-V83 PolarHBondContact O-N 3.28Å; H80-V83 PolarHBondContact O-N 2.94Å; V83-S85 PolarHBondContact O-N 2.83Å; V83-T88 HydrophobicContact CG1-CG2 4.42Å; V83-T88 WeakPolarHBondContact O-CB 3.25Å; V83-T88 VanDerWaalsContact O-CG2 3.3Å; V83-T88 WeakPolarHBondContact O-CG2 3.45Å; V83-M89 VanDerWaalsContact O-CE 3.3Å; V83-M89 WeakPolarHBondContact O-CE 3.38Å; V83-W115 HydrophobicContact CG1-CD2 4.37Å; V83-W115 HydrophobicContact CG1-CE3 3.81Å; V83-W115 HydrophobicContact CG1-CH2 3.56Å; V83-W115 HydrophobicContact CG1-CZ2 4.14Å; V83-W115 HydrophobicContact CG1-CZ3 3.37Å
84A92Very high91.2Very high4 Ų447 Ų473%0.03324%0.243CC..THydrogen-bonded Turntrans-81.630.9179.200000113.2H80 F119 Y125 V127 V128H80-A84 VanDerWaalsContact O-CB 3.23Å; H80-A84 WeakPolarHBondContact O-CB 3.39Å; H80-A84 PolarHBondContact O-N 3.14Å; A84-F119 HydrophobicContact CB-CD2 4.25Å; A84-F119 HydrophobicContact CB-CE2 4Å; A84-F119 HydrophobicContact CB-CZ 4.41Å; A84-Y125 HydrophobicContact CB-CD1 3.37Å; A84-Y125 HydrophobicContact CB-CD2 4.45Å; A84-Y125 HydrophobicContact CB-CE1 3.96Å; A84-Y125 HydrophobicContact CB-CG 3.65Å; A84-V127 VanDerWaalsContact O-CG1 3.23Å; A84-V127 WeakPolarHBondContact O-CG1 3.42Å; A84-V128 HydrophobicContact CB-CG2 3.63Å
85S92.4Very high91.3Very high35 Ų3544.4 Ų44.425%0.24523%0.229CC..SBendtrans-97.4150.8178.768.50000111.7E82 V83 Q87 T88 M89E82-S85 PolarHBondContact O-OG 2.94Å; V83-S85 PolarHBondContact O-N 2.83Å; S85-Q87 PolarHBondContact O-N 3.25Å; S85-T88 PolarHBondContact O-N 3.3Å; S85-T88 VanDerWaalsContact O-N 3.13Å; S85-T88 PolarHBondContact OG-OG1 3.24Å; S85-M89 PolarHBondContact O-N 3.21Å
86K91.3Very high91.6Very high144 Ų14443.9 Ų43.963%0.62623%0.225SC*.Hα-helixtrans-55.9-40.1179.6-174.8176.7178.7179.90112.3M89 E90 V127K86-M89 PolarHBondContact O-N 3.23Å; K86-E90 HydrophobicContact CG-CG 4.47Å; K86-E90 WeakPolarHBondContact O-CG 3.22Å; K86-E90 PolarHBondContact O-N 3.23Å; K86-V127 HydrophobicContact CB-CG2 4.02Å; K86-V127 HydrophobicContact CG-CG2 4.16Å
87Q92.6Very high91.8Very high130 Ų13047.9 Ų47.961%0.60724%0.235SC*.Hα-helixtrans-59-49.4177.3178.8178.4-15.500111.5S85 M89 E90 E91S85-Q87 PolarHBondContact O-N 3.25Å; Q87-M89 VanDerWaalsContact C-N 3.29Å; Q87-M89 PolarHBondContact O-N 3.36Å; Q87-E90 PolarHBondContact O-N 3.01Å; Q87-E91 HydrophobicContact CG-CG 4.4Å; Q87-E91 VanDerWaalsContact CG-OE1 3.25Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.42Å; Q87-E91 PolarHBondContact NE2-OE1 3.41Å; Q87-E91 WeakPolarHBondContact O-CB 3.29Å; Q87-E91 VanDerWaalsContact O-CG 3.3Å; Q87-E91 WeakPolarHBondContact O-CG 3.19Å; Q87-E91 PolarHBondContact O-N 2.99Å
88T92.1Very high92Very high4 Ų449.8 Ų49.83%0.02524%0.242CC..Hα-helixtrans-62.5-35.6178-55.30000112.1K50 E82 V83 S85 E91 L92K50-T88 WeakPolarHBondContact CE-OG1 3.38Å; K50-T88 PolarHBondContact NZ-OG1 3.33Å; E82-T88 PolarHBondContact O-OG1 2.83Å; V83-T88 HydrophobicContact CG1-CG2 4.42Å; V83-T88 WeakPolarHBondContact O-CB 3.25Å; V83-T88 VanDerWaalsContact O-CG2 3.3Å; V83-T88 WeakPolarHBondContact O-CG2 3.45Å; S85-T88 PolarHBondContact O-N 3.3Å; S85-T88 VanDerWaalsContact O-N 3.13Å; S85-T88 PolarHBondContact OG-OG1 3.24Å; T88-E91 PolarHBondContact O-N 3.11Å; T88-L92 HydrophobicContact CG2-CD1 3.98Å; T88-L92 HydrophobicContact CG2-CG 4.41Å; T88-L92 WeakPolarHBondContact O-CB 3.36Å; T88-L92 VanDerWaalsContact O-CG 3.31Å; T88-L92 WeakPolarHBondContact O-CG 3.46Å; T88-L92 PolarHBondContact O-N 3.16Å
89M94.1Very high91.9Very high0 Ų046.9 Ų46.90%022%0.222CC..Hα-helixtrans-69.7-37.6176.7-68.2-57.7107.900113.4V83 S85 K86 Q87 L92 K93 W115 V127 V128 T131V83-M89 VanDerWaalsContact O-CE 3.3Å; V83-M89 WeakPolarHBondContact O-CE 3.38Å; S85-M89 PolarHBondContact O-N 3.21Å; K86-M89 PolarHBondContact O-N 3.23Å; Q87-M89 VanDerWaalsContact C-N 3.29Å; Q87-M89 PolarHBondContact O-N 3.36Å; M89-L92 HydrophobicContact CE-CD1 3.87Å; M89-K93 VanDerWaalsContact O-CE 3.31Å; M89-K93 WeakPolarHBondContact O-CE 3.49Å; M89-K93 WeakPolarHBondContact O-CG 3.32Å; M89-K93 PolarHBondContact O-N 3.37Å; M89-K93 VanDerWaalsContact O-N 3.13Å; M89-W115 HydrophobicContact CE-CE3 4.17Å; M89-W115 HydrophobicContact CE-CZ3 4.13Å; M89-V127 HydrophobicContact CB-CG2 4.48Å; M89-V127 HydrophobicContact CG-CG1 4.25Å; M89-V127 HydrophobicContact CG-CG2 4.31Å; M89-V128 HydrophobicContact CE-CG2 4.07Å; M89-V128 HydrophobicContact CG-CG2 4.33Å; M89-V128 HydrophobicContact SD-CB 4.17Å; M89-V128 HydrophobicContact SD-CG1 4.04Å; M89-V128 HydrophobicContact SD-CG2 3.93Å; M89-T131 HydrophobicContact CB-CG2 4.27Å; M89-T131 WeakPolarHBondContact CB-OG1 3.44Å; M89-T131 HydrophobicContact SD-CG2 4.2Å
90E93.4Very high91.6Very high83 Ų8352.6 Ų52.639%0.38826%0.258SS..Hα-helixtrans-66.2-46.8170.4-62.8-51.4144.200110.9K86 Q87 L92 K93 D94K86-E90 HydrophobicContact CG-CG 4.47Å; K86-E90 WeakPolarHBondContact O-CG 3.22Å; K86-E90 PolarHBondContact O-N 3.23Å; Q87-E90 PolarHBondContact O-N 3.01Å; E90-L92 VanDerWaalsContact C-N 3.3Å; E90-L92 PolarHBondContact O-N 2.94Å; E90-K93 PolarHBondContact O-N 3.22Å; E90-K93 VanDerWaalsContact O-N 3.16Å; E90-K93 IonicContact OE1-NZ 2.65Å; E90-K93 PolarHBondContact OE1-NZ 3.05Å; E90-K93 WeakPolarHBondContact OE2-CE 3.2Å; E90-K93 IonicContact OE2-NZ 3.46Å; E90-K93 PolarHBondContact OE2-NZ 2.92Å; E90-D94 WeakPolarHBondContact O-CB 3.43Å; E90-D94 PolarHBondContact O-N 3.42Å
91E92.9Very high91.5Very high69 Ų6955.6 Ų55.632%0.32227%0.272SS..Hα-helixtrans-57.5-39.2177.7-73.6168.2-18000112.8K50 Q87 T88 D94 L95K50-E91 WeakPolarHBondContact CD-OE2 3.36Å; K50-E91 WeakPolarHBondContact CE-OE2 3.17Å; K50-E91 IonicContact NZ-OE1 2.76Å; K50-E91 IonicContact NZ-OE2 3.2Å; K50-E91 PolarHBondContact NZ-OE2 2.93Å; Q87-E91 HydrophobicContact CG-CG 4.4Å; Q87-E91 VanDerWaalsContact CG-OE1 3.25Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.42Å; Q87-E91 PolarHBondContact NE2-OE1 3.41Å; Q87-E91 WeakPolarHBondContact O-CB 3.29Å; Q87-E91 VanDerWaalsContact O-CG 3.3Å; Q87-E91 WeakPolarHBondContact O-CG 3.19Å; Q87-E91 PolarHBondContact O-N 2.99Å; T88-E91 PolarHBondContact O-N 3.11Å; E91-D94 PolarHBondContact O-N 3.12Å; E91-L95 VanDerWaalsContact O-CB 3.3Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 PolarHBondContact O-N 3.16Å
92L92.9Very high91.4Very high6 Ų655.7 Ų55.73%0.03128%0.276CS..Hα-helixtrans-72.9-35.9176.5-74.4169.7000113.2T88 M89 E90 L95 F96 I108 I112 W115T88-L92 HydrophobicContact CG2-CD1 3.98Å; T88-L92 HydrophobicContact CG2-CG 4.41Å; T88-L92 WeakPolarHBondContact O-CB 3.36Å; T88-L92 VanDerWaalsContact O-CG 3.31Å; T88-L92 WeakPolarHBondContact O-CG 3.46Å; T88-L92 PolarHBondContact O-N 3.16Å; M89-L92 HydrophobicContact CE-CD1 3.87Å; E90-L92 VanDerWaalsContact C-N 3.3Å; E90-L92 PolarHBondContact O-N 2.94Å; L92-L95 HydrophobicContact CD2-CD2 4.45Å; L92-L95 PolarHBondContact O-N 3.28Å; L92-F96 VanDerWaalsContact O-CB 3.29Å; L92-F96 WeakPolarHBondContact O-CB 3.43Å; L92-F96 PolarHBondContact O-N 3.02Å; L92-I108 HydrophobicContact CB-CG2 4.48Å; L92-I108 HydrophobicContact CD2-CG2 4.47Å; L92-I112 HydrophobicContact CB-CD1 4.4Å; L92-W115 HydrophobicContact CD1-CH2 4.28Å; L92-W115 HydrophobicContact CD1-CZ3 3.68Å
93K91.9Very high91.3Very high21 Ų2158.2 Ų58.29%0.09129%0.291CS..Hα-helixtrans-63.7-43.2170.5-81.7-177.6-801560111.2M89 E90 F96 K97 T131 L135M89-K93 VanDerWaalsContact O-CE 3.31Å; M89-K93 WeakPolarHBondContact O-CE 3.49Å; M89-K93 WeakPolarHBondContact O-CG 3.32Å; M89-K93 PolarHBondContact O-N 3.37Å; M89-K93 VanDerWaalsContact O-N 3.13Å; E90-K93 PolarHBondContact O-N 3.22Å; E90-K93 VanDerWaalsContact O-N 3.16Å; E90-K93 IonicContact OE1-NZ 2.65Å; E90-K93 PolarHBondContact OE1-NZ 3.05Å; E90-K93 WeakPolarHBondContact OE2-CE 3.2Å; E90-K93 IonicContact OE2-NZ 3.46Å; E90-K93 PolarHBondContact OE2-NZ 2.92Å; K93-F96 PolarHBondContact O-N 3.32Å; K93-K97 WeakPolarHBondContact O-CB 3.43Å; K93-K97 WeakPolarHBondContact O-CG 3.38Å; K93-K97 PolarHBondContact O-N 3.49Å; K93-T131 HydrophobicContact CD-CG2 3.92Å; K93-T131 HydrophobicContact CG-CG2 3.94Å; K93-L135 HydrophobicContact CG-CD1 4.38Å; K93-L135 HydrophobicContact CG-CD2 4.29Å; K93-L135 HydrophobicContact CG-CG 4.43Å
94D92.8Very high91.3Very high79 Ų7958.2 Ų58.242%0.42229%0.291SS..Hα-helixtrans-63.4-44176.4-112.935.1000111.5E90 E91 K97 K98E90-D94 WeakPolarHBondContact O-CB 3.43Å; E90-D94 PolarHBondContact O-N 3.42Å; E91-D94 PolarHBondContact O-N 3.12Å; D94-K97 PolarHBondContact O-N 3.34Å; D94-K98 WeakPolarHBondContact O-CB 3.46Å; D94-K98 WeakPolarHBondContact O-CD 3.34Å; D94-K98 WeakPolarHBondContact O-CG 3.29Å; D94-K98 PolarHBondContact O-N 3.39Å; D94-K98 WeakPolarHBondContact OD2-CE 3.36Å; D94-K98 IonicContact OD2-NZ 2.77Å; D94-K98 PolarHBondContact OD2-NZ 3.46Å
95L90.6Very high91.3Very high8 Ų861.2 Ų61.24%0.04230%0.302CS..Hα-helixtrans-62.3-47.3175.3-175.464.5000111L53 E91 L92 K97 K98 Q99 I108L53-L95 HydrophobicContact CB-CD2 4.03Å; L53-L95 WeakPolarHBondContact O-CD1 3.36Å; E91-L95 VanDerWaalsContact O-CB 3.3Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 PolarHBondContact O-N 3.16Å; L92-L95 HydrophobicContact CD2-CD2 4.45Å; L92-L95 PolarHBondContact O-N 3.28Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 2.78Å; L95-K98 PolarHBondContact O-N 3.43Å; L95-K98 VanDerWaalsContact O-N 3.15Å; L95-Q99 HydrophobicContact CD1-CG 3.84Å; L95-Q99 HydrophobicContact CG-CG 4.02Å; L95-Q99 WeakPolarHBondContact O-CB 3.09Å; L95-Q99 VanDerWaalsContact O-CG 3.23Å; L95-Q99 WeakPolarHBondContact O-CG 3.35Å; L95-Q99 PolarHBondContact O-N 2.89Å; L95-I108 HydrophobicContact CB-CD1 4.37Å; L95-I108 HydrophobicContact CD2-CD1 3.87Å; L95-I108 HydrophobicContact CG-CD1 3.86Å
96F91.8Very high91.3Very high4 Ų463.8 Ų63.82%0.01831%0.312CS..Hα-helixtrans-60.6-35.1175.3173.9-97.8000112.7L92 K93 R105 I108 L109 L135 H140L92-F96 VanDerWaalsContact O-CB 3.29Å; L92-F96 WeakPolarHBondContact O-CB 3.43Å; L92-F96 PolarHBondContact O-N 3.02Å; K93-F96 PolarHBondContact O-N 3.32Å; F96-R105 HydrophobicContact CD2-CB 4.05Å; F96-R105 HydrophobicContact CD2-CG 4.35Å; F96-R105 VanDerWaalsContact CE1-NH2 3.34Å; F96-R105 HydrophobicContact CE2-CB 3.93Å; F96-R105 HydrophobicContact CE2-CG 4.43Å; F96-R105 VanDerWaalsContact O-CZ 3.26Å; F96-R105 PolarHBondContact O-NH1 3.47Å; F96-R105 PolarHBondContact O-NH2 2.96Å; F96-I108 HydrophobicContact CB-CD1 4.26Å; F96-I108 HydrophobicContact CB-CG2 4.11Å; F96-L109 HydrophobicContact CD2-CD2 4.26Å; F96-L109 HydrophobicContact CD2-CG 4.14Å; F96-L109 HydrophobicContact CE2-CD1 3.65Å; F96-L109 HydrophobicContact CE2-CD2 3.77Å; F96-L109 HydrophobicContact CE2-CG 3.56Å; F96-L109 HydrophobicContact CZ-CD1 4Å; F96-L109 HydrophobicContact CZ-CD2 3.96Å; F96-L109 HydrophobicContact CZ-CG 4.15Å; F96-L135 HydrophobicContact CD1-CD2 4.13Å; F96-L135 HydrophobicContact CE1-CD2 4.18Å; F96-H140 AromaticContact CE1-CD2 3.58Å; F96-H140 AromaticContact CE1-CE1 3.83Å; F96-H140 AromaticContact CE1-CG 3.81Å; F96-H140 AromaticContact CE1-ND1 3.95Å; F96-H140 AromaticContact CE1-NE2 3.57Å; F96-H140 HydrophobicContact CZ-CB 4.29Å; F96-H140 AromaticContact CZ-CG 3.79Å; F96-H140 AromaticContact CZ-ND1 3.93Å
97K90Very high91.4Very high109 Ų10958.6 Ų58.647%0.47429%0.29SS..Hα-helixtrans-75.6-27.8176.1-73.3175.9-179.7-179.10112.7K93 D94 L95 E138K93-K97 WeakPolarHBondContact O-CB 3.43Å; K93-K97 WeakPolarHBondContact O-CG 3.38Å; K93-K97 PolarHBondContact O-N 3.49Å; D94-K97 PolarHBondContact O-N 3.34Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 2.78Å; K97-E138 VanDerWaalsContact NZ-CD 3.27Å; K97-E138 IonicContact NZ-OE1 2.68Å; K97-E138 PolarHBondContact NZ-OE1 3.44Å; K97-E138 IonicContact NZ-OE2 3.13Å; K97-E138 PolarHBondContact NZ-OE2 3.02Å
98K90.4Very high91.5Very high134 Ų13452.4 Ų52.458%0.58326%0.261SS*.Hα-helixtrans-86.5-28.9177.2-68.3161.9-163.4168.90114.5D94 L95D94-K98 WeakPolarHBondContact O-CB 3.46Å; D94-K98 WeakPolarHBondContact O-CD 3.34Å; D94-K98 WeakPolarHBondContact O-CG 3.29Å; D94-K98 PolarHBondContact O-N 3.39Å; D94-K98 WeakPolarHBondContact OD2-CE 3.36Å; D94-K98 IonicContact OD2-NZ 2.77Å; D94-K98 PolarHBondContact OD2-NZ 3.46Å; L95-K98 PolarHBondContact O-N 3.43Å; L95-K98 VanDerWaalsContact O-N 3.15Å
99Q87.2Confident91.6Very high23 Ų2352.5 Ų52.511%0.10726%0.262CS..  trans-74.5125.3-174.8-79.4-69.1-8.300112.5L95 V104 R105L95-Q99 HydrophobicContact CD1-CG 3.84Å; L95-Q99 HydrophobicContact CG-CG 4.02Å; L95-Q99 WeakPolarHBondContact O-CB 3.09Å; L95-Q99 VanDerWaalsContact O-CG 3.23Å; L95-Q99 WeakPolarHBondContact O-CG 3.35Å; L95-Q99 PolarHBondContact O-N 2.89Å; Q99-V104 HydrophobicContact CB-CG1 4.42Å; Q99-V104 HydrophobicContact CG-CB 4.45Å; Q99-V104 HydrophobicContact CG-CG1 3.81Å; Q99-R105 HydrophobicContact CB-CG 4.15Å; Q99-R105 WeakPolarHBondContact O-CD 3.39Å; Q99-R105 PolarHBondContact O-NH1 2.69Å
100T86.7Confident91.6Very high121 Ų12154.5 Ų54.574%0.74227%0.269SS*.  trans-83-32.217551.10000112.6
101E89.6Confident91.7Very high78 Ų7850.7 Ų50.736%0.36425%0.252SS..  trans-74.4123.2-172.2-82.6-57.6125.200113.1P58 N103 V104 R105P58-E101 HydrophobicContact CB-CB 4.04Å; P58-E101 HydrophobicContact CB-CG 3.54Å; P58-E101 HydrophobicContact CG-CG 3.79Å; E101-N103 VanDerWaalsContact C-N 3.26Å; E101-N103 PolarHBondContact O-N 2.97Å; E101-V104 HydrophobicContact CB-CB 4.39Å; E101-V104 HydrophobicContact CB-CG2 3.95Å; E101-V104 PolarHBondContact O-N 3.46Å; E101-R105 WeakPolarHBondContact O-CG 3.43Å; E101-R105 PolarHBondContact O-N 3.43Å; E101-R105 VanDerWaalsContact O-N 3.08Å
102P89.4Confident91.7Very high69 Ų6947.4 Ų47.445%0.44824%0.236SC..Hα-helixtrans-62.9-33.1-175.725.5-34.5000112.3R105 N106P102-R105 PolarHBondContact O-N 2.93Å; P102-N106 VanDerWaalsContact O-CB 3.24Å; P102-N106 WeakPolarHBondContact O-CB 3.42Å; P102-N106 PolarHBondContact O-N 3.28Å; P102-N106 PolarHBondContact O-ND2 3.48Å
103N89.6Confident91.7Very high101 Ų10147.7 Ų47.754%0.5424%0.237SC..Hα-helixtrans-63.4-44.7178.9-65.4-25.5000111.7L62 E101 K107L62-N103 HydrophobicContact CD2-CB 4.5Å; E101-N103 VanDerWaalsContact C-N 3.26Å; E101-N103 PolarHBondContact O-N 2.97Å; N103-K107 WeakPolarHBondContact O-CB 3.43Å; N103-K107 PolarHBondContact O-N 2.97Å
104V92.6Very high91.7Very high1 Ų146.8 Ų46.81%0.00623%0.234CC..Hα-helixtrans-66.6-44.6177.2-173.10000110.2P58 A61 L62 L65 Q99 E101 N106 K107 I108P58-V104 HydrophobicContact CB-CG2 4.04Å; A61-V104 HydrophobicContact CB-CG1 4.48Å; L62-V104 HydrophobicContact CB-CG2 4.33Å; L65-V104 HydrophobicContact CD1-CG1 3.78Å; Q99-V104 HydrophobicContact CB-CG1 4.42Å; Q99-V104 HydrophobicContact CG-CB 4.45Å; Q99-V104 HydrophobicContact CG-CG1 3.81Å; E101-V104 HydrophobicContact CB-CB 4.39Å; E101-V104 HydrophobicContact CB-CG2 3.95Å; E101-V104 PolarHBondContact O-N 3.46Å; V104-N106 PolarHBondContact O-N 2.8Å; V104-K107 PolarHBondContact O-N 3.06Å; V104-I108 HydrophobicContact CG1-CD1 4.18Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 2.81Å
105R92.6Very high91.7Very high67 Ų6743 Ų4325%0.25321%0.214SC..Hα-helixtrans-58.6-47.6176.4-65.4176.175.680.515.9112.1F96 Q99 E101 P102 I108 L109F96-R105 HydrophobicContact CD2-CB 4.05Å; F96-R105 HydrophobicContact CD2-CG 4.35Å; F96-R105 VanDerWaalsContact CE1-NH2 3.34Å; F96-R105 HydrophobicContact CE2-CB 3.93Å; F96-R105 HydrophobicContact CE2-CG 4.43Å; F96-R105 VanDerWaalsContact O-CZ 3.26Å; F96-R105 PolarHBondContact O-NH1 3.47Å; F96-R105 PolarHBondContact O-NH2 2.96Å; Q99-R105 HydrophobicContact CB-CG 4.15Å; Q99-R105 WeakPolarHBondContact O-CD 3.39Å; Q99-R105 PolarHBondContact O-NH1 2.69Å; E101-R105 WeakPolarHBondContact O-CG 3.43Å; E101-R105 PolarHBondContact O-N 3.43Å; E101-R105 VanDerWaalsContact O-N 3.08Å; P102-R105 PolarHBondContact O-N 2.93Å; R105-I108 PolarHBondContact O-N 3.26Å; R105-L109 PolarHBondContact O-N 2.68Å
106N93.4Very high91.8Very high88 Ų8842.9 Ų42.947%0.47121%0.214SC..Hα-helixtrans-65.5-39179.8-70.1-14.1000111.7P102 V104 L109 Y110P102-N106 VanDerWaalsContact O-CB 3.24Å; P102-N106 WeakPolarHBondContact O-CB 3.42Å; P102-N106 PolarHBondContact O-N 3.28Å; P102-N106 PolarHBondContact O-ND2 3.48Å; V104-N106 PolarHBondContact O-N 2.8Å; N106-L109 PolarHBondContact O-N 3.23Å; N106-Y110 WeakPolarHBondContact O-CB 3.39Å; N106-Y110 PolarHBondContact O-N 3.31Å
107K93.6Very high91.6Very high35 Ų3545.4 Ų45.415%0.15223%0.225CC..Hα-helixtrans-64.2-40.2174.6-167.582.3-176.9-1650111.6L62 L65 E66 E69 N103 V104 Y110 L111L62-K107 HydrophobicContact CD1-CB 3.91Å; L62-K107 HydrophobicContact CD1-CD 4.34Å; L62-K107 HydrophobicContact CD1-CG 4.02Å; L65-K107 HydrophobicContact CB-CG 3.79Å; L65-K107 HydrophobicContact CD1-CB 3.97Å; L65-K107 HydrophobicContact CD1-CG 3.98Å; L65-K107 HydrophobicContact CG-CG 4.49Å; E66-K107 IonicContact OE1-NZ 2.66Å; E66-K107 PolarHBondContact OE1-NZ 2.93Å; E69-K107 WeakPolarHBondContact OE2-CE 3.48Å; E69-K107 IonicContact OE2-NZ 2.66Å; E69-K107 PolarHBondContact OE2-NZ 3Å; N103-K107 WeakPolarHBondContact O-CB 3.43Å; N103-K107 PolarHBondContact O-N 2.97Å; V104-K107 PolarHBondContact O-N 3.06Å; K107-Y110 PolarHBondContact O-N 2.91Å; K107-L111 VanDerWaalsContact O-CG 3.32Å; K107-L111 WeakPolarHBondContact O-CG 3.49Å; K107-L111 PolarHBondContact O-N 2.78Å
108I94.4Very high91.4Very high1 Ų141.3 Ų41.31%0.00521%0.212CC..Hα-helixtrans-62.9-45.4174.4-64.3162.8000111.1L65 L92 L95 F96 V104 R105 L111 I112L65-I108 HydrophobicContact CD1-CD1 4.46Å; L65-I108 HydrophobicContact CD1-CG1 3.77Å; L65-I108 HydrophobicContact CD2-CG1 3.96Å; L92-I108 HydrophobicContact CB-CG2 4.48Å; L92-I108 HydrophobicContact CD2-CG2 4.47Å; L95-I108 HydrophobicContact CB-CD1 4.37Å; L95-I108 HydrophobicContact CD2-CD1 3.87Å; L95-I108 HydrophobicContact CG-CD1 3.86Å; F96-I108 HydrophobicContact CB-CD1 4.26Å; F96-I108 HydrophobicContact CB-CG2 4.11Å; V104-I108 HydrophobicContact CG1-CD1 4.18Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 2.81Å; R105-I108 PolarHBondContact O-N 3.26Å; I108-L111 PolarHBondContact O-N 3.29Å; I108-I112 HydrophobicContact CG2-CD1 3.74Å; I108-I112 HydrophobicContact CG2-CG1 4.4Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 3.02Å
109L94.2Very high91.3Very high6 Ų635.5 Ų35.53%0.03119%0.186CC..Hα-helixtrans-63.3-42.1176.8-68177.1000112.2F96 R105 N106 L111 I112 Q113 L135 H140 F142F96-L109 HydrophobicContact CD2-CD2 4.26Å; F96-L109 HydrophobicContact CD2-CG 4.14Å; F96-L109 HydrophobicContact CE2-CD1 3.65Å; F96-L109 HydrophobicContact CE2-CD2 3.77Å; F96-L109 HydrophobicContact CE2-CG 3.56Å; F96-L109 HydrophobicContact CZ-CD1 4Å; F96-L109 HydrophobicContact CZ-CD2 3.96Å; F96-L109 HydrophobicContact CZ-CG 4.15Å; R105-L109 PolarHBondContact O-N 2.68Å; N106-L109 PolarHBondContact O-N 3.23Å; L109-L111 PolarHBondContact O-N 2.88Å; L109-I112 PolarHBondContact O-N 3.12Å; L109-Q113 WeakPolarHBondContact O-CB 3.21Å; L109-Q113 PolarHBondContact O-N 3.16Å; L109-L135 HydrophobicContact CD2-CD1 4.31Å; L109-H140 HydrophobicContact CD1-CB 4.45Å; L109-H140 HydrophobicContact CD2-CB 4.32Å; L109-F142 HydrophobicContact CB-CD1 3.79Å; L109-F142 HydrophobicContact CB-CE1 3.92Å; L109-F142 HydrophobicContact CD2-CD1 4.19Å; L109-F142 HydrophobicContact CD2-CE1 3.65Å; L109-F142 HydrophobicContact CD2-CE2 4.37Å; L109-F142 HydrophobicContact CD2-CZ 3.76Å; L109-F142 HydrophobicContact CG-CE1 4.36Å; L109-F142 VanDerWaalsContact O-CD1 3.29Å; L109-F142 WeakPolarHBondContact O-CD1 3.45Å; L109-F142 WeakPolarHBondContact O-CE1 3.34Å
110Y94.1Very high91.1Very high42 Ų4240.3 Ų40.317%0.16520%0.203CC..Hα-helixtrans-54.7-50.8172.8169.2-97.8000111.5K73 N106 K107 Q113 A114 P143 D149K73-Y110 PolarHBondContact NZ-OH 3.35Å; K73-Y110 VanDerWaalsContact NZ-OH 3.1Å; N106-Y110 WeakPolarHBondContact O-CB 3.39Å; N106-Y110 PolarHBondContact O-N 3.31Å; K107-Y110 PolarHBondContact O-N 2.91Å; Y110-Q113 PolarHBondContact O-N 2.85Å; Y110-A114 WeakPolarHBondContact O-CB 3.47Å; Y110-A114 PolarHBondContact O-N 2.92Å; Y110-P143 HydrophobicContact CD2-CG 4.49Å; Y110-D149 HydrophobicContact CE2-CB 3.93Å; Y110-D149 VanDerWaalsContact CE2-CG 3.44Å; Y110-D149 WeakPolarHBondContact CE2-OD1 3.2Å; Y110-D149 VanDerWaalsContact OH-CG 3.23Å; Y110-D149 PolarHBondContact OH-OD1 2.92Å
111L94Very high90.7Very high3 Ų338.1 Ų38.12%0.01619%0.187CC..Hα-helixtrans-65-45.7-178.5-67.9176.3000112.4L65 E69 K107 I108 L109 Q113 A114 W115L65-L111 HydrophobicContact CB-CD1 4.15Å; L65-L111 HydrophobicContact CD2-CD1 3.94Å; E69-L111 HydrophobicContact CB-CD2 3.63Å; E69-L111 HydrophobicContact CG-CD2 3.57Å; K107-L111 VanDerWaalsContact O-CG 3.32Å; K107-L111 WeakPolarHBondContact O-CG 3.49Å; K107-L111 PolarHBondContact O-N 2.78Å; I108-L111 PolarHBondContact O-N 3.29Å; L109-L111 PolarHBondContact O-N 2.88Å; L111-Q113 VanDerWaalsContact C-N 3.29Å; L111-Q113 PolarHBondContact O-N 3.29Å; L111-A114 PolarHBondContact O-N 3.11Å; L111-W115 HydrophobicContact CB-CD2 4.35Å; L111-W115 HydrophobicContact CB-CH2 4.12Å; L111-W115 HydrophobicContact CB-CZ2 3.82Å; L111-W115 HydrophobicContact CD1-CH2 4.29Å; L111-W115 HydrophobicContact CD1-CZ2 4.02Å; L111-W115 HydrophobicContact CD2-CZ2 4.03Å; L111-W115 HydrophobicContact CG-CZ2 4.16Å; L111-W115 WeakPolarHBondContact O-CB 3.3Å; L111-W115 PolarHBondContact O-N 3.41Å
112I94.3Very high90.2Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-60.3-40.2177.5-68.3171.8000110.9L92 I108 L109 A116 T131 Y132 L135 F142L92-I112 HydrophobicContact CB-CD1 4.4Å; I108-I112 HydrophobicContact CG2-CD1 3.74Å; I108-I112 HydrophobicContact CG2-CG1 4.4Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 3.02Å; L109-I112 PolarHBondContact O-N 3.12Å; I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 2.9Å; I112-T131 HydrophobicContact CG2-CG2 4.44Å; I112-Y132 HydrophobicContact CG2-CD2 4.49Å; I112-L135 HydrophobicContact CD1-CD1 3.61Å; I112-L135 HydrophobicContact CG2-CD1 4.23Å; I112-F142 HydrophobicContact CG2-CE1 4.49Å
113Q93.4Very high89.8Confident11 Ų1140.6 Ų40.65%0.05120%0.202CC..Hα-helixtrans-67.4-49.6175-176.3165.6-10300112.3L109 Y110 L111 W115 A116 H117 Y132 F142 P143 F145L109-Q113 WeakPolarHBondContact O-CB 3.21Å; L109-Q113 PolarHBondContact O-N 3.16Å; Y110-Q113 PolarHBondContact O-N 2.85Å; L111-Q113 VanDerWaalsContact C-N 3.29Å; L111-Q113 PolarHBondContact O-N 3.29Å; Q113-W115 VanDerWaalsContact C-N 3.32Å; Q113-W115 PolarHBondContact O-N 3.38Å; Q113-A116 PolarHBondContact O-N 3.37Å; Q113-H117 PolarHBondContact O-CD2 2.85Å; Q113-H117 VanDerWaalsContact O-CD2 3.28Å; Q113-H117 PolarHBondContact O-N 3.3Å; Q113-Y132 HydrophobicContact CB-CD2 3.93Å; Q113-Y132 HydrophobicContact CB-CE2 3.66Å; Q113-Y132 HydrophobicContact CG-CD2 4.24Å; Q113-Y132 HydrophobicContact CG-CE2 3.56Å; Q113-Y132 VanDerWaalsContact OE1-CE2 3.26Å; Q113-Y132 PolarHBondContact OE1-OH 2.84Å; Q113-F142 HydrophobicContact CB-CD1 3.82Å; Q113-F142 HydrophobicContact CB-CE1 4.22Å; Q113-P143 PolarHBondContact NE2-O 3.11Å; Q113-F145 HydrophobicContact CG-CD2 4.08Å
114A91.8Very high89.5Confident2 Ų241.8 Ų41.82%0.01720%0.203CC..Hα-helixtrans-57.1-46179.900000111.3Y110 L111 H117 A118 D149Y110-A114 WeakPolarHBondContact O-CB 3.47Å; Y110-A114 PolarHBondContact O-N 2.92Å; L111-A114 PolarHBondContact O-N 3.11Å; A114-H117 PolarHBondContact O-N 2.81Å; A114-A118 VanDerWaalsContact O-CB 3.3Å; A114-A118 WeakPolarHBondContact O-CB 3.07Å; A114-A118 PolarHBondContact O-N 2.95Å; A114-D149 HydrophobicContact CB-CB 4.39Å
115W92.8Very high89.4Confident1 Ų142 Ų420%0.00420%0.203CC..Hα-helixtrans-70.4-39.6178.8-57.6-11.8000112.7L68 V72 V83 M89 L92 L111 Q113 H117 A118 F119 V128 F152L68-W115 HydrophobicContact CD2-CH2 3.76Å; L68-W115 HydrophobicContact CD2-CZ2 4.37Å; L68-W115 HydrophobicContact CG-CH2 3.98Å; L68-W115 HydrophobicContact CG-CZ2 4.14Å; V72-W115 HydrophobicContact CB-CZ2 4.46Å; V72-W115 HydrophobicContact CG2-CZ2 4Å; V83-W115 HydrophobicContact CG1-CD2 4.37Å; V83-W115 HydrophobicContact CG1-CE3 3.81Å; V83-W115 HydrophobicContact CG1-CH2 3.56Å; V83-W115 HydrophobicContact CG1-CZ2 4.14Å; V83-W115 HydrophobicContact CG1-CZ3 3.37Å; M89-W115 HydrophobicContact CE-CE3 4.17Å; M89-W115 HydrophobicContact CE-CZ3 4.13Å; L92-W115 HydrophobicContact CD1-CH2 4.28Å; L92-W115 HydrophobicContact CD1-CZ3 3.68Å; L111-W115 HydrophobicContact CB-CD2 4.35Å; L111-W115 HydrophobicContact CB-CH2 4.12Å; L111-W115 HydrophobicContact CB-CZ2 3.82Å; L111-W115 HydrophobicContact CD1-CH2 4.29Å; L111-W115 HydrophobicContact CD1-CZ2 4.02Å; L111-W115 HydrophobicContact CD2-CZ2 4.03Å; L111-W115 HydrophobicContact CG-CZ2 4.16Å; L111-W115 WeakPolarHBondContact O-CB 3.3Å; L111-W115 PolarHBondContact O-N 3.41Å; Q113-W115 VanDerWaalsContact C-N 3.32Å; Q113-W115 PolarHBondContact O-N 3.38Å; W115-H117 VanDerWaalsContact C-N 3.27Å; W115-H117 PolarHBondContact O-N 3.43Å; W115-A118 PolarHBondContact O-N 2.75Å; W115-F119 HydrophobicContact CB-CD2 3.9Å; W115-F119 HydrophobicContact CB-CE2 3.87Å; W115-F119 HydrophobicContact CG-CE2 4.28Å; W115-F119 WeakPolarHBondContact O-CB 3.29Å; W115-F119 WeakPolarHBondContact O-CD2 3.46Å; W115-F119 PolarHBondContact O-N 3.23Å; W115-V128 HydrophobicContact CB-CG1 3.76Å; W115-F152 HydrophobicContact CB-CZ 4.49Å; W115-F152 AromaticContact CD1-CE1 3.68Å; W115-F152 AromaticContact CD1-CZ 3.64Å; W115-F152 HydrophobicContact CG-CZ 4.27Å
116A91.3Very high89.3Confident5 Ų543.1 Ų43.14%0.04121%0.211CC..Hα-helixtrans-62.1-34.3174.800000112.7I112 Q113 V128 Y132I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 2.9Å; Q113-A116 PolarHBondContact O-N 3.37Å; A116-V128 HydrophobicContact CB-CG1 4.27Å; A116-Y132 HydrophobicContact CB-CD1 4.43Å; A116-Y132 HydrophobicContact CB-CG 3.98Å
117H88.3Confident89.3Confident57 Ų5740.6 Ų40.626%0.26420%0.198SC..Hα-helixtrans-78-36.9174.2-83-105.6000112.9Q113 A114 W115 R120 F145 A150Q113-H117 PolarHBondContact O-CD2 2.85Å; Q113-H117 VanDerWaalsContact O-CD2 3.28Å; Q113-H117 PolarHBondContact O-N 3.3Å; A114-H117 PolarHBondContact O-N 2.81Å; W115-H117 VanDerWaalsContact C-N 3.27Å; W115-H117 PolarHBondContact O-N 3.43Å; H117-R120 WeakPolarHBondContact O-CB 3.46Å; H117-R120 VanDerWaalsContact O-CD 3.24Å; H117-R120 WeakPolarHBondContact O-CD 3.43Å; H117-R120 WeakPolarHBondContact O-CG 3.5Å; H117-R120 PolarHBondContact O-NH1 3.38Å; H117-F145 HydrophobicContact CB-CE2 3.59Å; H117-F145 HydrophobicContact CB-CZ 3.61Å; H117-F145 AromaticContact CE1-CD1 3.97Å; H117-F145 AromaticContact CE1-CE1 3.9Å; H117-F145 AromaticContact CG-CE2 3.53Å; H117-F145 AromaticContact CG-CZ 3.53Å; H117-F145 AromaticContact ND1-CD1 3.97Å; H117-F145 AromaticContact ND1-CE1 3.45Å; H117-F145 WeakPolarHBondContact ND1-CE1 3.34Å; H117-F145 AromaticContact ND1-CE2 3.78Å; H117-F145 AromaticContact ND1-CZ 3.34Å; H117-F145 VanDerWaalsContact ND1-CZ 3.34Å; H117-F145 WeakPolarHBondContact ND1-CZ 3.48Å; H117-A150 HydrophobicContact CB-CB 3.71Å
118A85.8Confident89.3Confident22 Ų2239 Ų3918%0.18219%0.191CC..Hα-helixtrans-71.7-47.7179.600000112.1A114 W115 R120 A150 F152A114-A118 VanDerWaalsContact O-CB 3.3Å; A114-A118 WeakPolarHBondContact O-CB 3.07Å; A114-A118 PolarHBondContact O-N 2.95Å; W115-A118 PolarHBondContact O-N 2.75Å; A118-R120 PolarHBondContact O-N 3.43Å; A118-A150 HydrophobicContact CB-CB 4.13Å; A118-A150 VanDerWaalsContact CB-O 3.26Å; A118-A150 WeakPolarHBondContact CB-O 3.19Å; A118-F152 HydrophobicContact CB-CD1 4.35Å; A118-F152 HydrophobicContact CB-CD2 3.71Å; A118-F152 HydrophobicContact CB-CE1 3.97Å; A118-F152 HydrophobicContact CB-CE2 3.24Å; A118-F152 HydrophobicContact CB-CG 4.26Å; A118-F152 HydrophobicContact CB-CZ 3.41Å; A118-F152 VanDerWaalsContact CB-CZ 3.41Å
119F87.4Confident89.2Confident12 Ų1241.9 Ų41.95%0.05321%0.205CC..G310 helixtrans-78.88.9178.8-61.4-52000114.2H80 A84 W115 N121 E122 Y125 V128 F152H80-F119 HydrophobicContact CB-CE1 3.68Å; H80-F119 HydrophobicContact CB-CZ 3.72Å; H80-F119 AromaticContact CD2-CZ 3.75Å; H80-F119 AromaticContact CG-CE1 3.52Å; H80-F119 AromaticContact CG-CZ 3.62Å; H80-F119 AromaticContact ND1-CE1 3.61Å; A84-F119 HydrophobicContact CB-CD2 4.25Å; A84-F119 HydrophobicContact CB-CE2 4Å; A84-F119 HydrophobicContact CB-CZ 4.41Å; W115-F119 HydrophobicContact CB-CD2 3.9Å; W115-F119 HydrophobicContact CB-CE2 3.87Å; W115-F119 HydrophobicContact CG-CE2 4.28Å; W115-F119 WeakPolarHBondContact O-CB 3.29Å; W115-F119 WeakPolarHBondContact O-CD2 3.46Å; W115-F119 PolarHBondContact O-N 3.23Å; F119-N121 PolarHBondContact O-N 3.18Å; F119-E122 PolarHBondContact O-N 2.87Å; F119-Y125 HydrophobicContact CB-CD2 4.1Å; F119-Y125 HydrophobicContact CB-CG 4.42Å; F119-Y125 AromaticContact CD1-CD2 3.29Å; F119-Y125 HydrophobicContact CD1-CD2 3.29Å; F119-Y125 AromaticContact CD1-CE2 3.78Å; F119-Y125 HydrophobicContact CD1-CE2 3.78Å; F119-Y125 HydrophobicContact CD1-CG 4.16Å; F119-Y125 AromaticContact CE1-CD2 3.73Å; F119-Y125 HydrophobicContact CE1-CD2 3.73Å; F119-Y125 AromaticContact CE1-CE2 3.78Å; F119-Y125 HydrophobicContact CE1-CE2 3.78Å; F119-Y125 AromaticContact CG-CD2 3.76Å; F119-Y125 HydrophobicContact CG-CD2 3.76Å; F119-Y125 HydrophobicContact CG-CG 4.21Å; F119-V128 HydrophobicContact CD2-CG2 4.32Å; F119-F152 AromaticContact CD1-CE2 3.85Å; F119-F152 HydrophobicContact CD1-CE2 3.85Å; F119-F152 HydrophobicContact CD2-CE2 4.39Å; F119-F152 HydrophobicContact CD2-CZ 4.5Å; F119-F152 HydrophobicContact CE1-CD2 4.25Å; F119-F152 AromaticContact CE1-CE2 3.41Å; F119-F152 HydrophobicContact CE1-CE2 3.41Å; F119-F152 VanDerWaalsContact CE1-CE2 3.41Å; F119-F152 HydrophobicContact CE1-CZ 4.2Å; F119-F152 AromaticContact CE2-CE2 3.98Å; F119-F152 HydrophobicContact CE2-CE2 3.98Å; F119-F152 AromaticContact CE2-CZ 3.96Å; F119-F152 HydrophobicContact CE2-CZ 3.96Å; F119-F152 HydrophobicContact CG-CE2 4.33Å; F119-F152 AromaticContact CZ-CE2 3.47Å; F119-F152 HydrophobicContact CZ-CE2 3.47Å; F119-F152 VanDerWaalsContact CZ-CE2 3.47Å; F119-F152 AromaticContact CZ-CZ 3.79Å; F119-F152 HydrophobicContact CZ-CZ 3.79Å
120R83Confident89.2Confident124 Ų12444.2 Ų44.247%0.46822%0.217SC..G310 helixtrans-58.1-21.7-172.271.6-177.1179.5-90.99.1115.8H117 A118H117-R120 WeakPolarHBondContact O-CB 3.46Å; H117-R120 VanDerWaalsContact O-CD 3.24Å; H117-R120 WeakPolarHBondContact O-CD 3.43Å; H117-R120 WeakPolarHBondContact O-CG 3.5Å; H117-R120 PolarHBondContact O-NH1 3.38Å; A118-R120 PolarHBondContact O-N 3.43Å
121N78.3Confident89.2Confident76 Ų7642.4 Ų42.441%0.40621%0.211SC..G310 helixtrans-94.7-11.9178.4-66.1-32.1000113.1F119 P123F119-N121 PolarHBondContact O-N 3.18Å; N121-P123 VanDerWaalsContact O-CD 3.32Å; N121-P123 WeakPolarHBondContact O-CD 3.22Å
122E80.9Confident89.2Confident87 Ų8743.3 Ų43.341%0.40721%0.214SC..  trans-99.1102.4-172.3-77.9-59.3143.600111.3F119 K124 Y125F119-E122 PolarHBondContact O-N 2.87Å; E122-K124 PolarHBondContact O-N 3.25Å; E122-K124 VanDerWaalsContact O-N 3.16Å; E122-Y125 HydrophobicContact CB-CD2 3.53Å; E122-Y125 HydrophobicContact CB-CE2 4.27Å; E122-Y125 HydrophobicContact CB-CG 4.17Å; E122-Y125 HydrophobicContact CG-CD2 3.98Å; E122-Y125 HydrophobicContact CG-CE2 4.29Å; E122-Y125 PolarHBondContact O-N 3.06Å
123P79.8Confident89.2Confident111 Ų11148 Ų4872%0.72124%0.236SC*.G310 helixtrans-64.1-25.6-175.226.2-34.6000112.8N121 Y125 K126N121-P123 VanDerWaalsContact O-CD 3.32Å; N121-P123 WeakPolarHBondContact O-CD 3.22Å; P123-Y125 PolarHBondContact O-N 2.93Å; P123-K126 WeakPolarHBondContact O-CB 3.41Å; P123-K126 PolarHBondContact O-N 3.17Å
124K84.6Confident89.2Confident127 Ų12751.1 Ų51.155%0.55225%0.252SS*.G310 helixtrans-58.2-32.5173-172.1-178.5-177.2-175.10112.6D81 E122D81-K124 VanDerWaalsContact OD1-CE 3.28Å; D81-K124 WeakPolarHBondContact OD1-CE 3.44Å; D81-K124 IonicContact OD1-NZ 3.37Å; D81-K124 PolarHBondContact OD1-NZ 3.1Å; D81-K124 IonicContact OD2-NZ 2.71Å; D81-K124 PolarHBondContact OD2-NZ 3.21Å; E122-K124 PolarHBondContact O-N 3.25Å; E122-K124 VanDerWaalsContact O-N 3.16Å
125Y90.1Very high89.3Confident4 Ų451 Ų512%0.01625%0.251CS..G310 helixtrans-103.48.5-172.9-58.8-31.9000113.3Q77 H80 D81 A84 F119 E122 P123 V127 V128Q77-Y125 PolarHBondContact NE2-OH 2.92Å; Q77-Y125 PolarHBondContact OE1-OH 3.1Å; H80-Y125 HydrophobicContact CB-CE2 3.98Å; H80-Y125 WeakPolarHBondContact CB-OH 3.38Å; D81-Y125 PolarHBondContact N-OH 3.39Å; D81-Y125 VanDerWaalsContact OD1-CE1 3.32Å; D81-Y125 WeakPolarHBondContact OD1-CE1 3.29Å; D81-Y125 PolarHBondContact OD1-OH 2.96Å; A84-Y125 HydrophobicContact CB-CD1 3.37Å; A84-Y125 HydrophobicContact CB-CD2 4.45Å; A84-Y125 HydrophobicContact CB-CE1 3.96Å; A84-Y125 HydrophobicContact CB-CG 3.65Å; F119-Y125 HydrophobicContact CB-CD2 4.1Å; F119-Y125 HydrophobicContact CB-CG 4.42Å; F119-Y125 AromaticContact CD1-CD2 3.29Å; F119-Y125 HydrophobicContact CD1-CD2 3.29Å; F119-Y125 AromaticContact CD1-CE2 3.78Å; F119-Y125 HydrophobicContact CD1-CE2 3.78Å; F119-Y125 HydrophobicContact CD1-CG 4.16Å; F119-Y125 AromaticContact CE1-CD2 3.73Å; F119-Y125 HydrophobicContact CE1-CD2 3.73Å; F119-Y125 AromaticContact CE1-CE2 3.78Å; F119-Y125 HydrophobicContact CE1-CE2 3.78Å; F119-Y125 AromaticContact CG-CD2 3.76Å; F119-Y125 HydrophobicContact CG-CD2 3.76Å; F119-Y125 HydrophobicContact CG-CG 4.21Å; E122-Y125 HydrophobicContact CB-CD2 3.53Å; E122-Y125 HydrophobicContact CB-CE2 4.27Å; E122-Y125 HydrophobicContact CB-CG 4.17Å; E122-Y125 HydrophobicContact CG-CD2 3.98Å; E122-Y125 HydrophobicContact CG-CE2 4.29Å; E122-Y125 PolarHBondContact O-N 3.06Å; P123-Y125 PolarHBondContact O-N 2.93Å; Y125-V127 PolarHBondContact O-N 3.29Å; Y125-V128 WeakPolarHBondContact O-CG2 3.48Å; Y125-V128 PolarHBondContact O-N 2.93Å
126K89.4Confident89.2Confident92 Ų9256.6 Ų56.640%0.428%0.276SS..Hα-helixtrans-51-29.7-179.2177.9166.7172480114.1P123 V128 Q129 D130P123-K126 WeakPolarHBondContact O-CB 3.41Å; P123-K126 PolarHBondContact O-N 3.17Å; K126-V128 PolarHBondContact O-N 3.47Å; K126-V128 VanDerWaalsContact O-N 3.1Å; K126-Q129 WeakPolarHBondContact O-CA 3.42Å; K126-Q129 WeakPolarHBondContact O-CB 3.32Å; K126-Q129 PolarHBondContact O-N 3.41Å; K126-D130 WeakPolarHBondContact CE-OD1 3.24Å; K126-D130 IonicContact NZ-OD1 3.86Å; K126-D130 PolarHBondContact NZ-OD1 2.96Å; K126-D130 IonicContact NZ-OD2 2.68Å; K126-D130 PolarHBondContact O-N 2.91Å
127V94.3Very high89.4Confident35 Ų3562.6 Ų62.621%0.21231%0.311CS..Hα-helixtrans-55.7-27.4176.269.60000113.9A84 K86 M89 Y125 T131A84-V127 VanDerWaalsContact O-CG1 3.23Å; A84-V127 WeakPolarHBondContact O-CG1 3.42Å; K86-V127 HydrophobicContact CB-CG2 4.02Å; K86-V127 HydrophobicContact CG-CG2 4.16Å; M89-V127 HydrophobicContact CB-CG2 4.48Å; M89-V127 HydrophobicContact CG-CG1 4.25Å; M89-V127 HydrophobicContact CG-CG2 4.31Å; Y125-V127 PolarHBondContact O-N 3.29Å; V127-T131 VanDerWaalsContact O-CB 3.3Å; V127-T131 WeakPolarHBondContact O-CB 3.19Å; V127-T131 PolarHBondContact O-N 3.06Å; V127-T131 PolarHBondContact O-OG1 3.38Å
128V93.6Very high89.6Confident0 Ų064 Ų640%032%0.318CS..Hα-helixtrans-72.4-44.1174.6-172.40000110.9A84 M89 W115 A116 F119 Y125 K126 T131 Y132A84-V128 HydrophobicContact CB-CG2 3.63Å; M89-V128 HydrophobicContact CE-CG2 4.07Å; M89-V128 HydrophobicContact CG-CG2 4.33Å; M89-V128 HydrophobicContact SD-CB 4.17Å; M89-V128 HydrophobicContact SD-CG1 4.04Å; M89-V128 HydrophobicContact SD-CG2 3.93Å; W115-V128 HydrophobicContact CB-CG1 3.76Å; A116-V128 HydrophobicContact CB-CG1 4.27Å; F119-V128 HydrophobicContact CD2-CG2 4.32Å; Y125-V128 WeakPolarHBondContact O-CG2 3.48Å; Y125-V128 PolarHBondContact O-N 2.93Å; K126-V128 PolarHBondContact O-N 3.47Å; K126-V128 VanDerWaalsContact O-N 3.1Å; V128-T131 PolarHBondContact O-N 3.35Å; V128-Y132 PolarHBondContact O-N 3.46Å
129Q92Very high89.8Confident63 Ų6365.6 Ų65.629%0.29434%0.337SS..Hα-helixtrans-62.5-43.5174.3-179.8-172.971.300111.4K126 T131 Y132 Q133K126-Q129 WeakPolarHBondContact O-CA 3.42Å; K126-Q129 WeakPolarHBondContact O-CB 3.32Å; K126-Q129 PolarHBondContact O-N 3.41Å; Q129-T131 VanDerWaalsContact C-N 3.31Å; Q129-T131 PolarHBondContact O-N 2.83Å; Q129-Y132 WeakPolarHBondContact O-CB 3.48Å; Q129-Y132 PolarHBondContact O-N 3.44Å; Q129-Q133 WeakPolarHBondContact O-CG 3.42Å; Q129-Q133 PolarHBondContact O-N 3.48Å
130D93.6Very high90.1Very high55 Ų5567.6 Ų67.629%0.29435%0.346SS..Hα-helixtrans-64.3-39177.8-62.7-16.5000110.8K126 Q133 I134K126-D130 WeakPolarHBondContact CE-OD1 3.24Å; K126-D130 IonicContact NZ-OD1 3.86Å; K126-D130 PolarHBondContact NZ-OD1 2.96Å; K126-D130 IonicContact NZ-OD2 2.68Å; K126-D130 PolarHBondContact O-N 2.91Å; D130-Q133 PolarHBondContact O-N 3.4Å; D130-I134 WeakPolarHBondContact O-CD1 3.1Å; D130-I134 VanDerWaalsContact O-CG1 3.25Å; D130-I134 WeakPolarHBondContact O-CG1 3.43Å; D130-I134 PolarHBondContact O-N 2.9Å
131T94.2Very high90.5Very high4 Ų467.8 Ų67.83%0.02536%0.361CS..Hα-helixtrans-66.2-40.9175.7-61.70000112.4M89 K93 I112 V127 V128 Q129 I134 L135M89-T131 HydrophobicContact CB-CG2 4.27Å; M89-T131 WeakPolarHBondContact CB-OG1 3.44Å; M89-T131 HydrophobicContact SD-CG2 4.2Å; K93-T131 HydrophobicContact CD-CG2 3.92Å; K93-T131 HydrophobicContact CG-CG2 3.94Å; I112-T131 HydrophobicContact CG2-CG2 4.44Å; V127-T131 VanDerWaalsContact O-CB 3.3Å; V127-T131 WeakPolarHBondContact O-CB 3.19Å; V127-T131 PolarHBondContact O-N 3.06Å; V127-T131 PolarHBondContact O-OG1 3.38Å; V128-T131 PolarHBondContact O-N 3.35Å; Q129-T131 VanDerWaalsContact C-N 3.31Å; Q129-T131 PolarHBondContact O-N 2.83Å; T131-I134 PolarHBondContact O-N 2.93Å; T131-L135 HydrophobicContact CG2-CD1 4.16Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 3.11Å
132Y94.6Very high91.1Very high21 Ų2165.4 Ų65.48%0.08235%0.347CS..Hα-helixtrans-59.2-45.7171.5172.2-101.4000111.6I112 Q113 A116 V128 Q129 K136 F142I112-Y132 HydrophobicContact CG2-CD2 4.49Å; Q113-Y132 HydrophobicContact CB-CD2 3.93Å; Q113-Y132 HydrophobicContact CB-CE2 3.66Å; Q113-Y132 HydrophobicContact CG-CD2 4.24Å; Q113-Y132 HydrophobicContact CG-CE2 3.56Å; Q113-Y132 VanDerWaalsContact OE1-CE2 3.26Å; Q113-Y132 PolarHBondContact OE1-OH 2.84Å; A116-Y132 HydrophobicContact CB-CD1 4.43Å; A116-Y132 HydrophobicContact CB-CG 3.98Å; V128-Y132 PolarHBondContact O-N 3.46Å; Q129-Y132 WeakPolarHBondContact O-CB 3.48Å; Q129-Y132 PolarHBondContact O-N 3.44Å; Y132-K136 HydrophobicContact CE1-CD 4.01Å; Y132-K136 WeakPolarHBondContact O-CB 3.38Å; Y132-K136 PolarHBondContact O-N 3.33Å; Y132-K136 PolarHBondContact OH-NZ 2.88Å; Y132-F142 AromaticContact CD2-CD1 3.98Å; Y132-F142 HydrophobicContact CD2-CD1 3.98Å; Y132-F142 HydrophobicContact CD2-CD2 4.42Å; Y132-F142 AromaticContact CD2-CE1 3.48Å; Y132-F142 HydrophobicContact CD2-CE1 3.48Å; Y132-F142 VanDerWaalsContact CD2-CE1 3.48Å; Y132-F142 AromaticContact CD2-CE2 3.98Å; Y132-F142 HydrophobicContact CD2-CE2 3.98Å; Y132-F142 HydrophobicContact CD2-CG 4.41Å; Y132-F142 AromaticContact CD2-CZ 3.47Å; Y132-F142 HydrophobicContact CD2-CZ 3.47Å; Y132-F142 VanDerWaalsContact CD2-CZ 3.47Å; Y132-F142 AromaticContact CE2-CD1 3.63Å; Y132-F142 HydrophobicContact CE2-CD1 3.63Å; Y132-F142 AromaticContact CE2-CD2 3.84Å; Y132-F142 HydrophobicContact CE2-CD2 3.84Å; Y132-F142 AromaticContact CE2-CE1 3.63Å; Y132-F142 HydrophobicContact CE2-CE1 3.63Å; Y132-F142 AromaticContact CE2-CE2 3.85Å; Y132-F142 HydrophobicContact CE2-CE2 3.85Å; Y132-F142 AromaticContact CE2-CG 3.72Å; Y132-F142 HydrophobicContact CE2-CG 3.72Å; Y132-F142 AromaticContact CE2-CZ 3.74Å; Y132-F142 HydrophobicContact CE2-CZ 3.74Å; Y132-F142 HydrophobicContact CG-CZ 4.43Å
133Q93.7Very high91.5Very high98 Ų9863.6 Ų63.646%0.45834%0.343SS..Hα-helixtrans-64.2-43.2178-71.1177.912.100112.1Q129 D130 K136 V137Q129-Q133 WeakPolarHBondContact O-CG 3.42Å; Q129-Q133 PolarHBondContact O-N 3.48Å; D130-Q133 PolarHBondContact O-N 3.4Å; Q133-K136 PolarHBondContact O-N 3.03Å; Q133-V137 WeakPolarHBondContact O-CG2 3.32Å; Q133-V137 PolarHBondContact O-N 2.97Å
134I94Very high91.8Very high78 Ų7866.1 Ų66.140%0.435%0.345SS..Hα-helixtrans-58.6-53176.3-71.3162.1000110.7D130 T131 K136 V137 E138D130-I134 WeakPolarHBondContact O-CD1 3.1Å; D130-I134 VanDerWaalsContact O-CG1 3.25Å; D130-I134 WeakPolarHBondContact O-CG1 3.43Å; D130-I134 PolarHBondContact O-N 2.9Å; T131-I134 PolarHBondContact O-N 2.93Å; I134-K136 PolarHBondContact O-N 2.96Å; I134-V137 CarbonylContact O-C 3.53Å; I134-V137 PolarHBondContact O-N 3.49Å; I134-E138 HydrophobicContact CG2-CG 4.34Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.45Å
135L93.1Very high91.8Very high0 Ų063.1 Ų63.10%033%0.332CS..Hα-helixtrans-60.7-33179.9-74.4166000112.5K93 F96 L109 I112 T131 E138 G139 H140 F142K93-L135 HydrophobicContact CG-CD1 4.38Å; K93-L135 HydrophobicContact CG-CD2 4.29Å; K93-L135 HydrophobicContact CG-CG 4.43Å; F96-L135 HydrophobicContact CD1-CD2 4.13Å; F96-L135 HydrophobicContact CE1-CD2 4.18Å; L109-L135 HydrophobicContact CD2-CD1 4.31Å; I112-L135 HydrophobicContact CD1-CD1 3.61Å; I112-L135 HydrophobicContact CG2-CD1 4.23Å; T131-L135 HydrophobicContact CG2-CD1 4.16Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 3.11Å; L135-E138 PolarHBondContact O-N 3.22Å; L135-G139 PolarHBondContact O-N 3.22Å; L135-H140 WeakPolarHBondContact O-CB 3.39Å; L135-H140 PolarHBondContact O-CD2 2.88Å; L135-H140 PolarHBondContact O-N 2.83Å; L135-F142 HydrophobicContact CB-CE2 4.07Å; L135-F142 HydrophobicContact CB-CZ 3.78Å; L135-F142 HydrophobicContact CD1-CZ 4.36Å
136K92.3Very high91.2Very high118 Ų11868.6 Ų68.651%0.51336%0.356SS..Hα-helixtrans-71.5-33.5176.4-165.3168.8-170.5165.40112.4Y132 Q133 I134 G139 F142Y132-K136 HydrophobicContact CE1-CD 4.01Å; Y132-K136 WeakPolarHBondContact O-CB 3.38Å; Y132-K136 PolarHBondContact O-N 3.33Å; Y132-K136 PolarHBondContact OH-NZ 2.88Å; Q133-K136 PolarHBondContact O-N 3.03Å; I134-K136 PolarHBondContact O-N 2.96Å; K136-G139 PolarHBondContact O-N 3.35Å; K136-F142 HydrophobicContact CB-CD2 4.45Å; K136-F142 HydrophobicContact CB-CE2 3.98Å
137V94.8Very high90.5Very high130 Ų13071.9 Ų71.979%0.78837%0.373SS*.Hα-helixtrans-78.6-30.3173.3173.50000111.9Q133 I134 G139Q133-V137 WeakPolarHBondContact O-CG2 3.32Å; Q133-V137 PolarHBondContact O-N 2.97Å; I134-V137 CarbonylContact O-C 3.53Å; I134-V137 PolarHBondContact O-N 3.49Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-G139 VanDerWaalsContact O-N 3.11Å
138E92.6Very high89.4Confident87 Ų8773.8 Ų73.841%0.40739%0.388SS..THydrogen-bonded Turntrans-65.9-1.5166-69-171.9136.700112.8K97 I134 L135 H140K97-E138 VanDerWaalsContact NZ-CD 3.27Å; K97-E138 IonicContact NZ-OE1 2.68Å; K97-E138 PolarHBondContact NZ-OE1 3.44Å; K97-E138 IonicContact NZ-OE2 3.13Å; K97-E138 PolarHBondContact NZ-OE2 3.02Å; I134-E138 HydrophobicContact CG2-CG 4.34Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.45Å; L135-E138 PolarHBondContact O-N 3.22Å; E138-H140 IonicContact OE2-NE2 3.71Å
139G90.6Very high88.5Confident56 Ų5675.1 Ų75.158%0.57739%0.394SS*.THydrogen-bonded Turntrans86.413173.200000114.9L135 K136 V137 V141L135-G139 PolarHBondContact O-N 3.22Å; K136-G139 PolarHBondContact O-N 3.35Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-G139 VanDerWaalsContact O-N 3.11Å; G139-V141 PolarHBondContact O-N 2.83Å
140H92.6Very high87.7Confident53 Ų5372.7 Ų72.725%0.24539%0.385CS..  trans-77.1123.8-179.4-58.8-45.5000111.8F96 L109 L135 E138 F142F96-H140 AromaticContact CE1-CD2 3.58Å; F96-H140 AromaticContact CE1-CE1 3.83Å; F96-H140 AromaticContact CE1-CG 3.81Å; F96-H140 AromaticContact CE1-ND1 3.95Å; F96-H140 AromaticContact CE1-NE2 3.57Å; F96-H140 HydrophobicContact CZ-CB 4.29Å; F96-H140 AromaticContact CZ-CG 3.79Å; F96-H140 AromaticContact CZ-ND1 3.93Å; L109-H140 HydrophobicContact CD1-CB 4.45Å; L109-H140 HydrophobicContact CD2-CB 4.32Å; L135-H140 WeakPolarHBondContact O-CB 3.39Å; L135-H140 PolarHBondContact O-CD2 2.88Å; L135-H140 PolarHBondContact O-N 2.83Å; E138-H140 IonicContact OE2-NE2 3.71Å; H140-F142 VanDerWaalsContact O-CD2 3.32Å; H140-F142 WeakPolarHBondContact O-CD2 3.42Å; H140-F142 PolarHBondContact O-N 3.22Å
141V91.3Very high86.4Confident129 Ų12974.2 Ų74.278%0.78239%0.392SS*.  trans-75.3113.8177.8-177.90000109.1G139G139-V141 PolarHBondContact O-N 2.83Å
142F92.1Very high85.1Confident26 Ų2675.7 Ų75.711%0.11440%0.398CS..PPolyproline II helixtrans-81.1151.7173.5-76-92.4000111.4L109 I112 Q113 Y132 L135 K136 H140L109-F142 HydrophobicContact CB-CD1 3.79Å; L109-F142 HydrophobicContact CB-CE1 3.92Å; L109-F142 HydrophobicContact CD2-CD1 4.19Å; L109-F142 HydrophobicContact CD2-CE1 3.65Å; L109-F142 HydrophobicContact CD2-CE2 4.37Å; L109-F142 HydrophobicContact CD2-CZ 3.76Å; L109-F142 HydrophobicContact CG-CE1 4.36Å; L109-F142 VanDerWaalsContact O-CD1 3.29Å; L109-F142 WeakPolarHBondContact O-CD1 3.45Å; L109-F142 WeakPolarHBondContact O-CE1 3.34Å; I112-F142 HydrophobicContact CG2-CE1 4.49Å; Q113-F142 HydrophobicContact CB-CD1 3.82Å; Q113-F142 HydrophobicContact CB-CE1 4.22Å; Y132-F142 AromaticContact CD2-CD1 3.98Å; Y132-F142 HydrophobicContact CD2-CD1 3.98Å; Y132-F142 HydrophobicContact CD2-CD2 4.42Å; Y132-F142 AromaticContact CD2-CE1 3.48Å; Y132-F142 HydrophobicContact CD2-CE1 3.48Å; Y132-F142 VanDerWaalsContact CD2-CE1 3.48Å; Y132-F142 AromaticContact CD2-CE2 3.98Å; Y132-F142 HydrophobicContact CD2-CE2 3.98Å; Y132-F142 HydrophobicContact CD2-CG 4.41Å; Y132-F142 AromaticContact CD2-CZ 3.47Å; Y132-F142 HydrophobicContact CD2-CZ 3.47Å; Y132-F142 VanDerWaalsContact CD2-CZ 3.47Å; Y132-F142 AromaticContact CE2-CD1 3.63Å; Y132-F142 HydrophobicContact CE2-CD1 3.63Å; Y132-F142 AromaticContact CE2-CD2 3.84Å; Y132-F142 HydrophobicContact CE2-CD2 3.84Å; Y132-F142 AromaticContact CE2-CE1 3.63Å; Y132-F142 HydrophobicContact CE2-CE1 3.63Å; Y132-F142 AromaticContact CE2-CE2 3.85Å; Y132-F142 HydrophobicContact CE2-CE2 3.85Å; Y132-F142 AromaticContact CE2-CG 3.72Å; Y132-F142 HydrophobicContact CE2-CG 3.72Å; Y132-F142 AromaticContact CE2-CZ 3.74Å; Y132-F142 HydrophobicContact CE2-CZ 3.74Å; Y132-F142 HydrophobicContact CG-CZ 4.43Å; L135-F142 HydrophobicContact CB-CE2 4.07Å; L135-F142 HydrophobicContact CB-CZ 3.78Å; L135-F142 HydrophobicContact CD1-CZ 4.36Å; K136-F142 HydrophobicContact CB-CD2 4.45Å; K136-F142 HydrophobicContact CB-CE2 3.98Å; H140-F142 VanDerWaalsContact O-CD2 3.32Å; H140-F142 WeakPolarHBondContact O-CD2 3.42Å; H140-F142 PolarHBondContact O-N 3.22Å
143P89.1Confident83.1Confident49 Ų4977.4 Ų77.432%0.31842%0.417SS..PPolyproline II helixtrans-64.5162.5172.128.6-34.9000111.6Y110 Q113 F145Y110-P143 HydrophobicContact CD2-CG 4.49Å; Q113-P143 PolarHBondContact NE2-O 3.11Å; P143-F145 PolarHBondContact O-N 3.34Å
144E86.3Confident81.2Confident164 Ų16475 Ų7577%0.76641%0.414SS*.PPolyproline II helixtrans-55.1127.5173.9-176.4177.2-142.200110.8
145F84.7Confident79.6Confident64 Ų6476.4 Ų76.428%0.28142%0.418SS..PPolyproline II helixtrans-84.6125.7-179.9176.3-106.5000111Q113 H117 P143 E147 A150Q113-F145 HydrophobicContact CG-CD2 4.08Å; H117-F145 HydrophobicContact CB-CE2 3.59Å; H117-F145 HydrophobicContact CB-CZ 3.61Å; H117-F145 AromaticContact CE1-CD1 3.97Å; H117-F145 AromaticContact CE1-CE1 3.9Å; H117-F145 AromaticContact CG-CE2 3.53Å; H117-F145 AromaticContact CG-CZ 3.53Å; H117-F145 AromaticContact ND1-CD1 3.97Å; H117-F145 AromaticContact ND1-CE1 3.45Å; H117-F145 WeakPolarHBondContact ND1-CE1 3.34Å; H117-F145 AromaticContact ND1-CE2 3.78Å; H117-F145 AromaticContact ND1-CZ 3.34Å; H117-F145 VanDerWaalsContact ND1-CZ 3.34Å; H117-F145 WeakPolarHBondContact ND1-CZ 3.48Å; P143-F145 PolarHBondContact O-N 3.34Å; F145-E147 HydrophobicContact CE1-CG 4.06Å; F145-A150 HydrophobicContact CE2-CB 3.85Å; F145-A150 HydrophobicContact CZ-CB 3.75Å
146K77.4Confident78.3Confident119 Ų11985.9 Ų85.952%0.51745%0.454SS..  trans-110.7136170-51.8168.6-174.9171.80108.4S148 D149K146-S148 PolarHBondContact O-N 3.28Å; K146-S148 VanDerWaalsContact O-N 3.16Å; K146-D149 WeakPolarHBondContact CB-OD2 3.43Å; K146-D149 WeakPolarHBondContact O-CB 3.4Å; K146-D149 PolarHBondContact O-N 2.96Å
147E73.1Confident77.6Confident161 Ų16182 Ų8275%0.75244%0.444SS*.G310 helixtrans-60-31.9-176.8-60.3-171.7137.200112.1F145 D149 A150 M151F145-E147 HydrophobicContact CE1-CG 4.06Å; E147-D149 PolarHBondContact O-N 3.02Å; E147-A150 PolarHBondContact O-N 3.49Å; E147-M151 PolarHBondContact O-N 3.45Å
148S72.2Confident77.1Confident75 Ų7578 Ų7852%0.52442%0.421SS..G310 helixtrans-58.4-27.3172.456.70000114.7K146 A150 M151K146-S148 PolarHBondContact O-N 3.28Å; K146-S148 VanDerWaalsContact O-N 3.16Å; S148-A150 VanDerWaalsContact C-N 3.32Å; S148-M151 PolarHBondContact O-N 3.11Å
149D74.6Confident76.8Confident27 Ų2778.8 Ų78.814%0.14443%0.428CS..G310 helixtrans-73.2-28.6179.5-66.5-47.9000112.1Y110 A114 K146 E147Y110-D149 HydrophobicContact CE2-CB 3.93Å; Y110-D149 VanDerWaalsContact CE2-CG 3.44Å; Y110-D149 WeakPolarHBondContact CE2-OD1 3.2Å; Y110-D149 VanDerWaalsContact OH-CG 3.23Å; Y110-D149 PolarHBondContact OH-OD1 2.92Å; A114-D149 HydrophobicContact CB-CB 4.39Å; K146-D149 WeakPolarHBondContact CB-OD2 3.43Å; K146-D149 WeakPolarHBondContact O-CB 3.4Å; K146-D149 PolarHBondContact O-N 2.96Å; E147-D149 PolarHBondContact O-N 3.02Å
150A74.3Confident77Confident12 Ų1283.3 Ų83.310%0.09943%0.428CS..G310 helixtrans-90.6-0175.200000113.4H117 A118 F145 E147 S148 F152H117-A150 HydrophobicContact CB-CB 3.71Å; A118-A150 HydrophobicContact CB-CB 4.13Å; A118-A150 VanDerWaalsContact CB-O 3.26Å; A118-A150 WeakPolarHBondContact CB-O 3.19Å; F145-A150 HydrophobicContact CE2-CB 3.85Å; F145-A150 HydrophobicContact CZ-CB 3.75Å; E147-A150 PolarHBondContact O-N 3.49Å; S148-A150 VanDerWaalsContact C-N 3.32Å; A150-F152 PolarHBondContact O-N 3.03Å
151M66.9Low77Confident88 Ų8883.6 Ų83.643%0.43343%0.433SS..  trans-81.990.2167.6-64.2177.582.300108.5E147 S148E147-M151 PolarHBondContact O-N 3.45Å; S148-M151 PolarHBondContact O-N 3.11Å
152F66.7Low77.1Confident34 Ų3482.2 Ų82.215%0.14942%0.421CS..  trans-57.9158.1157.8-60.4-32.8000109.7V72 K73 H80 W115 A118 F119 A150 A154V72-F152 HydrophobicContact CG1-CD1 4.38Å; V72-F152 HydrophobicContact CG1-CE1 3.66Å; V72-F152 HydrophobicContact CG1-CE2 4.46Å; V72-F152 HydrophobicContact CG1-CZ 3.7Å; K73-F152 HydrophobicContact CG-CD1 3.95Å; K73-F152 HydrophobicContact CG-CE1 4.46Å; H80-F152 AromaticContact CE1-CD2 3.8Å; H80-F152 AromaticContact NE2-CD2 3.92Å; W115-F152 HydrophobicContact CB-CZ 4.49Å; W115-F152 AromaticContact CD1-CE1 3.68Å; W115-F152 AromaticContact CD1-CZ 3.64Å; W115-F152 HydrophobicContact CG-CZ 4.27Å; A118-F152 HydrophobicContact CB-CD1 4.35Å; A118-F152 HydrophobicContact CB-CD2 3.71Å; A118-F152 HydrophobicContact CB-CE1 3.97Å; A118-F152 HydrophobicContact CB-CE2 3.24Å; A118-F152 HydrophobicContact CB-CG 4.26Å; A118-F152 HydrophobicContact CB-CZ 3.41Å; A118-F152 VanDerWaalsContact CB-CZ 3.41Å; F119-F152 AromaticContact CD1-CE2 3.85Å; F119-F152 HydrophobicContact CD1-CE2 3.85Å; F119-F152 HydrophobicContact CD2-CE2 4.39Å; F119-F152 HydrophobicContact CD2-CZ 4.5Å; F119-F152 HydrophobicContact CE1-CD2 4.25Å; F119-F152 AromaticContact CE1-CE2 3.41Å; F119-F152 HydrophobicContact CE1-CE2 3.41Å; F119-F152 VanDerWaalsContact CE1-CE2 3.41Å; F119-F152 HydrophobicContact CE1-CZ 4.2Å; F119-F152 AromaticContact CE2-CE2 3.98Å; F119-F152 HydrophobicContact CE2-CE2 3.98Å; F119-F152 AromaticContact CE2-CZ 3.96Å; F119-F152 HydrophobicContact CE2-CZ 3.96Å; F119-F152 HydrophobicContact CG-CE2 4.33Å; F119-F152 AromaticContact CZ-CE2 3.47Å; F119-F152 HydrophobicContact CZ-CE2 3.47Å; F119-F152 VanDerWaalsContact CZ-CE2 3.47Å; F119-F152 AromaticContact CZ-CZ 3.79Å; F119-F152 HydrophobicContact CZ-CZ 3.79Å; A150-F152 PolarHBondContact O-N 3.03Å; F152-A154 PolarHBondContact O-N 2.72Å
153A52.4Low77.2Confident58 Ų5882.7 Ų82.748%0.47943%0.43SS..SBendtrans-52.3122.8176.100000108.6K73 E155K73-A153 WeakPolarHBondContact O-CB 3.18Å; K73-A153 PolarHBondContact O-N 2.99Å; A153-E155 PolarHBondContact O-N 3.39Å
154A53.9Low77.5Confident48 Ų4885.8 Ų85.840%0.39744%0.44SS..  trans-39.9130.117800000110.7F152 R156 F203F152-A154 PolarHBondContact O-N 2.72Å; A154-R156 PolarHBondContact O-N 2.84Å; A154-R156 VanDerWaalsContact O-N 3.09Å; A154-F203 WeakPolarHBondContact CB-O 3.33Å
155E60.1Low78Confident107 Ų10780.6 Ų80.650%0.542%0.416SS..PPolyproline II helixtrans-49.6126164.7-72.1-178.9152.900106.4A153 A157 K202 F203A153-E155 PolarHBondContact O-N 3.39Å; E155-A157 PolarHBondContact O-N 2.76Å; E155-K202 PolarHBondContact N-O 2.93Å; E155-K202 WeakPolarHBondContact OE2-CD 3.43Å; E155-K202 WeakPolarHBondContact OE2-CE 3.3Å; E155-K202 IonicContact OE2-NZ 3.78Å; E155-K202 PolarHBondContact OE2-NZ 3.16Å; E155-F203 HydrophobicContact CB-CD1 3.73Å; E155-F203 HydrophobicContact CB-CE1 3.73Å; E155-F203 WeakPolarHBondContact O-CD1 3.42Å; E155-F203 WeakPolarHBondContact OE2-CE1 3.4Å
156R66.9Low78.6Confident198 Ų19877.6 Ų77.675%0.74740%0.403SS*.PPolyproline II helixtrans-58.2117.4-175.9179179169.681.86.1107.8A154 D159A154-R156 PolarHBondContact O-N 2.84Å; A154-R156 VanDerWaalsContact O-N 3.09Å; R156-D159 IonicContact CZ-OD1 3.97Å; R156-D159 IonicContact NE-OD1 3.32Å; R156-D159 PolarHBondContact NE-OD1 3.41Å; R156-D159 IonicContact NE-OD2 3.38Å; R156-D159 IonicContact NH2-OD1 2.63Å; R156-D159 PolarHBondContact NH2-OD1 3.01Å
157A76.2Confident79.6Confident37 Ų3775.7 Ų75.731%0.30640%0.396SS..PPolyproline II helixtrans-53.4130.4179.200000109.1E155 D159 F203E155-A157 PolarHBondContact O-N 2.76Å; A157-D159 PolarHBondContact O-N 2.78Å; A157-F203 HydrophobicContact CB-CB 4.27Å; A157-F203 HydrophobicContact CB-CD2 3.77Å; A157-F203 HydrophobicContact CB-CE2 4.3Å; A157-F203 HydrophobicContact CB-CG 4.05Å
158P84.8Confident80.7Confident47 Ų4773.4 Ų73.431%0.30538%0.38SS..PPolyproline II helixtrans-53.5132.3-174.2-29.834.8000112F203P158-F203 HydrophobicContact CG-CE2 4.29Å; P158-F203 HydrophobicContact CG-CZ 4.04Å
159D86.2Confident81.8Confident103 Ų10372.9 Ų72.955%0.55138%0.376SS*.PPolyproline II helixtrans-59147.1178.6-59.4-69000110.6R156 A157 V161R156-D159 IonicContact CZ-OD1 3.97Å; R156-D159 IonicContact NE-OD1 3.32Å; R156-D159 PolarHBondContact NE-OD1 3.41Å; R156-D159 IonicContact NE-OD2 3.38Å; R156-D159 IonicContact NH2-OD1 2.63Å; R156-D159 PolarHBondContact NH2-OD1 3.01Å; A157-D159 PolarHBondContact O-N 2.78Å; D159-V161 PolarHBondContact O-N 2.87Å
160W95.1Very high82.9Confident150 Ų15077.9 Ų77.957%0.56839%0.393SS*.PPolyproline II helixtrans-80.7118.4-168.1-70.96.6000111.1H181W160-H181 HydrophobicContact CD2-CB 3.78Å; W160-H181 AromaticContact CD2-CG 3.76Å; W160-H181 HydrophobicContact CE3-CB 4.09Å; W160-H181 AromaticContact CE3-CG 3.78Å; W160-H181 AromaticContact CE3-ND1 3.65Å; W160-H181 HydrophobicContact CG-CB 4.01Å; W160-H181 AromaticContact CG-CD2 3.92Å; W160-H181 AromaticContact CG-CG 3.86Å
161V92.7Very high84Confident60 Ų6080.1 Ų80.136%0.36441%0.405SS..PPolyproline II helixtrans-77134.6175.7-178.80000108.9D159 H181 G186D159-V161 PolarHBondContact O-N 2.87Å; V161-H181 PolarHBondContact O-CD2 2.9Å; V161-H181 VanDerWaalsContact O-CD2 3.26Å; V161-H181 PolarHBondContact O-NE2 3.35Å; V161-G186 PolarHBondContact N-O 3.38Å
162D94.4Very high85.4Confident100 Ų10081.1 Ų81.154%0.53541%0.409SS..PPolyproline II helixtrans-103.5147.4165.9-160.719.9000111.8K179 I188D162-K179 WeakPolarHBondContact OD1-CD 3.45Å; D162-K179 VanDerWaalsContact OD1-CE 3.29Å; D162-K179 WeakPolarHBondContact OD1-CE 3.3Å; D162-K179 IonicContact OD1-NZ 3.26Å; D162-K179 PolarHBondContact OD1-NZ 2.72Å; D162-K179 IonicContact OD2-NZ 3.66Å; D162-K179 PolarHBondContact OD2-NZ 3.34Å; D162-I188 WeakPolarHBondContact OD1-CD1 3.37Å
163A93.4Very high86.9Confident36 Ų3680.8 Ų80.830%0.29841%0.407SS..  trans-162.1158.9176.100000110E165 F173 K179 I188A163-E165 VanDerWaalsContact C-N 3.27Å; A163-E165 PolarHBondContact O-N 3.04Å; A163-F173 WeakPolarHBondContact O-CD2 3.33Å; A163-F173 WeakPolarHBondContact O-CE2 3.26Å; A163-K179 WeakPolarHBondContact O-CE 3.2Å; A163-K179 PolarHBondContact O-NZ 3.47Å; A163-I188 HydrophobicContact CB-CG2 3.9Å
164E96Very high88.8Confident114 Ų11480.1 Ų80.153%0.53341%0.406SS..SBendtrans-81.6-1.3179.7-59.9-44110.400114.5Q172 F173 K179E164-Q172 CarbonylContact O-C 3.59Å; E164-Q172 WeakPolarHBondContact O-CA 3.47Å; E164-Q172 PolarHBondContact O-OE1 3.21Å; E164-F173 VanDerWaalsContact C-CD2 3.42Å; E164-F173 WeakPolarHBondContact O-CD2 3.25Å; E164-F173 PolarHBondContact O-N 2.94Å; E164-K179 IonicContact OE1-NZ 2.77Å; E164-K179 PolarHBondContact OE1-NZ 3.1Å; E164-K179 IonicContact OE2-NZ 3.04Å
165E96.7Very high90.6Very high55 Ų5584 Ų8426%0.25743%0.425SS..BIsolated β-bridgetrans-137.2154.1177.456.5164.8-143.100114.2A163 H167 R170 V171 Q172 F173A163-E165 VanDerWaalsContact C-N 3.27Å; A163-E165 PolarHBondContact O-N 3.04Å; E165-H167 PolarHBondContact O-N 2.97Å; E165-R170 WeakPolarHBondContact OE1-CD 3.37Å; E165-R170 IonicContact OE1-CZ 2.75Å; E165-R170 IonicContact OE1-NE 2.66Å; E165-R170 IonicContact OE1-NH1 3.74Å; E165-R170 PolarHBondContact OE1-NH1 2.9Å; E165-V171 WeakPolarHBondContact CA-O 3.28Å; E165-Q172 PolarHBondContact OE2-NE2 2.96Å; E165-F173 VanDerWaalsContact O-CE2 3.29Å; E165-F173 WeakPolarHBondContact O-CE2 3.39Å
166C97.4Very high92.1Very high0 Ų087.5 Ų87.50%044%0.443CS..  trans-65.9121.7175174.20000111.6R168 C169 R170 V171 F173 F189 C190C166-R168 PolarHBondContact O-N 3.29Å; C166-C169 PolarHBondContact O-N 3.3Å; C166-R170 VanDerWaalsContact O-CA 3.31Å; C166-R170 WeakPolarHBondContact O-CA 3.38Å; C166-R170 PolarHBondContact O-N 2.64Å; C166-V171 HydrophobicContact CB-CG1 3.84Å; C166-V171 PolarHBondContact N-O 3.34Å; C166-F173 HydrophobicContact CB-CE1 4.5Å; C166-F173 HydrophobicContact CB-CZ 4.16Å; C166-F189 VanDerWaalsContact SG-CA 3.58Å; C166-C190 HydrophobicContact CB-CB 4.2Å; C166-C190 PolarHBondContact SG-N 2.93Å
167H97.4Very high93.4Very high80 Ų8080.3 Ų80.337%0.3742%0.422SS..THydrogen-bonded Turntrans-52.6-28.2-179.3-175107000114.5E165 R170 Q187 I188 F189E165-H167 PolarHBondContact O-N 2.97Å; H167-R170 VanDerWaalsContact O-CZ 3.31Å; H167-R170 PolarHBondContact O-NE 2.68Å; H167-R170 PolarHBondContact O-NH2 2.96Å; H167-Q187 HydrophobicContact CB-CB 4.43Å; H167-Q187 PolarHBondContact CE1-OE1 3.19Å; H167-Q187 PolarHBondContact ND1-OE1 3.3Å; H167-I188 WeakPolarHBondContact CB-O 3.48Å; H167-I188 PolarHBondContact N-O 3.28Å; H167-F189 HydrophobicContact CB-CD1 4.28Å; H167-F189 HydrophobicContact CB-CE1 3.87Å; H167-F189 HydrophobicContact CB-CZ 4.21Å
168R95.7Very high94.3Very high112 Ų11287.2 Ų87.242%0.42344%0.44SS..THydrogen-bonded Turntrans-93.1-54.4179.2-173.1164.5174.6-127.315.8114.1C166 F189 C193 E213C166-R168 PolarHBondContact O-N 3.29Å; R168-F189 HydrophobicContact CB-CD1 3.96Å; R168-F189 HydrophobicContact CB-CE1 3.91Å; R168-C193 HydrophobicContact CB-CB 4.13Å; R168-E213 IonicContact CZ-OE1 3.66Å; R168-E213 IonicContact CZ-OE2 2.65Å; R168-E213 IonicContact NH1-OE1 3.2Å; R168-E213 PolarHBondContact NH1-OE1 3.43Å; R168-E213 IonicContact NH1-OE2 3.87Å; R168-E213 PolarHBondContact NH1-OE2 3.36Å; R168-E213 IonicContact NH2-OE2 2.65Å; R168-E213 PolarHBondContact NH2-OE2 3Å
169C96.5Very high94.8Very high65 Ų6588.3 Ų88.344%0.43944%0.439SS..THydrogen-bonded Turntrans-106.93.9-172.368.10000115.1C166 V171 C190C166-C169 PolarHBondContact O-N 3.3Å; C169-V171 PolarHBondContact O-N 3.22Å; C169-C190 VanDerWaalsContact SG-SG 3.61Å
170R97Very high95.3Very high132 Ų13286 Ų8650%0.49843%0.426SS..  trans57.216173.1-51.1-68156.9166.9-3.3115.4E165 C166 H167 Q172E165-R170 WeakPolarHBondContact OE1-CD 3.37Å; E165-R170 IonicContact OE1-CZ 2.75Å; E165-R170 IonicContact OE1-NE 2.66Å; E165-R170 IonicContact OE1-NH1 3.74Å; E165-R170 PolarHBondContact OE1-NH1 2.9Å; C166-R170 VanDerWaalsContact O-CA 3.31Å; C166-R170 WeakPolarHBondContact O-CA 3.38Å; C166-R170 PolarHBondContact O-N 2.64Å; H167-R170 VanDerWaalsContact O-CZ 3.31Å; H167-R170 PolarHBondContact O-NE 2.68Å; H167-R170 PolarHBondContact O-NH2 2.96Å; R170-Q172 PolarHBondContact O-N 2.92Å
171V96.9Very high95.4Very high58 Ų5880.2 Ų80.235%0.35241%0.405SS..PPolyproline II helixtrans-66.1128.2168.370.90000109E165 C166 C169 T177 C190E165-V171 WeakPolarHBondContact CA-O 3.28Å; C166-V171 HydrophobicContact CB-CG1 3.84Å; C166-V171 PolarHBondContact N-O 3.34Å; C169-V171 PolarHBondContact O-N 3.22Å; V171-T177 HydrophobicContact CG1-CG2 4.06Å; V171-T177 HydrophobicContact CG2-CG2 4.34Å; V171-C190 HydrophobicContact CG1-CB 3.83Å
172Q97.1Very high95.6Very high110 Ų11077.4 Ų77.451%0.51439%0.387SS..BIsolated β-bridgetrans-65.3142.7175.3-58-64-50.800110.1E164 E165 R170E164-Q172 CarbonylContact O-C 3.59Å; E164-Q172 WeakPolarHBondContact O-CA 3.47Å; E164-Q172 PolarHBondContact O-OE1 3.21Å; E165-Q172 PolarHBondContact OE2-NE2 2.96Å; R170-Q172 PolarHBondContact O-N 2.92Å
173F97.6Very high95.6Very high26 Ų2676.2 Ų76.211%0.11438%0.375CS..PPolyproline II helixtrans-79.8163.9173.9-64.4-63.9000111.4A163 E164 E165 C166 T177 K179 I188 F189 C190A163-F173 WeakPolarHBondContact O-CD2 3.33Å; A163-F173 WeakPolarHBondContact O-CE2 3.26Å; E164-F173 VanDerWaalsContact C-CD2 3.42Å; E164-F173 WeakPolarHBondContact O-CD2 3.25Å; E164-F173 PolarHBondContact O-N 2.94Å; E165-F173 VanDerWaalsContact O-CE2 3.29Å; E165-F173 WeakPolarHBondContact O-CE2 3.39Å; C166-F173 HydrophobicContact CB-CE1 4.5Å; C166-F173 HydrophobicContact CB-CZ 4.16Å; F173-T177 WeakPolarHBondContact CA-O 3.14Å; F173-T177 HydrophobicContact CD1-CG2 4.13Å; F173-T177 WeakPolarHBondContact CD1-O 3.49Å; F173-K179 HydrophobicContact CB-CG 3.94Å; F173-K179 HydrophobicContact CD1-CB 4.47Å; F173-K179 HydrophobicContact CD1-CG 3.83Å; F173-K179 HydrophobicContact CD2-CD 4.27Å; F173-K179 HydrophobicContact CD2-CG 3.56Å; F173-K179 HydrophobicContact CE1-CG 4.18Å; F173-K179 HydrophobicContact CE2-CG 3.93Å; F173-K179 HydrophobicContact CG-CD 4.48Å; F173-K179 HydrophobicContact CG-CG 3.51Å; F173-K179 HydrophobicContact CZ-CG 4.24Å; F173-I188 HydrophobicContact CE2-CD1 3.88Å; F173-I188 HydrophobicContact CE2-CG1 3.9Å; F173-I188 HydrophobicContact CE2-CG2 4.14Å; F173-I188 HydrophobicContact CZ-CD1 4.28Å; F173-I188 HydrophobicContact CZ-CG1 3.85Å; F173-F189 WeakPolarHBondContact CE1-O 3.34Å; F173-C190 HydrophobicContact CE1-CB 4.31Å
174G91.9Very high95.5Very high45 Ų4575.3 Ų75.346%0.46437%0.368SS..SBendtrans170.2-167.1179.400000111.9M176 T177G174-M176 VanDerWaalsContact C-N 3.26Å; G174-M176 PolarHBondContact O-N 3.03Å; G174-M176 VanDerWaalsContact O-N 3.17Å; G174-T177 PolarHBondContact N-O 3.4Å; G174-T177 CarbonylContact O-C 3.56Å; G174-T177 VanDerWaalsContact O-C 3.32Å; G174-T177 PolarHBondContact O-N 2.98Å; G174-T177 VanDerWaalsContact O-N 3.16Å
175V91.8Very high95.4Very high129 Ų12971.8 Ų71.878%0.78236%0.355SS*.SBendtrans-53.3-42.2-174.1-176.10000112.7
176M92.1Very high95.3Very high180 Ų18069.2 Ų69.289%0.88734%0.344SS*.SBendtrans-90.3-27.9-180-56.2-61.8-91.300113.4G174G174-M176 VanDerWaalsContact C-N 3.26Å; G174-M176 PolarHBondContact O-N 3.03Å; G174-M176 VanDerWaalsContact O-N 3.17Å
177T93.8Very high95.2Very high48 Ų4871.8 Ų71.829%0.29436%0.356SS..SBendtrans-108.790.9-177.6-53.90000109.3V171 F173 G174 C190V171-T177 HydrophobicContact CG1-CG2 4.06Å; V171-T177 HydrophobicContact CG2-CG2 4.34Å; F173-T177 WeakPolarHBondContact CA-O 3.14Å; F173-T177 HydrophobicContact CD1-CG2 4.13Å; F173-T177 WeakPolarHBondContact CD1-O 3.49Å; G174-T177 PolarHBondContact N-O 3.4Å; G174-T177 CarbonylContact O-C 3.56Å; G174-T177 VanDerWaalsContact O-C 3.32Å; G174-T177 PolarHBondContact O-N 2.98Å; G174-T177 VanDerWaalsContact O-N 3.16Å; T177-C190 HydrophobicContact CG2-CB 4.2Å
178R95.1Very high95.3Very high182 Ų18268 Ų6869%0.68734%0.339SS*.  trans-79.8149.3-174.7-67.5-177176.8167-2113.4H180R178-H180 PolarHBondContact O-CD2 3.31Å; R178-H180 VanDerWaalsContact O-CD2 3.25Å
179K96.5Very high95.4Very high69 Ų6963.1 Ų63.130%0.332%0.32SS..  trans-70.8134.5175.7-75.4-180172.2-166.10111.2D162 A163 E164 F173 I188D162-K179 WeakPolarHBondContact OD1-CD 3.45Å; D162-K179 VanDerWaalsContact OD1-CE 3.29Å; D162-K179 WeakPolarHBondContact OD1-CE 3.3Å; D162-K179 IonicContact OD1-NZ 3.26Å; D162-K179 PolarHBondContact OD1-NZ 2.72Å; D162-K179 IonicContact OD2-NZ 3.66Å; D162-K179 PolarHBondContact OD2-NZ 3.34Å; A163-K179 WeakPolarHBondContact O-CE 3.2Å; A163-K179 PolarHBondContact O-NZ 3.47Å; E164-K179 IonicContact OE1-NZ 2.77Å; E164-K179 PolarHBondContact OE1-NZ 3.1Å; E164-K179 IonicContact OE2-NZ 3.04Å; F173-K179 HydrophobicContact CB-CG 3.94Å; F173-K179 HydrophobicContact CD1-CB 4.47Å; F173-K179 HydrophobicContact CD1-CG 3.83Å; F173-K179 HydrophobicContact CD2-CD 4.27Å; F173-K179 HydrophobicContact CD2-CG 3.56Å; F173-K179 HydrophobicContact CE1-CG 4.18Å; F173-K179 HydrophobicContact CE2-CG 3.93Å; F173-K179 HydrophobicContact CG-CD 4.48Å; F173-K179 HydrophobicContact CG-CG 3.51Å; F173-K179 HydrophobicContact CZ-CG 4.24Å; K179-I188 HydrophobicContact CB-CD1 3.89Å; K179-I188 HydrophobicContact CB-CG1 4.39Å; K179-I188 HydrophobicContact CD-CD1 3.85Å; K179-I188 HydrophobicContact CG-CD1 3.73Å
180H97Very high95.4Very high56 Ų5660.4 Ų60.426%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-145.5131.4174.8-53.9-75.8000113R178 F189 G191R178-H180 PolarHBondContact O-CD2 3.31Å; R178-H180 VanDerWaalsContact O-CD2 3.25Å; H180-F189 WeakPolarHBondContact CB-O 3.38Å; H180-F189 PolarHBondContact N-O 3.47Å; H180-F189 PolarHBondContact O-N 3.23Å; H180-G191 PolarHBondContact CD2-N 3.08Å; H180-G191 VanDerWaalsContact CD2-N 3.33Å
181H97.3Very high95.4Very high28 Ų2855.6 Ų55.613%0.1329%0.294CS..EExtended strand (participates in β ladder)trans-93.4141.7-179.5-60.282.1000114.5W160 V161 R183 G186 Q187W160-H181 HydrophobicContact CD2-CB 3.78Å; W160-H181 AromaticContact CD2-CG 3.76Å; W160-H181 HydrophobicContact CE3-CB 4.09Å; W160-H181 AromaticContact CE3-CG 3.78Å; W160-H181 AromaticContact CE3-ND1 3.65Å; W160-H181 HydrophobicContact CG-CB 4.01Å; W160-H181 AromaticContact CG-CD2 3.92Å; W160-H181 AromaticContact CG-CG 3.86Å; V161-H181 PolarHBondContact O-CD2 2.9Å; V161-H181 VanDerWaalsContact O-CD2 3.26Å; V161-H181 PolarHBondContact O-NE2 3.35Å; H181-R183 PolarHBondContact O-NH1 3.07Å; H181-G186 PolarHBondContact CD2-O 3.32Å; H181-Q187 WeakPolarHBondContact CA-O 3.45Å
182C97Very high95.3Very high0 Ų061.4 Ų61.40%031%0.314CS..  trans-80.8121.1167.8176.20000110.3A184 C185 G186 Q187 F189 V211 C212C182-A184 PolarHBondContact O-N 3.46Å; C182-A184 PolarHBondContact SG-N 3.05Å; C182-A184 VanDerWaalsContact SG-N 3.45Å; C182-C185 PolarHBondContact O-N 2.83Å; C182-C185 PolarHBondContact SG-SG 2.99Å; C182-G186 PolarHBondContact O-N 3.48Å; C182-Q187 PolarHBondContact N-O 3.25Å; C182-F189 HydrophobicContact CB-CD2 3.95Å; C182-F189 HydrophobicContact CB-CE2 3.54Å; C182-V211 VanDerWaalsContact SG-CA 3.58Å; C182-C212 HydrophobicContact CB-CB 4.27Å; C182-C212 PolarHBondContact SG-N 2.96Å; C182-C212 VanDerWaalsContact SG-SG 3.62Å
183R93.8Very high95.3Very high75 Ų7556.7 Ų56.728%0.28329%0.293SS..THydrogen-bonded Turntrans-69.4-14.7-179.7-76.873.7171.4140.75.3113.7H181 I200 F203 I205 V209 R210H181-R183 PolarHBondContact O-NH1 3.07Å; R183-I200 VanDerWaalsContact C-CD1 3.46Å; R183-I200 HydrophobicContact CB-CD1 3.67Å; R183-F203 WeakPolarHBondContact O-CD2 3.49Å; R183-F203 WeakPolarHBondContact O-CE2 3.47Å; R183-I205 HydrophobicContact CB-CD1 4.49Å; R183-V209 HydrophobicContact CB-CB 4.16Å; R183-V209 HydrophobicContact CB-CG2 3.69Å; R183-V209 HydrophobicContact CG-CB 3.96Å; R183-V209 HydrophobicContact CG-CG2 4.05Å; R183-R210 WeakPolarHBondContact CD-O 3.34Å; R183-R210 PolarHBondContact N-O 3.1Å
184A90.9Very high95.3Very high17 Ų1755.4 Ų55.414%0.1429%0.287CS..THydrogen-bonded Turntrans-88.5-21.5179.800000114.3C182 I200 F203 V211 C215 L219C182-A184 PolarHBondContact O-N 3.46Å; C182-A184 PolarHBondContact SG-N 3.05Å; C182-A184 VanDerWaalsContact SG-N 3.45Å; A184-I200 HydrophobicContact CB-CD1 3.84Å; A184-F203 WeakPolarHBondContact O-CE2 3.34Å; A184-V211 HydrophobicContact CB-CG1 3.82Å; A184-C215 HydrophobicContact CB-CB 3.62Å; A184-L219 HydrophobicContact CB-CD1 4.2Å
185C93.2Very high95.5Very high40 Ų4056.1 Ų56.127%0.2729%0.285SS..THydrogen-bonded Turntrans-142.54.8-173.967.40000115.7C182 Q187C182-C185 PolarHBondContact O-N 2.83Å; C182-C185 PolarHBondContact SG-SG 2.99Å; C185-Q187 PolarHBondContact O-N 3.26Å
186G94.6Very high95.7Very high1 Ų153.9 Ų53.91%0.0127%0.265CS..  trans71.1-17.2177.100000115.5V161 H181 C182V161-G186 PolarHBondContact N-O 3.38Å; H181-G186 PolarHBondContact CD2-O 3.32Å; C182-G186 PolarHBondContact O-N 3.48Å
187Q97.2Very high95.9Very high54 Ų5450.4 Ų50.425%0.25224%0.243SC..  trans-68.7156.7-177-65.1-62.4-28.400113.6H167 H181 C182 C185 F189H167-Q187 HydrophobicContact CB-CB 4.43Å; H167-Q187 PolarHBondContact CE1-OE1 3.19Å; H167-Q187 PolarHBondContact ND1-OE1 3.3Å; H181-Q187 WeakPolarHBondContact CA-O 3.45Å; C182-Q187 PolarHBondContact N-O 3.25Å; C185-Q187 PolarHBondContact O-N 3.26Å; Q187-F189 VanDerWaalsContact C-CE2 3.48Å; Q187-F189 HydrophobicContact CB-CE2 3.59Å; Q187-F189 HydrophobicContact CB-CZ 3.72Å; Q187-F189 VanDerWaalsContact O-CD2 3.25Å; Q187-F189 WeakPolarHBondContact O-CD2 3.45Å; Q187-F189 WeakPolarHBondContact O-CE2 3.5Å
188I97.5Very high95.8Very high2 Ų248.5 Ų48.51%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-104137.4-172.6-160.9172000113.4D162 A163 H167 F173 K179D162-I188 WeakPolarHBondContact OD1-CD1 3.37Å; A163-I188 HydrophobicContact CB-CG2 3.9Å; H167-I188 WeakPolarHBondContact CB-O 3.48Å; H167-I188 PolarHBondContact N-O 3.28Å; F173-I188 HydrophobicContact CE2-CD1 3.88Å; F173-I188 HydrophobicContact CE2-CG1 3.9Å; F173-I188 HydrophobicContact CE2-CG2 4.14Å; F173-I188 HydrophobicContact CZ-CD1 4.28Å; F173-I188 HydrophobicContact CZ-CG1 3.85Å; K179-I188 HydrophobicContact CB-CD1 3.89Å; K179-I188 HydrophobicContact CB-CG1 4.39Å; K179-I188 HydrophobicContact CD-CD1 3.85Å; K179-I188 HydrophobicContact CG-CD1 3.73Å
189F98.1Very high95.4Very high8 Ų842.2 Ų42.24%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-143.5158.4-171.4-57.8-85.8000112.3C166 H167 R168 F173 H180 C182 Q187 C193 C212C166-F189 VanDerWaalsContact SG-CA 3.58Å; H167-F189 HydrophobicContact CB-CD1 4.28Å; H167-F189 HydrophobicContact CB-CE1 3.87Å; H167-F189 HydrophobicContact CB-CZ 4.21Å; R168-F189 HydrophobicContact CB-CD1 3.96Å; R168-F189 HydrophobicContact CB-CE1 3.91Å; F173-F189 WeakPolarHBondContact CE1-O 3.34Å; H180-F189 WeakPolarHBondContact CB-O 3.38Å; H180-F189 PolarHBondContact N-O 3.47Å; H180-F189 PolarHBondContact O-N 3.23Å; C182-F189 HydrophobicContact CB-CD2 3.95Å; C182-F189 HydrophobicContact CB-CE2 3.54Å; Q187-F189 VanDerWaalsContact C-CE2 3.48Å; Q187-F189 HydrophobicContact CB-CE2 3.59Å; Q187-F189 HydrophobicContact CB-CZ 3.72Å; Q187-F189 VanDerWaalsContact O-CD2 3.25Å; Q187-F189 WeakPolarHBondContact O-CD2 3.45Å; Q187-F189 WeakPolarHBondContact O-CE2 3.5Å; F189-C193 HydrophobicContact CB-CB 4.38Å; F189-C193 HydrophobicContact CD1-CB 4.16Å; F189-C212 HydrophobicContact CD1-CB 4.23Å; F189-C212 HydrophobicContact CD2-CB 4.04Å; F189-C212 HydrophobicContact CE1-CB 3.89Å; F189-C212 HydrophobicContact CE2-CB 3.69Å; F189-C212 HydrophobicContact CG-CB 4.31Å; F189-C212 HydrophobicContact CZ-CB 3.62Å
190C97.6Very high94.9Very high9 Ų939 Ų396%0.06120%0.199CC..  trans-75.5164.9162.872.10000110.7C166 C169 V171 F173 T177 K192 C193 S194C166-C190 HydrophobicContact CB-CB 4.2Å; C166-C190 PolarHBondContact SG-N 2.93Å; C169-C190 VanDerWaalsContact SG-SG 3.61Å; V171-C190 HydrophobicContact CG1-CB 3.83Å; F173-C190 HydrophobicContact CE1-CB 4.31Å; T177-C190 HydrophobicContact CG2-CB 4.2Å; C190-K192 PolarHBondContact O-N 3.46Å; C190-K192 VanDerWaalsContact O-N 3.16Å; C190-C193 PolarHBondContact O-N 3.08Å; C190-S194 PolarHBondContact O-N 3.49Å; C190-S194 PolarHBondContact O-OG 3.29Å
191G95.7Very high93.7Very high31 Ų3139.4 Ų39.432%0.3221%0.207SC..THydrogen-bonded Turntrans-60.9-27.1-175.600000114.3H180 S195H180-G191 PolarHBondContact CD2-N 3.08Å; H180-G191 VanDerWaalsContact CD2-N 3.33Å; G191-S195 WeakPolarHBondContact O-CA 3.38Å; G191-S195 PolarHBondContact O-N 3.03Å
192K96.3Very high92.4Very high179 Ų17943.3 Ų43.378%0.77822%0.224SC*.THydrogen-bonded Turntrans-67.7-55.8175.8-64.3-175.1178.6-177.30111.3C190 S194 S195C190-K192 PolarHBondContact O-N 3.46Å; C190-K192 VanDerWaalsContact O-N 3.16Å; K192-S194 PolarHBondContact O-N 2.84Å; K192-S195 VanDerWaalsContact O-CB 3.23Å; K192-S195 WeakPolarHBondContact O-CB 3.38Å; K192-S195 PolarHBondContact O-N 3.39Å; K192-S195 PolarHBondContact O-OG 3.46Å
193C97.3Very high91.5Very high11 Ų1144.2 Ų44.27%0.07423%0.228CC..THydrogen-bonded Turntrans-73.8-5.7-176.6-63.10000115R168 F189 C190 C212R168-C193 HydrophobicContact CB-CB 4.13Å; F189-C193 HydrophobicContact CB-CB 4.38Å; F189-C193 HydrophobicContact CD1-CB 4.16Å; C190-C193 PolarHBondContact O-N 3.08Å; C193-C212 WeakPolarHBondContact O-CA 3.28Å; C193-C212 WeakPolarHBondContact O-CB 3.43Å
194S96.9Very high90.5Very high0 Ų042.4 Ų42.40%023%0.232CC..THydrogen-bonded Turntrans-126.132.517460.40000111.8C190 K192 K196 R210 V211C190-S194 PolarHBondContact O-N 3.49Å; C190-S194 PolarHBondContact O-OG 3.29Å; K192-S194 PolarHBondContact O-N 2.84Å; S194-K196 PolarHBondContact O-N 3.16Å; S194-R210 WeakPolarHBondContact O-CD 3.32Å; S194-R210 WeakPolarHBondContact O-CG 3.44Å; S194-R210 PolarHBondContact O-NH1 2.98Å; S194-V211 CarbonylContact C-O 3.53Å; S194-V211 WeakPolarHBondContact CA-O 3.23Å
195S96.3Very high89.9Confident59 Ų5943.5 Ų43.541%0.41324%0.236SC..  trans-73-11.4-177.952.10000114.4G191 K192G191-S195 WeakPolarHBondContact O-CA 3.38Å; G191-S195 PolarHBondContact O-N 3.03Å; K192-S195 VanDerWaalsContact O-CB 3.23Å; K192-S195 WeakPolarHBondContact O-CB 3.38Å; K192-S195 PolarHBondContact O-N 3.39Å; K192-S195 PolarHBondContact O-OG 3.46Å
196K96.6Very high89.1Confident82 Ų8248.5 Ų48.536%0.35726%0.255SS..EExtended strand (participates in β ladder)trans-90.9156.1-174.5-60.9-66.5-175.5172.20112.2S194 R210 V211 E213 F216S194-K196 PolarHBondContact O-N 3.16Å; K196-R210 WeakPolarHBondContact O-CA 3.26Å; K196-V211 HydrophobicContact CB-CG2 4.05Å; K196-V211 PolarHBondContact O-N 3.42Å; K196-E213 HydrophobicContact CG-CG 3.75Å; K196-F216 HydrophobicContact CB-CB 3.7Å; K196-F216 HydrophobicContact CB-CD1 4.4Å; K196-F216 HydrophobicContact CB-CD2 3.69Å; K196-F216 HydrophobicContact CB-CE2 4.41Å; K196-F216 HydrophobicContact CB-CG 3.68Å; K196-F216 HydrophobicContact CD-CD1 3.97Å; K196-F216 HydrophobicContact CD-CD2 4.33Å; K196-F216 HydrophobicContact CD-CE1 4.09Å; K196-F216 HydrophobicContact CD-CE2 4.43Å; K196-F216 HydrophobicContact CD-CG 4.1Å; K196-F216 HydrophobicContact CD-CZ 4.31Å; K196-F216 HydrophobicContact CG-CB 3.98Å; K196-F216 HydrophobicContact CG-CD1 4.1Å; K196-F216 HydrophobicContact CG-CD2 4.25Å; K196-F216 HydrophobicContact CG-CG 3.85Å
197Y95.5Very high88.4Confident107 Ų10756.6 Ų56.642%0.4229%0.29SS..EExtended strand (participates in β ladder)trans-133.9137.8177.8-69.4-106.3000108.8V209 R210 F216Y197-V209 WeakPolarHBondContact CA-O 3.44Å; Y197-R210 HydrophobicContact CE1-CB 4.29Å; Y197-R210 PolarHBondContact OH-NH2 2.89Å; Y197-R210 VanDerWaalsContact OH-NH2 3.1Å; Y197-F216 WeakPolarHBondContact O-CD2 3.34Å; Y197-F216 WeakPolarHBondContact O-CE2 3.29Å
198S90.7Very high88.1Confident8 Ų860.8 Ų60.86%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-153.8160.5173.9-171.10000109.6V209 N220S198-V209 PolarHBondContact N-O 3.14Å; S198-V209 VanDerWaalsContact N-O 3.11Å; S198-V209 WeakPolarHBondContact O-CG2 3.49Å; S198-V209 PolarHBondContact O-N 3.48Å; S198-N220 PolarHBondContact OG-OD1 2.99Å
199T87.6Confident87.9Confident51 Ų5162 Ų6231%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-73.5157169.164.40000109.4E206 E208T199-E206 WeakPolarHBondContact CG2-O 3.48Å; T199-E208 HydrophobicContact CG2-CG 4.09Å
200I85.6Confident87.9Confident0 Ų064 Ų640%032%0.324CS..EExtended strand (participates in β ladder)trans-132.775.8176.1-43.3175.4000108.7R183 A184 K202 F203 G204 I205 V209 V211 L219R183-I200 VanDerWaalsContact C-CD1 3.46Å; R183-I200 HydrophobicContact CB-CD1 3.67Å; A184-I200 HydrophobicContact CB-CD1 3.84Å; I200-K202 VanDerWaalsContact C-N 3.25Å; I200-K202 HydrophobicContact CG2-CG 3.97Å; I200-K202 PolarHBondContact O-N 3.25Å; I200-F203 HydrophobicContact CB-CB 4.35Å; I200-F203 HydrophobicContact CB-CD2 4.33Å; I200-F203 HydrophobicContact CD1-CD2 4.39Å; I200-F203 HydrophobicContact CG2-CB 3.94Å; I200-F203 HydrophobicContact CG2-CD2 3.48Å; I200-F203 VanDerWaalsContact CG2-CD2 3.48Å; I200-F203 HydrophobicContact CG2-CE2 4.07Å; I200-F203 HydrophobicContact CG2-CG 3.71Å; I200-F203 CarbonylContact O-C 3.55Å; I200-F203 PolarHBondContact O-N 2.98Å; I200-G204 PolarHBondContact O-N 3.43Å; I200-I205 HydrophobicContact CB-CB 4.17Å; I200-I205 HydrophobicContact CD1-CD1 4.38Å; I200-I205 PolarHBondContact N-O 3.06Å; I200-I205 PolarHBondContact O-N 3.06Å; I200-V209 HydrophobicContact CD1-CG2 3.62Å; I200-V209 HydrophobicContact CG1-CG2 3.89Å; I200-V211 HydrophobicContact CD1-CG1 4.01Å; I200-L219 HydrophobicContact CG1-CD1 4.01Å; I200-L219 HydrophobicContact CG2-CD2 4.29Å
201P73.2Confident87.9Confident66 Ų6663.5 Ų63.543%0.42932%0.321SS..G310 helixtrans-59-34.5-173-26.536.4000113.4F203 G204 L225P201-F203 PolarHBondContact O-N 2.91Å; P201-G204 PolarHBondContact O-N 3.17Å; P201-L225 HydrophobicContact CG-CD1 4.43Å
202K69.4Low88Confident110 Ų11062.2 Ų62.248%0.47831%0.307SS..G310 helixtrans-62.9-22.7176.270.3179.6-155119.80114.1E155 I200E155-K202 PolarHBondContact N-O 2.93Å; E155-K202 WeakPolarHBondContact OE2-CD 3.43Å; E155-K202 WeakPolarHBondContact OE2-CE 3.3Å; E155-K202 IonicContact OE2-NZ 3.78Å; E155-K202 PolarHBondContact OE2-NZ 3.16Å; I200-K202 VanDerWaalsContact C-N 3.25Å; I200-K202 HydrophobicContact CG2-CG 3.97Å; I200-K202 PolarHBondContact O-N 3.25Å
203F78Confident87.9Confident18 Ų1855.7 Ų55.78%0.07928%0.279CS..G310 helixtrans-101.412.2174-61.8-14.6000112.1A154 E155 A157 P158 R183 A184 I200 P201 I205A154-F203 WeakPolarHBondContact CB-O 3.33Å; E155-F203 HydrophobicContact CB-CD1 3.73Å; E155-F203 HydrophobicContact CB-CE1 3.73Å; E155-F203 WeakPolarHBondContact O-CD1 3.42Å; E155-F203 WeakPolarHBondContact OE2-CE1 3.4Å; A157-F203 HydrophobicContact CB-CB 4.27Å; A157-F203 HydrophobicContact CB-CD2 3.77Å; A157-F203 HydrophobicContact CB-CE2 4.3Å; A157-F203 HydrophobicContact CB-CG 4.05Å; P158-F203 HydrophobicContact CG-CE2 4.29Å; P158-F203 HydrophobicContact CG-CZ 4.04Å; R183-F203 WeakPolarHBondContact O-CD2 3.49Å; R183-F203 WeakPolarHBondContact O-CE2 3.47Å; A184-F203 WeakPolarHBondContact O-CE2 3.34Å; I200-F203 HydrophobicContact CB-CB 4.35Å; I200-F203 HydrophobicContact CB-CD2 4.33Å; I200-F203 HydrophobicContact CD1-CD2 4.39Å; I200-F203 HydrophobicContact CG2-CB 3.94Å; I200-F203 HydrophobicContact CG2-CD2 3.48Å; I200-F203 VanDerWaalsContact CG2-CD2 3.48Å; I200-F203 HydrophobicContact CG2-CE2 4.07Å; I200-F203 HydrophobicContact CG2-CG 3.71Å; I200-F203 CarbonylContact O-C 3.55Å; I200-F203 PolarHBondContact O-N 2.98Å; P201-F203 PolarHBondContact O-N 2.91Å; F203-I205 HydrophobicContact CB-CD1 3.99Å; F203-I205 HydrophobicContact CB-CG1 3.89Å; F203-I205 WeakPolarHBondContact O-CG1 3.23Å; F203-I205 PolarHBondContact O-N 2.98Å
204G71.6Confident87.7Confident37 Ų3757.8 Ų57.838%0.38129%0.293SS..THydrogen-bonded Turntrans67.114.3-175.800000114.1I200 P201 E206I200-G204 PolarHBondContact O-N 3.43Å; P201-G204 PolarHBondContact O-N 3.17Å; G204-E206 PolarHBondContact O-N 2.98Å
205I79.4Confident87.6Confident41 Ų4158.2 Ų58.221%0.2130%0.295CS..EExtended strand (participates in β ladder)trans-95.782.3-175.2-45.7-179.4000109.3R183 I200 F203 K207 V209R183-I205 HydrophobicContact CB-CD1 4.49Å; I200-I205 HydrophobicContact CB-CB 4.17Å; I200-I205 HydrophobicContact CD1-CD1 4.38Å; I200-I205 PolarHBondContact N-O 3.06Å; I200-I205 PolarHBondContact O-N 3.06Å; F203-I205 HydrophobicContact CB-CD1 3.99Å; F203-I205 HydrophobicContact CB-CG1 3.89Å; F203-I205 WeakPolarHBondContact O-CG1 3.23Å; F203-I205 PolarHBondContact O-N 2.98Å; I205-K207 WeakPolarHBondContact CG2-O 3.3Å; I205-K207 PolarHBondContact O-N 3.1Å; I205-V209 HydrophobicContact CD1-CG2 4.44Å; I205-V209 HydrophobicContact CG2-CB 4.32Å; I205-V209 HydrophobicContact CG2-CG1 3.59Å; I205-V209 HydrophobicContact CG2-CG2 3.75Å
206E75.7Confident87.5Confident144 Ų14457.8 Ų57.867%0.67329%0.286SS*.EExtended strand (participates in β ladder)trans-68.7-16.5178.3-61.2177.316300113.8T199 G204T199-E206 WeakPolarHBondContact CG2-O 3.48Å; G204-E206 PolarHBondContact O-N 2.98Å
207K79.9Confident87.3Confident171 Ų17158.8 Ų58.874%0.74329%0.292SS*.EExtended strand (participates in β ladder)trans-91.7146.1178.2-63.8-178.4-178.21780110.5I205 V209I205-K207 WeakPolarHBondContact CG2-O 3.3Å; I205-K207 PolarHBondContact O-N 3.1Å; K207-V209 PolarHBondContact O-N 3.31Å
208E91Very high86.8Confident143 Ų14360.1 Ų60.167%0.66830%0.302SS*.EExtended strand (participates in β ladder)trans-63.9121174.8-63.3-171.1152.100111T199T199-E208 HydrophobicContact CG2-CG 4.09Å
209V94.7Very high86.5Confident27 Ų2761.9 Ų61.916%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-126.3154.4-178.1-72.50000111.6R183 Y197 S198 I200 I205 K207 V211R183-V209 HydrophobicContact CB-CB 4.16Å; R183-V209 HydrophobicContact CB-CG2 3.69Å; R183-V209 HydrophobicContact CG-CB 3.96Å; R183-V209 HydrophobicContact CG-CG2 4.05Å; Y197-V209 WeakPolarHBondContact CA-O 3.44Å; S198-V209 PolarHBondContact N-O 3.14Å; S198-V209 VanDerWaalsContact N-O 3.11Å; S198-V209 WeakPolarHBondContact O-CG2 3.49Å; S198-V209 PolarHBondContact O-N 3.48Å; I200-V209 HydrophobicContact CD1-CG2 3.62Å; I200-V209 HydrophobicContact CG1-CG2 3.89Å; I205-V209 HydrophobicContact CD1-CG2 4.44Å; I205-V209 HydrophobicContact CG2-CB 4.32Å; I205-V209 HydrophobicContact CG2-CG1 3.59Å; I205-V209 HydrophobicContact CG2-CG2 3.75Å; K207-V209 PolarHBondContact O-N 3.31Å; V209-V211 PolarHBondContact O-N 3.27Å
210R97.1Very high86.2Confident49 Ų4963.4 Ų63.419%0.18532%0.317CS..EExtended strand (participates in β ladder)trans-58.3124.6-177-170.6-176.6-68.4-802.4111.9R183 S194 K196 Y197R183-R210 WeakPolarHBondContact CD-O 3.34Å; R183-R210 PolarHBondContact N-O 3.1Å; S194-R210 WeakPolarHBondContact O-CD 3.32Å; S194-R210 WeakPolarHBondContact O-CG 3.44Å; S194-R210 PolarHBondContact O-NH1 2.98Å; K196-R210 WeakPolarHBondContact O-CA 3.26Å; Y197-R210 HydrophobicContact CE1-CB 4.29Å; Y197-R210 PolarHBondContact OH-NH2 2.89Å; Y197-R210 VanDerWaalsContact OH-NH2 3.1Å
211V97Very high85.3Confident0 Ų069.2 Ų69.20%035%0.348CS..EExtended strand (participates in β ladder)trans-130154.1175.8-72.10000110.9C182 A184 S194 K196 I200 V209 C215 F216 L219C182-V211 VanDerWaalsContact SG-CA 3.58Å; A184-V211 HydrophobicContact CB-CG1 3.82Å; S194-V211 CarbonylContact C-O 3.53Å; S194-V211 WeakPolarHBondContact CA-O 3.23Å; K196-V211 HydrophobicContact CB-CG2 4.05Å; K196-V211 PolarHBondContact O-N 3.42Å; I200-V211 HydrophobicContact CD1-CG1 4.01Å; V209-V211 PolarHBondContact O-N 3.27Å; V211-C215 HydrophobicContact CB-CB 4.32Å; V211-F216 HydrophobicContact CG2-CB 3.82Å; V211-F216 HydrophobicContact CG2-CD2 4.2Å; V211-L219 HydrophobicContact CG1-CD1 4.12Å
212C97.4Very high84.2Confident4 Ų471.2 Ų71.23%0.02735%0.352CS..  trans-74.6155.6166.762.40000110.4C182 F189 C193 C215 F216C182-C212 HydrophobicContact CB-CB 4.27Å; C182-C212 PolarHBondContact SG-N 2.96Å; C182-C212 VanDerWaalsContact SG-SG 3.62Å; F189-C212 HydrophobicContact CD1-CB 4.23Å; F189-C212 HydrophobicContact CD2-CB 4.04Å; F189-C212 HydrophobicContact CE1-CB 3.89Å; F189-C212 HydrophobicContact CE2-CB 3.69Å; F189-C212 HydrophobicContact CG-CB 4.31Å; F189-C212 HydrophobicContact CZ-CB 3.62Å; C193-C212 WeakPolarHBondContact O-CA 3.28Å; C193-C212 WeakPolarHBondContact O-CB 3.43Å; C212-C215 PolarHBondContact O-N 3.33Å; C212-C215 VanDerWaalsContact SG-SG 3.6Å; C212-F216 PolarHBondContact O-N 3.11Å
213E94.5Very high82.9Confident41 Ų4172.3 Ų72.319%0.19237%0.37CS..Hα-helixtrans-52-44.8-178.2-73.8150.7-114.800113.9R168 K196 C215 F216 E217R168-E213 IonicContact CZ-OE1 3.66Å; R168-E213 IonicContact CZ-OE2 2.65Å; R168-E213 IonicContact NH1-OE1 3.2Å; R168-E213 PolarHBondContact NH1-OE1 3.43Å; R168-E213 IonicContact NH1-OE2 3.87Å; R168-E213 PolarHBondContact NH1-OE2 3.36Å; R168-E213 IonicContact NH2-OE2 2.65Å; R168-E213 PolarHBondContact NH2-OE2 3Å; K196-E213 HydrophobicContact CG-CG 3.75Å; E213-C215 VanDerWaalsContact C-N 3.32Å; E213-C215 PolarHBondContact O-N 3.06Å; E213-F216 WeakPolarHBondContact O-CB 3.32Å; E213-F216 PolarHBondContact O-N 3.34Å; E213-F216 VanDerWaalsContact O-N 3.14Å; E213-E217 PolarHBondContact O-N 3.18Å
214P93.8Very high81.3Confident55 Ų5574.1 Ų74.136%0.35739%0.385SS..Hα-helixtrans-59.3-39176.4-2635.7000113.8Q218P214-Q218 WeakPolarHBondContact O-CB 3.21Å; P214-Q218 WeakPolarHBondContact O-CG 3.36Å; P214-Q218 PolarHBondContact O-N 3.21Å
215C94.1Very high80.3Confident9 Ų977 Ų776%0.06139%0.391CS..Hα-helixtrans-75.3-32.1176.9-67.80000112.4A184 V211 C212 E213 Q218 L219A184-C215 HydrophobicContact CB-CB 3.62Å; V211-C215 HydrophobicContact CB-CB 4.32Å; C212-C215 PolarHBondContact O-N 3.33Å; C212-C215 VanDerWaalsContact SG-SG 3.6Å; E213-C215 VanDerWaalsContact C-N 3.32Å; E213-C215 PolarHBondContact O-N 3.06Å; C215-Q218 PolarHBondContact O-N 2.87Å; C215-L219 WeakPolarHBondContact O-CB 3.32Å; C215-L219 WeakPolarHBondContact O-CD1 3.42Å; C215-L219 WeakPolarHBondContact O-CG 3.33Å; C215-L219 PolarHBondContact O-N 3.29Å
216F94.4Very high78.2Confident50 Ų5080 Ų8022%0.21942%0.415CS..Hα-helixtrans-61.6-45.1171.9177.6-97.7000111.2K196 Y197 V211 C212 E213 L219 N220K196-F216 HydrophobicContact CB-CB 3.7Å; K196-F216 HydrophobicContact CB-CD1 4.4Å; K196-F216 HydrophobicContact CB-CD2 3.69Å; K196-F216 HydrophobicContact CB-CE2 4.41Å; K196-F216 HydrophobicContact CB-CG 3.68Å; K196-F216 HydrophobicContact CD-CD1 3.97Å; K196-F216 HydrophobicContact CD-CD2 4.33Å; K196-F216 HydrophobicContact CD-CE1 4.09Å; K196-F216 HydrophobicContact CD-CE2 4.43Å; K196-F216 HydrophobicContact CD-CG 4.1Å; K196-F216 HydrophobicContact CD-CZ 4.31Å; K196-F216 HydrophobicContact CG-CB 3.98Å; K196-F216 HydrophobicContact CG-CD1 4.1Å; K196-F216 HydrophobicContact CG-CD2 4.25Å; K196-F216 HydrophobicContact CG-CG 3.85Å; Y197-F216 WeakPolarHBondContact O-CD2 3.34Å; Y197-F216 WeakPolarHBondContact O-CE2 3.29Å; V211-F216 HydrophobicContact CG2-CB 3.82Å; V211-F216 HydrophobicContact CG2-CD2 4.2Å; C212-F216 PolarHBondContact O-N 3.11Å; E213-F216 WeakPolarHBondContact O-CB 3.32Å; E213-F216 PolarHBondContact O-N 3.34Å; E213-F216 VanDerWaalsContact O-N 3.14Å; F216-L219 PolarHBondContact O-N 2.9Å; F216-N220 WeakPolarHBondContact CE2-ND2 3.21Å; F216-N220 WeakPolarHBondContact CZ-ND2 3.37Å; F216-N220 WeakPolarHBondContact O-CB 3.41Å; F216-N220 PolarHBondContact O-N 3.37Å
217E92.8Very high76.4Confident103 Ų10378.4 Ų78.448%0.48142%0.417SS..Hα-helixtrans-63.7-43.9175.3-72.2164.3-155.400111.7E213 L219 N220 N221E213-E217 PolarHBondContact O-N 3.18Å; E217-L219 PolarHBondContact O-N 2.79Å; E217-N220 PolarHBondContact O-N 3.42Å; E217-N221 WeakPolarHBondContact O-CB 3.44Å; E217-N221 VanDerWaalsContact O-CG 3.25Å; E217-N221 PolarHBondContact O-N 3.28Å; E217-N221 PolarHBondContact O-ND2 2.95Å
218Q85.8Confident74.4Confident135 Ų13576.5 Ų76.563%0.63142%0.423SS*.Hα-helixtrans-62.1-39.6176.2-73.6164.1-5.400113.4P214 C215P214-Q218 WeakPolarHBondContact O-CB 3.21Å; P214-Q218 WeakPolarHBondContact O-CG 3.36Å; P214-Q218 PolarHBondContact O-N 3.21Å; C215-Q218 PolarHBondContact O-N 2.87Å
219L84.4Confident71.9Confident45 Ų4577.6 Ų77.624%0.23643%0.432CS..Hα-helixtrans-74.2-38.3179.9-71164.8000112.1A184 I200 V211 C215 F216 E217A184-L219 HydrophobicContact CB-CD1 4.2Å; I200-L219 HydrophobicContact CG1-CD1 4.01Å; I200-L219 HydrophobicContact CG2-CD2 4.29Å; V211-L219 HydrophobicContact CG1-CD1 4.12Å; C215-L219 WeakPolarHBondContact O-CB 3.32Å; C215-L219 WeakPolarHBondContact O-CD1 3.42Å; C215-L219 WeakPolarHBondContact O-CG 3.33Å; C215-L219 PolarHBondContact O-N 3.29Å; F216-L219 PolarHBondContact O-N 2.9Å; E217-L219 PolarHBondContact O-N 2.79Å
220N79.9Confident69.3Low84 Ų8484.9 Ų84.945%0.44946%0.457SS..Hα-helixtrans-93.5-21.9-173.3-7028.2000114.2S198 F216 E217S198-N220 PolarHBondContact OG-OD1 2.99Å; F216-N220 WeakPolarHBondContact CE2-ND2 3.21Å; F216-N220 WeakPolarHBondContact CZ-ND2 3.37Å; F216-N220 WeakPolarHBondContact O-CB 3.41Å; F216-N220 PolarHBondContact O-N 3.37Å; E217-N220 PolarHBondContact O-N 3.42Å
221N68.1Low66.2Low121 Ų12192.3 Ų92.365%0.64749%0.49SS*.SBendtrans-88.61.8178.1-64.6-26.7000113.5E217 P223E217-N221 WeakPolarHBondContact O-CB 3.44Å; E217-N221 VanDerWaalsContact O-CG 3.25Å; E217-N221 PolarHBondContact O-N 3.28Å; E217-N221 PolarHBondContact O-ND2 2.95Å; N221-P223 WeakPolarHBondContact O-CD 3.49Å
222H49.3Very low63.4Low109 Ų10997 Ų9751%0.50553%0.529SS..SBendtrans-76.7117.9174.2-148.9-84.8000110S224H222-S224 PolarHBondContact ND1-OG 3.2Å; H222-S224 VanDerWaalsContact ND1-OG 3.11Å; H222-S224 PolarHBondContact O-N 2.8Å
223P42.9Very low60.5Low132 Ų132105.7 Ų105.786%0.85757%0.569SS**THydrogen-bonded Turntrans-71.320-164.8-22.635.5000117.7N221N221-P223 WeakPolarHBondContact O-CD 3.49Å
224S43.3Very low57.6Low56 Ų56107.2 Ų107.239%0.39260%0.596SS.*THydrogen-bonded Turntrans-127.76.3-164.658.30000116.5H222H222-S224 PolarHBondContact ND1-OG 3.2Å; H222-S224 VanDerWaalsContact ND1-OG 3.11Å; H222-S224 PolarHBondContact O-N 2.8Å
225L50.9Low54.6Low99 Ų99114 Ų11452%0.51862%0.62SS.*  trans-134.758.7-177.7-69.2176.7000114.3P201P201-L225 HydrophobicContact CG-CD1 4.43Å
226S34.4Very low51.7Low103 Ų103117.8 Ų117.872%0.7265%0.652SS**  trans-128.1128.2164.463.30000111
227P37.8Very low48.7Very low110 Ų110121 Ų12171%0.71468%0.678SS**  trans-58.5150.1168.6-22.333.7000111.4L229P227-L229 PolarHBondContact O-N 2.95Å
228P38.2Very low45.6Very low131 Ų131121.3 Ų121.385%0.85169%0.691SS**  trans-71.190.8-176.328.4-34.9000112
229L39.1Very low43Very low167 Ų167120.5 Ų120.587%0.87470%0.701SS**PPolyproline II helixtrans-65.7131.8164.9-83.2167.2000109.9P227 K231P227-L229 PolarHBondContact O-N 2.95Å; L229-K231 PolarHBondContact O-N 2.92Å
230R40.1Very low40.3Very low179 Ų179123.6 Ų123.668%0.67573%0.726SS**PPolyproline II helixtrans-63120.7-177.2-70.5175.9164167.4-6.5110.9E354R230-E354 IonicContact CZ-OE1 3.2Å; R230-E354 IonicContact NH2-OE1 2.81Å; R230-E354 PolarHBondContact NH2-OE1 3.09Å
231K32.7Very low37.8Very low205 Ų205125.2 Ų125.289%0.89174%0.744SS**PPolyproline II helixtrans-94.5129.5157.9-78.7-174.1174.6179.90109.4L229L229-K231 PolarHBondContact O-N 2.92Å
232A36.5Very low35.8Very low98 Ų98124.1 Ų124.181%0.8175%0.746SS**PPolyproline II helixtrans-91149.4149.600000108.3
233E37.2Very low34.8Very low188 Ų188124.4 Ų124.488%0.87976%0.76SS**PPolyproline II helixtrans-84.1161.7174.5-62.1176.874.900110.8
234G33Very low34.2Very low73 Ų73122.8 Ų122.875%0.75375%0.752SS**  cis-145.9-152.6-400000108.9
235K32.3Very low33.6Very low196 Ų196125.6 Ų125.685%0.85277%0.767SS**  cis-151.5168.4-3.1-161.676.7170.2-173.20106.8
236A33.5Very low32.8Very low89 Ų89127.7 Ų127.774%0.73678%0.779SS**  trans-81.5165.1-170.500000115.6
237P30.7Very low32.7Very low119 Ų119130.1 Ų130.177%0.77378%0.783SS**  -121.2118118.333.7-28.7000110.3
238S28.4Very low32.8Very low108 Ų108129.9 Ų129.976%0.75578%0.781SS**  86.6114.67072.60000113.7
239S29.3Very low33Very low118 Ų118128.2 Ų128.283%0.82577%0.771SS**  trans-73.2163.8174.149.60000113.1
240S28.5Very low33.2Very low110 Ų110129 Ų12977%0.76977%0.77SS**  trans-75.7158.6178.845.20000113.9
241S27.9Very low33.1Very low118 Ų118131.3 Ų131.383%0.82578%0.78SS**  trans68.9134.1-175.872.80000115.2
242S26.5Very low33.4Very low99 Ų99129 Ų12969%0.69278%0.777SS**  cis-157.2142.98.550.90000113.4
243S28.5Very low33.9Very low115 Ų115130.5 Ų130.580%0.80478%0.776SS**  trans58.7144.2158.644.30000119.5
244S28.5Very low33.9Very low97 Ų97125.9 Ų125.968%0.67876%0.764SS**  cis-164.9171.9-0.648.20000111.7
245T32.6Very low34.4Very low116 Ų116128.4 Ų128.471%0.71277%0.767SS**  trans64.4115.3163.5420000117.6
246D33.4Very low34.6Very low143 Ų143126.9 Ų126.977%0.76577%0.767SS**  73.2125.675.9-77.7-62.4000112.3
247L32.9Very low34.9Very low153 Ų153127.8 Ų127.880%0.80177%0.769SS**  cis-161.4-167.944.7-115.9160.5000110.7
248P38.9Very low35.6Very low106 Ų106131.1 Ų131.169%0.68877%0.774SS**  -119.7-147.7-122.449.7-33.3000115.5
249P43Very low35.9Very low96 Ų96133.5 Ų133.562%0.62377%0.773SS**  -12322.2-117.334.3-10.8000116.5Y251P249-Y251 PolarHBondContact O-N 3.31Å
250E42.1Very low36.4Very low183 Ų183133.7 Ų133.786%0.85577%0.774SS**G310 helixtrans-67.7-17.5-175-67.8-173.1121.800114.6L252E250-L252 VanDerWaalsContact C-N 3.3Å; E250-L252 PolarHBondContact O-N 3.4Å
251Y39.7Very low36.6Very low228 Ų228135.5 Ų135.589%0.89477%0.771SS**G310 helixtrans-80.7-1.3-172.4-131.4-94.5000115.2P249P249-Y251 PolarHBondContact O-N 3.31Å
252L37.5Very low37Very low157 Ų157137.9 Ų137.982%0.82277%0.771SS**G310 helixtrans-91.8-2.1-174.9-77.2171.9000115.2E250E250-L252 VanDerWaalsContact C-N 3.3Å; E250-L252 PolarHBondContact O-N 3.4Å
253T46.6Very low37.4Very low129 Ų129138.8 Ų138.879%0.79177%0.774SS**  trans-121.152.8-176.644.60000113.5
254S38.5Very low38.2Very low90 Ų90139 Ų13963%0.62977%0.773SS**  trans-100.2122.2167-173.10000110.7L256S254-L256 VanDerWaalsContact C-N 3.26Å; S254-L256 PolarHBondContact O-N 3.36Å
255P42.7Very low39.1Very low126 Ų126143.5 Ų143.582%0.81878%0.78SS**SBendtrans-84.849.1-165.635.9-38.7000113.9
256L36.9Very low39.9Very low164 Ų164145.7 Ų145.786%0.85978%0.776SS**  trans-118.119.3-177.5-150.471.4000114.1S254S254-L256 VanDerWaalsContact C-N 3.26Å; S254-L256 PolarHBondContact O-N 3.36Å
257S39.3Very low41.1Very low109 Ų109144.6 Ų144.676%0.76277%0.769SS**SBendtrans-104-6.5178.256.10000114.4
258Q46.8Very low41.9Very low189 Ų189145.3 Ų145.388%0.88377%0.769SS**  trans-110.465.2179-68.6-169.1000112.4
259Q34.7Very low42.5Very low157 Ų157143.6 Ų143.673%0.73476%0.763SS**  trans-137.8103.7159.7-159.5172.128.100110.8Q261Q259-Q261 HydrophobicContact CG-CG 4.45Å
260S38.3Very low43.3Very low122 Ų122140.8 Ų140.885%0.85375%0.749SS**  trans-77.7121.6171.7-175.50000109.4
261Q33.1Very low44.1Very low148 Ų148136.5 Ų136.569%0.69273%0.731SS**  trans-131.5127.2165.2-65.9-167.510.500109.3Q259Q259-Q261 HydrophobicContact CG-CG 4.45Å
262M35.6Very low45.2Very low168 Ų168132 Ų13283%0.82872%0.718SS**PPolyproline II helixtrans-68.3146.8163-67.6174.462.900108.7
263P36.6Very low46.5Very low118 Ų118131.2 Ų131.277%0.76671%0.71SS**PPolyproline II helixtrans-61.5136175.526.5-34000109.9
264P43.6Very low47.3Very low119 Ų119129.2 Ų129.277%0.77369%0.692SS**PPolyproline II helixtrans-62.6152.2172.428.1-34.3000109.8R266P264-R266 PolarHBondContact O-N 3.26Å
265K47.9Very low48.6Very low192 Ų192130.4 Ų130.484%0.83569%0.687SS**PPolyproline II helixtrans-60.8128.1165.3-70-177.5177.4-178.20107.5D267K265-D267 PolarHBondContact O-N 3.16Å
266R49.5Very low49.7Very low163 Ų163130 Ų13062%0.61567%0.674SS**  trans-62.7114.5169.3-173173.4179.5143.4-12.6106.8P264 A270 E274P264-R266 PolarHBondContact O-N 3.26Å; R266-A270 HydrophobicContact CG-CB 4.39Å; R266-E274 IonicContact CZ-OE2 3.1Å; R266-E274 IonicContact NE-OE2 3.5Å; R266-E274 VanDerWaalsContact NH2-CD 3.26Å; R266-E274 IonicContact NH2-OE1 2.74Å; R266-E274 PolarHBondContact NH2-OE1 2.84Å; R266-E274 IonicContact NH2-OE2 2.8Å; R266-E274 PolarHBondContact NH2-OE2 3.11Å
267D58.4Low51.1Low119 Ų119127.3 Ų127.364%0.63666%0.66SS**  trans-59.9148.2-169.5-68.8-65.8000112.3K265 A269 A270 L271K265-D267 PolarHBondContact O-N 3.16Å; D267-A269 PolarHBondContact O-N 2.92Å; D267-A270 WeakPolarHBondContact O-CB 3.49Å; D267-A270 PolarHBondContact O-N 3.34Å; D267-L271 PolarHBondContact O-N 2.96Å
268E50.7Low52.5Low169 Ų169128.9 Ų128.979%0.7966%0.656SS**Hα-helixtrans-61.2-31-175.9-156.3151.5122.800111.7A270 L271 Q272E268-A270 VanDerWaalsContact C-N 3.35Å; E268-A270 PolarHBondContact O-N 3Å; E268-L271 PolarHBondContact O-N 3.39Å; E268-Q272 WeakPolarHBondContact O-CB 3.46Å; E268-Q272 PolarHBondContact O-N 2.93Å
269A50.8Low53.4Low69 Ų69123.5 Ų123.557%0.5763%0.633SS**Hα-helixtrans-62.4-34.9171.400000113.6D267 Q272 E273D267-A269 PolarHBondContact O-N 2.92Å; A269-Q272 PolarHBondContact O-N 2.71Å; A269-E273 WeakPolarHBondContact O-CB 3.3Å; A269-E273 PolarHBondContact O-N 3.37Å
270A60.2Low55.1Low38 Ų38118.6 Ų118.631%0.31462%0.619SS.*Hα-helixtrans-75.9-29.4178.400000112.2R266 D267 E268 E274R266-A270 HydrophobicContact CG-CB 4.39Å; D267-A270 WeakPolarHBondContact O-CB 3.49Å; D267-A270 PolarHBondContact O-N 3.34Å; E268-A270 VanDerWaalsContact C-N 3.35Å; E268-A270 PolarHBondContact O-N 3Å; A270-E274 WeakPolarHBondContact O-CB 3.3Å; A270-E274 PolarHBondContact O-N 3.11Å; A270-E274 VanDerWaalsContact O-N 3.15Å
271L58.2Low56.8Low93 Ų93117.1 Ų117.149%0.48760%0.601SS.*Hα-helixtrans-71.5-35.3168.2-75.1167.6000111.6D267 E268 E274 E275D267-L271 PolarHBondContact O-N 2.96Å; E268-L271 PolarHBondContact O-N 3.39Å; L271-E274 PolarHBondContact O-N 3.17Å; L271-E275 PolarHBondContact O-N 2.94Å
272Q64.2Low58.7Low134 Ų134112.6 Ų112.663%0.62659%0.589SS**Hα-helixtrans-69.3-40176.4-167.4171.25.600112.1E268 A269 E274 E275 E276E268-Q272 WeakPolarHBondContact O-CB 3.46Å; E268-Q272 PolarHBondContact O-N 2.93Å; A269-Q272 PolarHBondContact O-N 2.71Å; Q272-E274 VanDerWaalsContact C-N 3.33Å; Q272-E275 PolarHBondContact O-N 2.72Å; Q272-E276 WeakPolarHBondContact O-CB 3.38Å; Q272-E276 PolarHBondContact O-N 3.42Å
273E63Low59.8Low140 Ų140107.4 Ų107.465%0.65456%0.564SS**Hα-helixtrans-63.3-37.6171-174.1176.4-168.600111.6A269 E276 L277A269-E273 WeakPolarHBondContact O-CB 3.3Å; A269-E273 PolarHBondContact O-N 3.37Å; E273-E276 PolarHBondContact O-N 2.68Å; E273-L277 WeakPolarHBondContact O-CB 3.31Å; E273-L277 PolarHBondContact O-N 2.66Å
274E64.6Low61.6Low87 Ų87105.6 Ų105.641%0.40755%0.554SS.*Hα-helixtrans-69.7-37.4175.9-167.2165-159.100112.4R266 A270 L271 Q272 Q278R266-E274 IonicContact CZ-OE2 3.1Å; R266-E274 IonicContact NE-OE2 3.5Å; R266-E274 VanDerWaalsContact NH2-CD 3.26Å; R266-E274 IonicContact NH2-OE1 2.74Å; R266-E274 PolarHBondContact NH2-OE1 2.84Å; R266-E274 IonicContact NH2-OE2 2.8Å; R266-E274 PolarHBondContact NH2-OE2 3.11Å; A270-E274 WeakPolarHBondContact O-CB 3.3Å; A270-E274 PolarHBondContact O-N 3.11Å; A270-E274 VanDerWaalsContact O-N 3.15Å; L271-E274 PolarHBondContact O-N 3.17Å; Q272-E274 VanDerWaalsContact C-N 3.33Å; E274-Q278 WeakPolarHBondContact O-CB 3.45Å; E274-Q278 PolarHBondContact O-N 3.08Å
275E66.1Low62.7Low114 Ų114106.2 Ų106.253%0.53355%0.547SS..Hα-helixtrans-70-38.3172.2-168.8169.7-14500112L271 Q272 Q278 L279L271-E275 PolarHBondContact O-N 2.94Å; Q272-E275 PolarHBondContact O-N 2.72Å; E275-Q278 PolarHBondContact O-N 2.84Å; E275-L279 WeakPolarHBondContact O-CB 3.37Å; E275-L279 PolarHBondContact O-N 3.3Å
276E64.3Low63.6Low117 Ų11799.8 Ų99.855%0.54753%0.526SS..Hα-helixtrans-68.1-42.3175.6-174.2167.2-163.600112.1Q272 E273 L279 A280Q272-E276 WeakPolarHBondContact O-CB 3.38Å; Q272-E276 PolarHBondContact O-N 3.42Å; E273-E276 PolarHBondContact O-N 2.68Å; E276-L279 PolarHBondContact O-N 3.37Å; E276-A280 WeakPolarHBondContact O-CB 3.41Å; E276-A280 PolarHBondContact O-N 2.93Å
277L67.4Low64.7Low108 Ų10897.7 Ų97.757%0.56552%0.523SS*.Hα-helixtrans-61.9-43.2173.3-179.964.6000111.5E273 L279 A280 I281E273-L277 WeakPolarHBondContact O-CB 3.31Å; E273-L277 PolarHBondContact O-N 2.66Å; L277-L279 VanDerWaalsContact C-N 3.35Å; L277-A280 PolarHBondContact O-N 2.77Å; L277-I281 HydrophobicContact CD1-CD1 4.48Å; L277-I281 HydrophobicContact CG-CD1 4.22Å; L277-I281 WeakPolarHBondContact O-CG1 3.3Å; L277-I281 PolarHBondContact O-N 3.46Å
278Q67.8Low65.2Low143 Ų14394.8 Ų94.867%0.66852%0.516SS*.Hα-helixtrans-68.3-34.8178.6-169.6160.989.200111.9E274 E275 A282E274-Q278 WeakPolarHBondContact O-CB 3.45Å; E274-Q278 PolarHBondContact O-N 3.08Å; E275-Q278 PolarHBondContact O-N 2.84Å; Q278-A282 PolarHBondContact O-N 2.89Å; Q278-A282 VanDerWaalsContact O-N 3.12Å
279L67.5Low66.2Low76 Ų7693.5 Ų93.540%0.39851%0.51SS..Hα-helixtrans-64.1-44.6169.5-179.262000111.6E275 E276 L277 I281 A282 L283 M518E275-L279 WeakPolarHBondContact O-CB 3.37Å; E275-L279 PolarHBondContact O-N 3.3Å; E276-L279 PolarHBondContact O-N 3.37Å; L277-L279 VanDerWaalsContact C-N 3.35Å; L279-I281 PolarHBondContact O-N 3.05Å; L279-A282 PolarHBondContact O-N 3.32Å; L279-L283 HydrophobicContact CD1-CD1 4.47Å; L279-L283 HydrophobicContact CD1-CG 4.41Å; L279-L283 HydrophobicContact CG-CD1 4.15Å; L279-L283 WeakPolarHBondContact O-CB 3.2Å; L279-L283 VanDerWaalsContact O-CG 3.24Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.11Å; L279-M518 HydrophobicContact CD1-CE 4.35Å
280A70.2Confident67.1Low53 Ų5396.7 Ų96.744%0.43851%0.512SS..Hα-helixtrans-61.5-40.217800000112.7E276 L277 L283 S284E276-A280 WeakPolarHBondContact O-CB 3.41Å; E276-A280 PolarHBondContact O-N 2.93Å; L277-A280 PolarHBondContact O-N 2.77Å; A280-L283 PolarHBondContact O-N 3.17Å; A280-S284 WeakPolarHBondContact O-CB 3.4Å; A280-S284 PolarHBondContact O-N 2.92Å
281I74.1Confident67.6Low92 Ų92101.1 Ų101.147%0.47253%0.525SS..Hα-helixtrans-64-46.4174.9-67.8164.3000110.9L277 L279 L283 S284 Q285L277-I281 HydrophobicContact CD1-CD1 4.48Å; L277-I281 HydrophobicContact CG-CD1 4.22Å; L277-I281 WeakPolarHBondContact O-CG1 3.3Å; L277-I281 PolarHBondContact O-N 3.46Å; L279-I281 PolarHBondContact O-N 3.05Å; I281-L283 VanDerWaalsContact C-N 3.31Å; I281-L283 PolarHBondContact O-N 3.06Å; I281-S284 PolarHBondContact O-N 3.04Å; I281-Q285 PolarHBondContact O-N 3.33Å
282A72Confident67.9Low53 Ų53102.7 Ų102.744%0.43853%0.53SS..Hα-helixtrans-62.6-37.9177.700000112.4Q278 L279 S286Q278-A282 PolarHBondContact O-N 2.89Å; Q278-A282 VanDerWaalsContact O-N 3.12Å; L279-A282 PolarHBondContact O-N 3.32Å; A282-S286 PolarHBondContact O-N 2.91Å; A282-S286 PolarHBondContact O-OG 3.38Å
283L58.9Low68.1Low59 Ų59105.5 Ų105.531%0.30953%0.534SS..Hα-helixtrans-63-48.6173.7-71.4173000111.6L279 A280 I281 Q285 S286 E287 K522L279-L283 HydrophobicContact CD1-CD1 4.47Å; L279-L283 HydrophobicContact CD1-CG 4.41Å; L279-L283 HydrophobicContact CG-CD1 4.15Å; L279-L283 WeakPolarHBondContact O-CB 3.2Å; L279-L283 VanDerWaalsContact O-CG 3.24Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.11Å; A280-L283 PolarHBondContact O-N 3.17Å; I281-L283 VanDerWaalsContact C-N 3.31Å; I281-L283 PolarHBondContact O-N 3.06Å; L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 2.74Å; L283-S286 PolarHBondContact O-N 2.9Å; L283-S286 VanDerWaalsContact O-N 3.16Å; L283-S286 PolarHBondContact O-OG 2.77Å; L283-E287 PolarHBondContact O-N 2.8Å; L283-K522 HydrophobicContact CD2-CD 3.8Å
284S74Confident68Low80 Ų80105 Ų10556%0.55953%0.534SS*.Hα-helixtrans-61-40.1178.9-173.10000112.5A280 I281 A288A280-S284 WeakPolarHBondContact O-CB 3.4Å; A280-S284 PolarHBondContact O-N 2.92Å; I281-S284 PolarHBondContact O-N 3.04Å; S284-A288 WeakPolarHBondContact O-CB 3.31Å; S284-A288 PolarHBondContact O-N 3.06Å; S284-A288 VanDerWaalsContact O-N 3.08Å
285Q67.8Low68Low132 Ų132110.4 Ų110.462%0.61755%0.55SS**Hα-helixtrans-63.2-45.4172.8-73.2-176.9-6.600112I281 L283 E287 A288 E289I281-Q285 PolarHBondContact O-N 3.33Å; L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 2.74Å; Q285-E287 PolarHBondContact O-N 2.65Å; Q285-A288 PolarHBondContact O-N 2.69Å; Q285-E289 WeakPolarHBondContact O-CB 3.49Å; Q285-E289 PolarHBondContact O-N 2.66Å
286S66.6Low67.5Low57 Ų57111.6 Ų111.640%0.39956%0.556SS.*Hα-helixtrans-64-36.8179.768.80000113.5A282 L283 E290A282-S286 PolarHBondContact O-N 2.91Å; A282-S286 PolarHBondContact O-OG 3.38Å; L283-S286 PolarHBondContact O-N 2.9Å; L283-S286 VanDerWaalsContact O-N 3.16Å; L283-S286 PolarHBondContact O-OG 2.77Å; S286-E290 WeakPolarHBondContact O-CB 3.31Å; S286-E290 PolarHBondContact O-N 2.66Å; S286-E290 VanDerWaalsContact O-N 3.12Å
287E71.8Confident67Low119 Ų119114.4 Ų114.456%0.55657%0.566SS**Hα-helixtrans-69.2-39.7174.6-164.2-159.9133.400111.2L283 Q285 K291L283-E287 PolarHBondContact O-N 2.8Å; Q285-E287 PolarHBondContact O-N 2.65Å; E287-K291 WeakPolarHBondContact O-CB 3.24Å; E287-K291 PolarHBondContact O-N 3.02Å; E287-K291 IonicContact OE1-NZ 2.77Å; E287-K291 PolarHBondContact OE1-NZ 3.32Å; E287-K291 VanDerWaalsContact OE1-NZ 3.11Å
288A68.8Low65.7Low58 Ų58116.2 Ų116.248%0.47958%0.576SS.*Hα-helixtrans-63.6-45.3177.400000112.2S284 Q285 K291 E292S284-A288 WeakPolarHBondContact O-CB 3.31Å; S284-A288 PolarHBondContact O-N 3.06Å; S284-A288 VanDerWaalsContact O-N 3.08Å; Q285-A288 PolarHBondContact O-N 2.69Å; A288-K291 PolarHBondContact O-N 2.72Å; A288-E292 PolarHBondContact O-N 2.97Å
289E71.7Confident64.7Low142 Ų142113.9 Ų113.966%0.66458%0.576SS**Hα-helixtrans-64.9-42.7179.1-169.6178.2-164.300111.7Q285 K291 E292 R293Q285-E289 WeakPolarHBondContact O-CB 3.49Å; Q285-E289 PolarHBondContact O-N 2.66Å; E289-K291 VanDerWaalsContact C-N 3.32Å; E289-K291 PolarHBondContact O-N 3.05Å; E289-E292 PolarHBondContact O-N 3.24Å; E289-R293 VanDerWaalsContact O-CB 3.29Å; E289-R293 WeakPolarHBondContact O-CB 3.42Å; E289-R293 PolarHBondContact O-N 3.43Å
290E70.4Confident63.5Low135 Ų135120.8 Ų120.863%0.63160%0.598SS**Hα-helixtrans-65.3-35.4175.6-176.4156-132.700112.4S286 R293 M294S286-E290 WeakPolarHBondContact O-CB 3.31Å; S286-E290 PolarHBondContact O-N 2.66Å; S286-E290 VanDerWaalsContact O-N 3.12Å; E290-R293 PolarHBondContact O-N 3.49Å; E290-M294 WeakPolarHBondContact O-CB 3.3Å; E290-M294 WeakPolarHBondContact O-CG 3.38Å; E290-M294 PolarHBondContact O-N 3.01Å
291K70.2Confident62.2Low131 Ų131123.7 Ų123.757%0.5762%0.615SS**Hα-helixtrans-70.6-33.8177.8-162.2174.8-148.9150.90112.6E287 A288 E289 R295E287-K291 WeakPolarHBondContact O-CB 3.24Å; E287-K291 PolarHBondContact O-N 3.02Å; E287-K291 IonicContact OE1-NZ 2.77Å; E287-K291 PolarHBondContact OE1-NZ 3.32Å; E287-K291 VanDerWaalsContact OE1-NZ 3.11Å; A288-K291 PolarHBondContact O-N 2.72Å; E289-K291 VanDerWaalsContact C-N 3.32Å; E289-K291 PolarHBondContact O-N 3.05Å; K291-R295 PolarHBondContact O-N 3.47Å
292E65.3Low60.3Low127 Ų127127.6 Ų127.659%0.59363%0.633SS**Hα-helixtrans-71.7-43169.8-175.3163.4-11100111.8A288 E289 M294 R295 H296A288-E292 PolarHBondContact O-N 2.97Å; E289-E292 PolarHBondContact O-N 3.24Å; E292-M294 VanDerWaalsContact C-N 3.29Å; E292-M294 PolarHBondContact O-N 3.06Å; E292-R295 WeakPolarHBondContact O-CA 3.47Å; E292-R295 WeakPolarHBondContact O-CB 3.32Å; E292-R295 PolarHBondContact O-N 3.34Å; E292-H296 PolarHBondContact O-N 3.06Å
293R66.8Low58.5Low193 Ų193135.8 Ų135.873%0.72865%0.654SS**Hα-helixtrans-61.3-35.9175.9-162.6175.9-174.3-150.74.6112.5E289 E290 H296 K297E289-R293 VanDerWaalsContact O-CB 3.29Å; E289-R293 WeakPolarHBondContact O-CB 3.42Å; E289-R293 PolarHBondContact O-N 3.43Å; E290-R293 PolarHBondContact O-N 3.49Å; R293-H296 PolarHBondContact O-N 3.44Å; R293-K297 WeakPolarHBondContact O-CB 3.39Å; R293-K297 PolarHBondContact O-N 3.29Å
294M61.4Low57.7Low129 Ų129138.6 Ų138.664%0.63568%0.676SS**Hα-helixtrans-66.2-36.5171.4-80.6-72.1-78.300112.9E290 E292 K297E290-M294 WeakPolarHBondContact O-CB 3.3Å; E290-M294 WeakPolarHBondContact O-CG 3.38Å; E290-M294 PolarHBondContact O-N 3.01Å; E292-M294 VanDerWaalsContact C-N 3.29Å; E292-M294 PolarHBondContact O-N 3.06Å; M294-K297 PolarHBondContact O-N 2.93Å
295R64.1Low55.9Low200 Ų200144.5 Ų144.576%0.75569%0.692SS**Hα-helixtrans-63.5-49.1171.1-78.2174.9153.7-173.9-6.6111.4K291 E292 K297 N298K291-R295 PolarHBondContact O-N 3.47Å; E292-R295 WeakPolarHBondContact O-CA 3.47Å; E292-R295 WeakPolarHBondContact O-CB 3.32Å; E292-R295 PolarHBondContact O-N 3.34Å; R295-K297 PolarHBondContact O-N 2.57Å; R295-N298 PolarHBondContact O-N 2.81Å; R295-N298 VanDerWaalsContact O-N 3.11Å
296H56.2Low54.1Low140 Ų140142.9 Ų142.965%0.64870%0.701SS**Hα-helixtrans-60.9-30.8178.5-106-88000113.5E292 R293 N298 S299E292-H296 PolarHBondContact O-N 3.06Å; R293-H296 PolarHBondContact O-N 3.44Å; H296-N298 VanDerWaalsContact C-N 3.29Å; H296-N298 PolarHBondContact O-N 3.48Å; H296-S299 PolarHBondContact O-OG 3.46Å; H296-S299 VanDerWaalsContact O-OG 3.07Å
297K53.3Low52.4Low175 Ų175147.2 Ų147.276%0.76172%0.72SS**Hα-helixtrans-75.1-17178.3-160.1166.6-175.6177.70113.7R293 M294 R295R293-K297 WeakPolarHBondContact O-CB 3.39Å; R293-K297 PolarHBondContact O-N 3.29Å; M294-K297 PolarHBondContact O-N 2.93Å; R295-K297 PolarHBondContact O-N 2.57Å
298N41.5Very low50.9Low147 Ų147147.4 Ų147.479%0.78673%0.731SS**THydrogen-bonded Turntrans-91.3-4.5-178.8-159.486.8000113.8R295 H296R295-N298 PolarHBondContact O-N 2.81Å; R295-N298 VanDerWaalsContact O-N 3.11Å; H296-N298 VanDerWaalsContact C-N 3.29Å; H296-N298 PolarHBondContact O-N 3.48Å
299S46.5Very low49.1Very low93 Ų93151.2 Ų151.265%0.6575%0.749SS**SBendtrans-99.6-4.2-178.455.80000115H296H296-S299 PolarHBondContact O-OG 3.46Å; H296-S299 VanDerWaalsContact O-OG 3.07Å
300Y42.3Very low47.7Very low221 Ų221150.3 Ų150.387%0.86776%0.755SS**  trans-120.566.7-175.1-157.8-93.6000112.6
301S42.5Very low45.8Very low114 Ų114150.5 Ų150.580%0.79777%0.766SS**  trans-156.366.5171.2-162.80000112.6
302M34.1Very low43.9Very low174 Ų174150.2 Ų150.286%0.85778%0.775SS**  trans-161.898.1163.5-107.3-60.7163.400110.4
303Y33.7Very low42.3Very low225 Ų225149.3 Ų149.388%0.88278%0.782SS**  trans175.3139.4136.7-102.2-70.7000109.6
304P42.2Very low40.6Very low118 Ų118145.9 Ų145.977%0.76679%0.788SS**  trans-80.7156.2-177.2-12.730.4000113.8
305K36Very low39.1Very low204 Ų204144.3 Ų144.389%0.88780%0.795SS**  trans-77158.1169.1-67.4-174.8176.6-174.80112
306A31.6Very low38.4Very low99 Ų99140.3 Ų140.382%0.81880%0.796SS**  trans-129.9143.4157.300000108.9
307D30.4Very low37.6Very low148 Ų148139.2 Ų139.279%0.79180%0.801SS**  trans-91.9152.4-172-62.2-65.3000113.5
308P38.9Very low36.4Very low122 Ų122137.1 Ų137.179%0.79280%0.802SS**  trans-88.9156.2176.335.8-34.9000113.2
309T31.4Very low35.8Very low139 Ų139134.9 Ų134.985%0.85380%0.798SS**  trans-123.5155.317152.10000112.2
310P42.1Very low35Very low122 Ų122136.3 Ų136.379%0.79280%0.803SS**  trans-115.3151.5-161.139.6-30.1000115.8
311V31.4Very low34.3Very low140 Ų140133.4 Ų133.485%0.84880%0.802SS**  trans-143.1107.6168-89.60000114.6
312T29.9Very low33.7Very low125 Ų125138.5 Ų138.577%0.76781%0.805SS**  trans9.3116.6144.21730000122.7
313S31.3Very low33.5Very low107 Ų107135.8 Ų135.875%0.74880%0.799SS**  49.1122.6120.8-159.50000123.2
314S31.2Very low33.3Very low122 Ų122129.5 Ų129.585%0.85379%0.787SS**  -174.9163.1125.7-79.80000111.6
315A31.1Very low32.9Very low95 Ų95129.8 Ų129.879%0.78579%0.789SS**  trans-143.7-173.5-176.200000112.3
316P48.4Very low32.7Very low117 Ų117127 Ų12776%0.7679%0.789SS**  -111.4-178.1-85.940.5-28.8000112.7
317P40Very low32.4Very low116 Ų116129.5 Ų129.575%0.75379%0.789SS**  -152.3144.499.737.9-19.9000118.2
318V28.7Very low32.4Very low131 Ų131127.3 Ų127.379%0.79479%0.785SS**  trans40.6125.5133.5-172.20000122.4
319S28.8Very low32Very low100 Ų100127.3 Ų127.370%0.69979%0.788SS**  trans87.4136.5150.3-810000122.8
320T28.1Very low32.1Very low124 Ų124125.4 Ų125.476%0.76179%0.786SS**  trans51.6115.5157.3500000117.4
321L27.5Very low31.6Very low159 Ų159125.5 Ų125.583%0.83279%0.787SS**  -157.6154.769.4-85.2164000111.8
322Y29.9Very low31.6Very low222 Ų222122.9 Ų122.987%0.87177%0.774SS**  trans-114.594.2172.4-153.3-80.7000110.1
323T30Very low32Very low117 Ų117121.5 Ų121.572%0.71878%0.776SS**  trans-139.2115.9175.5-47.50000109.5
324S29.4Very low32.6Very low92 Ų92124.1 Ų124.164%0.64378%0.776SS**PPolyproline II helixtrans-86.1145.4177.3-48.50000112
325P33.8Very low33.2Very low124 Ų124127.7 Ų127.781%0.80578%0.78SS**PPolyproline II helixtrans-103137.7146.233.7-27.1000110.2
326V32.6Very low33.7Very low146 Ų146127 Ų12789%0.88577%0.766SS**PPolyproline II helixtrans-84.9129.5172.4-79.70000110.9
327N25.4Very low34Very low152 Ų152125.9 Ų125.981%0.81375%0.753SS**  trans-153.8149.6133.1-157.68.5000112.6
328S31.2Very low35Very low101 Ų101124.6 Ų124.671%0.70675%0.745SS**  trans-49.4127178.7-37.10000115.2
329S30Very low36.3Very low123 Ų123125 Ų12586%0.8674%0.738SS**  trans-169.4115.2133.6-800000109
330A33Very low37.4Very low98 Ų98124.5 Ų124.581%0.8173%0.727SS**PPolyproline II helixtrans-85133.4169.100000109.1
331P31.5Very low38.8Very low124 Ų124120.9 Ų120.981%0.80571%0.71SS**PPolyproline II helixtrans-65.4152.716929-33.7000110.5
332S32.7Very low40.3Very low85 Ų85120.9 Ų120.959%0.59470%0.699SS**PPolyproline II helixtrans-70.3152.9-178.956.70000112.2E334S332-E334 WeakPolarHBondContact CB-OE2 3.31Å; S332-E334 PolarHBondContact O-N 3.35Å; S332-E334 PolarHBondContact OG-OE2 3.38Å
333A37.2Very low41.3Very low96 Ų96118 Ų11879%0.79369%0.687SS**THydrogen-bonded Turntrans-81.254.7-176.800000112.4
334E43.2Very low42.1Very low162 Ų162118.5 Ų118.576%0.75769%0.685SS**THydrogen-bonded Turntrans-116.9-7.3-173.6-70.2169.6117.400113.8S332S332-E334 WeakPolarHBondContact CB-OE2 3.31Å; S332-E334 PolarHBondContact O-N 3.35Å; S332-E334 PolarHBondContact OG-OE2 3.38Å
335E44.4Very low43.7Very low198 Ų198117.4 Ų117.493%0.92567%0.672SS**SBendtrans-113.472.9168.1-68-166.9133.100111.2
336V42.1Very low44.8Very low81 Ų81120.2 Ų120.249%0.49167%0.666SS.*  trans-132.3129.3172.3-174.60000110.5A341V336-A341 HydrophobicContact CG1-CB 4.19Å
337D53.3Low46.5Very low93 Ų93117.7 Ų117.750%0.49765%0.652SS.*  trans-54.8126.6173.2178.6-13.5000111.2E339 L340 A341D337-E339 PolarHBondContact O-N 3.38Å; D337-E339 VanDerWaalsContact O-N 3.11Å; D337-E339 WeakPolarHBondContact OD1-CB 3.17Å; D337-E339 PolarHBondContact OD1-N 2.81Å; D337-L340 HydrophobicContact CB-CB 4.1Å; D337-L340 PolarHBondContact O-N 2.95Å; D337-L340 VanDerWaalsContact O-N 3.08Å; D337-A341 PolarHBondContact O-N 3.33Å
338P62.4Low48.3Very low89 Ų89115.8 Ų115.858%0.57863%0.634SS**THydrogen-bonded Turntrans-63.4-12.4179.827.1-36.3000114.7R342P338-R342 WeakPolarHBondContact O-CG 3.09Å
339E54.8Low50Low138 Ų138115.8 Ų115.865%0.64562%0.618SS**THydrogen-bonded Turntrans-81-46.9168.2-173.5156-156.800111.8D337 A341 R342 Y343D337-E339 PolarHBondContact O-N 3.38Å; D337-E339 VanDerWaalsContact O-N 3.11Å; D337-E339 WeakPolarHBondContact OD1-CB 3.17Å; D337-E339 PolarHBondContact OD1-N 2.81Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3.01Å; E339-R342 WeakPolarHBondContact O-CB 3.47Å; E339-R342 PolarHBondContact O-N 2.81Å; E339-R342 VanDerWaalsContact O-N 3.08Å; E339-Y343 PolarHBondContact O-N 3.28Å
340L52.1Low51.6Low91 Ų91114.1 Ų114.148%0.47660%0.597SS.*Hα-helixtrans-62.1-38.5176.9-176.658.9000112D337 R342 Y343 L344D337-L340 HydrophobicContact CB-CB 4.1Å; D337-L340 PolarHBondContact O-N 2.95Å; D337-L340 VanDerWaalsContact O-N 3.08Å; L340-R342 PolarHBondContact O-N 3.34Å; L340-Y343 PolarHBondContact O-N 3.45Å; L340-Y343 VanDerWaalsContact O-N 3.11Å; L340-L344 HydrophobicContact CD1-CD1 4.08Å; L340-L344 HydrophobicContact CD1-CG 4.12Å; L340-L344 HydrophobicContact CG-CD1 3.91Å; L340-L344 HydrophobicContact CG-CG 4.38Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 2.96Å
341A57.5Low53.4Low48 Ų48116 Ų11640%0.39759%0.587SS.*Hα-helixtrans-60.2-30.4174.800000113.3V336 D337 E339V336-A341 HydrophobicContact CG1-CB 4.19Å; D337-A341 PolarHBondContact O-N 3.33Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3.01Å
342R59.6Low54.9Low159 Ų159115 Ų11560%0.657%0.57SS**Hα-helixtrans-76-39.5172.9-65.9173.1-170.1129.42.7111.7P338 E339 L340 N345P338-R342 WeakPolarHBondContact O-CG 3.09Å; E339-R342 WeakPolarHBondContact O-CB 3.47Å; E339-R342 PolarHBondContact O-N 2.81Å; E339-R342 VanDerWaalsContact O-N 3.08Å; L340-R342 PolarHBondContact O-N 3.34Å; R342-N345 WeakPolarHBondContact O-CB 3.38Å; R342-N345 PolarHBondContact O-N 2.89Å
343Y51.7Low55.9Low160 Ų160116.2 Ų116.263%0.62757%0.566SS**Hα-helixtrans-68.6-36.7-177.3-154-87.5000112.5E339 L340 N345 W349E339-Y343 PolarHBondContact O-N 3.28Å; L340-Y343 PolarHBondContact O-N 3.45Å; L340-Y343 VanDerWaalsContact O-N 3.11Å; Y343-N345 VanDerWaalsContact C-N 3.28Å; Y343-N345 PolarHBondContact O-N 3.38Å; Y343-W349 HydrophobicContact CD2-CZ2 4.41Å; Y343-W349 AromaticContact CE2-CZ2 3.96Å; Y343-W349 HydrophobicContact CE2-CZ2 3.96Å; Y343-W349 PolarHBondContact O-NE1 3.2Å
344L47Very low56.7Low129 Ų129115.1 Ų115.168%0.67555%0.545SS*.THydrogen-bonded Turntrans-76.9-8.1175-66172.9000113.8L340 R346L340-L344 HydrophobicContact CD1-CD1 4.08Å; L340-L344 HydrophobicContact CD1-CG 4.12Å; L340-L344 HydrophobicContact CG-CD1 3.91Å; L340-L344 HydrophobicContact CG-CG 4.38Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 2.96Å; L344-R346 PolarHBondContact O-N 3.3Å; L344-R346 VanDerWaalsContact O-N 3.1Å
345N61.5Low57.2Low69 Ų69111.2 Ų111.237%0.36953%0.529SS..  trans-76.6102.7-175.3-168.7-84.4000111.6R342 Y343 T347 Y348 W349R342-N345 WeakPolarHBondContact O-CB 3.38Å; R342-N345 PolarHBondContact O-N 2.89Å; Y343-N345 VanDerWaalsContact C-N 3.28Å; Y343-N345 PolarHBondContact O-N 3.38Å; N345-T347 VanDerWaalsContact C-N 3.33Å; N345-T347 PolarHBondContact O-N 3.01Å; N345-T347 PolarHBondContact OD1-N 2.84Å; N345-T347 PolarHBondContact OD1-OG1 3.19Å; N345-Y348 WeakPolarHBondContact O-CB 3.48Å; N345-Y348 PolarHBondContact O-N 3.3Å; N345-Y348 WeakPolarHBondContact OD1-CB 3.49Å; N345-Y348 PolarHBondContact OD1-N 2.62Å; N345-W349 PolarHBondContact O-N 3.06Å
346R57.4Low57.6Low183 Ų183105.3 Ų105.369%0.69151%0.514SS*.Hα-helixtrans-51.9-47.5179.3-176.970.3-176-137.6-3.6113L344 Y348 W349 E350L344-R346 PolarHBondContact O-N 3.3Å; L344-R346 VanDerWaalsContact O-N 3.1Å; R346-Y348 PolarHBondContact O-N 3.36Å; R346-W349 PolarHBondContact O-N 2.85Å; R346-E350 IonicContact CZ-OE1 3.86Å; R346-E350 VanDerWaalsContact CZ-OE1 3.31Å; R346-E350 IonicContact NE-OE1 3.41Å; R346-E350 PolarHBondContact NE-OE1 2.87Å; R346-E350 IonicContact NH2-OE1 2.68Å; R346-E350 PolarHBondContact NH2-OE1 3.14Å; R346-E350 PolarHBondContact O-N 3.34Å
347T67.9Low58.1Low93 Ų93110.1 Ų110.157%0.57152%0.523SS*.Hα-helixtrans-70.2-27.1-17729.90000113.4N345 K351N345-T347 VanDerWaalsContact C-N 3.33Å; N345-T347 PolarHBondContact O-N 3.01Å; N345-T347 PolarHBondContact OD1-N 2.84Å; N345-T347 PolarHBondContact OD1-OG1 3.19Å; T347-K351 WeakPolarHBondContact O-CB 3.3Å; T347-K351 PolarHBondContact O-N 2.9Å
348Y63.5Low57.5Low111 Ų111110.7 Ų110.744%0.43552%0.521SS..Hα-helixtrans-64.5-45.5171.2169.7-111.7000111.6N345 R346 K351 K352N345-Y348 WeakPolarHBondContact O-CB 3.48Å; N345-Y348 PolarHBondContact O-N 3.3Å; N345-Y348 WeakPolarHBondContact OD1-CB 3.49Å; N345-Y348 PolarHBondContact OD1-N 2.62Å; R346-Y348 PolarHBondContact O-N 3.36Å; Y348-K351 PolarHBondContact O-N 3.14Å; Y348-K352 VanDerWaalsContact O-CB 3.3Å; Y348-K352 WeakPolarHBondContact O-CB 3.32Å; Y348-K352 PolarHBondContact O-N 3.34Å
349W66.3Low56.1Low101 Ų101110.1 Ų110.138%0.38352%0.52SS..Hα-helixtrans-70.4-38.2177.2-76.8108.7000113.2Y343 N345 R346 K352 Q353Y343-W349 HydrophobicContact CD2-CZ2 4.41Å; Y343-W349 AromaticContact CE2-CZ2 3.96Å; Y343-W349 HydrophobicContact CE2-CZ2 3.96Å; Y343-W349 PolarHBondContact O-NE1 3.2Å; N345-W349 PolarHBondContact O-N 3.06Å; R346-W349 PolarHBondContact O-N 2.85Å; W349-K352 HydrophobicContact CE3-CD 4.19Å; W349-K352 HydrophobicContact CZ3-CD 4.06Å; W349-K352 PolarHBondContact O-N 3.3Å; W349-Q353 PolarHBondContact O-N 3.08Å
350E64.4Low55.5Low89 Ų89109.5 Ų109.542%0.41653%0.527SS..Hα-helixtrans-65.7-41174.2-72.8172.316800111.4R346 Q353 E354R346-E350 IonicContact CZ-OE1 3.86Å; R346-E350 VanDerWaalsContact CZ-OE1 3.31Å; R346-E350 IonicContact NE-OE1 3.41Å; R346-E350 PolarHBondContact NE-OE1 2.87Å; R346-E350 IonicContact NH2-OE1 2.68Å; R346-E350 PolarHBondContact NH2-OE1 3.14Å; R346-E350 PolarHBondContact O-N 3.34Å; E350-Q353 PolarHBondContact O-N 3.18Å; E350-E354 PolarHBondContact O-N 3.34Å
351K70.7Confident54.7Low137 Ų137111.1 Ų111.160%0.59654%0.541SS*.Hα-helixtrans-63.9-41.5172.2-173.3171.9-179178.70112.2T347 Y348 Q353 E354 D355T347-K351 WeakPolarHBondContact O-CB 3.3Å; T347-K351 PolarHBondContact O-N 2.9Å; Y348-K351 PolarHBondContact O-N 3.14Å; K351-Q353 VanDerWaalsContact C-N 3.31Å; K351-Q353 PolarHBondContact O-N 3.15Å; K351-E354 WeakPolarHBondContact O-CB 3.27Å; K351-E354 PolarHBondContact O-N 3.49Å; K351-E354 VanDerWaalsContact O-N 3.11Å; K351-D355 PolarHBondContact O-N 3.3Å
352K63Low53.7Low103 Ų103114.3 Ų114.345%0.44856%0.558SS.*Hα-helixtrans-64.1-34.1176.3-168.8168.9-177.7172.60112.4Y348 W349 A356Y348-K352 VanDerWaalsContact O-CB 3.3Å; Y348-K352 WeakPolarHBondContact O-CB 3.32Å; Y348-K352 PolarHBondContact O-N 3.34Å; W349-K352 HydrophobicContact CE3-CD 4.19Å; W349-K352 HydrophobicContact CZ3-CD 4.06Å; W349-K352 PolarHBondContact O-N 3.3Å; K352-A356 WeakPolarHBondContact O-CB 3.23Å; K352-A356 PolarHBondContact O-N 3.32Å
353Q53.7Low52.6Low111 Ų111112.7 Ų112.752%0.51957%0.571SS.*Hα-helixtrans-71.1-37.8169.2-77.2-15936.600113.1W349 E350 K351 R357W349-Q353 PolarHBondContact O-N 3.08Å; E350-Q353 PolarHBondContact O-N 3.18Å; K351-Q353 VanDerWaalsContact C-N 3.31Å; K351-Q353 PolarHBondContact O-N 3.15Å; Q353-R357 VanDerWaalsContact O-CG 3.22Å; Q353-R357 WeakPolarHBondContact O-CG 3.3Å; Q353-R357 PolarHBondContact O-N 3.03Å; Q353-R357 VanDerWaalsContact O-N 3.16Å; Q353-R357 VanDerWaalsContact OE1-NH2 3.11Å
354E53.5Low51.5Low73 Ų73109.4 Ų109.434%0.34158%0.577SS.*Hα-helixtrans-61.8-46174.1-93.8-114.990.100112R230 E350 K351 R357 K358R230-E354 IonicContact CZ-OE1 3.2Å; R230-E354 IonicContact NH2-OE1 2.81Å; R230-E354 PolarHBondContact NH2-OE1 3.09Å; E350-E354 PolarHBondContact O-N 3.34Å; K351-E354 WeakPolarHBondContact O-CB 3.27Å; K351-E354 PolarHBondContact O-N 3.49Å; K351-E354 VanDerWaalsContact O-N 3.11Å; E354-R357 CarbonylContact O-C 3.4Å; E354-R357 WeakPolarHBondContact O-CA 3.35Å; E354-R357 WeakPolarHBondContact O-CB 3.22Å; E354-R357 PolarHBondContact O-N 3.46Å; E354-K358 VanDerWaalsContact CD-CE 3.41Å; E354-K358 WeakPolarHBondContact O-CD 3.34Å; E354-K358 WeakPolarHBondContact O-CG 3.25Å; E354-K358 PolarHBondContact O-N 2.9Å; E354-K358 VanDerWaalsContact O-N 3.12Å; E354-K358 WeakPolarHBondContact OE1-CE 3.42Å; E354-K358 IonicContact OE1-NZ 2.69Å; E354-K358 PolarHBondContact OE1-NZ 2.91Å; E354-K358 WeakPolarHBondContact OE2-CE 3.49Å; E354-K358 IonicContact OE2-NZ 2.66Å; E354-K358 PolarHBondContact OE2-NZ 3.3Å
355D54.2Low50.9Low79 Ų79109.3 Ų109.342%0.42258%0.584SS.*Hα-helixtrans-68.9-38.1-178.3-65.8-23.1000111.1K351 R357 K358 S359K351-D355 PolarHBondContact O-N 3.3Å; D355-R357 PolarHBondContact O-N 3.24Å; D355-K358 PolarHBondContact O-N 3.29Å; D355-S359 PolarHBondContact O-N 2.97Å
356A53.7Low49.6Very low74 Ų74110 Ų11061%0.61260%0.599SS**Hα-helixtrans-64.4-17.1169.400000114.1K352K352-A356 WeakPolarHBondContact O-CB 3.23Å; K352-A356 PolarHBondContact O-N 3.32Å
357R51.6Low48.5Very low182 Ų182107.4 Ų107.469%0.68761%0.606SS**THydrogen-bonded Turntrans-99.43.2172.1-67.3173.4-164.5-14110.7113.2Q353 E354 D355Q353-R357 VanDerWaalsContact O-CG 3.22Å; Q353-R357 WeakPolarHBondContact O-CG 3.3Å; Q353-R357 PolarHBondContact O-N 3.03Å; Q353-R357 VanDerWaalsContact O-N 3.16Å; Q353-R357 VanDerWaalsContact OE1-NH2 3.11Å; E354-R357 CarbonylContact O-C 3.4Å; E354-R357 WeakPolarHBondContact O-CA 3.35Å; E354-R357 WeakPolarHBondContact O-CB 3.22Å; E354-R357 PolarHBondContact O-N 3.46Å; D355-R357 PolarHBondContact O-N 3.24Å
358K42Very low46.7Very low105 Ų105109.3 Ų109.346%0.45762%0.617SS.*THydrogen-bonded Turntrans-118-12-178.1-73.6168.3-170.6170.70114.1E354 D355 P360E354-K358 VanDerWaalsContact CD-CE 3.41Å; E354-K358 WeakPolarHBondContact O-CD 3.34Å; E354-K358 WeakPolarHBondContact O-CG 3.25Å; E354-K358 PolarHBondContact O-N 2.9Å; E354-K358 VanDerWaalsContact O-N 3.12Å; E354-K358 WeakPolarHBondContact OE1-CE 3.42Å; E354-K358 IonicContact OE1-NZ 2.69Å; E354-K358 PolarHBondContact OE1-NZ 2.91Å; E354-K358 WeakPolarHBondContact OE2-CE 3.49Å; E354-K358 IonicContact OE2-NZ 2.66Å; E354-K358 PolarHBondContact OE2-NZ 3.3Å; D355-K358 PolarHBondContact O-N 3.29Å; K358-P360 WeakPolarHBondContact O-CD 3.36Å
359S32.7Very low45.2Very low78 Ų78109.6 Ų109.655%0.54564%0.635SS.*  trans-69.7119.2176.855.50000112.1D355 T361D355-S359 PolarHBondContact O-N 2.97Å; S359-T361 PolarHBondContact O-N 2.92Å
360P41.4Very low43.4Very low124 Ų124112.5 Ų112.581%0.80566%0.658SS**  trans-79.5112.117531.3-32.2000110.7K358K358-P360 WeakPolarHBondContact O-CD 3.36Å
361T36.3Very low41.8Very low126 Ų126112 Ų11277%0.77367%0.669SS**PPolyproline II helixtrans-72.7126.6173.4-44.70000110.1S359S359-T361 PolarHBondContact O-N 2.92Å
362P36.1Very low39.7Very low115 Ų115113.6 Ų113.675%0.74768%0.678SS**PPolyproline II helixtrans-65.9143.3173.627.9-34000110.8
363S35.3Very low38.8Very low124 Ų124113 Ų11387%0.86769%0.685SS**PPolyproline II helixtrans-70.7133.4-175.8-590000112.6
364A29Very low37.5Very low91 Ų91115.2 Ų115.275%0.75270%0.699SS**PPolyproline II helixtrans-83.9145.8158.500000109.6
365P35.2Very low36.7Very low128 Ų128117 Ų11783%0.83172%0.717SS**PPolyproline II helixtrans-75.5159.9-169.330.2-36.2000114.1
366A33.5Very low36Very low83 Ų83118.3 Ų118.369%0.68673%0.73SS**PPolyproline II helixtrans-69.6148.4177.200000112.7V368A366-V368 PolarHBondContact O-N 3.37Å
367P33.6Very low34.7Very low128 Ų128122.3 Ų122.383%0.83174%0.739SS**PPolyproline II helixtrans-71.4117.8174.529.3-33.6000110.9
368V30.9Very low33.5Very low134 Ų134119 Ų11981%0.81274%0.744SS**PPolyproline II helixtrans-76.4134.7174.9-172.70000109.6A366A366-V368 PolarHBondContact O-N 3.37Å
369S32.5Very low33.1Very low116 Ų116122 Ų12281%0.81176%0.76SS**PPolyproline II helixtrans-88.8129.3173.4-57.50000111.4
370L28.9Very low33.4Very low163 Ų163124.1 Ų124.185%0.85377%0.772SS**  trans-144.6112.3168-101.1167.9000110.9
371A29.1Very low33Very low78 Ų78123.3 Ų123.365%0.64577%0.765SS**  trans-89.8164.7149.500000107
372E27.8Very low32.6Very low171 Ų171126 Ų12680%0.79977%0.768SS**  cis-159.9-14211.1-138-178.387.500107.3
373P44.5Very low32.3Very low90 Ų90125.4 Ų125.458%0.58477%0.767SS**  -117.9-172.1-81.829.1-9.1000115.7
374L25.7Very low31.9Very low158 Ų158128.5 Ų128.583%0.82777%0.767SS**  trans82.8156.4154.2-60.8-169.3000120.8
375P37Very low31.9Very low110 Ų110130.4 Ų130.471%0.71477%0.769SS**  cis-132-142.5-30.840.4-19.4000113.1
376P38.3Very low31.8Very low106 Ų106129.5 Ų129.569%0.68876%0.763SS**  -135.9-168.6-120.537.8-12.3000118.6
377I27.2Very low31.9Very low158 Ų158132.4 Ų132.481%0.8177%0.772SS**  trans65.9142.8166.711.5-178.6000116.6
378S27.1Very low31.8Very low113 Ų113133.5 Ų133.579%0.7977%0.766SS**  cis-145.6167.619.9-69.70000116.7
379Q32.5Very low31.9Very low167 Ų167132 Ų13278%0.7876%0.759SS**  trans-77.4174.8176.8-95.2177.9-1.600114.2V381Q379-V381 HydrophobicContact CB-CG2 4.22Å; Q379-V381 VanDerWaalsContact CD-CG2 3.46Å; Q379-V381 HydrophobicContact CG-CG2 3.84Å
380P39.4Very low31.9Very low124 Ų124132.8 Ų132.881%0.80576%0.759SS**  cis-115.1153.534.118.15.7000115.3
381V32Very low31.8Very low107 Ų107129.5 Ų129.565%0.64875%0.749SS**  cis78.1101.449-179.70000114Q379Q379-V381 HydrophobicContact CB-CG2 4.22Å; Q379-V381 VanDerWaalsContact CD-CG2 3.46Å; Q379-V381 HydrophobicContact CG-CG2 3.84Å
382E29.6Very low32.2Very low182 Ų182132.9 Ų132.985%0.8576%0.755SS**  trans-148.1146.6143.9-140.7177.1162.300111.2
383S28.8Very low32.4Very low103 Ų103129.8 Ų129.872%0.7275%0.748SS**  trans28.8101.5165.845.60000120.8
384H27.8Very low31.9Very low189 Ų189134 Ų13488%0.87576%0.76SS**  trans-68.1140.8159.7-78.4-99.9000112.4
385V29.4Very low32.2Very low130 Ų130133.7 Ų133.779%0.78875%0.754SS**  trans-121.7124.6151.5-178.50000107.9V387V385-V387 PolarHBondContact O-N 3.26Å
386P33.1Very low32.1Very low109 Ų109132.5 Ų132.571%0.70875%0.746SS**  trans-72.1120.2-178.2-16.830.9000111.9Q388P386-Q388 PolarHBondContact O-N 3.04Å
387V35.7Very low32.1Very low145 Ų145138.2 Ų138.288%0.87976%0.756SS**  trans-73.497.5164-179.50000107.8V385V385-V387 PolarHBondContact O-N 3.26Å
388Q30.1Very low32.8Very low151 Ų151136.3 Ų136.371%0.70674%0.743SS**  trans-55.3142.8168.5-73-79.710.900109.8P386 V390P386-Q388 PolarHBondContact O-N 3.04Å; Q388-V390 PolarHBondContact O-N 2.77Å
389P33.8Very low33.9Very low101 Ų101134 Ų13466%0.65672%0.722SS**  trans-61.3129.116927.4-33.2000109S391P389-S391 VanDerWaalsContact C-N 3.33Å; P389-S391 PolarHBondContact O-N 2.87Å
390V32.1Very low34.8Very low134 Ų134128.5 Ų128.581%0.81271%0.71SS**  trans-65.797.6173.3179.40000107.8Q388 I392Q388-V390 PolarHBondContact O-N 2.77Å; V390-I392 PolarHBondContact O-N 2.82Å; V390-I392 VanDerWaalsContact O-N 3.14Å
391S27.6Very low35.3Very low93 Ų93128.3 Ų128.365%0.6570%0.698SS**  trans-64.7112.4169.3-64.60000107.2P389 V393P389-S391 VanDerWaalsContact C-N 3.33Å; P389-S391 PolarHBondContact O-N 2.87Å; S391-V393 PolarHBondContact O-N 3.04Å
392I37.2Very low36.7Very low150 Ų150125.1 Ų125.177%0.76968%0.681SS**  trans-6989.8163.9-62.1176.1000105.4V390 E394V390-I392 PolarHBondContact O-N 2.82Å; V390-I392 VanDerWaalsContact O-N 3.14Å; I392-E394 HydrophobicContact CG2-CG 4.5Å; I392-E394 PolarHBondContact O-N 2.79Å
393V31.8Very low38.5Very low105 Ų105121.1 Ų121.164%0.63666%0.662SS**  trans-70.2107.5164.1-179.40000105.4S391 Q395S391-V393 PolarHBondContact O-N 3.04Å; V393-Q395 HydrophobicContact CG1-CG 4.25Å; V393-Q395 PolarHBondContact O-N 3.13Å
394E32.8Very low40.7Very low180 Ų180121.9 Ų121.984%0.84166%0.655SS**  trans-65.883.4163.3-69.2-174.5121.300108I392 P396I392-E394 HydrophobicContact CG2-CG 4.5Å; I392-E394 PolarHBondContact O-N 2.79Å; E394-P396 VanDerWaalsContact O-CD 3.32Å; E394-P396 WeakPolarHBondContact O-CD 3.44Å
395Q33.3Very low43.2Very low150 Ų150117.8 Ų117.870%0.70164%0.639SS**  trans-62.1117.2159.5-78.4-73.112.300106.7V393V393-Q395 HydrophobicContact CG1-CG 4.25Å; V393-Q395 PolarHBondContact O-N 3.13Å
396P34.2Very low45.7Very low86 Ų86113.6 Ų113.656%0.55861%0.611SS**  trans-60.2144.317127.2-33.4000108.8E394 Q398E394-P396 VanDerWaalsContact O-CD 3.32Å; E394-P396 WeakPolarHBondContact O-CD 3.44Å; P396-Q398 PolarHBondContact O-N 3.13Å
397Y37.8Very low48.2Very low226 Ų226115 Ų11589%0.88661%0.608SS**  trans-72.369.4-178.4-95.4-91.6000111.9N399Y397-N399 PolarHBondContact O-N 3.07Å; Y397-N399 VanDerWaalsContact O-N 3.16Å
398Q42.2Very low50.6Low118 Ų118113.2 Ų113.255%0.55159%0.59SS**  trans-88.836.2-174.9-152.2156.86.300112.2P396 E401P396-Q398 PolarHBondContact O-N 3.13Å; Q398-E401 WeakPolarHBondContact CG-OE2 3.43Å; Q398-E401 PolarHBondContact NE2-OE2 2.93Å
399N50.7Low53.5Low65 Ų65107.7 Ų107.735%0.34856%0.564SS.*Hα-helixtrans-64.1-42-176.6-99.26.1000112.5Y397 S402 E403Y397-N399 PolarHBondContact O-N 3.07Å; Y397-N399 VanDerWaalsContact O-N 3.16Å; N399-S402 PolarHBondContact O-OG 3.4Å; N399-E403 PolarHBondContact O-N 3.49Å
400G51.8Low56.2Low51 Ų51106.6 Ų106.653%0.52655%0.552SS.*Hα-helixtrans-64.4-46.4-172.800000114.4S402 E403 E404G400-S402 VanDerWaalsContact C-N 3.32Å; G400-S402 PolarHBondContact O-N 3.47Å; G400-E403 PolarHBondContact O-N 3.04Å; G400-E404 PolarHBondContact O-N 3.26Å
401E48.9Very low59Low119 Ų119106.9 Ų106.956%0.55654%0.542SS*.Hα-helixtrans-67.9-30-173.2-62.4-177.4149.600112.8Q398 N405Q398-E401 WeakPolarHBondContact CG-OE2 3.43Å; Q398-E401 PolarHBondContact NE2-OE2 2.93Å; E401-N405 PolarHBondContact O-ND2 2.88Å
402S62Low62Low41 Ų41104.9 Ų104.929%0.28753%0.531SS..Hα-helixtrans-75.6-40.717567.30000112.5N399 G400 N405 H406N399-S402 PolarHBondContact O-OG 3.4Å; G400-S402 VanDerWaalsContact C-N 3.32Å; G400-S402 PolarHBondContact O-N 3.47Å; S402-N405 PolarHBondContact O-N 3.01Å; S402-H406 PolarHBondContact O-CD2 3.08Å; S402-H406 VanDerWaalsContact O-CG 3.28Å; S402-H406 PolarHBondContact O-N 3.13Å
403E67.5Low64.7Low98 Ų9898.7 Ų98.746%0.45850%0.5SS..Hα-helixtrans-70.8-40-178.4-69.3-177.2163.800111.9N399 G400 N405 H406 E407N399-E403 PolarHBondContact O-N 3.49Å; G400-E403 PolarHBondContact O-N 3.04Å; E403-N405 VanDerWaalsContact C-N 3.34Å; E403-N405 PolarHBondContact O-N 3.33Å; E403-H406 PolarHBondContact O-N 3.06Å; E403-H406 VanDerWaalsContact O-N 3.14Å; E403-E407 PolarHBondContact O-N 2.91Å
404E74.9Confident67.6Low119 Ų11999.9 Ų99.956%0.55650%0.498SS*.Hα-helixtrans-62.9-40.3175.5-163.6-174.1158.300111.8G400 H406 E407 Q408G400-E404 PolarHBondContact O-N 3.26Å; E404-H406 VanDerWaalsContact C-N 3.34Å; E404-H406 PolarHBondContact O-N 3.37Å; E404-E407 PolarHBondContact O-N 3.49Å; E404-Q408 VanDerWaalsContact O-CG 3.29Å; E404-Q408 WeakPolarHBondContact O-CG 3.37Å; E404-Q408 PolarHBondContact O-N 2.99Å; E404-Q408 PolarHBondContact OE1-NE2 3.49Å; E404-Q408 VanDerWaalsContact OE1-NE2 3.14Å
405N79.9Confident70.5Confident103 Ų10395.6 Ų95.655%0.55148%0.481SS*.Hα-helixtrans-63.7-38.2174-82.7-59.3000112.2E401 S402 E403 Q408 F409E401-N405 PolarHBondContact O-ND2 2.88Å; S402-N405 PolarHBondContact O-N 3.01Å; E403-N405 VanDerWaalsContact C-N 3.34Å; E403-N405 PolarHBondContact O-N 3.33Å; N405-Q408 PolarHBondContact O-N 3Å; N405-F409 WeakPolarHBondContact O-CB 3.16Å; N405-F409 PolarHBondContact O-N 3.41Å
406H82.4Confident73.3Confident41 Ų4189.1 Ų89.119%0.1945%0.453CS..Hα-helixtrans-67.2-41.4175.2-68.6-172.3000111.8S402 E403 E404 F409 L410S402-H406 PolarHBondContact O-CD2 3.08Å; S402-H406 VanDerWaalsContact O-CG 3.28Å; S402-H406 PolarHBondContact O-N 3.13Å; E403-H406 PolarHBondContact O-N 3.06Å; E403-H406 VanDerWaalsContact O-N 3.14Å; E404-H406 VanDerWaalsContact C-N 3.34Å; E404-H406 PolarHBondContact O-N 3.37Å; H406-F409 PolarHBondContact O-N 2.96Å; H406-L410 WeakPolarHBondContact O-CB 3.4Å; H406-L410 VanDerWaalsContact O-CG 3.27Å; H406-L410 WeakPolarHBondContact O-CG 3.24Å; H406-L410 PolarHBondContact O-N 3.37Å
407E85Confident76.1Confident139 Ų13987.4 Ų87.465%0.6544%0.441SS*.Hα-helixtrans-61.9-44.1173.7-72.5-157.9146.500112.2E403 E404 F409 L410 K411E403-E407 PolarHBondContact O-N 2.91Å; E404-E407 PolarHBondContact O-N 3.49Å; E407-F409 VanDerWaalsContact C-N 3.35Å; E407-F409 PolarHBondContact O-N 2.83Å; E407-L410 PolarHBondContact O-N 2.68Å; E407-K411 WeakPolarHBondContact O-CB 3.3Å; E407-K411 PolarHBondContact O-N 3.38Å
408Q87.2Confident78.8Confident107 Ų10779.7 Ų79.750%0.542%0.418SS..Hα-helixtrans-61.5-42.4177.2-71.3-17835.100111.6E404 N405 A412E404-Q408 VanDerWaalsContact O-CG 3.29Å; E404-Q408 WeakPolarHBondContact O-CG 3.37Å; E404-Q408 PolarHBondContact O-N 2.99Å; E404-Q408 PolarHBondContact OE1-NE2 3.49Å; E404-Q408 VanDerWaalsContact OE1-NE2 3.14Å; N405-Q408 PolarHBondContact O-N 3Å; Q408-A412 WeakPolarHBondContact O-CB 3.41Å; Q408-A412 PolarHBondContact O-N 3.46Å
409F90.8Very high81.1Confident36 Ų3677.2 Ų77.216%0.15841%0.411CS..Hα-helixtrans-61.9-50.5173.2169.1-96.4000112.5N405 H406 E407 K411 A412 L413 M450 Q453 L454 I457N405-F409 WeakPolarHBondContact O-CB 3.16Å; N405-F409 PolarHBondContact O-N 3.41Å; H406-F409 PolarHBondContact O-N 2.96Å; E407-F409 VanDerWaalsContact C-N 3.35Å; E407-F409 PolarHBondContact O-N 2.83Å; F409-K411 VanDerWaalsContact C-N 3.27Å; F409-K411 PolarHBondContact O-N 2.82Å; F409-A412 WeakPolarHBondContact O-CB 3.29Å; F409-A412 PolarHBondContact O-N 3.35Å; F409-A412 VanDerWaalsContact O-N 3.11Å; F409-L413 HydrophobicContact CE1-CD2 4.27Å; F409-L413 HydrophobicContact CZ-CD2 4.32Å; F409-L413 PolarHBondContact O-N 2.85Å; F409-M450 HydrophobicContact CE2-CB 3.9Å; F409-M450 HydrophobicContact CE2-CG 3.9Å; F409-M450 HydrophobicContact CE2-SD 4.26Å; F409-M450 HydrophobicContact CZ-CB 4.02Å; F409-M450 WeakPolarHBondContact CZ-O 3.47Å; F409-Q453 HydrophobicContact CE2-CB 3.89Å; F409-Q453 HydrophobicContact CZ-CB 3.73Å; F409-L454 HydrophobicContact CE1-CB 4.24Å; F409-L454 HydrophobicContact CE1-CD1 4.48Å; F409-L454 HydrophobicContact CZ-CB 4.42Å; F409-I457 HydrophobicContact CD1-CD1 3.53Å; F409-I457 HydrophobicContact CE1-CD1 3.79Å; F409-I457 HydrophobicContact CG-CD1 4.26Å
410L89.3Confident83.1Confident78 Ų7875.9 Ų75.941%0.40840%0.402SS..Hα-helixtrans-60.3-38.8180-72.5170.7000111.7H406 E407 L413 Q414 L454H406-L410 WeakPolarHBondContact O-CB 3.4Å; H406-L410 VanDerWaalsContact O-CG 3.27Å; H406-L410 WeakPolarHBondContact O-CG 3.24Å; H406-L410 PolarHBondContact O-N 3.37Å; E407-L410 PolarHBondContact O-N 2.68Å; L410-L413 PolarHBondContact O-N 2.62Å; L410-Q414 VanDerWaalsContact O-CB 3.29Å; L410-Q414 WeakPolarHBondContact O-CB 3.33Å; L410-Q414 PolarHBondContact O-N 3.1Å; L410-L454 HydrophobicContact CD2-CD1 3.64Å
411K91.5Very high85Confident139 Ų13977.2 Ų77.260%0.60440%0.397SS*.Hα-helixtrans-67.3-39.5175-170.1174.3-174.1173.50112.3E407 F409 N415E407-K411 WeakPolarHBondContact O-CB 3.3Å; E407-K411 PolarHBondContact O-N 3.38Å; F409-K411 VanDerWaalsContact C-N 3.27Å; F409-K411 PolarHBondContact O-N 2.82Å; K411-N415 WeakPolarHBondContact O-CB 3.37Å; K411-N415 VanDerWaalsContact O-CG 3.28Å; K411-N415 PolarHBondContact O-N 3.04Å; K411-N415 PolarHBondContact O-ND2 2.94Å
412A91.4Very high87.1Confident51 Ų5175.9 Ų75.942%0.42139%0.393SS..Hα-helixtrans-64.2-45.5173.500000111.6Q408 F409 N415 A416Q408-A412 WeakPolarHBondContact O-CB 3.41Å; Q408-A412 PolarHBondContact O-N 3.46Å; F409-A412 WeakPolarHBondContact O-CB 3.29Å; F409-A412 PolarHBondContact O-N 3.35Å; F409-A412 VanDerWaalsContact O-N 3.11Å; A412-N415 PolarHBondContact O-N 2.89Å; A412-A416 WeakPolarHBondContact O-CB 3.43Å; A412-A416 PolarHBondContact O-N 3.11Å
413L92.7Very high88.3Confident20 Ų2078.7 Ų78.711%0.10540%0.398CS..Hα-helixtrans-62.4-46176.5179.459.2000112F409 L410 N415 A416 V417 M450 L454F409-L413 HydrophobicContact CE1-CD2 4.27Å; F409-L413 HydrophobicContact CZ-CD2 4.32Å; F409-L413 PolarHBondContact O-N 2.85Å; L410-L413 PolarHBondContact O-N 2.62Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 2.92Å; L413-A416 PolarHBondContact O-N 2.77Å; L413-V417 HydrophobicContact CD1-CG2 4.08Å; L413-V417 WeakPolarHBondContact O-CG2 3.34Å; L413-V417 PolarHBondContact O-N 3.18Å; L413-M450 HydrophobicContact CB-SD 4.21Å; L413-M450 HydrophobicContact CD1-CB 4.01Å; L413-M450 HydrophobicContact CD1-CE 3.75Å; L413-M450 HydrophobicContact CD1-SD 4.15Å; L413-L454 HydrophobicContact CD2-CB 4.34Å; L413-L454 HydrophobicContact CD2-CD1 4.36Å; L413-L454 HydrophobicContact CD2-CD2 3.99Å; L413-L454 HydrophobicContact CD2-CG 4.47Å
414Q92.9Very high89.3Confident130 Ų13077 Ų7761%0.60739%0.391SS*.Hα-helixtrans-58.5-43.3175.8-174.5-175.454.500111.7L410 T418L410-Q414 VanDerWaalsContact O-CB 3.29Å; L410-Q414 WeakPolarHBondContact O-CB 3.33Å; L410-Q414 PolarHBondContact O-N 3.1Å; Q414-T418 VanDerWaalsContact O-CB 3.25Å; Q414-T418 WeakPolarHBondContact O-CB 3.38Å; Q414-T418 PolarHBondContact O-N 2.86Å; Q414-T418 PolarHBondContact O-OG1 3.31Å
415N94Very high90Very high91 Ų9177.5 Ų77.549%0.48739%0.391SS..Hα-helixtrans-65.7-40.6176.3-77-41.5000112K411 A412 L413 T419K411-N415 WeakPolarHBondContact O-CB 3.37Å; K411-N415 VanDerWaalsContact O-CG 3.28Å; K411-N415 PolarHBondContact O-N 3.04Å; K411-N415 PolarHBondContact O-ND2 2.94Å; A412-N415 PolarHBondContact O-N 2.89Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 2.92Å; N415-T419 VanDerWaalsContact O-CB 3.31Å; N415-T419 WeakPolarHBondContact O-CB 3.33Å; N415-T419 PolarHBondContact O-N 3.49Å; N415-T419 PolarHBondContact O-OG1 2.97Å
416A91.9Very high90.4Very high13 Ų1375 Ų7511%0.10738%0.381CS..Hα-helixtrans-64.2-49.4177.500000111.8A412 L413 T419 F420 L443 I447 M450A412-A416 WeakPolarHBondContact O-CB 3.43Å; A412-A416 PolarHBondContact O-N 3.11Å; L413-A416 PolarHBondContact O-N 2.77Å; A416-T419 PolarHBondContact O-N 3.32Å; A416-F420 VanDerWaalsContact O-CB 3.3Å; A416-F420 WeakPolarHBondContact O-CB 3.35Å; A416-F420 PolarHBondContact O-N 2.63Å; A416-L443 HydrophobicContact CB-CD2 4.47Å; A416-I447 HydrophobicContact CB-CG1 4.12Å; A416-M450 HydrophobicContact CB-CE 3.81Å
417V93.6Very high90.6Very high50 Ų5073.7 Ų73.730%0.30338%0.376SS..Hα-helixtrans-61.3-44.9176.7172.50000111.3L413 T419 F420 L421 I447L413-V417 HydrophobicContact CD1-CG2 4.08Å; L413-V417 WeakPolarHBondContact O-CG2 3.34Å; L413-V417 PolarHBondContact O-N 3.18Å; V417-T419 PolarHBondContact O-N 2.66Å; V417-F420 PolarHBondContact O-N 3.41Å; V417-L421 HydrophobicContact CG1-CD1 3.95Å; V417-L421 HydrophobicContact CG1-CG 4.43Å; V417-L421 WeakPolarHBondContact O-CB 3.41Å; V417-L421 WeakPolarHBondContact O-CG 3.49Å; V417-L421 PolarHBondContact O-N 3.29Å; V417-I447 HydrophobicContact CG2-CD1 3.96Å; V417-I447 HydrophobicContact CG2-CG1 4.11Å; V417-I447 HydrophobicContact CG2-CG2 4.26Å
418T93.7Very high90.7Very high65 Ų6574 Ų7440%0.39938%0.377SS..Hα-helixtrans-60.9-44.4176.9-58.40000111.5Q414 N422Q414-T418 VanDerWaalsContact O-CB 3.25Å; Q414-T418 WeakPolarHBondContact O-CB 3.38Å; Q414-T418 PolarHBondContact O-N 2.86Å; Q414-T418 PolarHBondContact O-OG1 3.31Å; T418-N422 WeakPolarHBondContact O-CB 3.33Å; T418-N422 VanDerWaalsContact O-CG 3.23Å; T418-N422 PolarHBondContact O-N 3.16Å; T418-N422 PolarHBondContact O-ND2 3.35Å
419T91.8Very high90.7Very high66 Ų6676.6 Ų76.641%0.40539%0.391SS..Hα-helixtrans-65.2-42.7177.8-56.40000111.7N415 A416 V417 N422 R423 L443N415-T419 VanDerWaalsContact O-CB 3.31Å; N415-T419 WeakPolarHBondContact O-CB 3.33Å; N415-T419 PolarHBondContact O-N 3.49Å; N415-T419 PolarHBondContact O-OG1 2.97Å; A416-T419 PolarHBondContact O-N 3.32Å; V417-T419 PolarHBondContact O-N 2.66Å; T419-N422 PolarHBondContact O-N 2.87Å; T419-R423 WeakPolarHBondContact O-CG 3.38Å; T419-R423 PolarHBondContact O-N 3.5Å; T419-L443 HydrophobicContact CG2-CD1 3.83Å
420F92.9Very high90.6Very high36 Ų3682.1 Ų82.116%0.15841%0.411CS..Hα-helixtrans-59.1-51.8176.3176.3-104.7000111.7A416 V417 N422 R423 M424 V440 L443 F444 I447A416-F420 VanDerWaalsContact O-CB 3.3Å; A416-F420 WeakPolarHBondContact O-CB 3.35Å; A416-F420 PolarHBondContact O-N 2.63Å; V417-F420 PolarHBondContact O-N 3.41Å; F420-N422 VanDerWaalsContact C-N 3.33Å; F420-N422 PolarHBondContact O-N 2.89Å; F420-R423 PolarHBondContact O-N 3.49Å; F420-M424 HydrophobicContact CD1-SD 4.09Å; F420-M424 HydrophobicContact CE1-CG 4.47Å; F420-M424 HydrophobicContact CE1-SD 3.42Å; F420-M424 WeakPolarHBondContact CE1-SD 3.46Å; F420-M424 HydrophobicContact CE2-CG 4.5Å; F420-M424 HydrophobicContact CE2-SD 4.19Å; F420-M424 HydrophobicContact CZ-CG 4.34Å; F420-M424 HydrophobicContact CZ-SD 3.48Å; F420-M424 WeakPolarHBondContact CZ-SD 3.29Å; F420-M424 PolarHBondContact O-N 2.94Å; F420-V440 HydrophobicContact CD2-CG1 3.96Å; F420-V440 HydrophobicContact CE2-CG1 3.52Å; F420-V440 HydrophobicContact CZ-CG1 4.41Å; F420-L443 HydrophobicContact CB-CB 4.16Å; F420-L443 HydrophobicContact CB-CD1 4.36Å; F420-L443 HydrophobicContact CD2-CB 3.87Å; F420-L443 HydrophobicContact CG-CB 4.48Å; F420-F444 HydrophobicContact CE2-CB 3.84Å; F420-F444 HydrophobicContact CE2-CD2 4.38Å; F420-F444 HydrophobicContact CZ-CB 4.39Å; F420-F444 HydrophobicContact CZ-CD2 4.09Å; F420-I447 HydrophobicContact CB-CD1 3.72Å; F420-I447 HydrophobicContact CD1-CD1 4.17Å; F420-I447 HydrophobicContact CD2-CD1 4.4Å; F420-I447 HydrophobicContact CG-CD1 3.86Å
421L91.9Very high90.3Very high80 Ų8082.1 Ų82.142%0.41943%0.429SS..Hα-helixtrans-59.7-41176.8-70.7171.7000112.2V417 M424 K425V417-L421 HydrophobicContact CG1-CD1 3.95Å; V417-L421 HydrophobicContact CG1-CG 4.43Å; V417-L421 WeakPolarHBondContact O-CB 3.41Å; V417-L421 WeakPolarHBondContact O-CG 3.49Å; V417-L421 PolarHBondContact O-N 3.29Å; L421-M424 PolarHBondContact O-N 3.26Å; L421-K425 WeakPolarHBondContact O-CB 3.36Å; L421-K425 VanDerWaalsContact O-CG 3.28Å; L421-K425 WeakPolarHBondContact O-CG 3.32Å; L421-K425 PolarHBondContact O-N 3.4Å
422N91.6Very high89.9Confident91 Ų9182.1 Ų82.149%0.48743%0.425SS..Hα-helixtrans-69.1-37.9178.7-72.5-19.9000112.5T418 T419 F420 S426T418-N422 WeakPolarHBondContact O-CB 3.33Å; T418-N422 VanDerWaalsContact O-CG 3.23Å; T418-N422 PolarHBondContact O-N 3.16Å; T418-N422 PolarHBondContact O-ND2 3.35Å; T419-N422 PolarHBondContact O-N 2.87Å; F420-N422 VanDerWaalsContact C-N 3.33Å; F420-N422 PolarHBondContact O-N 2.89Å; N422-S426 WeakPolarHBondContact O-CB 3.45Å; N422-S426 PolarHBondContact O-N 2.9Å
423R88.1Confident89.3Confident100 Ų10082.8 Ų82.838%0.37743%0.427SS..Hα-helixtrans-69-40.8173.2-69.7-171.980.5119.3-3112.4T419 F420 S426 N427 D437 V440T419-R423 WeakPolarHBondContact O-CG 3.38Å; T419-R423 PolarHBondContact O-N 3.5Å; F420-R423 PolarHBondContact O-N 3.49Å; R423-S426 PolarHBondContact O-N 3.38Å; R423-N427 PolarHBondContact O-N 2.75Å; R423-N427 PolarHBondContact O-ND2 3.42Å; R423-D437 IonicContact CZ-OD1 3.72Å; R423-D437 IonicContact CZ-OD2 3.82Å; R423-D437 IonicContact NE-OD1 3.2Å; R423-D437 IonicContact NE-OD2 3.82Å; R423-D437 PolarHBondContact NE-OD2 2.76Å; R423-D437 IonicContact NH2-OD1 2.9Å; R423-D437 PolarHBondContact NH2-OD1 3.34Å; R423-D437 IonicContact NH2-OD2 3.11Å; R423-D437 PolarHBondContact NH2-OD2 3.17Å; R423-V440 HydrophobicContact CB-CG2 3.74Å
424M88.5Confident88.6Confident63 Ų6384.6 Ų84.631%0.3144%0.436SS..Hα-helixtrans-58.1-50.5172.9-79.2-172.968.400111.6F420 L421 S426 N427 H428 I434 V440F420-M424 HydrophobicContact CD1-SD 4.09Å; F420-M424 HydrophobicContact CE1-CG 4.47Å; F420-M424 HydrophobicContact CE1-SD 3.42Å; F420-M424 WeakPolarHBondContact CE1-SD 3.46Å; F420-M424 HydrophobicContact CE2-CG 4.5Å; F420-M424 HydrophobicContact CE2-SD 4.19Å; F420-M424 HydrophobicContact CZ-CG 4.34Å; F420-M424 HydrophobicContact CZ-SD 3.48Å; F420-M424 WeakPolarHBondContact CZ-SD 3.29Å; F420-M424 PolarHBondContact O-N 2.94Å; L421-M424 PolarHBondContact O-N 3.26Å; M424-S426 VanDerWaalsContact C-N 3.35Å; M424-S426 PolarHBondContact O-N 2.99Å; M424-N427 PolarHBondContact O-N 3.47Å; M424-H428 WeakPolarHBondContact O-CB 3.38Å; M424-H428 PolarHBondContact O-N 2.99Å; M424-I434 HydrophobicContact CE-CD1 4.14Å; M424-I434 HydrophobicContact CG-CG2 4.29Å; M424-V440 HydrophobicContact CG-CG1 4.09Å
425K89Confident88Confident128 Ų12882.9 Ų82.956%0.55744%0.435SS*.Hα-helixtrans-58.2-44.9176-73.3171.7-179177.90111.7L421 H428 M429L421-K425 WeakPolarHBondContact O-CB 3.36Å; L421-K425 VanDerWaalsContact O-CG 3.28Å; L421-K425 WeakPolarHBondContact O-CG 3.32Å; L421-K425 PolarHBondContact O-N 3.4Å; K425-H428 PolarHBondContact O-N 2.93Å; K425-M429 WeakPolarHBondContact O-CB 3.24Å; K425-M429 VanDerWaalsContact O-CG 3.29Å; K425-M429 WeakPolarHBondContact O-CG 3.35Å; K425-M429 PolarHBondContact O-N 3.43Å
426S88.8Confident87.4Confident51 Ų5184.9 Ų84.936%0.35745%0.446SS..Hα-helixtrans-63.6-42.8179-166.80000113N422 R423 M424 R430N422-S426 WeakPolarHBondContact O-CB 3.45Å; N422-S426 PolarHBondContact O-N 2.9Å; R423-S426 PolarHBondContact O-N 3.38Å; M424-S426 VanDerWaalsContact C-N 3.35Å; M424-S426 PolarHBondContact O-N 2.99Å; S426-R430 WeakPolarHBondContact O-CB 3.41Å; S426-R430 WeakPolarHBondContact O-CD 3.34Å; S426-R430 WeakPolarHBondContact O-CG 3.35Å; S426-R430 PolarHBondContact O-N 2.87Å; S426-R430 VanDerWaalsContact O-N 3.15Å
427N86.7Confident87.1Confident13 Ų1385.3 Ų85.37%0.0745%0.446CS..Hα-helixtrans-67.6-41.4177.2-76.1-44.2000111.7R423 M424 R430 G431 R432 I434 D437R423-N427 PolarHBondContact O-N 2.75Å; R423-N427 PolarHBondContact O-ND2 3.42Å; M424-N427 PolarHBondContact O-N 3.47Å; N427-R430 CarbonylContact O-C 3.32Å; N427-R430 PolarHBondContact O-N 3.05Å; N427-G431 PolarHBondContact O-N 3.25Å; N427-G431 VanDerWaalsContact O-N 3.16Å; N427-R432 HydrophobicContact CB-CB 4.28Å; N427-R432 PolarHBondContact O-N 2.86Å; N427-I434 HydrophobicContact CB-CG1 4.32Å; N427-D437 WeakPolarHBondContact ND2-CB 3.02Å; N427-D437 PolarHBondContact ND2-OD2 3.41Å
428H87.3Confident86.8Confident146 Ų14687.4 Ų87.468%0.67646%0.463SS*.Hα-helixtrans-59.7-51.6174.4-178.673.6000112.1M424 K425 R430 G431M424-H428 WeakPolarHBondContact O-CB 3.38Å; M424-H428 PolarHBondContact O-N 2.99Å; K425-H428 PolarHBondContact O-N 2.93Å; H428-R430 PolarHBondContact O-N 3.49Å; H428-R430 VanDerWaalsContact O-N 3.12Å; H428-G431 PolarHBondContact O-N 3.01Å; H428-G431 VanDerWaalsContact O-N 3.09Å
429M87.1Confident86.4Confident162 Ų16285.6 Ų85.680%0.79846%0.455SS*.Hα-helixtrans-61-21.2176.8-71.8176.971.500113.9K425K425-M429 WeakPolarHBondContact O-CB 3.24Å; K425-M429 VanDerWaalsContact O-CG 3.29Å; K425-M429 WeakPolarHBondContact O-CG 3.35Å; K425-M429 PolarHBondContact O-N 3.43Å
430R87.3Confident86.3Confident152 Ų15282.7 Ų82.757%0.57444%0.437SS*.THydrogen-bonded Turntrans-102.37.7180-63.8173.182.2178.610113.3S426 N427 H428 R432S426-R430 WeakPolarHBondContact O-CB 3.41Å; S426-R430 WeakPolarHBondContact O-CD 3.34Å; S426-R430 WeakPolarHBondContact O-CG 3.35Å; S426-R430 PolarHBondContact O-N 2.87Å; S426-R430 VanDerWaalsContact O-N 3.15Å; N427-R430 CarbonylContact O-C 3.32Å; N427-R430 PolarHBondContact O-N 3.05Å; H428-R430 PolarHBondContact O-N 3.49Å; H428-R430 VanDerWaalsContact O-N 3.12Å; R430-R432 HydrophobicContact CB-CG 4.21Å; R430-R432 PolarHBondContact O-N 3.3Å
431G82.9Confident86Confident77 Ų7785.1 Ų85.179%0.79445%0.451SS*.THydrogen-bonded Turntrans63.623.4-179.800000114.5N427 H428N427-G431 PolarHBondContact O-N 3.25Å; N427-G431 VanDerWaalsContact O-N 3.16Å; H428-G431 PolarHBondContact O-N 3.01Å; H428-G431 VanDerWaalsContact O-N 3.09Å
432R83.5Confident85.9Confident139 Ų13984.7 Ų84.753%0.52546%0.455SS..  trans-96.7134.9-176.6-65.6-178.6175.7-159.1-7.3110.6N427 R430 I434N427-R432 HydrophobicContact CB-CB 4.28Å; N427-R432 PolarHBondContact O-N 2.86Å; R430-R432 HydrophobicContact CB-CG 4.21Å; R430-R432 PolarHBondContact O-N 3.3Å; R432-I434 PolarHBondContact O-N 3.34Å
433S79.6Confident85.9Confident66 Ų6681.9 Ų81.946%0.46244%0.439SS..  trans-62.9124.6175.6-167.70000110.8T435 N436S433-T435 PolarHBondContact O-N 2.99Å; S433-T435 PolarHBondContact OG-OG1 3.48Å; S433-N436 PolarHBondContact O-N 2.83Å; S433-N436 VanDerWaalsContact O-N 3.09Å
434I78.2Confident86Confident57 Ų5782.1 Ų82.129%0.29244%0.444SS..G310 helixtrans-63.7-29.4-178.2-57.1178.7000110.8M424 N427 R432 N436 D437 V440M424-I434 HydrophobicContact CE-CD1 4.14Å; M424-I434 HydrophobicContact CG-CG2 4.29Å; N427-I434 HydrophobicContact CB-CG1 4.32Å; R432-I434 PolarHBondContact O-N 3.34Å; I434-N436 PolarHBondContact O-N 3.38Å; I434-N436 VanDerWaalsContact O-N 3.11Å; I434-D437 PolarHBondContact O-N 3.08Å; I434-V440 HydrophobicContact CG2-CB 4.44Å; I434-V440 HydrophobicContact CG2-CG1 3.72Å
435T79.9Confident86.1Confident95 Ų9585.2 Ų85.258%0.58346%0.457SS*.G310 helixtrans-58.5-20.7174.656.50000114.1S433S433-T435 PolarHBondContact O-N 2.99Å; S433-T435 PolarHBondContact OG-OG1 3.48Å
436N80.6Confident86.2Confident132 Ų13281.5 Ų81.571%0.70645%0.448SS*.G310 helixtrans-103.9-2.7-171.5-59.49000112.6S433 I434S433-N436 PolarHBondContact O-N 2.83Å; S433-N436 VanDerWaalsContact O-N 3.09Å; I434-N436 PolarHBondContact O-N 3.38Å; I434-N436 VanDerWaalsContact O-N 3.11Å
437D87.3Confident86.4Confident22 Ų2280.6 Ų80.612%0.11844%0.438CS..  trans-91.798.6170.4-172.7-9.5000109.5R423 N427 I434 A439 V440 L441R423-D437 IonicContact CZ-OD1 3.72Å; R423-D437 IonicContact CZ-OD2 3.82Å; R423-D437 IonicContact NE-OD1 3.2Å; R423-D437 IonicContact NE-OD2 3.82Å; R423-D437 PolarHBondContact NE-OD2 2.76Å; R423-D437 IonicContact NH2-OD1 2.9Å; R423-D437 PolarHBondContact NH2-OD1 3.34Å; R423-D437 IonicContact NH2-OD2 3.11Å; R423-D437 PolarHBondContact NH2-OD2 3.17Å; N427-D437 WeakPolarHBondContact ND2-CB 3.02Å; N427-D437 PolarHBondContact ND2-OD2 3.41Å; I434-D437 PolarHBondContact O-N 3.08Å; D437-A439 PolarHBondContact O-N 3.3Å; D437-A439 VanDerWaalsContact O-N 3.1Å; D437-A439 WeakPolarHBondContact OD1-CB 3.23Å; D437-A439 PolarHBondContact OD1-N 2.86Å; D437-A439 VanDerWaalsContact OD1-N 3.12Å; D437-V440 HydrophobicContact CB-CB 4.23Å; D437-V440 HydrophobicContact CB-CG2 3.85Å; D437-V440 WeakPolarHBondContact O-CB 3.5Å; D437-V440 PolarHBondContact O-N 3.22Å; D437-L441 PolarHBondContact O-N 3.31Å
438S85.9Confident86.6Confident94 Ų9483.8 Ų83.866%0.65746%0.455SS*.Hα-helixtrans-56-26.8-179.854.40000113.7S442S438-S442 WeakPolarHBondContact O-CB 3.43Å; S438-S442 PolarHBondContact O-N 3.25Å
439A86.5Confident86.8Confident27 Ų2782.5 Ų82.522%0.22345%0.454CS..Hα-helixtrans-77.9-25.8176.100000112.9D437 L443D437-A439 PolarHBondContact O-N 3.3Å; D437-A439 VanDerWaalsContact O-N 3.1Å; D437-A439 WeakPolarHBondContact OD1-CB 3.23Å; D437-A439 PolarHBondContact OD1-N 2.86Å; D437-A439 VanDerWaalsContact OD1-N 3.12Å; A439-L443 VanDerWaalsContact O-CB 3.27Å; A439-L443 WeakPolarHBondContact O-CB 3.4Å; A439-L443 WeakPolarHBondContact O-CD1 3.49Å; A439-L443 WeakPolarHBondContact O-CG 3.19Å; A439-L443 PolarHBondContact O-N 3.21Å
440V88.3Confident86.9Confident6 Ų676 Ų764%0.03642%0.421CS..Hα-helixtrans-69.8-40.7170.6177.50000109.9F420 R423 M424 I434 D437 F444F420-V440 HydrophobicContact CD2-CG1 3.96Å; F420-V440 HydrophobicContact CE2-CG1 3.52Å; F420-V440 HydrophobicContact CZ-CG1 4.41Å; R423-V440 HydrophobicContact CB-CG2 3.74Å; M424-V440 HydrophobicContact CG-CG1 4.09Å; I434-V440 HydrophobicContact CG2-CB 4.44Å; I434-V440 HydrophobicContact CG2-CG1 3.72Å; D437-V440 HydrophobicContact CB-CB 4.23Å; D437-V440 HydrophobicContact CB-CG2 3.85Å; D437-V440 WeakPolarHBondContact O-CB 3.5Å; D437-V440 PolarHBondContact O-N 3.22Å; V440-F444 WeakPolarHBondContact O-CB 3.25Å; V440-F444 PolarHBondContact O-N 2.94Å
441L87.6Confident86.9Confident86 Ų8673.5 Ų73.545%0.4542%0.416SS..Hα-helixtrans-63.4-44.5173.8-61.9176.2000112.1D437 F444 Q445D437-L441 PolarHBondContact O-N 3.31Å; L441-F444 PolarHBondContact O-N 2.9Å; L441-Q445 WeakPolarHBondContact O-CG 3.31Å; L441-Q445 PolarHBondContact O-N 3.32Å
442S90Very high87.4Confident72 Ų7273.5 Ų73.550%0.50340%0.402SS..Hα-helixtrans-63.3-44.2176.4178.80000112.4S438 Q445 S446S438-S442 WeakPolarHBondContact O-CB 3.43Å; S438-S442 PolarHBondContact O-N 3.25Å; S442-Q445 PolarHBondContact O-N 3.27Å; S442-S446 WeakPolarHBondContact O-CB 3.36Å; S442-S446 PolarHBondContact O-N 3.48Å
443L90.8Very high87.6Confident31 Ų3172 Ų7216%0.16240%0.401CS..Hα-helixtrans-64.5-39.4174.5-76165.8000112A416 T419 F420 A439 S446 I447A416-L443 HydrophobicContact CB-CD2 4.47Å; T419-L443 HydrophobicContact CG2-CD1 3.83Å; F420-L443 HydrophobicContact CB-CB 4.16Å; F420-L443 HydrophobicContact CB-CD1 4.36Å; F420-L443 HydrophobicContact CD2-CB 3.87Å; F420-L443 HydrophobicContact CG-CB 4.48Å; A439-L443 VanDerWaalsContact O-CB 3.27Å; A439-L443 WeakPolarHBondContact O-CB 3.4Å; A439-L443 WeakPolarHBondContact O-CD1 3.49Å; A439-L443 WeakPolarHBondContact O-CG 3.19Å; A439-L443 PolarHBondContact O-N 3.21Å; L443-S446 PolarHBondContact O-N 2.85Å; L443-I447 WeakPolarHBondContact O-CB 3.46Å; L443-I447 WeakPolarHBondContact O-CD1 3.33Å; L443-I447 VanDerWaalsContact O-CG1 3.24Å; L443-I447 WeakPolarHBondContact O-CG1 3.44Å; L443-I447 PolarHBondContact O-N 3.02Å
444F90.9Very high88Confident106 Ų10671.1 Ų71.147%0.46539%0.391SS..Hα-helixtrans-60.4-47.9174.4-179.2-104.8000111.5F420 V440 L441 S446 I447 N448F420-F444 HydrophobicContact CE2-CB 3.84Å; F420-F444 HydrophobicContact CE2-CD2 4.38Å; F420-F444 HydrophobicContact CZ-CB 4.39Å; F420-F444 HydrophobicContact CZ-CD2 4.09Å; V440-F444 WeakPolarHBondContact O-CB 3.25Å; V440-F444 PolarHBondContact O-N 2.94Å; L441-F444 PolarHBondContact O-N 2.9Å; F444-S446 PolarHBondContact O-N 3.2Å; F444-I447 PolarHBondContact O-N 2.72Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.33Å; F444-N448 VanDerWaalsContact CE2-ND2 3.33Å; F444-N448 WeakPolarHBondContact CE2-ND2 3.31Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.43Å; F444-N448 PolarHBondContact O-N 2.65Å; F444-N448 PolarHBondContact O-ND2 2.76Å
445Q90.2Very high88.6Confident128 Ų12872.9 Ų72.960%0.59840%0.401SS*.Hα-helixtrans-60.2-44.3175.9-72.5175.3-11.800111.8L441 S442 I447 N448 N449L441-Q445 WeakPolarHBondContact O-CG 3.31Å; L441-Q445 PolarHBondContact O-N 3.32Å; S442-Q445 PolarHBondContact O-N 3.27Å; Q445-I447 PolarHBondContact O-N 2.86Å; Q445-N448 PolarHBondContact O-N 2.88Å; Q445-N449 WeakPolarHBondContact O-CB 3.48Å; Q445-N449 PolarHBondContact O-N 2.72Å; Q445-N449 PolarHBondContact O-OD1 2.98Å
446S90.9Very high89Confident50 Ų5072.6 Ų72.635%0.3540%0.395SS..Hα-helixtrans-59.7-44.9176.7-172.40000112.5S442 L443 F444 N449 M450S442-S446 WeakPolarHBondContact O-CB 3.36Å; S442-S446 PolarHBondContact O-N 3.48Å; L443-S446 PolarHBondContact O-N 2.85Å; F444-S446 PolarHBondContact O-N 3.2Å; S446-N449 PolarHBondContact O-N 3.16Å; S446-M450 WeakPolarHBondContact O-CE 3.23Å; S446-M450 WeakPolarHBondContact O-CG 3.46Å; S446-M450 PolarHBondContact O-N 3.19Å
447I92.1Very high89.4Confident32 Ų3267 Ų6716%0.16437%0.365CS..Hα-helixtrans-65.3-41.2177.7-68.1161.9000111.5A416 V417 F420 L443 F444 Q445 N449 M450 H451A416-I447 HydrophobicContact CB-CG1 4.12Å; V417-I447 HydrophobicContact CG2-CD1 3.96Å; V417-I447 HydrophobicContact CG2-CG1 4.11Å; V417-I447 HydrophobicContact CG2-CG2 4.26Å; F420-I447 HydrophobicContact CB-CD1 3.72Å; F420-I447 HydrophobicContact CD1-CD1 4.17Å; F420-I447 HydrophobicContact CD2-CD1 4.4Å; F420-I447 HydrophobicContact CG-CD1 3.86Å; L443-I447 WeakPolarHBondContact O-CB 3.46Å; L443-I447 WeakPolarHBondContact O-CD1 3.33Å; L443-I447 VanDerWaalsContact O-CG1 3.24Å; L443-I447 WeakPolarHBondContact O-CG1 3.44Å; L443-I447 PolarHBondContact O-N 3.02Å; F444-I447 PolarHBondContact O-N 2.72Å; Q445-I447 PolarHBondContact O-N 2.86Å; I447-N449 VanDerWaalsContact C-N 3.35Å; I447-N449 PolarHBondContact O-N 2.74Å; I447-M450 HydrophobicContact CG1-CE 4.4Å; I447-M450 PolarHBondContact O-N 3.22Å; I447-H451 PolarHBondContact O-N 3Å
448N91.4Very high89.5Confident80 Ų8070.1 Ų70.143%0.42838%0.381SS..Hα-helixtrans-64.5-38.6175.6-79.3-91.2000111.9F444 Q445 M450 H451 P452F444-N448 WeakPolarHBondContact CE1-ND2 3.33Å; F444-N448 VanDerWaalsContact CE2-ND2 3.33Å; F444-N448 WeakPolarHBondContact CE2-ND2 3.31Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.43Å; F444-N448 PolarHBondContact O-N 2.65Å; F444-N448 PolarHBondContact O-ND2 2.76Å; Q445-N448 PolarHBondContact O-N 2.88Å; N448-M450 VanDerWaalsContact C-N 3.35Å; N448-H451 WeakPolarHBondContact O-CB 3.23Å; N448-H451 PolarHBondContact O-N 3.46Å; N448-P452 WeakPolarHBondContact O-CD 3.37Å
449N91.5Very high89.7Confident119 Ų11969.6 Ų69.664%0.63637%0.371SS*.Hα-helixtrans-68.4-32.2177.6-68.3-8.7000112.8Q445 S446 I447 P452Q445-N449 WeakPolarHBondContact O-CB 3.48Å; Q445-N449 PolarHBondContact O-N 2.72Å; Q445-N449 PolarHBondContact O-OD1 2.98Å; S446-N449 PolarHBondContact O-N 3.16Å; I447-N449 VanDerWaalsContact C-N 3.35Å; I447-N449 PolarHBondContact O-N 2.74Å; N449-P452 WeakPolarHBondContact O-CD 3.5Å
450M88.8Confident89.8Confident25 Ų2571.2 Ų71.212%0.12337%0.374CS..Hα-helixtrans-78.2-23.9173.8-71-175.3-74.500113.3F409 L413 A416 S446 I447 N448 Q453 L454F409-M450 HydrophobicContact CE2-CB 3.9Å; F409-M450 HydrophobicContact CE2-CG 3.9Å; F409-M450 HydrophobicContact CE2-SD 4.26Å; F409-M450 HydrophobicContact CZ-CB 4.02Å; F409-M450 WeakPolarHBondContact CZ-O 3.47Å; L413-M450 HydrophobicContact CB-SD 4.21Å; L413-M450 HydrophobicContact CD1-CB 4.01Å; L413-M450 HydrophobicContact CD1-CE 3.75Å; L413-M450 HydrophobicContact CD1-SD 4.15Å; A416-M450 HydrophobicContact CB-CE 3.81Å; S446-M450 WeakPolarHBondContact O-CE 3.23Å; S446-M450 WeakPolarHBondContact O-CG 3.46Å; S446-M450 PolarHBondContact O-N 3.19Å; I447-M450 HydrophobicContact CG1-CE 4.4Å; I447-M450 PolarHBondContact O-N 3.22Å; N448-M450 VanDerWaalsContact C-N 3.35Å; M450-Q453 WeakPolarHBondContact O-CB 3.27Å; M450-Q453 PolarHBondContact O-N 2.89Å; M450-Q453 VanDerWaalsContact O-N 3.12Å; M450-L454 PolarHBondContact O-N 3.17Å; M450-L454 VanDerWaalsContact O-N 3.14Å
451H88.8Confident89.7Confident99 Ų9975 Ų7546%0.45839%0.394SS..Hα-helixtrans-55.3-46.1-176.7-172.344000115.3I447 N448 Q453 L454 L455I447-H451 PolarHBondContact O-N 3Å; N448-H451 WeakPolarHBondContact O-CB 3.23Å; N448-H451 PolarHBondContact O-N 3.46Å; H451-Q453 VanDerWaalsContact C-N 3.29Å; H451-Q453 PolarHBondContact O-N 3.08Å; H451-L454 WeakPolarHBondContact O-CB 3.37Å; H451-L454 PolarHBondContact O-N 3.31Å; H451-L455 PolarHBondContact O-N 3.2Å
452P92.3Very high89.9Confident78 Ų7874.8 Ų74.851%0.50639%0.393SS..Hα-helixtrans-64.9-30.7176.825-34.5000113.3N448 N449 L455 D456N448-P452 WeakPolarHBondContact O-CD 3.37Å; N449-P452 WeakPolarHBondContact O-CD 3.5Å; P452-L455 PolarHBondContact O-N 2.99Å; P452-D456 PolarHBondContact O-N 3.47Å; P452-D456 VanDerWaalsContact O-N 3.1Å
453Q87.3Confident90.1Very high108 Ų10877 Ų7751%0.50540%0.396SS..Hα-helixtrans-68.8-34.8175.7-61.6-178.8-57.100111.7F409 M450 H451 L455 D456 I457F409-Q453 HydrophobicContact CE2-CB 3.89Å; F409-Q453 HydrophobicContact CZ-CB 3.73Å; M450-Q453 WeakPolarHBondContact O-CB 3.27Å; M450-Q453 PolarHBondContact O-N 2.89Å; M450-Q453 VanDerWaalsContact O-N 3.12Å; H451-Q453 VanDerWaalsContact C-N 3.29Å; H451-Q453 PolarHBondContact O-N 3.08Å; Q453-L455 VanDerWaalsContact C-N 3.34Å; Q453-D456 PolarHBondContact O-N 2.88Å; Q453-I457 VanDerWaalsContact O-CG1 3.31Å; Q453-I457 WeakPolarHBondContact O-CG1 3.48Å; Q453-I457 PolarHBondContact O-N 2.92Å
454L89.1Confident90Very high47 Ų4778.4 Ų78.425%0.24640%0.4CS..Hα-helixtrans-64.3-38.1172.6179.766.9000112.1F409 L410 L413 M450 H451 L458F409-L454 HydrophobicContact CE1-CB 4.24Å; F409-L454 HydrophobicContact CE1-CD1 4.48Å; F409-L454 HydrophobicContact CZ-CB 4.42Å; L410-L454 HydrophobicContact CD2-CD1 3.64Å; L413-L454 HydrophobicContact CD2-CB 4.34Å; L413-L454 HydrophobicContact CD2-CD1 4.36Å; L413-L454 HydrophobicContact CD2-CD2 3.99Å; L413-L454 HydrophobicContact CD2-CG 4.47Å; M450-L454 PolarHBondContact O-N 3.17Å; M450-L454 VanDerWaalsContact O-N 3.14Å; H451-L454 WeakPolarHBondContact O-CB 3.37Å; H451-L454 PolarHBondContact O-N 3.31Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 PolarHBondContact O-N 3.37Å
455L90.4Very high90Very high94 Ų9480.1 Ų80.149%0.49240%0.404SS..Hα-helixtrans-68.6-39.5178.6-67.7175.3000112H451 P452 Q453 L458 N459H451-L455 PolarHBondContact O-N 3.2Å; P452-L455 PolarHBondContact O-N 2.99Å; Q453-L455 VanDerWaalsContact C-N 3.34Å; L455-L458 WeakPolarHBondContact O-CB 3.24Å; L455-L458 PolarHBondContact O-N 3.24Å; L455-N459 PolarHBondContact O-N 2.86Å
456D88.9Confident90.2Very high88 Ų8879.5 Ų79.547%0.47140%0.404SS..Hα-helixtrans-63.8-47.3174.2-179.838.8000111.7P452 Q453 L458 N459 Q460P452-D456 PolarHBondContact O-N 3.47Å; P452-D456 VanDerWaalsContact O-N 3.1Å; Q453-D456 PolarHBondContact O-N 2.88Å; D456-L458 VanDerWaalsContact C-N 3.28Å; D456-L458 PolarHBondContact O-N 2.84Å; D456-N459 PolarHBondContact O-N 3.15Å; D456-Q460 WeakPolarHBondContact O-CG 3.37Å; D456-Q460 PolarHBondContact O-N 3.16Å; D456-Q460 PolarHBondContact OD1-NE2 2.88Å; D456-Q460 VanDerWaalsContact OD1-NE2 3.07Å; D456-Q460 PolarHBondContact OD2-NE2 3.21Å
457I88.2Confident90.2Very high14 Ų1484.3 Ų84.37%0.07242%0.416CS..Hα-helixtrans-58.7-39.7174.6-68.7167.2000111.4F409 Q453 L461F409-I457 HydrophobicContact CD1-CD1 3.53Å; F409-I457 HydrophobicContact CE1-CD1 3.79Å; F409-I457 HydrophobicContact CG-CD1 4.26Å; Q453-I457 VanDerWaalsContact O-CG1 3.31Å; Q453-I457 WeakPolarHBondContact O-CG1 3.48Å; Q453-I457 PolarHBondContact O-N 2.92Å; I457-L461 HydrophobicContact CG2-CD1 4.04Å; I457-L461 VanDerWaalsContact O-CG 3.27Å; I457-L461 WeakPolarHBondContact O-CG 3.31Å; I457-L461 PolarHBondContact O-N 3.39Å
458L89.4Confident90.2Very high88 Ų8888.3 Ų88.346%0.46143%0.429SS..Hα-helixtrans-61.1-50.1174.5-99164.3000112L454 L455 D456 Q460 L461 D462L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 PolarHBondContact O-N 3.37Å; L455-L458 WeakPolarHBondContact O-CB 3.24Å; L455-L458 PolarHBondContact O-N 3.24Å; D456-L458 VanDerWaalsContact C-N 3.28Å; D456-L458 PolarHBondContact O-N 2.84Å; L458-Q460 VanDerWaalsContact C-N 3.35Å; L458-Q460 PolarHBondContact O-N 3.08Å; L458-L461 PolarHBondContact O-N 2.96Å; L458-L461 VanDerWaalsContact O-N 3.14Å; L458-D462 PolarHBondContact O-N 3.41Å
459N91.4Very high90.3Very high84 Ų8488.1 Ų88.145%0.44943%0.426SS..Hα-helixtrans-60.8-43.1178.8-175.182.2000111.8L455 D456 L461 D462 E463L455-N459 PolarHBondContact O-N 2.86Å; D456-N459 PolarHBondContact O-N 3.15Å; N459-L461 VanDerWaalsContact C-N 3.29Å; N459-L461 PolarHBondContact O-N 3.01Å; N459-D462 PolarHBondContact O-N 2.94Å; N459-E463 PolarHBondContact ND2-OE1 3.15Å; N459-E463 WeakPolarHBondContact O-CB 3.23Å; N459-E463 WeakPolarHBondContact O-CG 3.49Å; N459-E463 PolarHBondContact O-N 2.9Å
460Q88.3Confident90.4Very high61 Ų6183.6 Ų83.629%0.28541%0.407SS..Hα-helixtrans-61.9-34.1175.6-69.6175.632.200113D456 L458 K464D456-Q460 WeakPolarHBondContact O-CG 3.37Å; D456-Q460 PolarHBondContact O-N 3.16Å; D456-Q460 PolarHBondContact OD1-NE2 2.88Å; D456-Q460 VanDerWaalsContact OD1-NE2 3.07Å; D456-Q460 PolarHBondContact OD2-NE2 3.21Å; L458-Q460 VanDerWaalsContact C-N 3.35Å; L458-Q460 PolarHBondContact O-N 3.08Å; Q460-K464 VanDerWaalsContact O-CB 3.31Å; Q460-K464 WeakPolarHBondContact O-CB 3.46Å; Q460-K464 VanDerWaalsContact O-CG 3.24Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Q460-K464 PolarHBondContact O-N 2.96Å
461L86.3Confident90.6Very high84 Ų8485.7 Ų85.744%0.4442%0.419SS..Hα-helixtrans-72.7-40.2176.2-73.5170.7000112I457 L458 N459 K464 R465I457-L461 HydrophobicContact CG2-CD1 4.04Å; I457-L461 VanDerWaalsContact O-CG 3.27Å; I457-L461 WeakPolarHBondContact O-CG 3.31Å; I457-L461 PolarHBondContact O-N 3.39Å; L458-L461 PolarHBondContact O-N 2.96Å; L458-L461 VanDerWaalsContact O-N 3.14Å; N459-L461 VanDerWaalsContact C-N 3.29Å; N459-L461 PolarHBondContact O-N 3.01Å; L461-K464 PolarHBondContact O-N 3.08Å; L461-R465 VanDerWaalsContact O-CB 3.3Å; L461-R465 WeakPolarHBondContact O-CB 3.37Å; L461-R465 PolarHBondContact O-N 3.46Å
462D91.6Very high90.7Very high83 Ų8387.7 Ų87.744%0.44443%0.428SS..Hα-helixtrans-67.9-39.3174.4-80.8-37.8000112L458 N459 R465 L466L458-D462 PolarHBondContact O-N 3.41Å; N459-D462 PolarHBondContact O-N 2.94Å; D462-R465 WeakPolarHBondContact O-CB 3.41Å; D462-R465 PolarHBondContact O-N 2.98Å; D462-L466 WeakPolarHBondContact O-CG 3.24Å; D462-L466 PolarHBondContact O-N 2.85Å
463E92.8Very high90.9Very high119 Ų11988.7 Ų88.756%0.55643%0.429SS*.Hα-helixtrans-62.4-47172.1-76.4-179.3-167.800112.1N459 R465 L466 Y467N459-E463 PolarHBondContact ND2-OE1 3.15Å; N459-E463 WeakPolarHBondContact O-CB 3.23Å; N459-E463 WeakPolarHBondContact O-CG 3.49Å; N459-E463 PolarHBondContact O-N 2.9Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.15Å; E463-L466 PolarHBondContact O-N 3.23Å; E463-Y467 WeakPolarHBondContact O-CB 3.49Å; E463-Y467 PolarHBondContact O-N 3.25Å
464K88.4Confident91.2Very high59 Ų5989.7 Ų89.726%0.25743%0.432SS..Hα-helixtrans-58-42.8173.2-80.3176.3177.3-174.20111.2Q460 L461 Y467 Y468Q460-K464 VanDerWaalsContact O-CB 3.31Å; Q460-K464 WeakPolarHBondContact O-CB 3.46Å; Q460-K464 VanDerWaalsContact O-CG 3.24Å; Q460-K464 WeakPolarHBondContact O-CG 3.37Å; Q460-K464 PolarHBondContact O-N 2.96Å; L461-K464 PolarHBondContact O-N 3.08Å; K464-Y467 WeakPolarHBondContact O-CB 3.42Å; K464-Y467 PolarHBondContact O-N 3.4Å; K464-Y468 HydrophobicContact CB-CE2 4.3Å; K464-Y468 WeakPolarHBondContact O-CD2 3.46Å; K464-Y468 PolarHBondContact O-N 3.28Å
465R92.4Very high91.3Very high142 Ų14291.9 Ų91.954%0.53644%0.443SS..Hα-helixtrans-61.3-51.5178.1178.5-178.4166.5-142.9-16.8111.5L461 D462 E463 Y467 Y468 E469L461-R465 VanDerWaalsContact O-CB 3.3Å; L461-R465 WeakPolarHBondContact O-CB 3.37Å; L461-R465 PolarHBondContact O-N 3.46Å; D462-R465 WeakPolarHBondContact O-CB 3.41Å; D462-R465 PolarHBondContact O-N 2.98Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.15Å; R465-Y467 VanDerWaalsContact C-N 3.26Å; R465-Y467 PolarHBondContact O-N 3.28Å; R465-Y468 PolarHBondContact O-N 3.49Å; R465-Y468 VanDerWaalsContact O-N 3.13Å; R465-E469 HydrophobicContact CG-CG 4.39Å; R465-E469 IonicContact CZ-OE1 3.73Å; R465-E469 IonicContact NE-OE1 3.05Å; R465-E469 PolarHBondContact NE-OE1 3.44Å; R465-E469 IonicContact NE-OE2 3.05Å; R465-E469 IonicContact NH2-OE1 2.85Å; R465-E469 PolarHBondContact NH2-OE1 3.32Å; R465-E469 IonicContact NH2-OE2 3.65Å; R465-E469 WeakPolarHBondContact O-CG 3.02Å; R465-E469 PolarHBondContact O-N 3.01Å
466L93.5Very high91.5Very high116 Ų11689.2 Ų89.261%0.60744%0.435SS*.Hα-helixtrans-60.5-36.5178.1-70.9170.1000112D462 E463 G470D462-L466 WeakPolarHBondContact O-CG 3.24Å; D462-L466 PolarHBondContact O-N 2.85Å; E463-L466 PolarHBondContact O-N 3.23Å; L466-G470 PolarHBondContact O-N 3.08Å
467Y91.4Very high91.8Very high151 Ų15191.2 Ų91.259%0.59244%0.441SS*.Hα-helixtrans-62.8-45.5173174.3-96000112.5E463 K464 R465 L471E463-Y467 WeakPolarHBondContact O-CB 3.49Å; E463-Y467 PolarHBondContact O-N 3.25Å; K464-Y467 WeakPolarHBondContact O-CB 3.42Å; K464-Y467 PolarHBondContact O-N 3.4Å; R465-Y467 VanDerWaalsContact C-N 3.26Å; R465-Y467 PolarHBondContact O-N 3.28Å; Y467-L471 WeakPolarHBondContact O-CB 3.41Å; Y467-L471 PolarHBondContact O-N 3.03Å
468Y91.2Very high92Very high116 Ų11694 Ų9446%0.45546%0.459SS..Hα-helixtrans-71.3-38.6178.7-69.5-54.9000113K464 R465 L471 Q472K464-Y468 HydrophobicContact CB-CE2 4.3Å; K464-Y468 WeakPolarHBondContact O-CD2 3.46Å; K464-Y468 PolarHBondContact O-N 3.28Å; R465-Y468 PolarHBondContact O-N 3.49Å; R465-Y468 VanDerWaalsContact O-N 3.13Å; Y468-L471 PolarHBondContact O-N 3.35Å; Y468-Q472 WeakPolarHBondContact O-CB 3.47Å; Y468-Q472 PolarHBondContact O-N 2.91Å
469E94Very high92.1Very high76 Ų7698.4 Ų98.436%0.35547%0.47SS..Hα-helixtrans-59.8-48.8171.7-72.3176.9170.900110.3R465 L471 Q472 D473R465-E469 HydrophobicContact CG-CG 4.39Å; R465-E469 IonicContact CZ-OE1 3.73Å; R465-E469 IonicContact NE-OE1 3.05Å; R465-E469 PolarHBondContact NE-OE1 3.44Å; R465-E469 IonicContact NE-OE2 3.05Å; R465-E469 IonicContact NH2-OE1 2.85Å; R465-E469 PolarHBondContact NH2-OE1 3.32Å; R465-E469 IonicContact NH2-OE2 3.65Å; R465-E469 WeakPolarHBondContact O-CG 3.02Å; R465-E469 PolarHBondContact O-N 3.01Å; E469-L471 PolarHBondContact O-N 3.38Å; E469-Q472 WeakPolarHBondContact O-CB 3.44Å; E469-Q472 PolarHBondContact O-N 2.64Å; E469-Q472 VanDerWaalsContact O-N 3.08Å; E469-D473 PolarHBondContact O-N 3.06Å
470G93.6Very high92.3Very high24 Ų2499.6 Ų99.625%0.24748%0.476CS..Hα-helixtrans-67.5-15.5175.500000115.3L466 K474L466-G470 PolarHBondContact O-N 3.08Å; G470-K474 VanDerWaalsContact O-CD 3.22Å; G470-K474 WeakPolarHBondContact O-CD 3.44Å; G470-K474 VanDerWaalsContact O-CE 3.23Å; G470-K474 WeakPolarHBondContact O-CE 3.01Å; G470-K474 VanDerWaalsContact O-CG 3.3Å; G470-K474 WeakPolarHBondContact O-CG 3.4Å
471L94.1Very high92.6Very high69 Ų6999.2 Ų99.236%0.36148%0.483SS..Hα-helixtrans-84.8-37.8169-177.561.8000111.3Y467 Y468 E469 K474 L475Y467-L471 WeakPolarHBondContact O-CB 3.41Å; Y467-L471 PolarHBondContact O-N 3.03Å; Y468-L471 PolarHBondContact O-N 3.35Å; E469-L471 PolarHBondContact O-N 3.38Å; L471-K474 PolarHBondContact O-N 2.88Å; L471-L475 HydrophobicContact CG-CD1 4.47Å; L471-L475 WeakPolarHBondContact O-CG 3.28Å; L471-L475 PolarHBondContact O-N 2.91Å
472Q90.6Very high93Very high141 Ų141103.2 Ų103.266%0.65949%0.492SS*.Hα-helixtrans-62.4-41.8174.9-176.7172-57.400111.6Y468 E469 K474 L475 A476Y468-Q472 WeakPolarHBondContact O-CB 3.47Å; Y468-Q472 PolarHBondContact O-N 2.91Å; E469-Q472 WeakPolarHBondContact O-CB 3.44Å; E469-Q472 PolarHBondContact O-N 2.64Å; E469-Q472 VanDerWaalsContact O-N 3.08Å; Q472-K474 PolarHBondContact O-N 3.02Å; Q472-L475 WeakPolarHBondContact O-CB 3.36Å; Q472-L475 PolarHBondContact O-N 3.44Å; Q472-A476 PolarHBondContact O-N 3.44Å
473D95.2Very high93.1Very high99 Ų99102.1 Ų102.153%0.52949%0.494SS..Hα-helixtrans-61.4-41.8174.7-75.7-14.4000112.4E469 L475 A476 Q477E469-D473 PolarHBondContact O-N 3.06Å; D473-L475 VanDerWaalsContact C-N 3.31Å; D473-L475 PolarHBondContact O-N 3.07Å; D473-A476 WeakPolarHBondContact O-CB 3.41Å; D473-A476 PolarHBondContact O-N 2.91Å; D473-Q477 WeakPolarHBondContact O-CG 3.15Å; D473-Q477 PolarHBondContact O-N 3.33Å
474K93.9Very high93.2Very high128 Ų12899 Ų9956%0.55749%0.49SS*.Hα-helixtrans-64.6-37.3175.1-68.2166-167.41640111.4G470 L471 Q472 V478G470-K474 VanDerWaalsContact O-CD 3.22Å; G470-K474 WeakPolarHBondContact O-CD 3.44Å; G470-K474 VanDerWaalsContact O-CE 3.23Å; G470-K474 WeakPolarHBondContact O-CE 3.01Å; G470-K474 VanDerWaalsContact O-CG 3.3Å; G470-K474 WeakPolarHBondContact O-CG 3.4Å; L471-K474 PolarHBondContact O-N 2.88Å; Q472-K474 PolarHBondContact O-N 3.02Å; K474-V478 VanDerWaalsContact O-CG2 3.3Å; K474-V478 WeakPolarHBondContact O-CG2 3.47Å; K474-V478 PolarHBondContact O-N 3.46Å
475L91.7Very high93.4Very high93 Ų93100.7 Ų100.749%0.48750%0.501SS..Hα-helixtrans-68-34.1174.1-72169.5000112.4L471 Q472 D473 R479L471-L475 HydrophobicContact CG-CD1 4.47Å; L471-L475 WeakPolarHBondContact O-CG 3.28Å; L471-L475 PolarHBondContact O-N 2.91Å; Q472-L475 WeakPolarHBondContact O-CB 3.36Å; Q472-L475 PolarHBondContact O-N 3.44Å; D473-L475 VanDerWaalsContact C-N 3.31Å; D473-L475 PolarHBondContact O-N 3.07Å; L475-R479 VanDerWaalsContact O-CG 3.27Å; L475-R479 WeakPolarHBondContact O-CG 3.35Å; L475-R479 PolarHBondContact O-N 3.49Å; L475-R479 VanDerWaalsContact O-N 3.11Å
476A93.7Very high93.4Very high38 Ų3897.8 Ų97.831%0.31450%0.496SS..Hα-helixtrans-64.6-52.6171.500000111.1Q472 D473 V478 R479 D480Q472-A476 PolarHBondContact O-N 3.44Å; D473-A476 WeakPolarHBondContact O-CB 3.41Å; D473-A476 PolarHBondContact O-N 2.91Å; A476-V478 VanDerWaalsContact C-N 3.25Å; A476-V478 PolarHBondContact O-N 2.99Å; A476-R479 WeakPolarHBondContact O-CA 3.36Å; A476-R479 WeakPolarHBondContact O-CB 3.24Å; A476-R479 PolarHBondContact O-N 2.99Å; A476-D480 PolarHBondContact O-N 3.31Å
477Q95.1Very high93.5Very high130 Ų13095.2 Ų95.261%0.60749%0.491SS*.Hα-helixtrans-54.8-39.2176.9-68.3170.718.100112.8D473 D480 A481D473-Q477 WeakPolarHBondContact O-CG 3.15Å; D473-Q477 PolarHBondContact O-N 3.33Å; Q477-D480 PolarHBondContact O-N 2.87Å; Q477-A481 VanDerWaalsContact O-CB 3.3Å; Q477-A481 WeakPolarHBondContact O-CB 3.43Å; Q477-A481 PolarHBondContact O-N 3.37Å
478V93.6Very high93.7Very high72 Ų7293.2 Ų93.244%0.43649%0.49SS..Hα-helixtrans-69.9-31.1175.6169.80000112.7K474 A476 R482K474-V478 VanDerWaalsContact O-CG2 3.3Å; K474-V478 WeakPolarHBondContact O-CG2 3.47Å; K474-V478 PolarHBondContact O-N 3.46Å; A476-V478 VanDerWaalsContact C-N 3.25Å; A476-V478 PolarHBondContact O-N 2.99Å; V478-R482 WeakPolarHBondContact O-CD 3.16Å; V478-R482 WeakPolarHBondContact O-CG 3.46Å; V478-R482 PolarHBondContact O-N 3.35Å
479R92.1Very high93.9Very high182 Ų18294.3 Ų94.369%0.68749%0.493SS*.Hα-helixtrans-69.9-46.2172.5-72.9165.2178-179.7-0.1110.8L475 A476 R482 A483L475-R479 VanDerWaalsContact O-CG 3.27Å; L475-R479 WeakPolarHBondContact O-CG 3.35Å; L475-R479 PolarHBondContact O-N 3.49Å; L475-R479 VanDerWaalsContact O-N 3.11Å; A476-R479 WeakPolarHBondContact O-CA 3.36Å; A476-R479 WeakPolarHBondContact O-CB 3.24Å; A476-R479 PolarHBondContact O-N 2.99Å; R479-R482 WeakPolarHBondContact O-CB 3.35Å; R479-R482 PolarHBondContact O-N 2.78Å; R479-R482 VanDerWaalsContact O-N 3.15Å; R479-A483 PolarHBondContact O-N 3.39Å
480D95.6Very high93.9Very high108 Ų10894.5 Ų94.558%0.57850%0.497SS*.Hα-helixtrans-66-42.6-178.2-60.9-23.2000111.6A476 Q477 R482 A483 A484A476-D480 PolarHBondContact O-N 3.31Å; Q477-D480 PolarHBondContact O-N 2.87Å; D480-R482 VanDerWaalsContact C-N 3.28Å; D480-R482 PolarHBondContact O-N 2.96Å; D480-A483 WeakPolarHBondContact O-CB 3.29Å; D480-A483 PolarHBondContact O-N 2.92Å; D480-A483 VanDerWaalsContact O-N 3.14Å; D480-A484 PolarHBondContact O-N 3Å
481A94.6Very high93.9Very high53 Ų5399.4 Ų99.444%0.43851%0.514SS..Hα-helixtrans-60.3-36.2173.100000112.6Q477 L485Q477-A481 VanDerWaalsContact O-CB 3.3Å; Q477-A481 WeakPolarHBondContact O-CB 3.43Å; Q477-A481 PolarHBondContact O-N 3.37Å; A481-L485 WeakPolarHBondContact O-CB 3.23Å; A481-L485 VanDerWaalsContact O-CG 3.28Å; A481-L485 WeakPolarHBondContact O-CG 3.48Å; A481-L485 PolarHBondContact O-N 3.13Å; A481-L485 VanDerWaalsContact O-N 3.08Å
482R93.4Very high94Very high169 Ų169101.6 Ų101.664%0.63852%0.522SS*.Hα-helixtrans-70.5-39173.7-73.8171-177.9-165.52.6112.2V478 R479 D480 L485 N486V478-R482 WeakPolarHBondContact O-CD 3.16Å; V478-R482 WeakPolarHBondContact O-CG 3.46Å; V478-R482 PolarHBondContact O-N 3.35Å; R479-R482 WeakPolarHBondContact O-CB 3.35Å; R479-R482 PolarHBondContact O-N 2.78Å; R479-R482 VanDerWaalsContact O-N 3.15Å; D480-R482 VanDerWaalsContact C-N 3.28Å; D480-R482 PolarHBondContact O-N 2.96Å; R482-L485 PolarHBondContact O-N 3.18Å; R482-N486 PolarHBondContact O-N 3.38Å
483A93.5Very high94.2Very high59 Ų59101.5 Ų101.549%0.48852%0.515SS..Hα-helixtrans-62.5-47.2175.900000111.2R479 D480 L485 N486 A487R479-A483 PolarHBondContact O-N 3.39Å; D480-A483 WeakPolarHBondContact O-CB 3.29Å; D480-A483 PolarHBondContact O-N 2.92Å; D480-A483 VanDerWaalsContact O-N 3.14Å; A483-L485 PolarHBondContact O-N 3.26Å; A483-N486 PolarHBondContact O-N 2.87Å; A483-A487 PolarHBondContact O-N 2.95Å
484A96.1Very high94.2Very high55 Ų5599.5 Ų99.546%0.45550%0.503SS..Hα-helixtrans-60.2-44.9175.600000112.6D480 N486 A487 L488D480-A484 PolarHBondContact O-N 3Å; A484-N486 VanDerWaalsContact C-N 3.27Å; A484-N486 PolarHBondContact O-N 2.72Å; A484-A487 PolarHBondContact O-N 2.81Å; A484-L488 WeakPolarHBondContact O-CG 3.37Å; A484-L488 PolarHBondContact O-N 2.63Å
485L92.9Very high94.3Very high94 Ų94100.3 Ų100.349%0.49251%0.506SS..Hα-helixtrans-63.5-30176-77171.6000113.4A481 R482 A483 R489A481-L485 WeakPolarHBondContact O-CB 3.23Å; A481-L485 VanDerWaalsContact O-CG 3.28Å; A481-L485 WeakPolarHBondContact O-CG 3.48Å; A481-L485 PolarHBondContact O-N 3.13Å; A481-L485 VanDerWaalsContact O-N 3.08Å; R482-L485 PolarHBondContact O-N 3.18Å; A483-L485 PolarHBondContact O-N 3.26Å; L485-R489 WeakPolarHBondContact O-CD 3.24Å; L485-R489 VanDerWaalsContact O-CG 3.26Å; L485-R489 WeakPolarHBondContact O-CG 3.43Å; L485-R489 PolarHBondContact O-N 3.23Å
486N92.1Very high94.4Very high80 Ų80100.7 Ų100.743%0.42851%0.508SS..Hα-helixtrans-76.5-44.2174.1-71.8-12.6000111.2R482 A483 A484 L488 R489 D490R482-N486 PolarHBondContact O-N 3.38Å; A483-N486 PolarHBondContact O-N 2.87Å; A484-N486 VanDerWaalsContact C-N 3.27Å; A484-N486 PolarHBondContact O-N 2.72Å; N486-L488 VanDerWaalsContact C-N 3.3Å; N486-L488 PolarHBondContact O-N 3.5Å; N486-R489 WeakPolarHBondContact O-CB 3.33Å; N486-R489 PolarHBondContact O-N 2.92Å; N486-R489 PolarHBondContact OD1-NH1 3.11Å; N486-D490 WeakPolarHBondContact O-CB 3.32Å; N486-D490 VanDerWaalsContact O-CG 3.31Å; N486-D490 PolarHBondContact O-N 3.13Å; N486-D490 VanDerWaalsContact O-OD1 3.06Å
487A95.4Very high94.5Very high62 Ų62104.6 Ų104.651%0.51252%0.515SS..Hα-helixtrans-54.6-44.4174.900000112.4A483 A484 R489 D490 E491A483-A487 PolarHBondContact O-N 2.95Å; A484-A487 PolarHBondContact O-N 2.81Å; A487-R489 PolarHBondContact O-N 3.5Å; A487-D490 PolarHBondContact O-N 2.92Å; A487-E491 PolarHBondContact O-N 3.27Å
488L96.1Very high94.5Very high109 Ų109104.9 Ų104.957%0.57151%0.51SS*.Hα-helixtrans-64.1-36.5176-70.1170.6000113.3A484 N486 D490 H492A484-L488 WeakPolarHBondContact O-CG 3.37Å; A484-L488 PolarHBondContact O-N 2.63Å; N486-L488 VanDerWaalsContact C-N 3.3Å; N486-L488 PolarHBondContact O-N 3.5Å; L488-D490 VanDerWaalsContact C-N 3.31Å; L488-H492 WeakPolarHBondContact O-CB 3.31Å; L488-H492 PolarHBondContact O-N 3.12Å
489R94.5Very high94.6Very high139 Ų139103.9 Ų103.953%0.52551%0.51SS..Hα-helixtrans-68.2-33.7173.8-73.1166.3179.41441.1111.8L485 N486 A487 R493L485-R489 WeakPolarHBondContact O-CD 3.24Å; L485-R489 VanDerWaalsContact O-CG 3.26Å; L485-R489 WeakPolarHBondContact O-CG 3.43Å; L485-R489 PolarHBondContact O-N 3.23Å; N486-R489 WeakPolarHBondContact O-CB 3.33Å; N486-R489 PolarHBondContact O-N 2.92Å; N486-R489 PolarHBondContact OD1-NH1 3.11Å; A487-R489 PolarHBondContact O-N 3.5Å; R489-R493 WeakPolarHBondContact O-CG 3.3Å; R489-R493 PolarHBondContact O-N 2.96Å; R489-R493 VanDerWaalsContact O-N 3.14Å; R489-R493 PolarHBondContact O-NH1 3.31Å
490D93.2Very high94.7Very high81 Ų8197.9 Ų97.943%0.43350%0.499SS..Hα-helixtrans-75.6-44.2-177.9-71.821.2000110.1N486 A487 L488 H492 R493 E494N486-D490 WeakPolarHBondContact O-CB 3.32Å; N486-D490 VanDerWaalsContact O-CG 3.31Å; N486-D490 PolarHBondContact O-N 3.13Å; N486-D490 VanDerWaalsContact O-OD1 3.06Å; A487-D490 PolarHBondContact O-N 2.92Å; L488-D490 VanDerWaalsContact C-N 3.31Å; D490-H492 VanDerWaalsContact C-N 3.3Å; D490-H492 PolarHBondContact O-N 3.26Å; D490-R493 PolarHBondContact O-N 3.05Å; D490-R493 VanDerWaalsContact O-N 3.16Å; D490-R493 IonicContact OD1-CZ 3.92Å; D490-R493 IonicContact OD1-NH1 2.72Å; D490-R493 PolarHBondContact OD1-NH1 2.95Å; D490-R493 IonicContact OD1-NH2 2.83Å; D490-R493 PolarHBondContact OD1-NH2 2.83Å; D490-R493 IonicContact OD2-NH2 3.6Å; D490-R493 PolarHBondContact OD2-NH2 2.95Å; D490-E494 WeakPolarHBondContact O-CB 3.49Å; D490-E494 PolarHBondContact O-N 2.9Å
491E94.9Very high94.7Very high127 Ų12797.3 Ų97.359%0.59349%0.493SS*.Hα-helixtrans-56.6-42.2169-167.5-165.3152.300111.8A487 R493 E494 K495A487-E491 PolarHBondContact O-N 3.27Å; E491-R493 PolarHBondContact O-N 3.36Å; E491-E494 PolarHBondContact O-N 2.68Å; E491-K495 VanDerWaalsContact O-CB 3.3Å; E491-K495 WeakPolarHBondContact O-CB 3.35Å; E491-K495 PolarHBondContact O-N 3.36Å
492H95.1Very high94.7Very high115 Ų115100.6 Ų100.653%0.53250%0.499SS..Hα-helixtrans-63.5-39.4176.8-173.4-92.7000112.8L488 D490 L496L488-H492 WeakPolarHBondContact O-CB 3.31Å; L488-H492 PolarHBondContact O-N 3.12Å; D490-H492 VanDerWaalsContact C-N 3.3Å; D490-H492 PolarHBondContact O-N 3.26Å; H492-L496 WeakPolarHBondContact O-CG 3.21Å; H492-L496 PolarHBondContact O-N 3.43Å; H492-L496 VanDerWaalsContact O-N 3.08Å
493R95.4Very high94.7Very high139 Ų13994.1 Ų94.153%0.52548%0.482SS..Hα-helixtrans-68.6-40.6174.8-69.2-167.5-48.8-74.411.5111.8R489 D490 E491 L496 R497R489-R493 WeakPolarHBondContact O-CG 3.3Å; R489-R493 PolarHBondContact O-N 2.96Å; R489-R493 VanDerWaalsContact O-N 3.14Å; R489-R493 PolarHBondContact O-NH1 3.31Å; D490-R493 PolarHBondContact O-N 3.05Å; D490-R493 VanDerWaalsContact O-N 3.16Å; D490-R493 IonicContact OD1-CZ 3.92Å; D490-R493 IonicContact OD1-NH1 2.72Å; D490-R493 PolarHBondContact OD1-NH1 2.95Å; D490-R493 IonicContact OD1-NH2 2.83Å; D490-R493 PolarHBondContact OD1-NH2 2.83Å; D490-R493 IonicContact OD2-NH2 3.6Å; D490-R493 PolarHBondContact OD2-NH2 2.95Å; E491-R493 PolarHBondContact O-N 3.36Å; R493-L496 PolarHBondContact O-N 2.81Å; R493-R497 PolarHBondContact O-N 2.82Å
494E94.7Very high94.8Very high56 Ų5696 Ų9626%0.26248%0.481SS..Hα-helixtrans-60.6-46.2175177.862.4-15700111.6D490 E491 L496 R497 R498D490-E494 WeakPolarHBondContact O-CB 3.49Å; D490-E494 PolarHBondContact O-N 2.9Å; E491-E494 PolarHBondContact O-N 2.68Å; E494-L496 PolarHBondContact O-N 3.09Å; E494-R497 VanDerWaalsContact CD-NH2 3.33Å; E494-R497 PolarHBondContact O-N 3.02Å; E494-R497 VanDerWaalsContact O-N 3.17Å; E494-R497 IonicContact OE1-CZ 2.68Å; E494-R497 IonicContact OE1-NH1 2.76Å; E494-R497 IonicContact OE1-NH2 2.72Å; E494-R497 PolarHBondContact OE1-NH2 2.75Å; E494-R497 IonicContact OE2-CZ 2.64Å; E494-R497 VanDerWaalsContact OE2-CZ 3.29Å; E494-R497 IonicContact OE2-NH1 2.84Å; E494-R497 PolarHBondContact OE2-NH1 3.34Å; E494-R497 IonicContact OE2-NH2 2.98Å; E494-R497 PolarHBondContact OE2-NH2 3.06Å; E494-R497 VanDerWaalsContact OE2-NH2 3.11Å; E494-R498 PolarHBondContact O-N 3.46Å; E494-R498 IonicContact OE1-CZ 2.66Å; E494-R498 IonicContact OE1-NE 2.86Å; E494-R498 PolarHBondContact OE1-NE 3.33Å; E494-R498 IonicContact OE1-NH2 2.72Å; E494-R498 PolarHBondContact OE1-NH2 3.41Å
495K95.8Very high94.8Very high145 Ų145101.8 Ų101.863%0.6349%0.491SS*.Hα-helixtrans-61.9-41.7176.9-173.7174.2-176.5173.50112.4E491 R497 A499E491-K495 VanDerWaalsContact O-CB 3.3Å; E491-K495 WeakPolarHBondContact O-CB 3.35Å; E491-K495 PolarHBondContact O-N 3.36Å; K495-R497 VanDerWaalsContact C-N 3.35Å; K495-A499 WeakPolarHBondContact O-CB 3.35Å; K495-A499 PolarHBondContact O-N 3.21Å
496L95.5Very high94.8Very high101 Ų101102.9 Ų102.953%0.52949%0.493SS..Hα-helixtrans-62.9-39173.4-77.1172.9000112.3H492 R493 E494 A499 A500H492-L496 WeakPolarHBondContact O-CG 3.21Å; H492-L496 PolarHBondContact O-N 3.43Å; H492-L496 VanDerWaalsContact O-N 3.08Å; R493-L496 PolarHBondContact O-N 2.81Å; E494-L496 PolarHBondContact O-N 3.09Å; L496-A499 PolarHBondContact O-N 3.38Å; L496-A500 PolarHBondContact O-N 2.96Å
497R95.3Very high95Very high121 Ų121105.4 Ų105.446%0.45750%0.497SS..Hα-helixtrans-65.6-47.3178.8-156.8-169.865.9-106.1-16.6111.5R493 E494 K495 A499 A500 E501R493-R497 PolarHBondContact O-N 2.82Å; E494-R497 VanDerWaalsContact CD-NH2 3.33Å; E494-R497 PolarHBondContact O-N 3.02Å; E494-R497 VanDerWaalsContact O-N 3.17Å; E494-R497 IonicContact OE1-CZ 2.68Å; E494-R497 IonicContact OE1-NH1 2.76Å; E494-R497 IonicContact OE1-NH2 2.72Å; E494-R497 PolarHBondContact OE1-NH2 2.75Å; E494-R497 IonicContact OE2-CZ 2.64Å; E494-R497 VanDerWaalsContact OE2-CZ 3.29Å; E494-R497 IonicContact OE2-NH1 2.84Å; E494-R497 PolarHBondContact OE2-NH1 3.34Å; E494-R497 IonicContact OE2-NH2 2.98Å; E494-R497 PolarHBondContact OE2-NH2 3.06Å; E494-R497 VanDerWaalsContact OE2-NH2 3.11Å; K495-R497 VanDerWaalsContact C-N 3.35Å; R497-A499 PolarHBondContact O-N 3.22Å; R497-A500 WeakPolarHBondContact O-CB 3.36Å; R497-A500 PolarHBondContact O-N 3.07Å; R497-A500 VanDerWaalsContact O-N 3.1Å; R497-E501 WeakPolarHBondContact CD-OE1 3.49Å; R497-E501 WeakPolarHBondContact CG-OE1 3.39Å; R497-E501 IonicContact CZ-OE1 3.31Å; R497-E501 IonicContact NE-OE1 3.84Å; R497-E501 PolarHBondContact NE-OE1 3.3Å; R497-E501 IonicContact NH2-OE1 3.79Å; R497-E501 WeakPolarHBondContact O-CG 3.4Å; R497-E501 PolarHBondContact O-N 3.36Å
498R95.6Very high94.9Very high135 Ų135108.1 Ų108.151%0.50950%0.499SS..Hα-helixtrans-59.6-43.6175.7-64.7178.3-163.2169.73.3112.3E494 A500 E501 E502E494-R498 PolarHBondContact O-N 3.46Å; E494-R498 IonicContact OE1-CZ 2.66Å; E494-R498 IonicContact OE1-NE 2.86Å; E494-R498 PolarHBondContact OE1-NE 3.33Å; E494-R498 IonicContact OE1-NH2 2.72Å; E494-R498 PolarHBondContact OE1-NH2 3.41Å; R498-A500 VanDerWaalsContact C-N 3.27Å; R498-A500 PolarHBondContact O-N 3.05Å; R498-E501 PolarHBondContact O-N 3.43Å; R498-E502 WeakPolarHBondContact O-CB 3.43Å; R498-E502 WeakPolarHBondContact O-CG 3.3Å; R498-E502 PolarHBondContact O-N 2.92Å
499A95.1Very high94.9Very high52 Ų52107.4 Ų107.443%0.4350%0.495SS..Hα-helixtrans-62.2-34.1175.900000112.7K495 L496 R497 A503K495-A499 WeakPolarHBondContact O-CB 3.35Å; K495-A499 PolarHBondContact O-N 3.21Å; L496-A499 PolarHBondContact O-N 3.38Å; R497-A499 PolarHBondContact O-N 3.22Å; A499-A503 VanDerWaalsContact O-CB 3.22Å; A499-A503 WeakPolarHBondContact O-CB 3.3Å; A499-A503 PolarHBondContact O-N 2.87Å
500A94.3Very high94.9Very high56 Ų56106.6 Ų106.646%0.46350%0.497SS..Hα-helixtrans-71.5-41.7174.400000112.6L496 R497 R498 A503 E504L496-A500 PolarHBondContact O-N 2.96Å; R497-A500 WeakPolarHBondContact O-CB 3.36Å; R497-A500 PolarHBondContact O-N 3.07Å; R497-A500 VanDerWaalsContact O-N 3.1Å; R498-A500 VanDerWaalsContact C-N 3.27Å; R498-A500 PolarHBondContact O-N 3.05Å; A500-A503 PolarHBondContact O-N 3.29Å; A500-E504 WeakPolarHBondContact O-CB 3.47Å; A500-E504 PolarHBondContact O-N 3.14Å
501E95.1Very high94.9Very high96 Ų96107.9 Ų107.945%0.44950%0.503SS..Hα-helixtrans-60.7-46.8174.3-68.8160.6-165.300111.2R497 R498 E504 R505R497-E501 WeakPolarHBondContact CD-OE1 3.49Å; R497-E501 WeakPolarHBondContact CG-OE1 3.39Å; R497-E501 IonicContact CZ-OE1 3.31Å; R497-E501 IonicContact NE-OE1 3.84Å; R497-E501 PolarHBondContact NE-OE1 3.3Å; R497-E501 IonicContact NH2-OE1 3.79Å; R497-E501 WeakPolarHBondContact O-CG 3.4Å; R497-E501 PolarHBondContact O-N 3.36Å; R498-E501 PolarHBondContact O-N 3.43Å; E501-E504 PolarHBondContact O-N 3.42Å; E501-R505 PolarHBondContact O-N 3.29Å
502E94.4Very high94.8Very high121 Ų121104.6 Ų104.657%0.56550%0.498SS*.Hα-helixtrans-62.9-44.3175.1-74.3175.8-164.500112.3R498 E504 R505 Q506R498-E502 WeakPolarHBondContact O-CB 3.43Å; R498-E502 WeakPolarHBondContact O-CG 3.3Å; R498-E502 PolarHBondContact O-N 2.92Å; E502-E504 VanDerWaalsContact C-N 3.3Å; E502-E504 PolarHBondContact O-N 3.01Å; E502-R505 PolarHBondContact O-N 2.88Å; E502-Q506 WeakPolarHBondContact O-CG 3.48Å; E502-Q506 PolarHBondContact O-N 2.76Å
503A94.3Very high94.8Very high33 Ų33105 Ų10527%0.27350%0.5SS..Hα-helixtrans-65.2-32.7176.400000112.3A499 A500 R507A499-A503 VanDerWaalsContact O-CB 3.22Å; A499-A503 WeakPolarHBondContact O-CB 3.3Å; A499-A503 PolarHBondContact O-N 2.87Å; A500-A503 PolarHBondContact O-N 3.29Å; A503-R507 WeakPolarHBondContact O-CG 3.27Å; A503-R507 PolarHBondContact O-N 2.9Å; A503-R507 PolarHBondContact O-NH1 3.48Å
504E94.6Very high94.7Very high100 Ų100104.2 Ų104.247%0.46750%0.5SS..Hα-helixtrans-68.6-44.5172.6-169.4162.516300112A500 E501 E502 Q506 R507 Q508A500-E504 WeakPolarHBondContact O-CB 3.47Å; A500-E504 PolarHBondContact O-N 3.14Å; E501-E504 PolarHBondContact O-N 3.42Å; E502-E504 VanDerWaalsContact C-N 3.3Å; E502-E504 PolarHBondContact O-N 3.01Å; E504-Q506 VanDerWaalsContact C-N 3.27Å; E504-Q506 PolarHBondContact O-N 2.77Å; E504-R507 VanDerWaalsContact CB-NH2 3.34Å; E504-R507 PolarHBondContact O-N 3.24Å; E504-R507 VanDerWaalsContact O-N 3.1Å; E504-R507 IonicContact OE2-NH2 3.11Å; E504-Q508 WeakPolarHBondContact O-CG 3.29Å; E504-Q508 PolarHBondContact O-N 3.23Å
505R96Very high94.6Very high175 Ų175106 Ų10666%0.6651%0.511SS*.Hα-helixtrans-57.8-40.1173.9-171.2174.3-177.4-109.1-0.9111.8E501 E502 Q508 I509E501-R505 PolarHBondContact O-N 3.29Å; E502-R505 PolarHBondContact O-N 2.88Å; R505-Q508 PolarHBondContact O-N 3.4Å; R505-I509 HydrophobicContact CG-CD1 4.2Å; R505-I509 WeakPolarHBondContact O-CD1 3.48Å; R505-I509 VanDerWaalsContact O-CG1 3.29Å; R505-I509 WeakPolarHBondContact O-CG1 3.4Å; R505-I509 PolarHBondContact O-N 3.47Å
506Q94.1Very high94.5Very high117 Ų117102.9 Ų102.955%0.54750%0.499SS..Hα-helixtrans-63.7-44.4173.4-71.5179.216.500112.4E502 E504 Q508 I509 Q510E502-Q506 WeakPolarHBondContact O-CG 3.48Å; E502-Q506 PolarHBondContact O-N 2.76Å; E504-Q506 VanDerWaalsContact C-N 3.27Å; E504-Q506 PolarHBondContact O-N 2.77Å; Q506-Q508 VanDerWaalsContact C-N 3.35Å; Q506-Q508 PolarHBondContact O-N 2.81Å; Q506-I509 PolarHBondContact O-N 2.91Å; Q506-Q510 WeakPolarHBondContact O-CG 3.31Å; Q506-Q510 PolarHBondContact O-N 2.99Å
507R95.4Very high94.4Very high134 Ų134101.9 Ų101.951%0.50649%0.493SS..Hα-helixtrans-60.7-41.5175.3-72.5-173.9-57.9-87.25.8112.3A503 E504 Q510 L511A503-R507 WeakPolarHBondContact O-CG 3.27Å; A503-R507 PolarHBondContact O-N 2.9Å; A503-R507 PolarHBondContact O-NH1 3.48Å; E504-R507 VanDerWaalsContact CB-NH2 3.34Å; E504-R507 PolarHBondContact O-N 3.24Å; E504-R507 VanDerWaalsContact O-N 3.1Å; E504-R507 IonicContact OE2-NH2 3.11Å; R507-Q510 PolarHBondContact O-N 3.22Å; R507-L511 WeakPolarHBondContact O-CB 3.44Å; R507-L511 PolarHBondContact O-N 3.01Å
508Q94.2Very high94.1Very high118 Ų11899.8 Ų99.855%0.55149%0.489SS*.Hα-helixtrans-63.1-42.7176.5-69.6178.79.400111.8E504 R505 Q506 L511 A512E504-Q508 WeakPolarHBondContact O-CG 3.29Å; E504-Q508 PolarHBondContact O-N 3.23Å; R505-Q508 PolarHBondContact O-N 3.4Å; Q506-Q508 VanDerWaalsContact C-N 3.35Å; Q506-Q508 PolarHBondContact O-N 2.81Å; Q508-L511 PolarHBondContact O-N 3.08Å; Q508-A512 WeakPolarHBondContact O-CB 3.47Å; Q508-A512 PolarHBondContact O-N 2.66Å
509I95.1Very high94Very high94 Ų94101 Ų10148%0.48249%0.494SS..Hα-helixtrans-63.8-44.4176.3-68.6164.5000111.2R505 Q506 L511 A512 Q513R505-I509 HydrophobicContact CG-CD1 4.2Å; R505-I509 WeakPolarHBondContact O-CD1 3.48Å; R505-I509 VanDerWaalsContact O-CG1 3.29Å; R505-I509 WeakPolarHBondContact O-CG1 3.4Å; R505-I509 PolarHBondContact O-N 3.47Å; Q506-I509 PolarHBondContact O-N 2.91Å; I509-L511 PolarHBondContact O-N 3.14Å; I509-A512 PolarHBondContact O-N 2.88Å; I509-Q513 WeakPolarHBondContact O-CB 3.47Å; I509-Q513 PolarHBondContact O-N 3.47Å
510Q94.2Very high94Very high123 Ų123103.2 Ų103.258%0.57550%0.495SS*.Hα-helixtrans-62-41.3176.3-72.3174.83.300112.3Q506 R507 Q513 K514Q506-Q510 WeakPolarHBondContact O-CG 3.31Å; Q506-Q510 PolarHBondContact O-N 2.99Å; R507-Q510 PolarHBondContact O-N 3.22Å; Q510-Q513 PolarHBondContact O-N 3.19Å; Q510-K514 PolarHBondContact O-N 3.27Å
511L93.4Very high93.9Very high108 Ų108107.1 Ų107.157%0.56550%0.502SS*.Hα-helixtrans-65.2-44.4176.3-178.960.6000111.6R507 Q508 I509 Q513 K514 L515R507-L511 WeakPolarHBondContact O-CB 3.44Å; R507-L511 PolarHBondContact O-N 3.01Å; Q508-L511 PolarHBondContact O-N 3.08Å; I509-L511 PolarHBondContact O-N 3.14Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 3.35Å; L511-K514 PolarHBondContact O-N 3.48Å; L511-L515 HydrophobicContact CD1-CD1 4.46Å; L511-L515 HydrophobicContact CD1-CG 4.48Å; L511-L515 HydrophobicContact CG-CD1 4.19Å; L511-L515 WeakPolarHBondContact O-CB 3.45Å; L511-L515 WeakPolarHBondContact O-CG 3.47Å; L511-L515 PolarHBondContact O-N 3.06Å
512A93.8Very high93.7Very high57 Ų57106.7 Ų106.747%0.47150%0.499SS..Hα-helixtrans-60.8-42.2175.300000111.8Q508 I509 L515 E516Q508-A512 WeakPolarHBondContact O-CB 3.47Å; Q508-A512 PolarHBondContact O-N 2.66Å; I509-A512 PolarHBondContact O-N 2.88Å; A512-L515 PolarHBondContact O-N 3.18Å; A512-E516 PolarHBondContact O-N 3.49Å
513Q94.8Very high93.6Very high124 Ų124107.4 Ų107.458%0.57950%0.502SS*.Hα-helixtrans-63.7-43.2175.2-170.8-1808.800112I509 Q510 L511 L515 E516 I517I509-Q513 WeakPolarHBondContact O-CB 3.47Å; I509-Q513 PolarHBondContact O-N 3.47Å; Q510-Q513 PolarHBondContact O-N 3.19Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 3.35Å; Q513-L515 PolarHBondContact O-N 3.32Å; Q513-E516 PolarHBondContact O-N 3.14Å; Q513-I517 HydrophobicContact CG-CD1 4.16Å; Q513-I517 WeakPolarHBondContact O-CG1 3.21Å; Q513-I517 PolarHBondContact O-N 3.01Å
514K92.8Very high93.5Very high122 Ų122112.1 Ų112.153%0.5352%0.518SS..Hα-helixtrans-62.1-42.6174.9-171.6179.2179.2-175.30111.3Q510 L511 E516 I517 M518Q510-K514 PolarHBondContact O-N 3.27Å; L511-K514 PolarHBondContact O-N 3.48Å; K514-E516 VanDerWaalsContact C-N 3.33Å; K514-E516 PolarHBondContact O-N 3.42Å; K514-I517 PolarHBondContact O-N 2.95Å; K514-M518 HydrophobicContact CG-CG 4.46Å; K514-M518 WeakPolarHBondContact O-CG 3.46Å; K514-M518 PolarHBondContact O-N 3.02Å
515L93Very high93.4Very high93 Ų93113.1 Ų113.149%0.48752%0.519SS..Hα-helixtrans-63.4-36.7177.4-73.6169.6000112.6L511 A512 Q513 M518 R519L511-L515 HydrophobicContact CD1-CD1 4.46Å; L511-L515 HydrophobicContact CD1-CG 4.48Å; L511-L515 HydrophobicContact CG-CD1 4.19Å; L511-L515 WeakPolarHBondContact O-CB 3.45Å; L511-L515 WeakPolarHBondContact O-CG 3.47Å; L511-L515 PolarHBondContact O-N 3.06Å; A512-L515 PolarHBondContact O-N 3.18Å; Q513-L515 PolarHBondContact O-N 3.32Å; L515-M518 WeakPolarHBondContact O-CB 3.49Å; L515-M518 PolarHBondContact O-N 3.32Å; L515-R519 WeakPolarHBondContact O-CG 3.27Å; L515-R519 PolarHBondContact O-N 3.35Å
516E93.6Very high93.2Very high80 Ų80108.8 Ų108.837%0.37451%0.508SS..Hα-helixtrans-72.5-38.6177.3-164.154.9-147.800112.1A512 Q513 K514 M518 R519 Q520A512-E516 PolarHBondContact O-N 3.49Å; Q513-E516 PolarHBondContact O-N 3.14Å; K514-E516 VanDerWaalsContact C-N 3.33Å; K514-E516 PolarHBondContact O-N 3.42Å; E516-M518 VanDerWaalsContact C-N 3.31Å; E516-M518 PolarHBondContact O-N 2.91Å; E516-R519 WeakPolarHBondContact O-CB 3.49Å; E516-R519 PolarHBondContact O-N 2.91Å; E516-R519 WeakPolarHBondContact OE2-CD 3.21Å; E516-R519 IonicContact OE2-CZ 3.55Å; E516-R519 IonicContact OE2-NE 2.69Å; E516-R519 IonicContact OE2-NH1 2.66Å; E516-R519 PolarHBondContact OE2-NH1 3.02Å; E516-Q520 WeakPolarHBondContact O-CG 3.48Å; E516-Q520 PolarHBondContact O-N 2.89Å
517I94.1Very high93.1Very high81 Ų81108.2 Ų108.242%0.41551%0.505SS..Hα-helixtrans-61.2-39.8170.4-67.1164.7000111.1Q513 K514 Q520 K521Q513-I517 HydrophobicContact CG-CD1 4.16Å; Q513-I517 WeakPolarHBondContact O-CG1 3.21Å; Q513-I517 PolarHBondContact O-N 3.01Å; K514-I517 PolarHBondContact O-N 2.95Å; I517-Q520 PolarHBondContact O-N 3.37Å; I517-K521 WeakPolarHBondContact O-CG 3.43Å; I517-K521 PolarHBondContact O-N 3.1Å
518M88.2Confident93.1Very high76 Ų76106.3 Ų106.337%0.37450%0.503SS..Hα-helixtrans-63-39.5174.9-67.7-90.8-73.100112L279 K514 L515 E516 K522L279-M518 HydrophobicContact CD1-CE 4.35Å; K514-M518 HydrophobicContact CG-CG 4.46Å; K514-M518 WeakPolarHBondContact O-CG 3.46Å; K514-M518 PolarHBondContact O-N 3.02Å; L515-M518 WeakPolarHBondContact O-CB 3.49Å; L515-M518 PolarHBondContact O-N 3.32Å; E516-M518 VanDerWaalsContact C-N 3.31Å; E516-M518 PolarHBondContact O-N 2.91Å; M518-K522 WeakPolarHBondContact O-CB 3.45Å; M518-K522 PolarHBondContact O-N 3.35Å
519R94.2Very high92.9Very high161 Ų161105.5 Ų105.561%0.60850%0.5SS*.Hα-helixtrans-65.5-44.2175.2-74.5164.3169.5-179.1-3.7112.2L515 E516 K522 Q523L515-R519 WeakPolarHBondContact O-CG 3.27Å; L515-R519 PolarHBondContact O-N 3.35Å; E516-R519 WeakPolarHBondContact O-CB 3.49Å; E516-R519 PolarHBondContact O-N 2.91Å; E516-R519 WeakPolarHBondContact OE2-CD 3.21Å; E516-R519 IonicContact OE2-CZ 3.55Å; E516-R519 IonicContact OE2-NE 2.69Å; E516-R519 IonicContact OE2-NH1 2.66Å; E516-R519 PolarHBondContact OE2-NH1 3.02Å; R519-K522 WeakPolarHBondContact O-CB 3.37Å; R519-K522 PolarHBondContact O-N 3.12Å; R519-Q523 PolarHBondContact O-N 3.11Å
520Q94.4Very high92.8Very high98 Ų98109.6 Ų109.646%0.45851%0.509SS..Hα-helixtrans-61.8-49.9177.9-70.9170.38.100110.7E516 I517 K522 Q523 E524E516-Q520 WeakPolarHBondContact O-CG 3.48Å; E516-Q520 PolarHBondContact O-N 2.89Å; I517-Q520 PolarHBondContact O-N 3.37Å; Q520-K522 VanDerWaalsContact C-N 3.33Å; Q520-K522 PolarHBondContact O-N 3.37Å; Q520-Q523 WeakPolarHBondContact O-CB 3.47Å; Q520-Q523 PolarHBondContact O-N 3.47Å; Q520-E524 WeakPolarHBondContact O-CG 3.29Å; Q520-E524 PolarHBondContact O-N 3.38Å
521K93Very high92.8Very high138 Ų138109.2 Ų109.260%0.651%0.507SS*.Hα-helixtrans-57.2-41.2173.7-75-172.5172.7-1680113.3I517 Q523 E524 Y525I517-K521 WeakPolarHBondContact O-CG 3.43Å; I517-K521 PolarHBondContact O-N 3.1Å; K521-Q523 VanDerWaalsContact C-N 3.34Å; K521-E524 PolarHBondContact O-N 2.96Å; K521-Y525 WeakPolarHBondContact O-CB 3.39Å; K521-Y525 PolarHBondContact O-N 3.05Å
522K90.3Very high92.9Very high88 Ų88107.7 Ų107.738%0.38350%0.499SS..Hα-helixtrans-60.9-42.9174.2179.4-169.8172.9179.50111.3L283 M518 R519 Q520 L526L283-K522 HydrophobicContact CD2-CD 3.8Å; M518-K522 WeakPolarHBondContact O-CB 3.45Å; M518-K522 PolarHBondContact O-N 3.35Å; R519-K522 WeakPolarHBondContact O-CB 3.37Å; R519-K522 PolarHBondContact O-N 3.12Å; Q520-K522 VanDerWaalsContact C-N 3.33Å; Q520-K522 PolarHBondContact O-N 3.37Å; K522-L526 HydrophobicContact CG-CD1 4.01Å; K522-L526 WeakPolarHBondContact O-CB 3.48Å; K522-L526 VanDerWaalsContact O-CG 3.28Å; K522-L526 WeakPolarHBondContact O-CG 3.47Å; K522-L526 PolarHBondContact O-N 3.22Å
523Q91.5Very high92.8Very high136 Ų136107.8 Ų107.864%0.63650%0.5SS*.Hα-helixtrans-66.2-46.2179.1-178.2174.8-26.300111.6R519 Q520 K521 Y525 L526 E527R519-Q523 PolarHBondContact O-N 3.11Å; Q520-Q523 WeakPolarHBondContact O-CB 3.47Å; Q520-Q523 PolarHBondContact O-N 3.47Å; K521-Q523 VanDerWaalsContact C-N 3.34Å; Q523-Y525 PolarHBondContact O-N 3.14Å; Q523-L526 PolarHBondContact O-N 2.93Å; Q523-E527 PolarHBondContact O-N 2.92Å
524E92.8Very high92.7Very high131 Ų131105.6 Ų105.661%0.61249%0.491SS*.Hα-helixtrans-57.8-45.6174.9-69170.5159.900111.7Q520 K521 E527 M528Q520-E524 WeakPolarHBondContact O-CG 3.29Å; Q520-E524 PolarHBondContact O-N 3.38Å; K521-E524 PolarHBondContact O-N 2.96Å; E524-E527 PolarHBondContact O-N 3.02Å; E524-M528 WeakPolarHBondContact O-CB 3.33Å; E524-M528 PolarHBondContact O-N 3.31Å
525Y92.1Very high92.8Very high122 Ų122105.5 Ų105.548%0.47849%0.493SS..Hα-helixtrans-62.5-45.2177.3179.7-90.2000112.6K521 Q523 E527 M528 Q529K521-Y525 WeakPolarHBondContact O-CB 3.39Å; K521-Y525 PolarHBondContact O-N 3.05Å; Q523-Y525 PolarHBondContact O-N 3.14Å; Y525-E527 VanDerWaalsContact C-N 3.31Å; Y525-E527 PolarHBondContact O-N 3.24Å; Y525-M528 HydrophobicContact CD2-CE 3.85Å; Y525-M528 HydrophobicContact CE2-CE 4Å; Y525-M528 PolarHBondContact O-N 3.29Å; Y525-Q529 WeakPolarHBondContact O-CB 3.2Å; Y525-Q529 PolarHBondContact O-N 2.86Å
526L92.9Very high92.7Very high83 Ų83109.3 Ų109.344%0.43550%0.501SS..Hα-helixtrans-65.1-34.6176.5-73170.5000112.1K522 Q523 R530K522-L526 HydrophobicContact CG-CD1 4.01Å; K522-L526 WeakPolarHBondContact O-CB 3.48Å; K522-L526 VanDerWaalsContact O-CG 3.28Å; K522-L526 WeakPolarHBondContact O-CG 3.47Å; K522-L526 PolarHBondContact O-N 3.22Å; Q523-L526 PolarHBondContact O-N 2.93Å; L526-R530 WeakPolarHBondContact O-CB 3.27Å; L526-R530 PolarHBondContact O-N 3.41Å
527E91.9Very high92.7Very high105 Ų105110.7 Ų110.749%0.49151%0.51SS..Hα-helixtrans-69.2-45.4174.2-169.9173.116200111.7Q523 E524 Y525 Q529 R530 Q531Q523-E527 PolarHBondContact O-N 2.92Å; E524-E527 PolarHBondContact O-N 3.02Å; Y525-E527 VanDerWaalsContact C-N 3.31Å; Y525-E527 PolarHBondContact O-N 3.24Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-Q529 PolarHBondContact O-N 3.46Å; E527-R530 WeakPolarHBondContact O-CB 3.3Å; E527-R530 PolarHBondContact O-N 3.31Å; E527-R530 VanDerWaalsContact O-N 3.12Å; E527-Q531 HydrophobicContact CG-CG 4.47Å; E527-Q531 WeakPolarHBondContact O-CG 3.31Å; E527-Q531 PolarHBondContact O-N 2.96Å; E527-Q531 PolarHBondContact OE1-NE2 3.5Å
528M94Very high92.6Very high94 Ų94111.6 Ų111.646%0.46351%0.513SS..Hα-helixtrans-56-45.5172.8-179.4-169.169.200111.4E524 Y525 R530 Q531 L532E524-M528 WeakPolarHBondContact O-CB 3.33Å; E524-M528 PolarHBondContact O-N 3.31Å; Y525-M528 HydrophobicContact CD2-CE 3.85Å; Y525-M528 HydrophobicContact CE2-CE 4Å; Y525-M528 PolarHBondContact O-N 3.29Å; M528-R530 VanDerWaalsContact C-N 3.31Å; M528-R530 PolarHBondContact O-N 3.33Å; M528-Q531 PolarHBondContact O-N 3.05Å; M528-L532 HydrophobicContact CG-CD1 4.17Å; M528-L532 WeakPolarHBondContact O-CG 3.45Å; M528-L532 PolarHBondContact O-N 3.33Å
529Q91.3Very high92.7Very high102 Ų102114.3 Ų114.348%0.47753%0.525SS..Hα-helixtrans-60.5-40.7176.7-167.8-177.232.500111.7Y525 E527 A533Y525-Q529 WeakPolarHBondContact O-CB 3.2Å; Y525-Q529 PolarHBondContact O-N 2.86Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-Q529 PolarHBondContact O-N 3.46Å; Q529-A533 WeakPolarHBondContact O-CB 3.36Å; Q529-A533 PolarHBondContact O-N 2.9Å
530R93.5Very high92.5Very high180 Ų180112.2 Ų112.268%0.67952%0.522SS*.Hα-helixtrans-66-42.1175-175.2-177.4-179-167.70.8112.2L526 E527 M528 A533 I534L526-R530 WeakPolarHBondContact O-CB 3.27Å; L526-R530 PolarHBondContact O-N 3.41Å; E527-R530 WeakPolarHBondContact O-CB 3.3Å; E527-R530 PolarHBondContact O-N 3.31Å; E527-R530 VanDerWaalsContact O-N 3.12Å; M528-R530 VanDerWaalsContact C-N 3.31Å; M528-R530 PolarHBondContact O-N 3.33Å; R530-A533 PolarHBondContact O-N 3.47Å; R530-I534 HydrophobicContact CG-CD1 4.13Å; R530-I534 WeakPolarHBondContact O-CG1 3.24Å; R530-I534 PolarHBondContact O-N 2.91Å
531Q93.8Very high92.3Very high114 Ų114113 Ų11353%0.53353%0.525SS..Hα-helixtrans-62.9-45.3176.8-69.9179.117.300111.1E527 M528 A533 I534 Q535E527-Q531 HydrophobicContact CG-CG 4.47Å; E527-Q531 WeakPolarHBondContact O-CG 3.31Å; E527-Q531 PolarHBondContact O-N 2.96Å; E527-Q531 PolarHBondContact OE1-NE2 3.5Å; M528-Q531 PolarHBondContact O-N 3.05Å; Q531-A533 VanDerWaalsContact C-N 3.34Å; Q531-A533 PolarHBondContact O-N 3.34Å; Q531-I534 PolarHBondContact O-N 3.47Å; Q531-Q535 PolarHBondContact O-N 3.34Å
532L94.3Very high92.1Very high76 Ų76112.8 Ų112.840%0.39852%0.524SS..Hα-helixtrans-61.5-38.2174.8-71.8168.4000112.7M528 Q535 R536M528-L532 HydrophobicContact CG-CD1 4.17Å; M528-L532 WeakPolarHBondContact O-CG 3.45Å; M528-L532 PolarHBondContact O-N 3.33Å; L532-Q535 PolarHBondContact O-N 2.98Å; L532-R536 WeakPolarHBondContact O-CG 3.47Å; L532-R536 PolarHBondContact O-N 3.19Å; L532-R536 VanDerWaalsContact O-N 3.11Å
533A91.9Very high92.1Very high59 Ų59113.2 Ų113.249%0.48853%0.528SS..Hα-helixtrans-65.3-41.817500000112.3Q529 R530 Q531 L537Q529-A533 WeakPolarHBondContact O-CB 3.36Å; Q529-A533 PolarHBondContact O-N 2.9Å; R530-A533 PolarHBondContact O-N 3.47Å; Q531-A533 VanDerWaalsContact C-N 3.34Å; Q531-A533 PolarHBondContact O-N 3.34Å; A533-L537 PolarHBondContact O-N 2.73Å; A533-L537 VanDerWaalsContact O-N 3.16Å
534I94Very high91.9Very high78 Ų78113.9 Ų113.940%0.452%0.524SS..Hα-helixtrans-64.7-40.8175-68164.7000110.8R530 Q531 L537 Q538R530-I534 HydrophobicContact CG-CD1 4.13Å; R530-I534 WeakPolarHBondContact O-CG1 3.24Å; R530-I534 PolarHBondContact O-N 2.91Å; Q531-I534 PolarHBondContact O-N 3.47Å; I534-L537 WeakPolarHBondContact O-CB 3.25Å; I534-L537 PolarHBondContact O-N 2.94Å; I534-Q538 WeakPolarHBondContact O-CG 3.43Å; I534-Q538 PolarHBondContact O-N 3.41Å
535Q93.3Very high91.7Very high121 Ų121113.8 Ų113.857%0.56552%0.524SS*.Hα-helixtrans-60.5-47.2178.1-171.1177.918.700111.8Q531 L532 L537 Q538 E539Q531-Q535 PolarHBondContact O-N 3.34Å; L532-Q535 PolarHBondContact O-N 2.98Å; Q535-L537 VanDerWaalsContact C-N 3.29Å; Q535-L537 PolarHBondContact O-N 2.71Å; Q535-Q538 PolarHBondContact O-N 2.92Å; Q535-E539 WeakPolarHBondContact O-CB 3.25Å; Q535-E539 PolarHBondContact O-N 3.38Å
536R92.6Very high91.5Very high172 Ų172114.3 Ų114.365%0.64953%0.532SS*.Hα-helixtrans-60.6-37175-68.9178-169.8-176.54.3112.5L532 E539 Q540L532-R536 WeakPolarHBondContact O-CG 3.47Å; L532-R536 PolarHBondContact O-N 3.19Å; L532-R536 VanDerWaalsContact O-N 3.11Å; R536-E539 PolarHBondContact O-N 2.95Å; R536-Q540 WeakPolarHBondContact O-CG 3.46Å; R536-Q540 PolarHBondContact O-N 3.34Å
537L92.8Very high91.2Very high110 Ų110118.1 Ų118.158%0.57654%0.541SS*.Hα-helixtrans-66-45.4177.3-16873.5000111.4A533 I534 Q535 E539 Q540 E541A533-L537 PolarHBondContact O-N 2.73Å; A533-L537 VanDerWaalsContact O-N 3.16Å; I534-L537 WeakPolarHBondContact O-CB 3.25Å; I534-L537 PolarHBondContact O-N 2.94Å; Q535-L537 VanDerWaalsContact C-N 3.29Å; Q535-L537 PolarHBondContact O-N 2.71Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 2.87Å; L537-Q540 PolarHBondContact O-N 2.78Å; L537-E541 WeakPolarHBondContact O-CB 3.4Å; L537-E541 PolarHBondContact O-N 2.91Å
538Q91.9Very high91Very high99 Ų99117.8 Ų117.846%0.46354%0.542SS..Hα-helixtrans-64.7-33.7175.9-69.9-179.14.200112.7I534 Q535 E541 K542I534-Q538 WeakPolarHBondContact O-CG 3.43Å; I534-Q538 PolarHBondContact O-N 3.41Å; Q535-Q538 PolarHBondContact O-N 2.92Å; Q538-E541 PolarHBondContact O-N 3.31Å; Q538-K542 WeakPolarHBondContact O-CB 3.33Å; Q538-K542 VanDerWaalsContact O-CG 3.3Å; Q538-K542 WeakPolarHBondContact O-CG 3.37Å; Q538-K542 PolarHBondContact O-N 3.45Å
539E90.7Very high90.6Very high134 Ų134119 Ų11963%0.62655%0.547SS*.Hα-helixtrans-67-47.9175-175.5169-137.500111.6Q535 R536 L537 E541 K542 E543Q535-E539 WeakPolarHBondContact O-CB 3.25Å; Q535-E539 PolarHBondContact O-N 3.38Å; R536-E539 PolarHBondContact O-N 2.95Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 2.87Å; E539-E541 VanDerWaalsContact C-N 3.28Å; E539-E541 PolarHBondContact O-N 2.93Å; E539-K542 PolarHBondContact O-N 2.99Å; E539-E543 PolarHBondContact O-N 3.12Å
540Q90Very high90.3Very high117 Ų117120.5 Ų120.555%0.54755%0.553SS.*Hα-helixtrans-62.1-33.7173.6-72.7-176.91.200112.9R536 L537 R544R536-Q540 WeakPolarHBondContact O-CG 3.46Å; R536-Q540 PolarHBondContact O-N 3.34Å; L537-Q540 PolarHBondContact O-N 2.78Å; Q540-R544 VanDerWaalsContact O-CB 3.25Å; Q540-R544 WeakPolarHBondContact O-CB 3.48Å; Q540-R544 PolarHBondContact O-N 2.91Å
541E89.3Confident89.8Confident114 Ų114117.4 Ų117.453%0.53355%0.547SS..Hα-helixtrans-68.8-43.9175-173.8161.3-136.700111.6L537 Q538 E539 R544 Q545L537-E541 WeakPolarHBondContact O-CB 3.4Å; L537-E541 PolarHBondContact O-N 2.91Å; Q538-E541 PolarHBondContact O-N 3.31Å; E539-E541 VanDerWaalsContact C-N 3.28Å; E539-E541 PolarHBondContact O-N 2.93Å; E541-R544 PolarHBondContact O-N 2.94Å; E541-Q545 WeakPolarHBondContact O-CB 3.48Å; E541-Q545 PolarHBondContact O-N 3.27Å
542K90.3Very high89.4Confident134 Ų134119.5 Ų119.558%0.58355%0.554SS**Hα-helixtrans-62.7-43.2173.5-74.4170.6-176.8173.60112.6Q538 E539 Q545 M546Q538-K542 WeakPolarHBondContact O-CB 3.33Å; Q538-K542 VanDerWaalsContact O-CG 3.3Å; Q538-K542 WeakPolarHBondContact O-CG 3.37Å; Q538-K542 PolarHBondContact O-N 3.45Å; E539-K542 PolarHBondContact O-N 2.99Å; K542-Q545 PolarHBondContact O-N 3.29Å; K542-M546 WeakPolarHBondContact O-CB 3.32Å; K542-M546 PolarHBondContact O-N 2.93Å
543E89.5Confident88.8Confident97 Ų97121.4 Ų121.445%0.45356%0.561SS.*Hα-helixtrans-62.4-44.1176.4-162.5-152.7157.200110.9E539 Q545 M546 R547E539-E543 PolarHBondContact O-N 3.12Å; E543-Q545 VanDerWaalsContact C-N 3.35Å; E543-Q545 PolarHBondContact O-N 3.39Å; E543-M546 PolarHBondContact O-N 3.36Å; E543-R547 WeakPolarHBondContact O-CG 3.48Å; E543-R547 PolarHBondContact O-N 2.85Å; E543-R547 IonicContact OE1-CZ 3.09Å; E543-R547 IonicContact OE1-NE 2.77Å; E543-R547 PolarHBondContact OE1-NE 3.1Å; E543-R547 VanDerWaalsContact OE1-NE 3.1Å; E543-R547 IonicContact OE1-NH2 2.67Å; E543-R547 PolarHBondContact OE1-NH2 2.87Å
544R86.1Confident88.1Confident150 Ų150122.8 Ų122.857%0.56656%0.563SS**Hα-helixtrans-60.6-43.4175.4-171.4-165.6-52.7173.75.1111.7Q540 E541 R547 L548Q540-R544 VanDerWaalsContact O-CB 3.25Å; Q540-R544 WeakPolarHBondContact O-CB 3.48Å; Q540-R544 PolarHBondContact O-N 2.91Å; E541-R544 PolarHBondContact O-N 2.94Å; R544-R547 PolarHBondContact O-N 3.05Å; R544-L548 HydrophobicContact CG-CD1 4.32Å; R544-L548 WeakPolarHBondContact O-CG 3.42Å; R544-L548 PolarHBondContact O-N 2.91Å
545Q88.7Confident87.3Confident129 Ų129124.1 Ų124.160%0.60357%0.57SS**Hα-helixtrans-66.1-44.2179.2-165.9170.434.200111.3E541 K542 E543 R547 L548 E549E541-Q545 WeakPolarHBondContact O-CB 3.48Å; E541-Q545 PolarHBondContact O-N 3.27Å; K542-Q545 PolarHBondContact O-N 3.29Å; E543-Q545 VanDerWaalsContact C-N 3.35Å; E543-Q545 PolarHBondContact O-N 3.39Å; Q545-R547 PolarHBondContact O-N 3.28Å; Q545-L548 PolarHBondContact O-N 3.33Å; Q545-E549 WeakPolarHBondContact O-CB 3.43Å; Q545-E549 PolarHBondContact O-N 2.93Å
546M88.9Confident86.5Confident132 Ų132124.4 Ų124.465%0.6557%0.571SS**Hα-helixtrans-62.4-41.1174.5-171.9-172.6-64.700112K542 E543 E549 Q550K542-M546 WeakPolarHBondContact O-CB 3.32Å; K542-M546 PolarHBondContact O-N 2.93Å; E543-M546 PolarHBondContact O-N 3.36Å; M546-E549 PolarHBondContact O-N 3.01Å; M546-Q550 WeakPolarHBondContact O-CB 3.37Å; M546-Q550 PolarHBondContact O-N 3.05Å
547R86.9Confident85.4Confident163 Ų163122.6 Ų122.662%0.61557%0.572SS**Hα-helixtrans-62.8-41.4173.2-79-173-175.3-177.25.6112.4E543 R544 Q545 E549 Q551E543-R547 WeakPolarHBondContact O-CG 3.48Å; E543-R547 PolarHBondContact O-N 2.85Å; E543-R547 IonicContact OE1-CZ 3.09Å; E543-R547 IonicContact OE1-NE 2.77Å; E543-R547 PolarHBondContact OE1-NE 3.1Å; E543-R547 VanDerWaalsContact OE1-NE 3.1Å; E543-R547 IonicContact OE1-NH2 2.67Å; E543-R547 PolarHBondContact OE1-NH2 2.87Å; R544-R547 PolarHBondContact O-N 3.05Å; Q545-R547 PolarHBondContact O-N 3.28Å; R547-E549 VanDerWaalsContact C-N 3.34Å; R547-Q551 WeakPolarHBondContact O-CB 3.28Å; R547-Q551 PolarHBondContact O-N 3.32Å
548L87.2Confident84.1Confident98 Ų98127 Ų12751%0.51358%0.581SS.*Hα-helixtrans-64.8-37.3176-75.7164.7000112R544 Q545 K552R544-L548 HydrophobicContact CG-CD1 4.32Å; R544-L548 WeakPolarHBondContact O-CG 3.42Å; R544-L548 PolarHBondContact O-N 2.91Å; Q545-L548 PolarHBondContact O-N 3.33Å; L548-K552 PolarHBondContact O-N 3.21Å
549E86.4Confident82.7Confident121 Ų121126.2 Ų126.257%0.56559%0.591SS**Hα-helixtrans-71.5-43.3176.3-172.8160.3-128.400112.4Q545 M546 R547 Q551 K552 H553Q545-E549 WeakPolarHBondContact O-CB 3.43Å; Q545-E549 PolarHBondContact O-N 2.93Å; M546-E549 PolarHBondContact O-N 3.01Å; R547-E549 VanDerWaalsContact C-N 3.34Å; E549-Q551 VanDerWaalsContact C-N 3.3Å; E549-Q551 PolarHBondContact O-N 2.94Å; E549-K552 WeakPolarHBondContact O-CB 3.46Å; E549-K552 PolarHBondContact O-N 3.33Å; E549-H553 PolarHBondContact O-N 2.96Å
550Q85.4Confident81.2Confident132 Ų132126.8 Ų126.862%0.61759%0.594SS**Hα-helixtrans-61.9-37.6171.8-175.3179.471.600111.9M546 H553 T554M546-Q550 WeakPolarHBondContact O-CB 3.37Å; M546-Q550 PolarHBondContact O-N 3.05Å; Q550-H553 PolarHBondContact O-N 3.49Å; Q550-T554 WeakPolarHBondContact O-CB 3.34Å; Q550-T554 PolarHBondContact O-N 2.92Å; Q550-T554 PolarHBondContact O-OG1 3.16Å
551Q82.1Confident79.4Confident115 Ų115128.2 Ų128.254%0.53760%0.602SS.*Hα-helixtrans-68.3-40.5174.8-171.9174.871.800111.5R547 E549 T554 I555R547-Q551 WeakPolarHBondContact O-CB 3.28Å; R547-Q551 PolarHBondContact O-N 3.32Å; E549-Q551 VanDerWaalsContact C-N 3.3Å; E549-Q551 PolarHBondContact O-N 2.94Å; Q551-T554 PolarHBondContact O-N 3.11Å; Q551-I555 HydrophobicContact CG-CD1 4.07Å; Q551-I555 WeakPolarHBondContact O-CB 3.43Å; Q551-I555 VanDerWaalsContact O-CG1 3.29Å; Q551-I555 WeakPolarHBondContact O-CG1 3.29Å; Q551-I555 PolarHBondContact O-N 3.21Å
552K85.4Confident77.5Confident158 Ų158128.9 Ų128.969%0.68762%0.617SS**Hα-helixtrans-57.3-50.4169.2-84.9-176.1174.6-178.90111.7L548 E549 T554 I555 Q556L548-K552 PolarHBondContact O-N 3.21Å; E549-K552 WeakPolarHBondContact O-CB 3.46Å; E549-K552 PolarHBondContact O-N 3.33Å; K552-T554 VanDerWaalsContact C-N 3.28Å; K552-T554 PolarHBondContact O-N 3.28Å; K552-I555 PolarHBondContact O-N 3.35Å; K552-Q556 WeakPolarHBondContact O-CB 3.15Å; K552-Q556 PolarHBondContact O-N 3.15Å
553H80.9Confident75.2Confident117 Ų117127.4 Ų127.454%0.54263%0.629SS.*Hα-helixtrans-57.2-42.1176.5-96.8-84.7000112E549 Q550 Q556 M557E549-H553 PolarHBondContact O-N 2.96Å; Q550-H553 PolarHBondContact O-N 3.49Å; H553-Q556 PolarHBondContact O-N 3.44Å; H553-M557 WeakPolarHBondContact O-CB 3.39Å; H553-M557 VanDerWaalsContact O-CG 3.27Å; H553-M557 WeakPolarHBondContact O-CG 3.4Å; H553-M557 PolarHBondContact O-N 3.09Å
554T76.9Confident72.9Confident87 Ų87132.8 Ų132.853%0.53465%0.652SS.*Hα-helixtrans-67-39.8178.9-58.80000111.8Q550 Q551 K552 R558Q550-T554 WeakPolarHBondContact O-CB 3.34Å; Q550-T554 PolarHBondContact O-N 2.92Å; Q550-T554 PolarHBondContact O-OG1 3.16Å; Q551-T554 PolarHBondContact O-N 3.11Å; K552-T554 VanDerWaalsContact C-N 3.28Å; K552-T554 PolarHBondContact O-N 3.28Å; T554-R558 VanDerWaalsContact O-CB 3.3Å; T554-R558 WeakPolarHBondContact O-CB 3.34Å; T554-R558 PolarHBondContact O-N 2.93Å
555I78.3Confident71.1Confident106 Ų106130.3 Ų130.354%0.54466%0.657SS.*Hα-helixtrans-66.2-41.9174-69.7165.8000110.7Q551 K552 R558 A559Q551-I555 HydrophobicContact CG-CD1 4.07Å; Q551-I555 WeakPolarHBondContact O-CB 3.43Å; Q551-I555 VanDerWaalsContact O-CG1 3.29Å; Q551-I555 WeakPolarHBondContact O-CG1 3.29Å; Q551-I555 PolarHBondContact O-N 3.21Å; K552-I555 PolarHBondContact O-N 3.35Å; I555-R558 PolarHBondContact O-N 3.25Å; I555-A559 WeakPolarHBondContact O-CB 3.42Å; I555-A559 PolarHBondContact O-N 3.28Å
556Q76Confident68.7Low127 Ų127132 Ų13259%0.59367%0.67SS**Hα-helixtrans-69.1-32.1178.9-170.9174.11.900113K552 H553 Q560K552-Q556 WeakPolarHBondContact O-CB 3.15Å; K552-Q556 PolarHBondContact O-N 3.15Å; H553-Q556 PolarHBondContact O-N 3.44Å; Q556-Q560 PolarHBondContact O-NE2 3.12Å
557M69.4Low66.8Low135 Ų135131.6 Ų131.667%0.66568%0.677SS**Hα-helixtrans-68.5-45.6168-73.3-71.6-72.600111.1H553 A559 Q560H553-M557 WeakPolarHBondContact O-CB 3.39Å; H553-M557 VanDerWaalsContact O-CG 3.27Å; H553-M557 WeakPolarHBondContact O-CG 3.4Å; H553-M557 PolarHBondContact O-N 3.09Å; M557-A559 VanDerWaalsContact C-N 3.28Å; M557-A559 PolarHBondContact O-N 2.91Å; M557-Q560 PolarHBondContact O-N 3.41Å
558R66.3Low64.4Low203 Ų203133.8 Ų133.877%0.76669%0.687SS**Hα-helixtrans-63.4-32.6179-170.4177.2-177.7112.11.4112.8T554 I555 Q560 M561T554-R558 VanDerWaalsContact O-CB 3.3Å; T554-R558 WeakPolarHBondContact O-CB 3.34Å; T554-R558 PolarHBondContact O-N 2.93Å; I555-R558 PolarHBondContact O-N 3.25Å; R558-Q560 PolarHBondContact O-N 2.97Å; R558-M561 PolarHBondContact O-N 2.74Å
559A62.8Low62.2Low82 Ų82133.4 Ų133.468%0.67870%0.698SS**THydrogen-bonded Turntrans-67.2-10.2177.800000114.5I555 M557I555-A559 WeakPolarHBondContact O-CB 3.42Å; I555-A559 PolarHBondContact O-N 3.28Å; M557-A559 VanDerWaalsContact C-N 3.28Å; M557-A559 PolarHBondContact O-N 2.91Å
560Q58.1Low59.8Low146 Ų146136 Ų13668%0.68271%0.709SS**THydrogen-bonded Turntrans-99.92.6178.8-70171.678.900113.5Q556 M557 R558Q556-Q560 PolarHBondContact O-NE2 3.12Å; M557-Q560 PolarHBondContact O-N 3.41Å; R558-Q560 PolarHBondContact O-N 2.97Å
561M53.3Low57.6Low147 Ų147138.5 Ų138.572%0.72472%0.723SS**SBendtrans-104.7132.5177.5-66.8-71.1-8200110.8R558R558-M561 PolarHBondContact O-N 2.74Å
562P48.6Very low55.4Low128 Ų128141.2 Ų141.283%0.83174%0.736SS**PPolyproline II helixtrans-69.4132.1-179.928.3-34.1000111.4
563A42.8Very low53Low103 Ų103138.7 Ų138.785%0.85174%0.739SS**PPolyproline II helixtrans-90.6129.7-175.700000112.8
564F40Very low50.9Low210 Ų210141 Ų14192%0.92175%0.754SS**PPolyproline II helixtrans-88.3156.7163-123.2-95.5000110.3
565S48.2Very low50.2Low98 Ų98142.2 Ų142.269%0.68576%0.763SS**  trans-124.3176.1-172.260.90000113.5
566L38.6Very low49.2Very low164 Ų164141.8 Ų141.886%0.85977%0.767SS**  trans93151.2-176.5-56.4169.2000115.7
567P49.3Very low47.2Very low123 Ų123142.8 Ų142.880%0.79978%0.777SS**  cis-131.4-176.4-40.137-21.2000113.6
568Y36.8Very low45.6Very low210 Ų210142 Ų14282%0.82478%0.78SS**  trans-84.4151.7-168.6-169-97.1000114.3
569A40.4Very low44Very low90 Ų90138.7 Ų138.774%0.74478%0.781SS**  trans-134.9149.1172.300000111.6
570Q37Very low42.6Very low174 Ų174138.4 Ų138.481%0.81379%0.787SS**  trans-71.8153.7-157-66.7161.6-83.600116.9
571M37.8Very low41.4Very low185 Ų185135.1 Ų135.191%0.91179%0.791SS**  trans-114.9161.5153.9-79.9-163.9160.400110.3
572Q36.8Very low40.6Very low172 Ų172134.9 Ų134.980%0.80480%0.798SS**  trans-141116.5-171.3-141.5165.17.800114.4
573S34.9Very low39.9Very low106 Ų106134.8 Ų134.874%0.74180%0.795SS**  trans45.593.4151.956.30000122.8
574L36.4Very low39.3Very low166 Ų166141 Ų14187%0.86980%0.798SS**  -15.2171.1123.5-69.3158.1000119
575P62.6Low39.2Very low112 Ų112138.7 Ų138.773%0.72779%0.79SS**  cis-128.3-130.3-14.335-11.5000110
576P56.8Low38.9Very low96 Ų96139.9 Ų139.962%0.62380%0.795SS**  cis-132.6-178.6-32.539.6-21.7000116.4
577N33.8Very low38.6Very low148 Ų148135.3 Ų135.379%0.79179%0.788SS**  trans61.7136.1153.3-64.7-9.4000122
578V35.5Very low37.7Very low120 Ų120133.1 Ų133.173%0.72779%0.788SS**  cis-154.3142.6-9.9116.80000111.9
579V33.8Very low38.1Very low133 Ų133129.1 Ų129.181%0.80679%0.787SS**  trans22.7101159.4-168.60000121
580G33.9Very low38.4Very low76 Ų76130.2 Ų130.278%0.78479%0.787SS**  47.9136.4104.100000123.5
581G32.9Very low38.1Very low76 Ų76127.4 Ų127.478%0.78479%0.786SS**  trans158.2140.5163.700000113.2
582V35.2Very low38Very low143 Ų143129.1 Ų129.187%0.86778%0.784SS**  trans-142.6144.5-177.3-168.40000110.5
583V33.7Very low38Very low125 Ų125126.6 Ų126.676%0.75878%0.783SS**  trans147.3112.6137.3166.50000114.7
584Y31.8Very low37.9Very low234 Ų234124.9 Ų124.992%0.91878%0.782SS**  trans68.5167.1148-89.1-104.2000124.8
585Q36.4Very low37.6Very low161 Ų161122.8 Ų122.875%0.75278%0.776SS**  trans-98.4173.3-155.7-143.9-155.433.300113.3
586P43.2Very low36.2Very low124 Ų124126.7 Ų126.781%0.80578%0.782SS**  -152.3156.577.739.4-19.8000118.9
587G31.6Very low35.1Very low68 Ų68126.9 Ų126.970%0.70179%0.785SS**  trans87.1138137.300000122.7
588G31.2Very low36Very low77 Ų77125.4 Ų125.479%0.79478%0.784SS**  trans114.9124.8152.600000118.7
589P44Very low35.7Very low125 Ų125124.8 Ų124.881%0.81279%0.792SS**  trans-114.2-164.6171.745.6-35.5000111.3
590P47.8Very low35.5Very low113 Ų113121.9 Ų121.973%0.73479%0.789SS**  cis-132.3173.7-8.842.1-27.1000115.1
591S30.7Very low35.3Very low115 Ų115123.9 Ų123.980%0.80479%0.79SS**  163.2150.4122.850.80000113.3
592Y34.6Very low35.4Very low221 Ų221125.7 Ų125.787%0.86779%0.786SS**  trans-118.3155.4165.2-111.5-84.9000107.6
593P36.7Very low35.3Very low119 Ų119127.8 Ų127.877%0.77379%0.786SS**  -132.8159.811436.8-29.5000113.6
594G32.4Very low35.1Very low70 Ų70125.2 Ų125.272%0.72279%0.785SS**  trans-81.7-177.9178.500000114.3
595T31Very low35.2Very low122 Ų122119.9 Ų119.975%0.74878%0.782SS**  trans-138.8161.6-176.853.60000111.8
596F32.2Very low35.9Very low195 Ų195117.2 Ų117.286%0.85578%0.779SS**  trans69133.7173.8-71.8-79.6000116
597S35.6Very low35.3Very low99 Ų99119.1 Ų119.169%0.69278%0.779SS**  cis-150.3-169.45.8-63.60000110.4
598P50.9Low35.3Very low117 Ų117122.7 Ų122.776%0.7678%0.777SS**  -133.2160.7-77.441.1-24.9000116.5
599A30Very low35.3Very low108 Ų108124.5 Ų124.589%0.89377%0.769SS**  trans43.9131.5143.500000123.8
600G30.6Very low34.5Very low72 Ų72125.5 Ų125.574%0.74276%0.764SS**  trans165.585.3153.100000117.6
601S29.8Very low33.6Very low117 Ų117129.6 Ų129.682%0.81877%0.766SS**  trans45.6141148.5-60.80000121.9
602V34.3Very low33.6Very low115 Ų115131.3 Ų131.370%0.69776%0.764SS**  cis-158.2167.5-3.8-99.70000109
603E32.2Very low33.3Very low186 Ų186127.1 Ų127.187%0.86976%0.756SS**  trans20133151.6-62.1159.7102.600120.6
604G30.6Very low32.8Very low71 Ų71129 Ų12973%0.73276%0.755SS**  cis-179.3-173.26.300000113.8
605S33.7Very low33.5Very low122 Ų122131 Ų13185%0.85376%0.755SS**  trans-159.8166.4-175.8-77.10000108.3
606P51.5Low33.4Very low106 Ų106128.5 Ų128.569%0.68875%0.753SS**  cis-133-162.134.828-0.2000112.5
607M31Very low33.3Very low164 Ų164128.8 Ų128.881%0.80876%0.757SS**  cis-158.6-172.230.3-80.4-67-164.400110
608H31.4Very low32.9Very low143 Ų143129.1 Ų129.166%0.66277%0.766SS**  175.8111.3-54.417891.4000111.5
609N29.8Very low32Very low115 Ų115128 Ų12862%0.61577%0.767SS**  trans62.2167.4163.2-75.7-21000119.5
610M28.2Very low32.5Very low145 Ų145129 Ų12971%0.71476%0.764SS**  cis-172.3166.4-33.1-166104.783.700109.2
611Y29.3Very low32.4Very low199 Ų199128.8 Ų128.878%0.7876%0.762SS**  trans80.9105.9164.7-87.5-98.1000123.8
612M30.6Very low32.3Very low152 Ų152132.2 Ų132.275%0.74977%0.765SS**  63.6116.1114.7-69.8-64.4-173.900126
613N28Very low32.1Very low132 Ų132137.2 Ų137.271%0.70677%0.773SS**  92.4126.2113.9-156.323.2000123.6
614Q26.6Very low32Very low160 Ų160137.4 Ų137.475%0.74877%0.774SS**  trans80.8167.4151-113-16291.400120.5
615P46.3Very low32.2Very low110 Ų110138.4 Ų138.471%0.71478%0.775SS**  -130174.8-104.144.2-28.9000116.9
616G28.5Very low32.2Very low70 Ų70141.1 Ų141.172%0.72278%0.777SS**  trans164.5111.2156.600000120.3
617Q30.3Very low32.8Very low201 Ų201141.5 Ų141.594%0.93978%0.779SS**  trans71.7151.6149.9-57-165.514.900123.3
618A27.8Very low34.2Very low107 Ų107139 Ų13988%0.88478%0.775SS**  trans77.8155.4164.900000119.7
619A32.4Very low34.1Very low93 Ų93136.4 Ų136.477%0.76978%0.778SS**  trans-129.8178.1-160.600000110.2
620P40.4Very low35.4Very low129 Ų129136.1 Ų136.184%0.83878%0.783SS**  cis-141.9174.916.242.7-23.6000118.7
621G28.4Very low35.4Very low68 Ų68136 Ų13670%0.70179%0.79SS**  trans8349.8154.200000117.7
622Q27.7Very low35.4Very low188 Ų188133.7 Ų133.788%0.87979%0.792SS**  83.4135.283.3-72.7-154.4-39.700116.3
623Y30Very low36.5Very low220 Ų220131.1 Ų131.186%0.86379%0.786SS**  trans-109.8-158.2-168.7-67.3-101.6000109.7
624Q30.3Very low36.8Very low191 Ų191131.6 Ų131.689%0.89379%0.789SS**  cis-163.4-159.617.6-149.6157.8-100111.9
625A34.1Very low37.1Very low92 Ų92131.6 Ų131.676%0.7679%0.791SS**  trans-109.6179.8-168.300000115
626M34.5Very low36.5Very low179 Ų179131.6 Ų131.688%0.88279%0.788SS**  trans-47.4165.3173.2-61.5-80.2-171.300115.5
627P62.3Low36.6Very low114 Ų114134.5 Ų134.574%0.7479%0.787SS**  cis-127.1-125.1-21.332.6-8.6000109
628P61.3Low36.6Very low110 Ų110128.7 Ų128.771%0.71477%0.774SS**  cis-132.5-171.8-36.737.4-17.9000115.7
629A29Very low36.7Very low89 Ų89133.7 Ų133.774%0.73677%0.772SS**  trans79.3-179.3151.500000118.2
630P56.5Low36.7Very low109 Ų109137.5 Ų137.571%0.70878%0.775SS**  -135.1-167.2-113.838.3-15.5000117.4
631T29.5Very low36.4Very low142 Ų142139.6 Ų139.687%0.87177%0.768SS**  trans91.2138.116252.90000122.4
632D28.2Very low36.6Very low151 Ų151143.1 Ų143.181%0.80777%0.766SS**  trans-60.5-177.2174.8-106.7-56.4000116.5
633P55.1Low38.2Very low98 Ų98139.4 Ų139.464%0.63676%0.758SS**  cis-141.5177.3-9.932.3-10.1000118.2
634N33.9Very low38.4Very low143 Ų143133.7 Ų133.777%0.76576%0.757SS**  trans88.9131.2135.4-103.6-31.2000126
635M33.4Very low38.6Very low160 Ų160128 Ų12879%0.78875%0.749SS**  trans92.9114.1132.7-94-156.7159.600126.9
636V32.1Very low38.7Very low109 Ų109130 Ų13066%0.66175%0.752SS**  trans66.5132.7141.3-98.40000128.4
637N30.7Very low38.6Very low131 Ų131129 Ų12970%0.70175%0.75SS**  trans69.5135.4138.2-82.2-15.5000124.4
638A30.2Very low37.1Very low80 Ų80126.3 Ų126.366%0.66174%0.743SS**  165.6108.6106.600000117.9
639Y30.9Very low35.8Very low212 Ų212129.8 Ų129.883%0.83175%0.75SS**  trans61.7-175.5142.1-48.8-59.2000123.6
640M32.1Very low37.2Very low172 Ų172130.4 Ų130.485%0.84775%0.747SS**  trans-141.1-154-153.7-59-17977.200112.7
641Y33.8Very low37.7Very low173 Ų173130.5 Ų130.568%0.67875%0.747SS**  cis-173.8132.924.1-168.9-113.5000114.9
642Q33.5Very low39.1Very low143 Ų143129.9 Ų129.967%0.66875%0.745SS**  trans60.5179.3153-94.5-163.75.300122.2
643P61.7Low39.5Very low110 Ų110126 Ų12671%0.71474%0.741SS**  cis-135.9162.9-2027.5-6.9000117.8
644A33.9Very low38.3Very low100 Ų100130.5 Ų130.583%0.82675%0.754SS**  trans-160.8150.2151.500000109.1
645G34.8Very low38.2Very low71 Ų71128.2 Ų128.273%0.73276%0.755SS**  cis98.3110-9.400000114.7
646T35.3Very low39.1Very low134 Ų134126.3 Ų126.382%0.82275%0.754SS**  cis-134.7-169.3-6.359.30000108
647N33.5Very low40.3Very low158 Ų158125.6 Ų125.685%0.84575%0.752SS**  cis-153.1-1758.3-143.5-0.1000107.2
648G29.6Very low40.5Very low58 Ų58125.7 Ų125.760%0.59876%0.757SS**  cis-179.2177.82.400000110
649Q34.4Very low40.5Very low182 Ų182128.2 Ų128.285%0.8577%0.765SS**  trans-156177.9-175.5-136.8-159.3700111.1
650P59.1Low40.4Very low103 Ų103123.3 Ų123.367%0.66976%0.761SS**  -138.6-97.36623.84.8000119.6
651P66.4Low41.6Very low110 Ų110120.5 Ų120.571%0.71476%0.756SS**  trans-123.6-163-146.443.4-23.1000113.4
652P59.5Low41.9Very low129 Ų129117.3 Ų117.384%0.83876%0.757SS**  cis-124.4-178.4-1141.8-26.9000113.6
653G34.7Very low41.5Very low70 Ų70121 Ų12172%0.72277%0.766SS**  cis177.7160.1-15.800000115.2
654Q31.6Very low40Very low193 Ų193120.4 Ų120.490%0.90277%0.765SS**  trans80.975.8165-52.4-167.614.700120.8
655A30.8Very low39.7Very low95 Ų95122.3 Ų122.379%0.78576%0.761SS**  45.6163.4103.200000122.5
656P53.4Low39.3Very low119 Ų119127.7 Ų127.777%0.77376%0.76SS**  cis-129.5-125.7-33.737.6-16.8000109.9
657P57Low39Very low95 Ų95128.3 Ų128.362%0.61775%0.754SS**  cis-126.3167.7-47.337.3-21.7000116.1
658T33.9Very low38.8Very low132 Ų132126.6 Ų126.681%0.8175%0.752SS**  trans61.7178.1156.4460000117.3
659T31.4Very low38.9Very low133 Ų133129.6 Ų129.682%0.81676%0.759SS**  cis-143.2-160.59.2-30.10000111.3
660S28.4Very low39.1Very low109 Ų109126.9 Ų126.976%0.76276%0.756SS**  trans-149.5-176.6-173.876.40000114
661P56.2Low37.6Very low114 Ų114127.8 Ų127.874%0.7476%0.761SS**  -118.1-151.7-124.237-12.9000112.5
662P40.8Very low35.9Very low106 Ų106131.2 Ų131.269%0.68877%0.767SS**  cis-145.4-167.31.344.9-23.7000118.3
663Y25.8Very low34.3Very low219 Ų219128 Ų12886%0.85975%0.751SS**  trans83.7146.8152.6-109.7-88.3000123.1
664S28.6Very low34Very low99 Ų99134.3 Ų134.369%0.69275%0.754SS**  trans66.6104.7157.7-83.80000124.5
665N27.6Very low34Very low139 Ų139131.8 Ų131.874%0.74374%0.743SS**  63.8145.7109.6-129.7-0.5000124.4
666Y28.2Very low34Very low184 Ų184133.2 Ų133.272%0.72274%0.737SS**  trans62.9101.2166.5-84.1-84.9000122.4
667Q28.3Very low32.8Very low147 Ų147133.4 Ų133.469%0.68774%0.736SS**  44.4123.4117.9-168.8176.8-1.300121.8
668P30.3Very low31.5Very low123 Ų123135.2 Ų135.280%0.79975%0.745SS**  trans-107.1149.9158.937.2-29000114
669T30.3Very low31.4Very low121 Ų121133.2 Ų133.274%0.74274%0.736SS**  trans-114160.1160.119.50000110
670P39.5Very low31.3Very low124 Ų124135.2 Ų135.281%0.80574%0.736SS**  trans-91.3161.1-151.335.3-38.4000115.9
671T27Very low31.4Very low123 Ų123134.1 Ų134.176%0.75573%0.734SS**  trans-145.7129.5176.132.70000114.2
672Q29.9Very low30.1Very low182 Ų182137.1 Ų137.185%0.8574%0.738SS**  trans67.1149.8133.6-59.5-67.9-20.100119.3
673A26.5Very low29.5Very low60 Ų60136.5 Ų136.550%0.49674%0.736SS.*  cis-147.4176-8.800000108.4
674Y28.4Very low29.6Very low203 Ų203133.6 Ų133.680%0.79673%0.734SS**  169.2148.686.5-95.6-90.3000106.7
675Q31.7Very low30.6Very low141 Ų141134.5 Ų134.566%0.65974%0.737SS**  cis-165.8162.7-1.6-149.2-177.7-6.500112.4
676N30.6Very low31.9Very low124 Ų124133 Ų13366%0.66374%0.735SS**  trans71.1127.7150.7-73.7-22.9000120.8
677V29.4Very low31.8Very low124 Ų124132.6 Ų132.675%0.75274%0.742SS**  cis-125-110.7-4.3-166.80000112.6
678V28.3Very low32Very low132 Ų132129.8 Ų129.880%0.874%0.738SS**  cis-144.8157.54.2-178.20000110.6
679S32.2Very low32Very low91 Ų91132.7 Ų132.764%0.63674%0.742SS**  trans-60.2158.1176.8-61.20000115.8
680Q30.2Very low31.9Very low175 Ų175131.5 Ų131.582%0.81874%0.744SS**  cis-167.3151-8.2-112.7175.61500110.9
681A29.8Very low31.5Very low86 Ų86130 Ų13071%0.71174%0.742SS**  trans56.2151.5144.300000121.2
682Q28.6Very low32.5Very low177 Ų177129.3 Ų129.383%0.82774%0.74SS**  cis-163.5152.1-4.7-123.2169.1-600111.7
683S29.2Very low32.5Very low92 Ų92126 Ų12664%0.64373%0.732SS**  trans34.3128.115446.40000123.2
684I28Very low32.7Very low159 Ų159131 Ų13182%0.81575%0.75SS**  77.6139.854-65.5167.2000112.6
685P48.6Very low32.7Very low117 Ų117125.1 Ų125.176%0.7675%0.751SS**  cis-132.4-138.65.332-4.4000115.2
686P54.4Low32.6Very low109 Ų109127.8 Ų127.871%0.70877%0.766SS**  -136.8-160.9-94.247.4-28.5000117.4
687M27.1Very low32.4Very low174 Ų174127.1 Ų127.186%0.85778%0.778SS**  trans102.9138.9172.5-62.9-68.4-161.800115.1
688S31.5Very low32.3Very low88 Ų88131.1 Ų131.162%0.61578%0.781SS**  cis-170.9137.2-14.851.60000112.8
689Q30.7Very low32.3Very low185 Ų185131.6 Ų131.686%0.86478%0.776SS**  trans62.7137.9165-56.1178.627.600116.6
690A29.1Very low31.9Very low95 Ų95132.9 Ų132.979%0.78579%0.785SS**  cis80.9133.434.600000114.3
691A30.4Very low31.7Very low93 Ų93134.6 Ų134.677%0.76979%0.786SS**  cis-154.8-133.9-11.200000112.7
692P48.2Very low31.6Very low109 Ų109138.1 Ų138.171%0.70879%0.787SS**  -139.2168.7-115.344.6-25.4000120.7
693T29.6Very low32.3Very low112 Ų112133.9 Ų133.969%0.68778%0.775SS**  trans58.9131.8140.652.20000126
694N31.5Very low32.3Very low164 Ų164139.7 Ų139.788%0.87779%0.785SS**  trans69.7139.3133.4-62.9-4.4000123.7
695G27.8Very low32.3Very low80 Ų80139.1 Ų139.183%0.82578%0.783SS**  trans174.5130.5161.800000114.9
696M29Very low31.4Very low198 Ų198140.6 Ų140.698%0.97578%0.782SS**  trans-99.5157-174.9-56.1173.7-74.300113.5
697A27.2Very low30.2Very low109 Ų109142.1 Ų142.190%0.90178%0.779SS**  trans-161.3176.7163.900000113.9
698Y26.7Very low30.4Very low209 Ų209139.2 Ų139.282%0.8277%0.767SS**  trans-153.7154.5-157.2-169.4-108.3000113.5
699M27.6Very low30.4Very low141 Ų141142.2 Ų142.270%0.69577%0.773SS**  trans62.3137.1163.6-88.7-76.4-170.900122.6
700S25.5Very low30.4Very low118 Ų118140.1 Ų140.183%0.82577%0.766SS**  trans172.1176.8130.644.90000112.6
701Y25.5Very low30.3Very low212 Ų212140.8 Ų140.883%0.83177%0.765SS**  trans-146.5137.6-160.2-129.4-107.5000113.8
702Q27.3Very low30.3Very low160 Ų160140.2 Ų140.275%0.74876%0.761SS**  trans62.6175.3158.3-77-73.6-46.700118.2
703P43.9Very low29.3Very low88 Ų88142.9 Ų142.957%0.57177%0.768SS**  cis-134.5-178.8-10.126.1-1.6000117.1
704Y28.2Very low29.9Very low214 Ų214143.4 Ų143.484%0.83977%0.774SS**  trans65.5161.8164.9-67.2-72.3000117.8
705N29.5Very low30Very low147 Ų147139 Ų13979%0.78677%0.768SS**  cis-142.6173.61.5-163.29.4000111.5
706M28Very low30.1Very low148 Ų148145.1 Ų145.173%0.72978%0.775SS**  trans-86.2166.8166.1-77.5-139.172.300113.8
707Q30.2Very low30.2Very low140 Ų140142.7 Ų142.765%0.65477%0.765SS**  trans124.4116.7130.6-148.170.261.100117.8
708N32.2Very low31.3Very low113 Ų113142.3 Ų142.360%0.60475%0.754SS**  trans68.3127.8146.6-779.7000125.1
709M31.1Very low31.5Very low151 Ų151138.5 Ų138.574%0.74475%0.748SS**  89.9118.9126.9-75.8178.2179.400123.3
710I29.6Very low31.7Very low141 Ų141140.3 Ų140.372%0.72376%0.756SS**  74.8118.7126.6-62.2170.6000120.2
711S27.7Very low32.1Very low109 Ų109139 Ų13976%0.76275%0.753SS**  trans6.9144.1140.3-39.80000119.4
712A29.8Very low33.4Very low82 Ų82134.6 Ų134.668%0.67875%0.75SS**  178.9147.558.100000115
713L27.6Very low33.4Very low165 Ų165135.6 Ų135.686%0.86476%0.755SS**  trans58.4174.7146.1-63.3168.7000119.8
714P42.4Very low32.6Very low122 Ų122139.2 Ų139.279%0.79276%0.764SS**  cis-112.9-175.2-36.525.1-4.1000110.6
715G33Very low33.3Very low73 Ų73133.8 Ų133.875%0.75376%0.755SS**  cis127.9117.7-2.100000112.9
716Q29.7Very low33.2Very low208 Ų208137.9 Ų137.997%0.97276%0.761SS**  trans-152.8149.7161-121.7173.832.700111.7
717D32.1Very low33.2Very low146 Ų146138.5 Ų138.578%0.78176%0.764SS**  trans-117.6-179.9-164.7-137.4-41.6000109N719D717-N719 PolarHBondContact OD1-N 3.09Å
718P49.9Very low33.8Very low102 Ų102137.8 Ų137.866%0.66277%0.772SS**  -150156.157.539.1-17.3000119.7
719N31.2Very low33.6Very low128 Ų128135.9 Ų135.968%0.68478%0.779SS**  trans77.4110.4151.7-68.2-35.8000118.3D717D717-N719 PolarHBondContact OD1-N 3.09Å
720M31.4Very low33.4Very low179 Ų179138 Ų13888%0.88279%0.787SS**  86.3138.373.4-88.2-162.9170.300113.8
721A34.7Very low33.9Very low90 Ų90140.6 Ų140.674%0.74480%0.796SS**  cis-152.1169.60.800000111.4
722P51.4Low34.7Very low121 Ų121140.4 Ų140.479%0.78679%0.792SS**  trans-120.9177.7-156.643.5-34.1000116.8
723Q28.2Very low34.5Very low181 Ų181143.9 Ų143.985%0.84680%0.796SS**  trans-163.8167.6139.5-102.1-54-8.200112.8
724Q27.2Very low34.6Very low164 Ų164146 Ų14677%0.76679%0.794SS**  trans-122-164.2-176.4-77.4-84.811.700110.8
725P43.4Very low34Very low99 Ų99147.5 Ų147.564%0.64379%0.791SS**  -123.2169.1-61.836.5-24.3000112.7
726Y26.2Very low33.9Very low233 Ų233152.1 Ų152.191%0.91479%0.793SS**  trans-162.5164.9152-134.1-102.3000114.1
727M28.3Very low33.9Very low162 Ų162149.3 Ų149.380%0.79879%0.79SS**  trans-142.3161.7179-75.9-89.6-167.600109
728P43.7Very low34.1Very low125 Ų125146.4 Ų146.481%0.81279%0.786SS**  cis-132.5168.9-29.539-24.2000113.6
729G26.1Very low34Very low73 Ų73147.3 Ų147.375%0.75379%0.791SS**  trans114.4168.1147.800000119.9
730Q28.1Very low35.3Very low194 Ų194147.3 Ų147.391%0.90780%0.798SS**  trans66.8130171.4-55.9-171.31000119.6
731Q39.8Very low35.1Very low196 Ų196142.9 Ų142.992%0.91680%0.799SS**  trans-97.9142.1162.3-71-175.6-26.800110.2
732P43.8Very low34.9Very low106 Ų106142.1 Ų142.169%0.68880%0.8SS**  trans-150142.6145.333.8-15.6000116.9
733M27.2Very low34.8Very low155 Ų155142.3 Ų142.376%0.76480%0.801SS**  trans62.7168.8155.4-55.8-63.9-175.500117.1
734Y29Very low36.1Very low208 Ų208138.8 Ų138.882%0.81679%0.794SS**  cis-134.31439.2-83.5-87.1000109
735Q28.5Very low36.4Very low154 Ų154138.8 Ų138.872%0.7279%0.794SS**  88.9135.765.5-160.759.947.800114.7
736Q32.9Very low35.9Very low171 Ų171141.4 Ų141.480%0.79980%0.797SS**  trans-88.2167.4-172-60.1168.7-2400114.7
737V28.8Very low36.1Very low149 Ų149138.1 Ų138.190%0.90379%0.79SS**  trans-138.8141.4156.7-156.60000110.4
738A35.4Very low36.2Very low85 Ų85139.1 Ų139.170%0.70279%0.793SS**  trans-124177171.800000109.7
739P48.9Very low35.5Very low120 Ų120141.9 Ų141.978%0.77980%0.795SS**  -160.3-153.293.644.5-23.9000112.8
740P57.6Low37.1Very low128 Ų128143.1 Ų143.183%0.83179%0.79SS**  cis-120.1177.8-29.824.7-3.1000113.3
741G28.4Very low37.3Very low86 Ų86142.4 Ų142.489%0.88779%0.786SS**  trans-157.1-39.6-177.600000122.2
742G30.5Very low37.1Very low74 Ų74137.3 Ų137.376%0.76378%0.778SS**  trans121.8176.5177.600000117.4
743P49.4Very low36.6Very low126 Ų126140.1 Ų140.182%0.81878%0.782SS**  trans-134.3-169.2-148.541.8-23.2000115.7
744P55Low36.9Very low106 Ų106139.4 Ų139.469%0.68878%0.777SS**  -138.8-169.2-5642-25.4000114.8
745Q32.7Very low37Very low165 Ų165137.9 Ų137.977%0.77178%0.777SS**  trans73.9153.2163-69.8-176.92500117.9
746Q33Very low37.2Very low153 Ų153138.5 Ų138.572%0.71578%0.782SS**  cis-145.6137-4.4-108.8163.454.300105.5
747Q30.7Very low38.3Very low165 Ų165135.6 Ų135.677%0.77178%0.778SS**  82.4101.351.3-160.1-170.25600115.9
748Q31.1Very low38.5Very low183 Ų183137.2 Ų137.286%0.85578%0.776SS**  trans173.5175.2130-93.4174.733.800115.5
749Q27.9Very low38.2Very low182 Ų182137.9 Ų137.985%0.8578%0.781SS**  trans-141.7-171.4-167.9-91.1-174-2900108.9
750P59.7Low37.6Very low99 Ų99139 Ų13964%0.64379%0.785SS**  -135.8-159.4-50.440-21.3000113.6
751Q33.1Very low37.2Very low179 Ų179139 Ų13984%0.83679%0.785SS**  trans88.1118.1146.2-85.3175.2-2400125.1
752A34.8Very low37.2Very low89 Ų89138.5 Ų138.574%0.73678%0.78SS**  89.8119.3115.500000126.2
753Q33Very low37.1Very low165 Ų165140.7 Ų140.777%0.77178%0.784SS**  84.8146.6126.7-101.2-171.511.900126.4
754Q35.1Very low36.3Very low141 Ų141138.9 Ų138.966%0.65978%0.779SS**  trans73.9153.2156.6-65.3174.54700118.4
755Q31.6Very low35.2Very low176 Ų176143.1 Ų143.182%0.82279%0.79SS**  cis-156.5-173.3-8-121172.126.300113.1
756M32.6Very low35.3Very low167 Ų167139.4 Ų139.482%0.82379%0.787SS**  trans-93.4179-178.6-130.2-164.8-65.800112.7
757P54.3Low35.5Very low109 Ų109140.7 Ų140.771%0.70879%0.793SS**  -156.6166.952.243.1-20.2000121.8
758Q34.4Very low35.6Very low184 Ų184140 Ų14086%0.8679%0.794SS**  trans30.6136.1143.5-64.1-178.4-35.600126.4
759A28.4Very low35.8Very low98 Ų98138.5 Ų138.581%0.8179%0.791SS**  trans-165.8148.8133.400000112.7
760V35.6Very low36.1Very low144 Ų144134.6 Ų134.687%0.87378%0.783SS**  trans-163.2179.4-178-74.40000109.7
761P50.1Low35.2Very low128 Ų128139.1 Ų139.183%0.83179%0.793SS**  cis-137.6-172.1-0.244.7-27000116.7
762G27.3Very low35.9Very low75 Ų75141.6 Ų141.677%0.77381%0.812SS**  trans105.2155.6157.800000117.1
763S30.4Very low36Very low121 Ų121144.3 Ų144.385%0.84682%0.816SS**  cis-168.7152.9-12.5-169.90000111.6
764A30.7Very low36.1Very low87 Ų87143.2 Ų143.272%0.71982%0.818SS**  trans60.5146.8174.800000117.8
765E32.9Very low36.2Very low196 Ų196143.3 Ų143.392%0.91683%0.827SS**  cis93.1136.814.1-68.3-157.6109.500120.2
766A34.5Very low36.4Very low87 Ų87141.4 Ų141.472%0.71983%0.827SS**  trans77.8108.3155.100000123.2
767Q38.1Very low36.7Very low180 Ų180139.8 Ų139.884%0.84183%0.828SS**  42.4131.3123-60.6176.7-20.100122.9
768L32.3Very low35.5Very low149 Ų149141.8 Ų141.878%0.7884%0.836SS**  177.2127.5119.1-109.284.3000108.2
769I35.2Very low35.6Very low153 Ų153138.8 Ų138.879%0.78583%0.834SS**  85.5131.976.1-74-175.9000115.9
770S34.3Very low36.1Very low99 Ų99141.9 Ų141.969%0.69284%0.836SS**  trans93.7123.8158.2-161.70000121.4
771F40.7Very low36.2Very low194 Ų194141.8 Ų141.885%0.85183%0.833SS**  trans1.7131.2147.8-59.9-93000120.2
772D47.7Very low34.9Very low232 Ų232143 Ų143100%1.24183%0.833SS**  -130.9085.8-152.4-106.9000108.9

Retrieved 772 of 772 residues in 374.3 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).